null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:23:04 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: ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.ins Phases from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi Native data from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.hkl Listing output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.lst Phases output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phs Poly-Ala trace output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 Allowed origin shift code: 8 59789 Reflections read from file ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi 59789 Reflections read from file ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.hkl 59789 Unique data, highest resolution = 1.701 Angstroms Anisotropic scaling: intensities multiplied by 0.000066h^2 +0.000066k^2 -0.000184l^2 +0.000000kl +0.000000hl +0.000066hk 51 Reflections with d > 1.901 and 0 in range 1.901 > d > 1.701 added Density sharpening factor set to 1.20 Fourier grid = 256 x 256 x 51 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.540 ** -f missing ?? ** = 0.211, Contrast = 0.050, Connect. = 0.559 for dens.mod. cycle 1 = 0.216, Contrast = 0.148, Connect. = 0.588 for dens.mod. cycle 2 = 0.229, Contrast = 0.259, Connect. = 0.661 for dens.mod. cycle 3 = 0.254, Contrast = 0.360, Connect. = 0.712 for dens.mod. cycle 4 = 0.282, Contrast = 0.437, Connect. = 0.739 for dens.mod. cycle 5 = 0.299, Contrast = 0.480, Connect. = 0.751 for dens.mod. cycle 6 = 0.299, Contrast = 0.513, Connect. = 0.760 for dens.mod. cycle 7 = 0.299, Contrast = 0.544, Connect. = 0.768 for dens.mod. cycle 8 = 0.299, Contrast = 0.569, Connect. = 0.775 for dens.mod. cycle 9 = 0.299, Contrast = 0.588, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3219 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 575 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 19.744 1.827 0.768 0.874 1.000 0.462 CA 1.234 B: 13 21.496 1.947 0.628 0.896 1.000 0.583 CA 1.402 14 residues pruned to eliminate duplicates C: 7 13.862 2.280 0.540 0.900 1.000 0.833 CB 1.151 D: 19 40.296 2.037 1.202 0.943 1.000 0.556 CA 1.467 E: 14 28.820 1.953 0.925 0.852 1.000 0.538 CA 1.573 13 residues pruned to eliminate duplicates F: 15 28.358 2.021 0.827 0.884 1.000 0.643 CA 1.483 14 residues pruned to eliminate duplicates G: 20 10.530 1.852 0.374 0.421 0.737 0.421 CB 1.400 10 residues pruned to eliminate duplicates H: 20 30.876 2.025 0.893 0.927 1.000 0.421 CA 1.295 19 residues pruned to eliminate duplicates I: 19 29.901 2.086 0.936 0.914 0.944 0.611 CA 1.307 20 residues pruned to eliminate duplicates J: 11 5.544 1.880 0.168 0.402 0.800 0.500 CA 1.107 K: 10 10.844 2.039 0.608 0.471 1.000 0.556 CA 1.136 6 residues pruned to eliminate duplicates L: 14 26.211 2.021 0.958 0.917 1.000 0.846 CA 1.297 M: 40 20.574 1.951 0.528 0.522 0.897 0.667 CB 1.205 N: 14 30.554 2.052 1.162 0.920 1.000 0.769 CB 1.345 14 residues pruned to eliminate duplicates O: 21 40.761 2.036 0.995 0.951 1.000 0.650 CB 1.547 21 residues pruned to eliminate duplicates P: 13 15.673 2.068 0.684 0.809 1.000 0.750 CB 0.993 Q: 13 14.870 1.891 0.271 0.896 1.000 0.917 CB 1.279 R: 14 23.947 1.996 0.953 0.875 1.000 0.769 CA 1.238 14 residues pruned to eliminate duplicates S: 16 4.848 1.677 0.115 0.335 0.867 0.467 CB 0.925 T: 10 7.801 1.773 0.441 0.371 1.000 0.667 CB 1.169 U: 30 22.982 2.021 0.653 0.519 0.931 0.448 CB 1.347 21 residues pruned to eliminate duplicates V: 15 15.703 1.823 0.727 0.847 0.929 0.786 CB 1.065 15 residues pruned to eliminate duplicates W: 6 3.371 1.638 -0.026 0.706 1.000 0.800 CA 0.784 X: 19 39.518 2.063 1.057 0.937 1.000 0.722 CB 1.527 19 residues pruned to eliminate duplicates Y: 7 4.289 2.042 0.095 0.318 1.000 0.833 CB 0.958 7 residues pruned to eliminate duplicates Z: 15 18.808 1.969 0.536 0.855 1.000 0.929 CB 1.227 15 residues pruned to eliminate duplicates Z: 14 4.898 1.744 -0.018 0.446 0.923 0.538 CB 0.908 14 residues pruned to eliminate duplicates Z: 9 11.308 2.067 0.275 0.890 1.000 0.875 CB 1.091 9 residues pruned to eliminate duplicates Z: 38 23.713 2.041 0.524 0.546 0.946 0.595 CB 1.266 28 residues pruned to eliminate duplicates Z: 14 18.881 1.767 0.700 0.864 1.000 0.846 CB 1.278 13 residues pruned to eliminate duplicates Z: 13 16.698 1.894 0.487 0.896 1.000 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 13 25.443 2.052 1.052 0.915 1.000 1.000 CA 1.232 13 residues pruned to eliminate duplicates Z: 31 23.162 1.885 0.775 0.608 1.000 0.600 CB 1.141 31 residues pruned to eliminate duplicates Z: 13 23.399 2.148 0.873 0.894 1.000 0.750 CB 1.205 13 residues pruned to eliminate duplicates Z: 11 10.006 1.617 0.472 0.593 1.000 0.700 C 1.217 Z: 13 25.403 1.980 1.190 0.870 1.000 0.500 CA 1.235 13 residues pruned to eliminate duplicates Z: 15 7.776 1.950 0.744 0.345 0.786 0.714 CB 0.920 15 residues pruned to eliminate duplicates Z: 12 8.780 1.642 0.459 0.406 0.909 0.727 CB 1.342 10 residues pruned to eliminate duplicates Z: 11 9.613 1.996 0.081 0.628 0.900 0.600 CB 1.387 Z: 13 12.193 1.884 0.574 0.914 1.000 0.917 CB 0.840 13 residues pruned to eliminate duplicates Z: 15 23.198 1.984 0.721 0.891 1.000 0.929 CA 1.305 14 residues pruned to eliminate duplicates Z: 51 26.868 2.056 0.637 0.544 0.900 0.580 CB 1.202 38 residues pruned to eliminate duplicates Z: 13 24.083 2.103 0.717 0.919 1.000 0.833 CA 1.357 13 residues pruned to eliminate duplicates Z: 36 21.341 1.988 0.686 0.500 0.857 0.429 CB 1.256 36 residues pruned to eliminate duplicates Z: 7 9.344 1.737 0.630 0.718 1.000 0.833 CA 1.107 Z: 41 24.878 1.963 0.723 0.537 0.925 0.650 CB 1.212 40 residues pruned to eliminate duplicates Z: 8 8.175 1.580 0.344 0.801 1.000 0.571 CB 1.119 Z: 15 7.978 1.897 0.261 0.353 0.786 0.429 CB 1.330 Z: 13 17.676 2.051 0.575 0.869 1.000 0.667 CB 1.154 13 residues pruned to eliminate duplicates Z: 15 21.885 1.763 1.215 0.879 0.929 0.571 CB 1.169 Z: 19 39.318 2.077 1.243 0.938 0.944 0.667 CA 1.465 19 residues pruned to eliminate duplicates Z: 16 30.382 1.908 1.242 0.880 0.867 0.600 CA 1.533 16 residues pruned to eliminate duplicates Z: 16 15.436 1.947 0.544 0.777 1.000 0.667 CB 1.038 16 residues pruned to eliminate duplicates Z: 36 28.226 2.049 0.828 0.529 0.914 0.600 CB 1.354 36 residues pruned to eliminate duplicates Z: 32 23.945 1.946 0.865 0.588 0.935 0.452 CB 1.165 32 residues pruned to eliminate duplicates Z: 15 17.026 1.780 0.836 0.864 1.000 0.857 CB 1.021 15 residues pruned to eliminate duplicates Z: 36 28.746 2.004 0.825 0.569 0.914 0.514 CB 1.359 25 residues pruned to eliminate duplicates Z: 10 6.781 1.777 0.407 0.316 1.000 0.778 CB 1.107 9 residues pruned to eliminate duplicates Z: 11 7.977 1.827 0.638 0.417 0.900 0.400 CB 1.021 11 residues pruned to eliminate duplicates Z: 7 5.958 1.974 0.019 0.837 1.000 0.833 CB 0.905 7 residues pruned to eliminate duplicates Z: 12 10.238 1.684 0.292 0.493 1.000 0.455 CB 1.429 11 residues pruned to eliminate duplicates Z: 18 9.352 1.735 0.774 0.395 0.824 0.588 CB 1.000 Z: 12 16.292 1.913 0.775 0.922 0.909 0.818 CB 1.119 12 residues pruned to eliminate duplicates Z: 13 19.096 1.889 0.726 0.903 1.000 0.917 CB 1.205 13 residues pruned to eliminate duplicates Z: 11 19.329 2.078 0.507 0.925 1.000 0.800 CA 1.370 11 residues pruned to eliminate duplicates Z: 8 15.972 2.039 1.345 0.624 0.857 0.714 CB 1.311 8 residues pruned to eliminate duplicates Z: 14 16.409 1.748 0.412 0.897 1.000 0.923 CA 1.320 14 residues pruned to eliminate duplicates Z: 13 18.385 1.820 0.849 0.879 0.917 0.583 CB 1.249 13 residues pruned to eliminate duplicates Z: 19 15.748 1.803 0.880 0.906 0.944 0.500 CB 0.825 Z: 20 25.223 1.932 0.853 0.794 1.000 0.632 CB 1.248 22 residues pruned to eliminate duplicates Z: 14 20.241 1.820 0.585 0.901 1.000 0.846 CA 1.389 14 residues pruned to eliminate duplicates Z: 21 12.423 1.909 0.779 0.404 0.750 0.600 CA 1.206 21 residues pruned to eliminate duplicates Z: 7 5.218 1.507 0.077 0.868 1.000 1.000 CA 0.960 7 residues pruned to eliminate duplicates Z: 16 8.354 1.904 0.110 0.378 0.867 0.467 CB 1.342 15 residues pruned to eliminate duplicates Z: 19 16.759 1.861 0.650 0.880 0.889 0.778 CB 1.049 19 residues pruned to eliminate duplicates Z: 10 7.198 1.970 0.171 0.421 0.889 0.444 CB 1.270 Z: 15 29.891 1.989 1.306 0.887 0.857 0.714 CA 1.465 15 residues pruned to eliminate duplicates Z: 14 12.493 1.974 0.095 0.835 0.846 0.769 CA 1.419 14 residues pruned to eliminate duplicates Z: 20 13.317 1.829 0.386 0.414 0.895 0.474 CB 1.474 20 residues pruned to eliminate duplicates Z: 14 20.054 1.976 0.848 0.851 1.000 0.692 CB 1.127 14 residues pruned to eliminate duplicates Z: 13 26.728 2.069 1.106 0.903 1.000 0.917 CA 1.263 13 residues pruned to eliminate duplicates Z: 35 31.997 2.039 0.829 0.701 0.912 0.706 CB 1.344 35 residues pruned to eliminate duplicates Z: 8 7.640 2.080 0.641 0.348 0.714 0.571 CB 1.396 8 residues pruned to eliminate duplicates Z: 9 8.688 2.101 0.498 0.345 0.875 0.500 CB 1.321 9 residues pruned to eliminate duplicates Z: 6 9.837 1.754 0.482 0.732 1.000 0.800 CB 1.375 5 residues pruned to eliminate duplicates Z: 19 24.658 2.081 0.605 0.897 0.944 0.889 CA 1.319 19 residues pruned to eliminate duplicates Z: 14 28.471 1.944 1.415 0.902 1.000 0.538 CA 1.200 14 residues pruned to eliminate duplicates Z: 18 20.059 1.838 0.947 0.864 1.000 0.412 CB 0.996 17 residues pruned to eliminate duplicates Z: 31 16.840 1.961 0.521 0.512 0.867 0.467 CB 1.176 31 residues pruned to eliminate duplicates Z: 9 4.666 1.637 0.424 0.369 0.625 0.500 O 1.303 9 residues pruned to eliminate duplicates Z: 15 21.206 1.755 0.990 0.913 1.000 0.500 CB 1.149 15 residues pruned to eliminate duplicates Z: 10 11.535 1.575 0.560 0.851 1.000 0.667 CA 1.159 6 residues pruned to eliminate duplicates Z: 8 5.899 1.601 0.643 0.704 0.857 0.857 CB 0.822 Z: 13 20.820 2.043 0.626 0.888 1.000 0.833 CB 1.303 13 residues pruned to eliminate duplicates Z: 12 13.898 1.829 0.764 0.924 1.000 0.455 CB 0.912 12 residues pruned to eliminate duplicates Z: 15 16.289 1.925 0.612 0.804 1.000 0.500 CB 1.075 15 residues pruned to eliminate duplicates Z: 11 7.903 1.875 0.353 0.391 0.800 0.500 CB 1.382 10 residues pruned to eliminate duplicates Z: 6 4.646 1.627 0.111 0.821 1.000 0.800 CB 0.870 6 residues pruned to eliminate duplicates Z: 20 30.141 2.018 0.722 0.927 1.000 0.842 CA 1.394 20 residues pruned to eliminate duplicates Z: 18 20.364 1.917 0.617 0.953 1.000 0.941 CB 1.096 20 residues pruned to eliminate duplicates Z: 13 8.557 1.585 0.633 0.449 0.750 0.333 CB 1.341 Z: 14 24.135 2.084 0.901 0.911 1.000 0.538 CB 1.197 14 residues pruned to eliminate duplicates Z: 15 15.680 1.743 0.611 0.826 0.929 0.929 CB 1.212 15 residues pruned to eliminate duplicates Z: 9 8.145 1.813 0.709 0.408 0.875 0.750 CB 1.169 9 residues pruned to eliminate duplicates Z: 13 7.154 1.760 0.665 0.229 0.750 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 13 16.658 1.885 0.662 0.920 1.000 1.000 CB 1.081 13 residues pruned to eliminate duplicates Z: 8 8.174 1.995 0.325 0.454 0.857 0.714 CB 1.429 8 residues pruned to eliminate duplicates Z: 10 10.372 1.928 0.343 0.656 0.889 0.667 CB 1.299 10 residues pruned to eliminate duplicates Z: 6 7.701 1.710 0.833 0.582 0.800 0.600 CB 1.269 6 residues pruned to eliminate duplicates Z: 12 28.694 2.142 1.219 0.890 0.909 0.636 CA 1.440 12 residues pruned to eliminate duplicates Z: 12 11.825 2.034 0.242 0.846 1.000 0.818 CB 1.048 12 residues pruned to eliminate duplicates Z: 7 9.210 1.893 0.078 0.882 1.000 1.000 CB 1.333 Z: 15 22.197 1.898 0.681 0.897 1.000 0.857 CA 1.331 15 residues pruned to eliminate duplicates Z: 18 23.552 1.926 0.852 0.929 1.000 0.588 CB 1.121 18 residues pruned to eliminate duplicates Z: 32 36.608 2.090 0.830 0.717 1.000 0.516 CA 1.413 35 residues pruned to eliminate duplicates Z: 11 17.171 1.967 0.456 0.920 1.000 1.000 CB 1.336 11 residues pruned to eliminate duplicates Z: 9 12.674 1.747 0.571 0.863 0.875 0.500 CB 1.369 9 residues pruned to eliminate duplicates Z: 15 24.801 1.899 0.954 0.900 0.929 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 8 12.922 1.857 0.325 0.843 1.000 1.000 CB 1.479 10 residues pruned to eliminate duplicates Z: 7 3.609 1.471 0.596 0.499 0.833 0.833 CB 0.754 7 residues pruned to eliminate duplicates Z: 28 21.755 1.991 0.642 0.579 0.889 0.444 CB 1.335 28 residues pruned to eliminate duplicates Z: 16 20.169 1.973 0.389 0.852 1.000 0.733 CA 1.406 16 residues pruned to eliminate duplicates Z: 12 11.500 1.892 0.510 0.911 1.000 0.455 CB 0.860 12 residues pruned to eliminate duplicates Z: 15 15.121 2.014 0.392 0.814 1.000 0.714 CB 1.097 15 residues pruned to eliminate duplicates Z: 11 14.757 1.802 0.458 0.917 1.000 0.900 CB 1.253 11 residues pruned to eliminate duplicates Z: 9 5.914 1.898 0.363 0.367 0.750 0.625 CB 1.243 9 residues pruned to eliminate duplicates Z: 8 3.031 1.521 -0.092 0.395 1.000 0.571 CB 0.928 Z: 27 24.727 2.012 0.716 0.617 1.000 0.538 CB 1.258 27 residues pruned to eliminate duplicates Z: 18 12.185 1.797 0.724 0.467 0.824 0.529 CB 1.198 8 residues pruned to eliminate duplicates Z: 6 5.763 1.598 -0.053 0.861 1.000 0.800 N 1.251 7 residues pruned to eliminate duplicates Z: 12 14.492 1.788 0.528 0.881 0.909 0.909 CB 1.274 12 residues pruned to eliminate duplicates Z: 18 20.879 1.911 0.697 0.914 1.000 0.824 CB 1.105 18 residues pruned to eliminate duplicates Z: 13 21.627 2.043 0.750 0.887 1.000 1.000 CA 1.259 13 residues pruned to eliminate duplicates Z: 6 2.645 1.434 0.236 0.409 0.800 0.400 CB 0.918 Z: 13 15.529 1.821 0.470 0.832 1.000 0.750 CB 1.258 13 residues pruned to eliminate duplicates Z: 11 9.041 1.604 0.219 0.868 0.900 0.800 CA 1.187 11 residues pruned to eliminate duplicates Z: 12 13.449 1.693 1.103 0.801 0.909 0.636 CA 0.963 Z: 10 9.228 1.966 0.898 0.536 0.778 0.556 CB 1.023 Z: 21 28.396 1.985 0.726 0.921 1.000 0.900 CA 1.304 21 residues pruned to eliminate duplicates Z: 14 19.915 2.046 0.781 0.925 1.000 0.538 CB 1.064 14 residues pruned to eliminate duplicates Z: 12 12.348 1.804 0.931 0.462 1.000 0.636 CB 1.111 11 residues pruned to eliminate duplicates Z: 12 13.568 1.822 0.319 0.927 1.000 1.000 CB 1.194 12 residues pruned to eliminate duplicates Z: 12 9.272 1.865 0.653 0.375 1.000 0.636 CB 1.036 12 residues pruned to eliminate duplicates Z: 15 24.581 2.021 1.040 0.859 1.000 0.714 CB 1.172 15 residues pruned to eliminate duplicates Z: 8 2.913 1.780 0.046 0.272 0.857 0.429 CB 0.893 8 residues pruned to eliminate duplicates Z: 15 12.967 1.743 0.534 0.887 0.929 0.643 CA 1.006 15 residues pruned to eliminate duplicates Z: 13 18.842 1.915 0.793 0.942 1.000 0.833 CB 1.098 13 residues pruned to eliminate duplicates Z: 6 3.290 1.533 0.476 0.556 0.800 0.600 CB 0.769 Z: 17 8.086 1.598 0.536 0.328 0.875 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 15 13.105 1.719 0.535 0.846 1.000 0.643 CB 0.986 15 residues pruned to eliminate duplicates Z: 13 13.781 1.890 0.328 0.907 1.000 0.833 CB 1.126 13 residues pruned to eliminate duplicates Z: 9 10.514 1.636 0.340 0.887 1.000 0.625 CA 1.223 9 residues pruned to eliminate duplicates Z: 6 3.764 1.571 0.303 0.820 1.000 1.000 CB 0.623 Z: 13 31.170 2.050 1.429 0.870 0.917 0.500 CA 1.439 13 residues pruned to eliminate duplicates Z: 43 19.703 1.969 0.594 0.455 0.833 0.524 CB 1.216 43 residues pruned to eliminate duplicates Z: 57 28.234 1.884 0.684 0.501 0.875 0.625 CB 1.357 36 residues pruned to eliminate duplicates Z: 7 6.915 1.780 0.190 0.900 1.000 0.667 CB 0.952 6 residues pruned to eliminate duplicates Z: 14 8.202 1.793 0.395 0.454 0.846 0.615 CB 1.126 13 residues pruned to eliminate duplicates 6 1.802 1.564 0.147 0.507 0.800 0.600 CB 0.558 ? Z: 12 10.143 1.883 0.490 0.918 1.000 0.818 CA 0.769 12 residues pruned to eliminate duplicates Z: 6 5.541 1.861 0.352 0.893 1.000 0.600 CA 0.707 6 residues pruned to eliminate duplicates Z: 19 39.115 2.054 1.240 0.928 0.944 0.444 CA 1.486 19 residues pruned to eliminate duplicates Z: 14 22.577 1.992 0.584 0.881 1.000 0.846 CA 1.438 14 residues pruned to eliminate duplicates Z: 6 4.369 1.513 0.805 0.300 0.800 0.400 C 1.118 Z: 8 6.631 1.658 0.080 0.613 1.000 0.714 CB 1.257 15 residues pruned to eliminate duplicates Z: 11 11.055 1.780 0.743 0.925 0.900 0.600 CA 0.879 11 residues pruned to eliminate duplicates Z: 14 9.930 1.922 0.556 0.372 0.692 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 8 7.112 1.646 0.664 0.769 1.000 0.857 CB 0.773 8 residues pruned to eliminate duplicates Z: 18 8.640 1.805 0.558 0.406 0.824 0.647 CB 0.998 18 residues pruned to eliminate duplicates Z: 16 9.210 1.788 0.370 0.694 0.933 0.533 CA 0.871 16 residues pruned to eliminate duplicates Z: 7 11.331 1.655 1.342 0.757 1.000 0.667 CB 0.949 7 residues pruned to eliminate duplicates Z: 9 4.133 1.615 0.159 0.480 0.750 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 8 4.581 1.519 0.788 0.284 0.714 0.571 CB 1.138 4 residues pruned to eliminate duplicates Z: 15 17.263 1.785 0.686 0.878 1.000 1.000 CB 1.112 15 residues pruned to eliminate duplicates Z: 6 6.726 1.665 0.490 0.850 1.000 1.000 CA 0.898 5 residues pruned to eliminate duplicates Z: 10 21.616 2.135 1.121 0.627 1.000 0.778 CB 1.412 10 residues pruned to eliminate duplicates Z: 8 5.340 1.704 0.460 0.535 0.714 0.571 C 1.097 8 residues pruned to eliminate duplicates Z: 7 4.455 1.580 0.506 0.368 0.833 0.667 CA 1.056 7 residues pruned to eliminate duplicates Z: 11 10.692 1.872 0.568 0.495 0.900 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 14 6.015 1.688 0.352 0.603 0.769 0.462 CB 0.862 14 residues pruned to eliminate duplicates Z: 6 6.147 1.540 0.114 0.867 1.000 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 9 7.438 1.424 0.285 0.795 1.000 0.625 CA 1.110 Z: 16 9.102 1.797 0.376 0.510 1.000 0.667 CB 0.941 16 residues pruned to eliminate duplicates Z: 12 16.954 1.849 0.614 0.883 1.000 0.909 CB 1.239 12 residues pruned to eliminate duplicates Z: 10 6.562 1.667 0.684 0.663 0.778 0.444 CB 0.862 10 residues pruned to eliminate duplicates Z: 7 3.324 1.408 0.777 0.464 0.667 0.500 CB 0.844 7 residues pruned to eliminate duplicates Z: 6 2.764 1.300 0.272 0.478 1.000 0.600 N 0.763 Z: 12 17.370 2.016 0.440 0.877 1.000 0.909 CA 1.310 12 residues pruned to eliminate duplicates Z: 7 6.108 1.758 0.210 0.826 0.833 0.500 CA 1.061 7 residues pruned to eliminate duplicates Z: 12 13.481 1.769 0.555 0.829 0.909 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 7 2.426 1.292 0.219 0.334 0.833 0.667 CB 0.905 Z: 18 9.277 1.941 0.327 0.457 0.882 0.353 CB 1.035 18 residues pruned to eliminate duplicates Z: 13 14.834 1.803 0.683 0.900 1.000 0.750 CB 1.008 13 residues pruned to eliminate duplicates Z: 11 10.266 1.917 0.552 0.376 1.000 0.500 CA 1.246 11 residues pruned to eliminate duplicates Z: 29 17.769 1.852 0.680 0.589 0.964 0.714 CB 1.028 29 residues pruned to eliminate duplicates Z: 20 25.373 2.005 0.474 0.937 1.000 0.947 CA 1.371 20 residues pruned to eliminate duplicates Z: 11 11.544 1.814 0.569 0.868 0.900 0.500 CB 1.042 11 residues pruned to eliminate duplicates Z: 14 10.062 1.968 0.525 0.388 0.769 0.615 CB 1.361 15 residues pruned to eliminate duplicates Z: 19 19.504 1.832 0.836 0.944 1.000 0.778 CB 0.947 18 residues pruned to eliminate duplicates Z: 20 13.793 1.817 0.566 0.486 0.842 0.421 CA 1.340 20 residues pruned to eliminate duplicates Z: 12 12.858 1.776 0.532 0.923 0.909 0.818 CB 1.102 12 residues pruned to eliminate duplicates Z: 21 13.491 1.897 0.456 0.406 0.900 0.550 CB 1.340 21 residues pruned to eliminate duplicates Z: 12 17.240 1.952 0.636 0.883 1.000 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 13 6.322 1.353 0.644 0.844 0.917 0.750 CB 0.666 Z: 7 5.353 1.645 0.250 0.440 1.000 0.500 CB 1.131 Z: 6 3.276 1.557 -0.144 0.555 1.000 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 10 12.465 1.918 0.723 0.570 0.889 0.667 CB 1.321 10 residues pruned to eliminate duplicates Z: 47 30.824 2.054 0.713 0.611 0.913 0.652 CB 1.273 47 residues pruned to eliminate duplicates Z: 24 17.893 1.892 0.630 0.648 0.913 0.609 CB 1.154 22 residues pruned to eliminate duplicates Z: 14 14.873 1.731 0.703 0.861 0.923 0.538 CA 1.114 14 residues pruned to eliminate duplicates Z: 51 25.756 1.912 0.755 0.482 0.920 0.460 CB 1.202 58 residues pruned to eliminate duplicates Z: 16 8.165 1.642 0.156 0.783 0.933 0.600 CA 0.928 16 residues pruned to eliminate duplicates Z: 6 2.169 1.410 0.638 0.295 0.600 0.600 N 0.881 Z: 13 17.517 1.902 0.587 0.880 1.000 0.750 CB 1.214 13 residues pruned to eliminate duplicates Z: 13 12.464 1.782 0.573 0.525 0.917 0.667 CA 1.366 13 residues pruned to eliminate duplicates Z: 15 22.942 1.946 0.604 0.843 1.000 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 12 5.742 1.574 0.621 0.341 1.000 0.636 CA 0.807 12 residues pruned to eliminate duplicates Z: 10 13.278 2.056 0.430 0.920 1.000 0.778 CB 1.061 10 residues pruned to eliminate duplicates Z: 6 6.427 1.669 0.068 0.846 1.000 0.800 CB 1.198 6 residues pruned to eliminate duplicates Z: 7 3.561 1.647 0.565 0.189 0.833 0.500 CB 0.982 Z: 14 29.080 1.964 1.229 0.868 1.000 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 50 31.954 1.992 0.736 0.598 0.918 0.531 CB 1.309 52 residues pruned to eliminate duplicates Z: 6 4.780 1.549 0.059 0.869 1.000 1.000 CB 0.951 6 residues pruned to eliminate duplicates Z: 19 18.062 1.980 0.720 0.475 0.889 0.611 CB 1.442 19 residues pruned to eliminate duplicates Z: 11 13.398 1.888 0.446 0.864 0.900 0.500 CA 1.264 11 residues pruned to eliminate duplicates Z: 10 10.974 1.810 0.321 0.712 1.000 1.000 CA 1.263 9 residues pruned to eliminate duplicates Z: 9 7.096 1.687 0.432 0.473 0.875 0.500 CA 1.220 9 residues pruned to eliminate duplicates Z: 8 4.898 1.611 0.459 0.309 1.000 0.714 CB 0.973 8 residues pruned to eliminate duplicates Z: 6 2.880 1.253 0.214 0.382 1.000 0.600 O 0.960 Z: 23 27.339 2.009 0.897 0.756 1.000 0.636 CA 1.217 23 residues pruned to eliminate duplicates Z: 33 19.896 1.891 0.527 0.533 0.875 0.500 CB 1.348 33 residues pruned to eliminate duplicates Z: 37 31.457 1.953 0.862 0.675 0.917 0.500 CA 1.338 37 residues pruned to eliminate duplicates Z: 8 2.164 1.461 0.538 0.331 0.714 0.714 CB 0.613 8 residues pruned to eliminate duplicates Z: 6 7.054 1.824 -0.104 0.890 1.000 1.000 CB 1.388 6 residues pruned to eliminate duplicates Z: 26 19.472 1.860 0.720 0.467 0.880 0.520 CB 1.430 26 residues pruned to eliminate duplicates Z: 9 5.429 1.480 0.211 0.430 1.000 0.500 O 1.152 9 residues pruned to eliminate duplicates Z: 10 13.512 1.834 1.212 0.506 1.000 0.667 CB 1.104 10 residues pruned to eliminate duplicates Z: 6 8.799 1.597 0.418 0.889 1.000 1.000 N 1.251 6 residues pruned to eliminate duplicates Z: 8 11.478 1.786 0.644 0.813 1.000 0.714 CA 1.125 8 residues pruned to eliminate duplicates Z: 12 10.736 1.865 0.652 0.506 0.909 0.636 CA 1.149 11 residues pruned to eliminate duplicates Z: 15 16.211 1.943 0.702 0.906 1.000 0.571 CB 0.932 15 residues pruned to eliminate duplicates Z: 6 3.953 1.240 0.554 0.518 1.000 0.600 CB 0.901 6 1.670 1.022 0.092 0.779 0.800 0.600 CB 0.654 ? Z: 43 33.382 1.990 0.832 0.625 0.929 0.452 CA 1.352 43 residues pruned to eliminate duplicates Z: 7 2.544 1.428 0.242 0.450 0.833 0.667 CB 0.740 Z: 6 4.090 1.441 0.737 0.874 1.000 0.800 CB 0.532 6 residues pruned to eliminate duplicates Z: 7 14.957 1.881 0.746 0.877 1.000 1.000 CA 1.350 8 residues pruned to eliminate duplicates Z: 10 7.772 1.722 0.286 0.542 0.889 0.444 CB 1.264 10 residues pruned to eliminate duplicates Z: 12 14.726 1.954 0.791 0.362 0.909 0.455 CB 1.618 12 residues pruned to eliminate duplicates Z: 7 6.056 1.833 0.581 0.814 0.833 0.333 CB 0.779 7 residues pruned to eliminate duplicates Z: 7 9.054 1.863 0.722 0.534 0.833 0.667 CA 1.338 7 residues pruned to eliminate duplicates Z: 49 25.943 2.055 0.539 0.505 0.958 0.562 CB 1.230 49 residues pruned to eliminate duplicates Z: 23 10.217 1.911 0.422 0.526 0.773 0.500 CB 1.011 23 residues pruned to eliminate duplicates Z: 14 18.419 1.917 0.905 0.744 1.000 0.615 CB 1.124 24 residues pruned to eliminate duplicates Z: 31 26.373 1.999 0.617 0.560 0.967 0.633 CB 1.453 31 residues pruned to eliminate duplicates Z: 6 7.461 1.407 0.730 0.611 1.000 0.400 N 1.233 Z: 41 23.337 2.086 0.542 0.502 0.925 0.475 CB 1.238 41 residues pruned to eliminate duplicates Z: 7 2.701 1.608 0.674 0.400 0.667 0.500 CB 0.683 Z: 23 15.239 2.077 0.656 0.438 0.864 0.636 CB 1.165 23 residues pruned to eliminate duplicates Z: 12 6.407 1.877 0.455 0.347 0.818 0.545 CA 1.020 12 residues pruned to eliminate duplicates Z: 9 6.168 1.474 0.023 0.884 1.000 1.000 CB 1.045 9 residues pruned to eliminate duplicates Z: 10 7.349 1.815 0.240 0.851 1.000 0.778 CA 0.805 10 residues pruned to eliminate duplicates Z: 16 13.936 1.819 0.550 0.627 1.000 0.733 CB 1.132 14 residues pruned to eliminate duplicates Z: 16 11.571 1.866 0.648 0.410 0.800 0.400 CB 1.335 16 residues pruned to eliminate duplicates Z: 18 12.959 1.767 0.789 0.518 0.882 0.647 CB 1.107 19 residues pruned to eliminate duplicates Z: 8 4.250 1.524 0.417 0.823 0.714 0.571 CB 0.787 8 residues pruned to eliminate duplicates Z: 6 5.705 1.808 0.530 0.878 1.000 0.600 CB 0.670 6 residues pruned to eliminate duplicates Z: 14 12.832 1.817 0.703 0.901 0.923 0.769 CB 0.889 14 residues pruned to eliminate duplicates Z: 14 21.001 1.904 1.086 0.929 1.000 0.615 CB 1.026 14 residues pruned to eliminate duplicates Z: 12 11.408 1.837 0.701 0.916 1.000 0.545 CA 0.777 12 residues pruned to eliminate duplicates Z: 14 8.585 1.824 0.290 0.466 0.769 0.538 CA 1.361 15 residues pruned to eliminate duplicates Z: 7 9.280 1.740 0.740 0.717 0.833 0.667 CA 1.234 7 residues pruned to eliminate duplicates Z: 13 17.396 1.800 0.626 0.896 1.000 0.917 CB 1.229 13 residues pruned to eliminate duplicates Z: 10 8.744 1.790 0.105 0.784 0.889 0.667 CA 1.292 10 residues pruned to eliminate duplicates Z: 7 2.962 1.349 0.265 0.356 0.833 0.500 CB 0.993 Z: 12 5.339 1.660 0.185 0.406 0.909 0.636 CB 0.993 12 residues pruned to eliminate duplicates Z: 7 2.342 1.324 0.161 0.501 0.833 0.667 N 0.745 Z: 10 4.759 1.601 0.348 0.400 0.778 0.556 CA 1.049 10 residues pruned to eliminate duplicates Z: 13 13.621 2.063 0.640 0.598 0.750 0.750 CA 1.411 13 residues pruned to eliminate duplicates Z: 6 11.218 1.906 0.600 0.813 1.000 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 6 2.150 1.363 0.561 0.141 0.800 0.400 N 0.882 Z: 9 6.476 1.821 0.151 0.482 0.875 0.750 CA 1.271 9 residues pruned to eliminate duplicates Z: 6 2.747 1.298 0.387 0.468 0.800 0.800 O 0.881 Z: 6 2.806 1.332 0.729 0.558 0.800 0.800 CB 0.644 4 residues pruned to eliminate duplicates Z: 13 17.153 1.896 0.453 0.892 1.000 0.833 CB 1.291 13 residues pruned to eliminate duplicates 436 residues left after pruning, divided into chains as follows: A: 6 B: 15 C: 12 D: 73 E: 14 F: 16 G: 18 H: 13 I: 13 J: 7 K: 19 L: 11 M: 78 N: 6 O: 15 P: 22 Q: 75 R: 12 S: 11 CC for partial structure against native data = 28.60 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.299, Contrast = 0.448, Connect. = 0.736 for dens.mod. cycle 1 = 0.299, Contrast = 0.506, Connect. = 0.754 for dens.mod. cycle 2 = 0.299, Contrast = 0.644, Connect. = 0.794 for dens.mod. cycle 3 = 0.299, Contrast = 0.661, Connect. = 0.797 for dens.mod. cycle 4 = 0.299, Contrast = 0.677, Connect. = 0.800 for dens.mod. cycle 5 = 0.299, Contrast = 0.687, Connect. = 0.802 for dens.mod. cycle 6 = 0.299, Contrast = 0.695, Connect. = 0.804 for dens.mod. cycle 7 = 0.299, Contrast = 0.702, Connect. = 0.805 for dens.mod. cycle 8 = 0.299, Contrast = 0.707, Connect. = 0.806 for dens.mod. cycle 9 = 0.299, Contrast = 0.711, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2797 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 566 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 24.558 2.409 0.263 0.837 1.000 0.692 CB 1.675 B: 21 45.250 2.393 0.707 0.938 0.950 0.600 CB 1.812 C: 17 24.790 2.166 0.746 0.910 1.000 0.938 CB 1.162 D: 15 24.536 2.317 0.277 0.851 0.929 0.786 CB 1.767 E: 12 35.002 2.549 0.611 0.854 1.000 0.818 CB 1.898 F: 15 23.169 2.310 0.241 0.916 1.000 0.929 CB 1.526 14 residues pruned to eliminate duplicates G: 10 11.793 2.016 0.843 0.363 0.889 0.556 CB 1.379 H: 13 29.530 2.426 0.472 0.864 1.000 0.500 CB 1.750 12 residues pruned to eliminate duplicates I: 19 25.065 2.256 0.783 0.506 0.944 0.722 CB 1.547 J: 16 22.046 2.235 0.392 0.917 1.000 0.800 CB 1.292 16 residues pruned to eliminate duplicates K: 12 13.199 2.146 0.249 0.659 0.818 0.636 CA 1.565 L: 13 24.543 2.416 0.369 0.861 0.917 0.917 CA 1.717 13 residues pruned to eliminate duplicates M: 12 8.598 1.912 0.422 0.367 0.909 0.545 CB 1.209 10 residues pruned to eliminate duplicates N: 15 23.082 2.161 0.450 0.865 1.000 0.857 CA 1.443 O: 13 34.819 2.383 0.682 0.863 1.000 0.750 CB 1.840 13 residues pruned to eliminate duplicates P: 15 36.212 2.365 0.855 0.858 0.929 0.786 CB 1.750 15 residues pruned to eliminate duplicates Q: 21 37.756 2.306 0.511 0.936 0.950 0.950 CB 1.776 21 residues pruned to eliminate duplicates R: 66 45.298 2.331 0.495 0.669 0.938 0.508 CB 1.469 38 residues pruned to eliminate duplicates S: 12 30.627 2.216 1.119 0.881 0.818 0.636 CA 1.741 12 residues pruned to eliminate duplicates T: 16 30.387 2.273 0.764 0.873 0.933 0.667 CB 1.528 16 residues pruned to eliminate duplicates U: 22 50.117 2.287 0.999 0.930 1.000 0.619 CB 1.673 29 residues pruned to eliminate duplicates V: 60 35.408 2.257 0.444 0.477 0.898 0.559 CB 1.612 15 residues pruned to eliminate duplicates W: 15 27.762 2.269 0.643 0.827 1.000 0.500 CA 1.500 15 residues pruned to eliminate duplicates X: 24 13.174 2.144 0.184 0.456 0.783 0.565 CB 1.447 4 residues pruned to eliminate duplicates Y: 15 20.278 2.298 0.344 0.769 0.929 0.429 CA 1.490 15 residues pruned to eliminate duplicates Z: 17 18.006 2.149 0.424 0.452 1.000 0.625 CB 1.546 Z: 22 43.054 2.312 0.607 0.918 1.000 0.476 CB 1.784 22 residues pruned to eliminate duplicates Z: 18 26.420 2.299 0.328 0.865 0.882 0.765 CA 1.742 18 residues pruned to eliminate duplicates Z: 60 43.704 2.284 0.566 0.548 0.949 0.610 CB 1.599 60 residues pruned to eliminate duplicates Z: 38 36.808 2.350 0.492 0.690 0.919 0.703 CB 1.579 38 residues pruned to eliminate duplicates Z: 16 29.365 2.266 0.578 0.845 0.933 0.800 CB 1.689 16 residues pruned to eliminate duplicates Z: 65 38.447 2.276 0.525 0.607 0.875 0.516 CB 1.430 65 residues pruned to eliminate duplicates Z: 19 29.273 2.204 0.540 0.944 1.000 0.889 CB 1.409 Z: 22 42.070 2.304 0.527 0.916 1.000 0.810 CB 1.843 22 residues pruned to eliminate duplicates Z: 19 30.420 2.210 0.723 0.948 1.000 0.611 CB 1.301 19 residues pruned to eliminate duplicates Z: 57 49.276 2.413 0.573 0.587 0.929 0.625 CB 1.719 34 residues pruned to eliminate duplicates Z: 11 14.744 2.139 0.160 0.930 1.000 0.900 CB 1.314 10 residues pruned to eliminate duplicates Z: 16 20.427 2.123 0.362 0.849 0.867 0.600 CA 1.560 16 residues pruned to eliminate duplicates Z: 7 10.549 2.220 0.256 0.708 0.833 0.667 CA 1.534 Z: 17 13.764 1.961 0.177 0.877 0.938 0.688 CB 1.155 Z: 15 22.848 2.109 0.522 0.887 1.000 0.786 CB 1.372 17 residues pruned to eliminate duplicates Z: 14 37.166 2.450 0.727 0.901 1.000 1.000 CB 1.739 14 residues pruned to eliminate duplicates Z: 21 37.067 2.345 0.366 0.926 1.000 0.850 CB 1.815 21 residues pruned to eliminate duplicates Z: 7 15.333 1.945 0.325 0.895 1.000 1.000 CB 1.741 6 residues pruned to eliminate duplicates Z: 18 32.426 2.326 0.680 0.945 1.000 0.824 CB 1.393 19 residues pruned to eliminate duplicates Z: 13 18.434 2.110 0.326 0.854 1.000 0.833 CA 1.405 Z: 13 27.934 2.452 0.515 0.842 1.000 0.417 CB 1.617 13 residues pruned to eliminate duplicates Z: 12 11.034 2.058 -0.119 0.892 1.000 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 19 13.506 2.038 0.544 0.387 0.833 0.444 CB 1.369 19 residues pruned to eliminate duplicates Z: 21 13.796 2.114 0.192 0.508 1.000 0.650 CB 1.215 Z: 49 33.658 2.288 0.587 0.448 0.875 0.458 CB 1.614 49 residues pruned to eliminate duplicates Z: 14 25.310 2.321 0.442 0.819 0.923 0.846 CB 1.722 14 residues pruned to eliminate duplicates Z: 20 44.013 2.373 0.675 0.912 1.000 0.842 CB 1.799 20 residues pruned to eliminate duplicates Z: 8 14.132 1.990 0.402 0.772 1.000 0.857 CB 1.505 9 residues pruned to eliminate duplicates Z: 7 9.556 2.276 0.092 0.801 0.833 0.500 CB 1.448 Z: 15 39.136 2.267 0.985 0.868 1.000 0.714 CB 1.699 15 residues pruned to eliminate duplicates Z: 12 19.397 2.259 0.460 0.550 1.000 0.727 CB 1.690 12 residues pruned to eliminate duplicates Z: 32 28.751 2.222 0.455 0.583 0.935 0.710 CB 1.577 18 residues pruned to eliminate duplicates Z: 50 33.818 2.282 0.350 0.498 0.918 0.694 CB 1.710 50 residues pruned to eliminate duplicates Z: 10 13.117 1.934 0.365 0.829 0.889 0.778 CB 1.403 7 residues pruned to eliminate duplicates Z: 12 14.139 2.006 0.479 0.687 0.818 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 10 17.344 2.159 0.480 0.710 1.000 0.778 CB 1.494 10 residues pruned to eliminate duplicates Z: 9 15.557 2.162 0.590 0.706 0.875 0.750 CB 1.515 10 residues pruned to eliminate duplicates Z: 20 43.550 2.299 0.790 0.924 1.000 0.474 CB 1.706 20 residues pruned to eliminate duplicates Z: 17 23.827 2.102 0.679 0.912 1.000 0.562 CB 1.196 17 residues pruned to eliminate duplicates Z: 16 28.546 2.214 0.801 0.922 1.000 0.933 CB 1.300 16 residues pruned to eliminate duplicates Z: 53 38.833 2.393 0.396 0.561 0.904 0.519 CB 1.682 53 residues pruned to eliminate duplicates Z: 15 21.809 2.222 0.443 0.931 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 13 17.695 2.077 0.321 0.825 1.000 0.667 CA 1.405 13 residues pruned to eliminate duplicates Z: 77 52.713 2.365 0.599 0.600 0.934 0.513 CB 1.555 79 residues pruned to eliminate duplicates Z: 33 28.859 2.289 0.666 0.504 0.906 0.438 CB 1.471 33 residues pruned to eliminate duplicates Z: 15 20.756 2.181 0.507 0.921 1.000 0.643 CB 1.187 15 residues pruned to eliminate duplicates Z: 21 46.798 2.355 0.812 0.940 1.000 0.900 CB 1.703 21 residues pruned to eliminate duplicates Z: 36 39.232 2.372 0.656 0.681 0.886 0.514 CB 1.614 36 residues pruned to eliminate duplicates Z: 34 22.788 2.241 0.327 0.489 0.879 0.576 CB 1.536 34 residues pruned to eliminate duplicates Z: 52 25.536 2.081 0.324 0.492 0.882 0.510 CB 1.483 47 residues pruned to eliminate duplicates Z: 7 15.357 2.151 0.294 0.681 1.000 0.833 N 1.907 Z: 13 16.451 2.096 0.267 0.934 1.000 0.750 CB 1.247 13 residues pruned to eliminate duplicates Z: 14 32.058 2.299 0.569 0.932 1.000 1.000 CA 1.720 14 residues pruned to eliminate duplicates Z: 21 36.877 2.252 0.753 0.905 0.950 0.550 CB 1.565 21 residues pruned to eliminate duplicates Z: 14 23.233 2.365 0.331 0.844 1.000 0.846 CA 1.523 14 residues pruned to eliminate duplicates Z: 8 7.413 1.890 0.162 0.723 0.857 0.571 CB 1.216 8 residues pruned to eliminate duplicates Z: 11 24.847 2.489 0.982 0.536 0.900 0.800 CB 1.709 11 residues pruned to eliminate duplicates Z: 6 4.763 1.859 -0.030 0.539 1.000 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 14 43.840 2.483 1.010 0.930 1.000 0.923 CB 1.704 14 residues pruned to eliminate duplicates Z: 48 32.847 2.268 0.367 0.511 0.936 0.489 CB 1.634 48 residues pruned to eliminate duplicates Z: 16 28.709 2.223 0.592 0.893 1.000 0.667 CA 1.504 16 residues pruned to eliminate duplicates Z: 7 8.364 2.014 0.052 0.767 0.833 0.500 CB 1.527 7 residues pruned to eliminate duplicates Z: 21 18.978 2.072 0.513 0.492 0.950 0.500 CB 1.435 21 residues pruned to eliminate duplicates Z: 8 12.531 2.018 0.151 0.860 1.000 0.857 CB 1.499 8 residues pruned to eliminate duplicates Z: 8 10.257 2.103 0.071 0.828 0.857 0.857 CB 1.512 8 residues pruned to eliminate duplicates Z: 8 6.913 1.777 -0.036 0.888 1.000 0.571 CB 1.099 7 residues pruned to eliminate duplicates Z: 16 26.359 2.216 0.476 0.848 1.000 0.867 CA 1.543 16 residues pruned to eliminate duplicates Z: 6 4.246 1.643 0.450 0.534 0.600 0.200 CA 1.285 6 residues pruned to eliminate duplicates Z: 15 21.281 2.127 0.405 0.891 1.000 0.786 CB 1.369 15 residues pruned to eliminate duplicates Z: 6 8.413 1.912 0.557 0.662 1.000 0.800 CB 1.088 Z: 26 20.284 2.113 0.563 0.413 0.960 0.600 CB 1.401 10 residues pruned to eliminate duplicates Z: 13 17.113 2.087 0.236 0.877 1.000 0.833 CA 1.391 13 residues pruned to eliminate duplicates Z: 12 17.583 2.028 0.319 0.854 1.000 0.818 CA 1.464 Z: 33 37.462 2.380 0.509 0.690 0.938 0.719 CB 1.654 33 residues pruned to eliminate duplicates Z: 22 39.220 2.269 0.556 0.939 1.000 0.810 CB 1.685 22 residues pruned to eliminate duplicates Z: 80 43.023 2.364 0.469 0.545 0.873 0.595 CB 1.527 65 residues pruned to eliminate duplicates Z: 8 20.163 2.278 0.469 0.893 1.000 0.857 CB 1.635 8 residues pruned to eliminate duplicates Z: 13 19.102 2.118 0.297 0.857 1.000 0.833 CA 1.479 13 residues pruned to eliminate duplicates Z: 15 22.875 2.364 0.127 0.902 1.000 0.857 CA 1.636 15 residues pruned to eliminate duplicates Z: 19 23.776 2.277 0.553 0.561 0.944 0.722 CB 1.582 20 residues pruned to eliminate duplicates Z: 9 19.254 2.113 0.546 0.827 1.000 0.500 CB 1.570 9 residues pruned to eliminate duplicates Z: 11 8.801 1.620 0.496 0.832 0.900 0.600 CB 0.958 11 residues pruned to eliminate duplicates Z: 13 29.154 2.504 0.276 0.851 1.000 0.750 CB 1.949 13 residues pruned to eliminate duplicates Z: 12 18.880 2.019 0.480 0.866 1.000 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 66 48.751 2.301 0.605 0.574 0.969 0.708 CB 1.573 66 residues pruned to eliminate duplicates Z: 19 29.327 2.185 0.594 0.928 1.000 0.778 CB 1.389 19 residues pruned to eliminate duplicates Z: 12 22.729 2.220 0.324 0.890 1.000 0.636 CA 1.677 12 residues pruned to eliminate duplicates Z: 15 26.537 2.308 0.547 0.865 1.000 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 146 66.462 2.372 0.520 0.583 0.917 0.559 CB 1.541 146 residues pruned to eliminate duplicates Z: 11 7.803 2.027 0.126 0.466 0.900 0.400 CB 1.243 11 residues pruned to eliminate duplicates Z: 91 53.454 2.352 0.634 0.527 0.944 0.544 CB 1.511 91 residues pruned to eliminate duplicates Z: 22 44.430 2.298 0.655 0.925 1.000 0.667 CB 1.789 22 residues pruned to eliminate duplicates Z: 6 6.916 1.751 0.339 0.659 0.800 0.400 N 1.422 6 residues pruned to eliminate duplicates Z: 63 54.020 2.398 0.633 0.596 0.935 0.548 CB 1.709 63 residues pruned to eliminate duplicates Z: 46 37.500 2.336 0.475 0.663 0.911 0.578 CB 1.531 46 residues pruned to eliminate duplicates Z: 65 45.415 2.307 0.564 0.550 0.891 0.609 CB 1.683 65 residues pruned to eliminate duplicates Z: 15 26.924 2.291 0.579 0.893 1.000 0.857 CB 1.429 15 residues pruned to eliminate duplicates Z: 13 37.338 2.389 0.978 0.908 1.000 0.667 CB 1.620 13 residues pruned to eliminate duplicates Z: 70 38.958 2.367 0.469 0.507 0.870 0.551 CB 1.540 70 residues pruned to eliminate duplicates Z: 26 20.551 2.119 0.597 0.433 0.920 0.560 CB 1.415 26 residues pruned to eliminate duplicates Z: 9 4.999 1.946 0.075 0.407 0.875 0.375 CB 1.064 9 residues pruned to eliminate duplicates Z: 14 18.408 2.149 0.496 0.859 0.923 0.846 CB 1.266 Z: 7 11.408 1.929 0.179 0.895 1.000 1.000 CB 1.468 7 residues pruned to eliminate duplicates Z: 14 22.084 2.157 0.724 0.863 1.000 0.769 CB 1.208 14 residues pruned to eliminate duplicates Z: 18 26.354 2.131 0.753 0.932 1.000 0.471 CB 1.194 18 residues pruned to eliminate duplicates Z: 13 18.906 1.899 0.485 0.897 1.000 0.750 CB 1.385 12 residues pruned to eliminate duplicates Z: 16 22.864 2.217 0.369 0.939 1.000 0.933 CB 1.352 16 residues pruned to eliminate duplicates Z: 13 20.783 2.428 0.083 0.844 1.000 0.750 CA 1.698 13 residues pruned to eliminate duplicates Z: 13 13.479 1.907 0.210 0.816 1.000 0.833 CA 1.282 13 residues pruned to eliminate duplicates Z: 14 14.755 2.171 0.480 0.492 0.846 0.538 CB 1.518 14 residues pruned to eliminate duplicates Z: 84 46.858 2.369 0.543 0.511 0.892 0.554 CB 1.561 84 residues pruned to eliminate duplicates Z: 11 13.073 2.044 0.166 0.914 1.000 0.900 CB 1.227 11 residues pruned to eliminate duplicates Z: 15 21.203 2.209 0.254 0.876 1.000 0.857 CA 1.486 15 residues pruned to eliminate duplicates Z: 13 29.131 2.251 0.581 0.917 1.000 0.500 CB 1.668 13 residues pruned to eliminate duplicates Z: 15 24.826 2.187 0.806 0.927 1.000 0.500 CB 1.177 15 residues pruned to eliminate duplicates Z: 13 14.653 2.083 0.027 0.876 1.000 0.833 CA 1.436 13 residues pruned to eliminate duplicates Z: 10 9.719 1.847 0.365 0.786 0.889 0.778 CA 1.124 10 residues pruned to eliminate duplicates Z: 27 28.667 2.262 0.619 0.647 0.962 0.538 CB 1.392 27 residues pruned to eliminate duplicates Z: 15 17.083 1.985 0.310 0.889 1.000 0.857 CB 1.265 15 residues pruned to eliminate duplicates Z: 16 23.838 2.166 0.467 0.888 1.000 0.933 CB 1.396 16 residues pruned to eliminate duplicates Z: 14 18.772 2.139 0.424 0.849 1.000 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 11 15.295 2.059 0.146 0.893 1.000 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 11 20.193 2.070 0.501 0.885 1.000 0.700 CB 1.483 11 residues pruned to eliminate duplicates Z: 14 13.602 2.042 0.115 0.924 1.000 0.692 CB 1.164 14 residues pruned to eliminate duplicates Z: 15 27.060 2.316 0.568 0.896 1.000 0.857 CB 1.427 15 residues pruned to eliminate duplicates Z: 15 23.361 2.321 0.237 0.850 1.000 0.857 CA 1.610 15 residues pruned to eliminate duplicates Z: 14 35.837 2.432 0.874 0.863 1.000 0.538 CB 1.601 14 residues pruned to eliminate duplicates Z: 7 13.422 2.074 0.604 0.688 1.000 0.833 CA 1.387 6 residues pruned to eliminate duplicates Z: 18 21.148 2.307 0.283 0.712 0.882 0.529 CA 1.621 18 residues pruned to eliminate duplicates Z: 14 35.408 2.384 0.744 0.803 1.000 0.769 CA 1.813 14 residues pruned to eliminate duplicates Z: 15 11.269 2.126 0.520 0.378 0.786 0.500 CB 1.351 15 residues pruned to eliminate duplicates Z: 26 10.822 1.929 0.232 0.378 0.840 0.520 CB 1.235 27 residues pruned to eliminate duplicates Z: 11 14.255 2.110 0.495 0.693 0.900 0.800 CA 1.331 11 residues pruned to eliminate duplicates Z: 6 2.830 1.660 0.183 0.419 0.800 0.200 CB 0.877 6 residues pruned to eliminate duplicates Z: 49 41.531 2.391 0.647 0.638 0.833 0.500 CB 1.606 49 residues pruned to eliminate duplicates Z: 17 14.669 1.982 0.052 0.897 1.000 0.938 CB 1.259 17 residues pruned to eliminate duplicates Z: 17 21.633 2.133 0.685 0.923 0.875 0.562 CB 1.208 17 residues pruned to eliminate duplicates Z: 21 14.823 2.146 0.282 0.469 0.800 0.450 CB 1.555 21 residues pruned to eliminate duplicates Z: 34 20.013 2.178 0.289 0.405 0.909 0.545 CB 1.509 34 residues pruned to eliminate duplicates Z: 13 17.088 2.126 0.286 0.845 0.917 0.750 CA 1.463 13 residues pruned to eliminate duplicates Z: 16 24.339 2.250 0.496 0.911 1.000 0.867 CB 1.323 16 residues pruned to eliminate duplicates Z: 16 20.000 2.064 0.442 0.904 1.000 0.800 CB 1.235 16 residues pruned to eliminate duplicates Z: 8 11.384 1.716 0.556 0.884 0.857 0.571 CB 1.359 8 residues pruned to eliminate duplicates Z: 8 13.701 2.106 0.294 0.707 1.000 0.857 CB 1.574 8 residues pruned to eliminate duplicates Z: 16 19.918 2.161 0.066 0.887 1.000 0.867 CB 1.610 16 residues pruned to eliminate duplicates Z: 14 18.928 2.152 0.423 0.837 1.000 0.846 CB 1.282 14 residues pruned to eliminate duplicates Z: 11 15.116 1.861 0.550 0.919 0.900 0.400 CB 1.298 Z: 11 18.171 2.005 0.583 0.871 0.900 0.300 CB 1.468 11 residues pruned to eliminate duplicates Z: 19 23.078 2.176 0.420 0.936 1.000 0.500 CB 1.225 19 residues pruned to eliminate duplicates Z: 8 19.753 2.219 0.443 0.915 1.000 0.714 CB 1.647 8 residues pruned to eliminate duplicates Z: 15 15.348 1.991 0.342 0.886 0.929 0.500 CB 1.193 14 residues pruned to eliminate duplicates Z: 15 29.696 2.314 0.613 0.876 1.000 0.786 CA 1.545 15 residues pruned to eliminate duplicates Z: 25 15.654 2.109 0.389 0.442 0.833 0.417 CB 1.390 25 residues pruned to eliminate duplicates Z: 14 7.864 1.712 0.466 0.373 0.769 0.385 CB 1.294 14 residues pruned to eliminate duplicates Z: 19 15.833 2.190 0.319 0.503 0.944 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 20 18.663 2.173 0.425 0.481 0.895 0.684 CB 1.576 20 residues pruned to eliminate duplicates Z: 55 32.764 2.337 0.509 0.513 0.852 0.537 CB 1.465 55 residues pruned to eliminate duplicates Z: 21 39.735 2.300 0.740 0.916 0.950 0.700 CB 1.650 21 residues pruned to eliminate duplicates Z: 11 11.282 2.102 0.378 0.584 0.700 0.700 CA 1.623 11 residues pruned to eliminate duplicates Z: 12 13.205 1.892 0.120 0.912 1.000 0.818 CB 1.330 12 residues pruned to eliminate duplicates Z: 9 20.258 2.016 0.890 0.899 1.000 0.625 CB 1.344 9 residues pruned to eliminate duplicates Z: 14 14.570 1.849 0.185 0.886 1.000 0.692 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 29.164 2.298 0.497 0.862 1.000 0.571 CA 1.664 15 residues pruned to eliminate duplicates Z: 9 14.207 2.449 0.198 0.469 1.000 0.625 CA 1.766 9 residues pruned to eliminate duplicates Z: 15 32.804 2.307 0.844 0.904 1.000 0.857 CB 1.468 15 residues pruned to eliminate duplicates Z: 13 25.129 2.143 0.612 0.892 1.000 0.667 CA 1.509 13 residues pruned to eliminate duplicates Z: 16 23.532 2.120 0.689 0.827 0.933 0.600 CA 1.370 16 residues pruned to eliminate duplicates Z: 10 5.378 1.764 0.448 0.497 0.889 0.444 CB 0.792 10 residues pruned to eliminate duplicates Z: 16 28.504 2.191 0.946 0.917 1.000 0.667 CB 1.218 16 residues pruned to eliminate duplicates Z: 14 22.109 2.014 0.477 0.856 1.000 1.000 CA 1.520 14 residues pruned to eliminate duplicates Z: 6 6.222 2.006 0.550 0.584 0.800 0.800 CB 1.032 6 residues pruned to eliminate duplicates Z: 53 50.885 2.341 0.621 0.626 0.962 0.654 CB 1.719 53 residues pruned to eliminate duplicates Z: 12 28.343 2.394 0.652 0.914 1.000 0.727 CB 1.528 12 residues pruned to eliminate duplicates Z: 16 14.971 2.151 0.559 0.467 0.867 0.600 CB 1.375 16 residues pruned to eliminate duplicates Z: 13 14.936 1.938 0.226 0.880 1.000 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 13 15.131 2.062 0.353 0.670 0.917 0.667 CB 1.460 13 residues pruned to eliminate duplicates Z: 13 13.591 2.050 0.551 0.566 0.833 0.333 CB 1.389 7 residues pruned to eliminate duplicates Z: 42 32.442 2.302 0.606 0.501 0.951 0.610 CB 1.439 42 residues pruned to eliminate duplicates Z: 9 13.802 2.080 0.295 0.850 0.875 0.750 CB 1.534 9 residues pruned to eliminate duplicates Z: 15 31.967 2.296 0.723 0.834 1.000 0.786 CA 1.620 15 residues pruned to eliminate duplicates Z: 21 10.222 2.007 0.429 0.459 0.900 0.650 CB 0.924 21 residues pruned to eliminate duplicates Z: 50 34.853 2.379 0.544 0.527 0.898 0.510 CB 1.470 50 residues pruned to eliminate duplicates Z: 16 19.821 2.083 0.255 0.904 1.000 0.867 CB 1.394 16 residues pruned to eliminate duplicates Z: 8 11.291 1.889 0.351 0.732 0.857 0.857 CB 1.584 8 residues pruned to eliminate duplicates Z: 13 23.423 2.160 0.598 0.851 0.917 0.583 CA 1.582 13 residues pruned to eliminate duplicates Z: 10 8.629 1.751 0.244 0.840 0.889 0.556 CB 1.109 10 residues pruned to eliminate duplicates Z: 24 16.936 2.114 0.547 0.412 0.870 0.391 CB 1.362 24 residues pruned to eliminate duplicates Z: 8 13.410 2.035 0.330 0.890 1.000 0.857 CB 1.347 9 residues pruned to eliminate duplicates Z: 9 9.527 1.921 0.256 0.877 0.875 0.625 CB 1.158 9 residues pruned to eliminate duplicates Z: 57 44.712 2.340 0.656 0.520 0.893 0.500 CB 1.693 57 residues pruned to eliminate duplicates Z: 11 18.557 2.032 0.542 0.854 1.000 0.900 CA 1.383 11 residues pruned to eliminate duplicates Z: 14 10.421 1.806 0.055 0.848 0.923 0.769 CB 1.220 14 residues pruned to eliminate duplicates Z: 13 15.146 2.065 0.162 0.859 0.917 0.833 CA 1.463 13 residues pruned to eliminate duplicates Z: 21 14.825 2.123 0.228 0.448 0.950 0.500 CB 1.412 27 residues pruned to eliminate duplicates Z: 19 23.873 2.174 0.314 0.933 1.000 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 14 12.924 2.015 0.025 0.915 1.000 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 32 19.547 2.253 0.578 0.466 0.871 0.581 CB 1.173 32 residues pruned to eliminate duplicates Z: 13 15.135 1.834 0.466 0.821 1.000 0.667 CB 1.231 13 residues pruned to eliminate duplicates Z: 7 11.206 2.076 0.338 0.860 0.833 0.667 CB 1.452 7 residues pruned to eliminate duplicates Z: 14 19.000 2.142 0.305 0.931 1.000 0.462 CB 1.317 14 residues pruned to eliminate duplicates Z: 65 53.180 2.341 0.782 0.597 0.953 0.656 CB 1.524 65 residues pruned to eliminate duplicates Z: 22 10.449 2.007 0.186 0.400 0.762 0.571 CB 1.397 22 residues pruned to eliminate duplicates Z: 19 17.286 1.968 0.620 0.541 0.889 0.556 CB 1.381 19 residues pruned to eliminate duplicates Z: 74 50.636 2.344 0.738 0.500 0.932 0.493 CB 1.562 82 residues pruned to eliminate duplicates Z: 8 8.012 1.939 -0.007 0.696 1.000 0.571 CB 1.314 8 residues pruned to eliminate duplicates Z: 14 10.594 1.792 0.206 0.870 0.923 0.769 CB 1.075 14 residues pruned to eliminate duplicates Z: 7 15.476 2.201 0.277 0.861 1.000 0.833 CA 1.650 7 residues pruned to eliminate duplicates Z: 11 12.758 2.027 0.386 0.493 0.900 0.500 CB 1.607 11 residues pruned to eliminate duplicates Z: 17 20.615 2.131 0.294 0.863 1.000 0.875 CB 1.371 17 residues pruned to eliminate duplicates Z: 33 27.247 2.289 0.383 0.577 0.938 0.656 CB 1.507 33 residues pruned to eliminate duplicates Z: 14 13.951 1.819 0.352 0.848 0.923 0.615 CB 1.264 14 residues pruned to eliminate duplicates Z: 22 25.007 2.317 0.671 0.772 0.762 0.524 CB 1.454 22 residues pruned to eliminate duplicates Z: 14 37.013 2.336 1.088 0.897 1.000 0.538 CB 1.506 14 residues pruned to eliminate duplicates Z: 19 22.219 2.145 0.731 0.939 0.944 0.444 CB 1.037 19 residues pruned to eliminate duplicates Z: 19 31.238 2.238 0.499 0.944 1.000 0.944 CB 1.519 19 residues pruned to eliminate duplicates Z: 10 16.367 2.034 0.398 0.822 1.000 0.889 CA 1.451 11 residues pruned to eliminate duplicates Z: 14 17.723 2.153 0.044 0.924 1.000 1.000 CB 1.535 14 residues pruned to eliminate duplicates Z: 20 20.159 2.091 0.584 0.525 1.000 0.632 CB 1.361 20 residues pruned to eliminate duplicates Z: 14 11.774 1.946 0.546 0.352 1.000 0.462 CA 1.274 14 residues pruned to eliminate duplicates Z: 13 15.401 2.170 0.309 0.912 0.833 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 57 40.326 2.276 0.532 0.471 0.946 0.536 CA 1.681 57 residues pruned to eliminate duplicates Z: 9 10.770 1.857 0.370 0.855 0.875 0.875 CB 1.262 9 residues pruned to eliminate duplicates Z: 15 23.592 2.283 0.352 0.856 0.929 0.857 CB 1.622 15 residues pruned to eliminate duplicates Z: 17 24.440 2.152 0.637 0.897 1.000 0.875 CB 1.241 17 residues pruned to eliminate duplicates Z: 73 54.545 2.352 0.688 0.616 0.931 0.514 CB 1.559 73 residues pruned to eliminate duplicates Z: 21 18.136 2.060 0.466 0.513 0.950 0.650 CB 1.396 20 residues pruned to eliminate duplicates Z: 56 45.328 2.302 0.801 0.538 0.891 0.455 CB 1.594 56 residues pruned to eliminate duplicates Z: 26 17.186 2.057 0.372 0.482 0.920 0.560 CB 1.349 26 residues pruned to eliminate duplicates Z: 12 7.138 1.777 0.366 0.318 1.000 0.545 CB 1.084 12 residues pruned to eliminate duplicates Z: 14 17.940 2.139 0.445 0.860 1.000 0.846 CB 1.184 14 residues pruned to eliminate duplicates Z: 14 14.629 1.803 0.190 0.900 1.000 1.000 CB 1.351 14 residues pruned to eliminate duplicates Z: 57 34.987 2.214 0.553 0.486 0.857 0.571 CB 1.610 57 residues pruned to eliminate duplicates Z: 11 10.756 1.999 0.384 0.491 0.800 0.700 CA 1.550 11 residues pruned to eliminate duplicates Z: 9 8.818 1.844 0.101 0.828 0.875 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 8 13.230 1.825 0.243 0.899 1.000 1.000 CB 1.576 8 residues pruned to eliminate duplicates Z: 11 6.573 2.189 0.159 0.499 0.900 0.500 CB 0.911 11 residues pruned to eliminate duplicates Z: 6 8.297 1.517 0.757 0.855 1.000 1.000 CA 1.027 6 residues pruned to eliminate duplicates Z: 13 21.560 2.171 0.515 0.854 1.000 0.833 CB 1.397 13 residues pruned to eliminate duplicates Z: 12 16.508 2.097 0.913 0.891 0.727 0.364 CB 1.227 12 residues pruned to eliminate duplicates Z: 17 18.156 2.033 0.152 0.875 1.000 0.812 CB 1.409 17 residues pruned to eliminate duplicates Z: 6 6.103 1.554 0.569 0.672 1.000 0.400 CB 0.955 Z: 17 15.884 1.974 0.568 0.540 0.875 0.562 CB 1.410 Z: 36 26.092 2.126 0.331 0.545 0.886 0.686 CA 1.685 49 residues pruned to eliminate duplicates Z: 8 12.332 1.828 0.412 0.716 1.000 0.857 CA 1.486 Z: 8 12.419 1.980 0.428 0.828 0.857 0.714 CB 1.458 8 residues pruned to eliminate duplicates Z: 17 25.994 2.149 0.453 0.809 1.000 0.750 CB 1.590 17 residues pruned to eliminate duplicates Z: 27 35.390 2.288 0.717 0.681 0.923 0.538 CB 1.620 27 residues pruned to eliminate duplicates Z: 9 11.159 1.935 0.437 0.497 1.000 0.625 CA 1.423 9 residues pruned to eliminate duplicates Z: 8 13.015 1.783 0.600 0.782 1.000 0.714 CB 1.346 8 residues pruned to eliminate duplicates Z: 11 10.562 1.776 0.452 0.821 0.900 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 6 5.540 1.592 0.378 0.621 1.000 0.800 CB 1.007 6 residues pruned to eliminate duplicates Z: 17 24.138 2.216 0.532 0.901 0.812 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 10 17.038 1.939 0.477 0.853 1.000 0.778 CB 1.466 10 residues pruned to eliminate duplicates Z: 64 49.221 2.364 0.554 0.658 0.952 0.540 CB 1.531 64 residues pruned to eliminate duplicates Z: 16 14.623 2.237 0.254 0.492 0.867 0.733 CB 1.565 16 residues pruned to eliminate duplicates Z: 9 7.804 1.836 0.187 0.785 0.750 0.625 CA 1.314 9 residues pruned to eliminate duplicates Z: 9 13.109 1.995 0.263 0.855 1.000 0.625 CB 1.357 9 residues pruned to eliminate duplicates Z: 13 8.285 1.950 0.989 0.327 0.583 0.417 CB 1.278 13 residues pruned to eliminate duplicates Z: 6 3.935 1.914 -0.060 0.654 0.800 0.200 CA 1.059 6 residues pruned to eliminate duplicates Z: 42 34.580 2.373 0.457 0.572 0.927 0.585 CB 1.572 42 residues pruned to eliminate duplicates Z: 13 13.909 1.892 0.599 0.590 0.833 0.583 CB 1.461 13 residues pruned to eliminate duplicates Z: 9 18.417 2.114 0.611 0.739 1.000 0.750 CB 1.543 9 residues pruned to eliminate duplicates Z: 13 14.855 1.882 0.337 0.900 1.000 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 32 34.716 2.211 0.737 0.582 0.968 0.516 CB 1.550 32 residues pruned to eliminate duplicates Z: 7 4.193 1.808 0.135 0.548 0.667 0.667 N 1.194 7 residues pruned to eliminate duplicates Z: 15 18.987 2.027 0.418 0.868 1.000 0.857 CB 1.291 15 residues pruned to eliminate duplicates Z: 102 52.949 2.344 0.670 0.555 0.881 0.485 CB 1.448 103 residues pruned to eliminate duplicates Z: 48 37.796 2.329 0.639 0.602 0.830 0.553 CB 1.579 48 residues pruned to eliminate duplicates Z: 26 17.339 2.097 0.389 0.408 0.920 0.560 CB 1.425 26 residues pruned to eliminate duplicates Z: 16 18.616 2.259 0.734 0.502 0.933 0.533 CB 1.312 16 residues pruned to eliminate duplicates Z: 17 16.578 1.968 0.266 0.867 1.000 0.750 CB 1.217 17 residues pruned to eliminate duplicates Z: 12 15.864 2.127 0.432 0.710 0.818 0.727 CB 1.587 12 residues pruned to eliminate duplicates Z: 8 2.715 1.405 -0.053 0.411 0.857 0.429 O 0.987 8 residues pruned to eliminate duplicates Z: 12 21.422 2.026 0.764 0.874 0.909 0.455 CB 1.448 13 residues pruned to eliminate duplicates Z: 15 30.168 2.294 0.519 0.859 1.000 0.500 CA 1.703 15 residues pruned to eliminate duplicates Z: 86 41.562 2.262 0.414 0.537 0.882 0.600 CB 1.541 86 residues pruned to eliminate duplicates Z: 101 48.046 2.311 0.514 0.515 0.910 0.630 CB 1.487 101 residues pruned to eliminate duplicates Z: 12 10.673 1.833 0.645 0.508 0.818 0.636 CB 1.294 12 residues pruned to eliminate duplicates Z: 8 9.008 2.112 -0.030 0.748 0.857 0.857 CB 1.553 8 residues pruned to eliminate duplicates Z: 12 21.340 2.046 0.594 0.724 1.000 0.727 CB 1.612 11 residues pruned to eliminate duplicates Z: 14 15.748 1.844 0.468 0.830 0.923 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 27 15.333 1.972 0.462 0.496 0.885 0.500 CB 1.184 36 residues pruned to eliminate duplicates Z: 24 29.917 2.360 0.628 0.591 0.913 0.652 CB 1.630 24 residues pruned to eliminate duplicates Z: 11 14.220 1.823 0.693 0.489 1.000 0.500 CB 1.473 11 residues pruned to eliminate duplicates Z: 19 14.156 1.882 0.437 0.524 0.944 0.500 CB 1.276 17 residues pruned to eliminate duplicates Z: 7 15.350 1.814 0.650 0.848 1.000 0.833 CB 1.553 7 residues pruned to eliminate duplicates Z: 19 22.750 2.149 0.347 0.925 1.000 0.889 CB 1.300 19 residues pruned to eliminate duplicates Z: 15 22.171 1.980 0.685 0.856 1.000 0.571 CA 1.310 15 residues pruned to eliminate duplicates Z: 8 12.224 2.069 0.665 0.644 0.857 0.714 CB 1.367 8 residues pruned to eliminate duplicates Z: 57 32.054 2.240 0.237 0.507 0.946 0.679 CB 1.622 57 residues pruned to eliminate duplicates Z: 8 16.347 2.238 0.280 0.739 1.000 0.571 CB 1.742 8 residues pruned to eliminate duplicates Z: 8 16.712 1.720 0.777 0.888 1.000 0.714 N 1.489 8 residues pruned to eliminate duplicates Z: 15 28.599 2.262 0.849 0.895 1.000 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 6 2.198 1.597 0.559 0.293 0.800 0.600 CB 0.622 Z: 10 11.947 2.168 0.170 0.608 1.000 0.222 CA 1.417 10 residues pruned to eliminate duplicates Z: 11 8.548 1.768 0.144 0.627 1.000 0.600 CA 1.186 11 residues pruned to eliminate duplicates Z: 16 21.523 2.219 0.590 0.589 1.000 0.733 CB 1.447 16 residues pruned to eliminate duplicates Z: 7 11.935 2.004 0.546 0.691 0.833 0.667 CB 1.584 7 residues pruned to eliminate duplicates Z: 94 43.097 2.333 0.419 0.523 0.860 0.538 CB 1.534 94 residues pruned to eliminate duplicates Z: 36 21.000 2.208 0.398 0.456 0.886 0.600 CB 1.359 36 residues pruned to eliminate duplicates Z: 12 9.053 2.039 0.427 0.285 1.000 0.455 CB 1.195 12 residues pruned to eliminate duplicates Z: 55 47.503 2.299 0.690 0.551 0.963 0.444 CB 1.645 55 residues pruned to eliminate duplicates Z: 22 33.319 2.220 0.383 0.921 0.952 0.810 CB 1.750 22 residues pruned to eliminate duplicates Z: 7 13.070 2.034 0.540 0.827 1.000 0.667 CB 1.284 7 residues pruned to eliminate duplicates Z: 38 28.225 2.196 0.603 0.576 0.865 0.622 CB 1.416 38 residues pruned to eliminate duplicates Z: 13 8.785 1.804 0.294 0.525 0.917 0.750 CB 1.157 13 residues pruned to eliminate duplicates Z: 21 22.314 2.077 0.550 0.544 0.950 0.700 CB 1.563 21 residues pruned to eliminate duplicates Z: 6 7.096 1.771 0.226 0.661 1.000 0.800 CA 1.259 6 residues pruned to eliminate duplicates Z: 25 13.572 1.971 0.330 0.418 0.917 0.542 CB 1.256 25 residues pruned to eliminate duplicates Z: 13 19.545 2.297 0.297 0.840 0.917 0.750 CA 1.542 13 residues pruned to eliminate duplicates Z: 94 47.341 2.341 0.502 0.522 0.871 0.548 CB 1.569 94 residues pruned to eliminate duplicates Z: 42 38.455 2.379 0.465 0.600 0.927 0.537 CB 1.691 42 residues pruned to eliminate duplicates Z: 9 5.884 2.307 0.385 0.204 0.750 0.625 CB 1.234 9 residues pruned to eliminate duplicates 11 1.968 1.666 -0.189 0.200 0.700 0.400 CB 0.941 ? Z: 8 13.890 2.537 0.168 0.468 1.000 0.714 CB 1.830 8 residues pruned to eliminate duplicates Z: 13 15.677 1.924 0.255 0.898 1.000 0.583 CB 1.341 13 residues pruned to eliminate duplicates Z: 7 2.752 1.372 0.039 0.511 1.000 0.500 CB 0.780 Z: 12 9.878 1.746 0.662 0.407 0.909 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 33 25.784 2.199 0.462 0.555 0.875 0.656 CB 1.535 33 residues pruned to eliminate duplicates Z: 6 2.108 1.454 0.234 0.362 0.600 0.600 CB 1.016 Z: 13 12.180 2.037 0.483 0.586 0.833 0.583 CB 1.286 13 residues pruned to eliminate duplicates Z: 6 2.374 1.515 0.269 0.319 0.800 0.600 CA 0.843 Z: 12 28.414 2.437 0.673 0.882 1.000 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 17 13.308 2.060 0.369 0.484 0.812 0.625 CB 1.475 17 residues pruned to eliminate duplicates Z: 15 24.461 2.072 0.722 0.945 1.000 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 19 22.558 2.162 0.331 0.953 0.944 0.889 CB 1.346 19 residues pruned to eliminate duplicates Z: 9 13.365 2.209 0.215 0.909 1.000 0.750 CB 1.250 9 residues pruned to eliminate duplicates Z: 14 26.470 2.314 0.482 0.942 1.000 0.923 CB 1.484 14 residues pruned to eliminate duplicates Z: 10 17.937 2.087 0.609 0.669 1.000 0.889 CB 1.523 10 residues pruned to eliminate duplicates Z: 13 18.898 2.133 0.671 0.745 0.833 0.250 CB 1.475 13 residues pruned to eliminate duplicates Z: 43 50.136 2.362 0.753 0.605 0.976 0.595 CB 1.732 43 residues pruned to eliminate duplicates Z: 14 17.778 2.097 0.568 0.877 0.923 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 16 28.315 2.219 0.700 0.814 0.933 0.800 CB 1.580 16 residues pruned to eliminate duplicates Z: 8 4.765 2.005 -0.101 0.463 0.857 0.571 CB 1.209 7 residues pruned to eliminate duplicates Z: 7 15.274 2.073 0.332 0.792 1.000 0.667 N 1.747 7 residues pruned to eliminate duplicates Z: 6 8.764 1.670 0.354 0.829 1.000 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 36 23.646 2.175 0.399 0.449 0.943 0.514 CB 1.468 36 residues pruned to eliminate duplicates Z: 6 5.830 2.020 0.472 0.403 0.800 0.400 CB 1.214 6 residues pruned to eliminate duplicates Z: 14 24.245 2.101 0.545 0.915 1.000 0.846 CB 1.464 14 residues pruned to eliminate duplicates Z: 14 18.123 2.088 0.593 0.842 1.000 0.692 CB 1.126 14 residues pruned to eliminate duplicates Z: 8 8.353 2.201 -0.112 0.905 1.000 0.857 CB 1.149 8 residues pruned to eliminate duplicates Z: 15 18.761 2.051 0.449 0.857 0.929 0.857 CB 1.339 15 residues pruned to eliminate duplicates Z: 13 9.862 1.709 0.362 0.517 0.917 0.417 CA 1.311 13 residues pruned to eliminate duplicates Z: 17 14.440 1.980 0.396 0.711 0.875 0.688 CB 1.232 17 residues pruned to eliminate duplicates Z: 23 21.028 2.197 0.560 0.522 0.909 0.636 CB 1.408 23 residues pruned to eliminate duplicates Z: 28 21.896 2.205 0.348 0.549 0.889 0.704 CB 1.520 28 residues pruned to eliminate duplicates Z: 9 2.612 1.552 0.380 0.405 0.625 0.250 CB 0.762 Z: 11 8.930 2.131 0.118 0.527 1.000 0.800 CB 1.155 11 residues pruned to eliminate duplicates Z: 13 10.941 2.011 0.507 0.456 0.833 0.583 CB 1.308 13 residues pruned to eliminate duplicates Z: 13 6.860 1.905 0.061 0.331 0.917 0.583 CB 1.287 13 residues pruned to eliminate duplicates Z: 11 13.771 2.078 0.452 0.649 0.800 0.500 CA 1.570 11 residues pruned to eliminate duplicates Z: 6 11.556 2.071 0.549 0.613 1.000 0.800 CA 1.447 6 residues pruned to eliminate duplicates Z: 12 21.539 2.272 0.773 0.514 1.000 0.727 CB 1.591 19 residues pruned to eliminate duplicates Z: 46 40.149 2.295 0.685 0.642 0.867 0.489 CB 1.564 46 residues pruned to eliminate duplicates Z: 10 10.059 2.127 -0.203 0.900 1.000 1.000 CB 1.412 10 residues pruned to eliminate duplicates Z: 7 2.771 1.546 0.410 0.230 0.667 0.500 N 1.066 7 residues pruned to eliminate duplicates Z: 68 49.889 2.266 0.614 0.581 0.910 0.567 CB 1.694 68 residues pruned to eliminate duplicates Z: 25 15.738 2.282 0.426 0.392 0.750 0.417 CB 1.475 25 residues pruned to eliminate duplicates Z: 21 10.822 2.055 0.321 0.390 0.750 0.550 CB 1.336 21 residues pruned to eliminate duplicates Z: 12 9.545 1.902 0.314 0.383 0.909 0.364 CB 1.436 Z: 7 23.268 2.409 0.662 0.863 1.000 0.500 CA 1.741 7 residues pruned to eliminate duplicates Z: 14 32.774 2.272 0.877 0.904 0.923 0.385 CB 1.645 14 residues pruned to eliminate duplicates Z: 10 19.825 2.008 0.889 0.726 1.000 0.556 CA 1.421 10 residues pruned to eliminate duplicates Z: 11 6.252 1.830 0.061 0.326 0.900 0.400 CB 1.370 11 residues pruned to eliminate duplicates Z: 35 30.355 2.296 0.430 0.587 1.000 0.618 CB 1.458 35 residues pruned to eliminate duplicates Z: 9 12.795 1.901 0.312 0.832 1.000 0.875 CB 1.363 9 residues pruned to eliminate duplicates Z: 7 6.513 1.951 -0.150 0.746 1.000 0.333 CB 1.287 7 residues pruned to eliminate duplicates Z: 32 33.248 2.352 0.444 0.600 0.935 0.710 CA 1.708 32 residues pruned to eliminate duplicates Z: 14 13.311 1.967 0.088 0.927 1.000 0.846 CB 1.208 14 residues pruned to eliminate duplicates Z: 11 7.564 1.737 0.274 0.562 0.900 0.700 CB 1.131 6 residues pruned to eliminate duplicates Z: 28 12.372 2.167 0.206 0.420 0.852 0.556 CB 1.162 28 residues pruned to eliminate duplicates Z: 13 17.445 1.907 0.519 0.909 1.000 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 13 12.897 1.910 0.526 0.601 0.833 0.583 CB 1.391 8 residues pruned to eliminate duplicates Z: 13 12.543 1.892 0.476 0.855 0.833 0.667 CB 1.148 13 residues pruned to eliminate duplicates Z: 19 15.733 2.064 0.371 0.499 0.889 0.833 CA 1.475 19 residues pruned to eliminate duplicates Z: 8 2.024 1.463 0.210 0.210 0.857 0.571 CB 0.710 Z: 8 10.621 2.025 0.311 0.718 0.857 0.714 CA 1.448 8 residues pruned to eliminate duplicates Z: 19 9.026 1.843 0.287 0.395 0.778 0.556 CB 1.289 19 residues pruned to eliminate duplicates Z: 19 13.866 2.161 0.360 0.408 0.889 0.667 CB 1.377 19 residues pruned to eliminate duplicates Z: 11 10.251 2.151 0.044 0.459 1.000 0.500 CA 1.505 11 residues pruned to eliminate duplicates Z: 8 7.138 1.896 0.646 0.344 0.714 0.429 CA 1.434 8 residues pruned to eliminate duplicates Z: 29 33.052 2.192 0.727 0.594 0.964 0.393 CB 1.563 26 residues pruned to eliminate duplicates Z: 20 22.127 2.051 0.522 0.489 1.000 0.632 CB 1.643 20 residues pruned to eliminate duplicates Z: 8 3.844 1.457 0.544 0.405 0.714 0.429 CB 0.999 8 residues pruned to eliminate duplicates Z: 14 17.964 2.219 0.479 0.494 0.923 0.769 CB 1.655 14 residues pruned to eliminate duplicates Z: 14 10.177 1.700 0.156 0.822 0.923 0.692 CB 1.177 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.435 1.889 0.402 0.371 0.800 0.600 C 1.559 6 residues pruned to eliminate duplicates Z: 33 25.448 2.004 0.684 0.645 0.906 0.625 CB 1.285 34 residues pruned to eliminate duplicates Z: 8 3.973 1.434 0.335 0.307 0.857 0.143 N 1.135 8 residues pruned to eliminate duplicates Z: 25 15.859 1.950 0.293 0.651 0.917 0.708 CB 1.217 24 residues pruned to eliminate duplicates Z: 14 14.997 2.145 -0.022 0.919 1.000 0.769 CB 1.398 14 residues pruned to eliminate duplicates Z: 20 13.931 1.972 0.418 0.621 0.947 0.526 CB 1.077 20 residues pruned to eliminate duplicates Z: 35 26.385 2.006 0.599 0.574 0.971 0.559 CB 1.354 36 residues pruned to eliminate duplicates Z: 15 19.256 2.040 0.291 0.895 1.000 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 30 22.224 1.835 0.691 0.652 1.000 0.621 CB 1.154 22 residues pruned to eliminate duplicates Z: 15 20.401 2.025 0.660 0.887 1.000 0.357 CB 1.169 15 residues pruned to eliminate duplicates Z: 22 19.859 1.848 0.536 0.731 1.000 0.476 CB 1.240 22 residues pruned to eliminate duplicates Z: 55 34.999 2.044 0.706 0.649 0.926 0.556 CB 1.284 55 residues pruned to eliminate duplicates Z: 26 21.251 1.982 0.527 0.678 0.920 0.720 CB 1.296 26 residues pruned to eliminate duplicates Z: 29 20.404 1.929 0.677 0.562 0.821 0.429 CB 1.366 79 residues pruned to eliminate duplicates Z: 16 19.913 2.007 0.481 0.851 0.933 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 24 21.250 1.892 0.755 0.722 0.913 0.391 CB 1.196 24 residues pruned to eliminate duplicates Z: 11 17.000 2.068 0.314 0.851 1.000 0.800 CA 1.464 11 residues pruned to eliminate duplicates Z: 39 24.098 2.056 0.421 0.523 0.895 0.526 CB 1.463 39 residues pruned to eliminate duplicates Z: 15 13.390 1.871 0.358 0.642 1.000 0.500 CA 1.233 12 residues pruned to eliminate duplicates Z: 12 13.368 2.010 0.097 0.864 1.000 0.545 CA 1.340 12 residues pruned to eliminate duplicates Z: 13 12.132 1.961 0.073 0.790 0.917 0.583 CA 1.407 13 residues pruned to eliminate duplicates Z: 37 22.442 2.010 0.339 0.547 0.944 0.500 CB 1.406 37 residues pruned to eliminate duplicates Z: 15 12.471 1.906 0.347 0.645 0.857 0.500 CA 1.323 15 residues pruned to eliminate duplicates Z: 12 16.426 1.985 0.338 0.762 1.000 0.455 CA 1.479 12 residues pruned to eliminate duplicates Z: 15 14.080 1.956 0.320 0.645 0.929 0.429 CB 1.371 15 residues pruned to eliminate duplicates Z: 52 51.474 2.425 0.539 0.610 0.980 0.686 CB 1.774 52 residues pruned to eliminate duplicates Z: 73 47.113 2.331 0.512 0.549 0.903 0.625 CB 1.663 73 residues pruned to eliminate duplicates Z: 54 46.811 2.386 0.547 0.575 0.925 0.623 CB 1.753 54 residues pruned to eliminate duplicates Z: 55 44.523 2.356 0.494 0.561 0.926 0.556 CB 1.753 55 residues pruned to eliminate duplicates Z: 18 24.388 2.344 0.643 0.683 0.882 0.588 CB 1.471 18 residues pruned to eliminate duplicates Z: 75 49.367 2.279 0.564 0.523 0.959 0.527 CB 1.640 75 residues pruned to eliminate duplicates Z: 59 48.244 2.345 0.654 0.541 0.914 0.483 CB 1.716 59 residues pruned to eliminate duplicates Z: 72 50.408 2.339 0.529 0.551 0.930 0.634 CB 1.713 72 residues pruned to eliminate duplicates Z: 55 45.241 2.287 0.586 0.593 0.944 0.648 CB 1.645 55 residues pruned to eliminate duplicates Z: 56 49.535 2.346 0.601 0.573 0.964 0.600 CB 1.719 56 residues pruned to eliminate duplicates Z: 74 48.956 2.297 0.512 0.544 0.959 0.685 CB 1.648 74 residues pruned to eliminate duplicates Z: 60 39.471 2.254 0.443 0.538 0.932 0.661 CB 1.632 60 residues pruned to eliminate duplicates Z: 92 45.175 2.229 0.475 0.516 0.923 0.615 CB 1.535 92 residues pruned to eliminate duplicates Z: 80 45.062 2.276 0.502 0.521 0.861 0.557 CB 1.689 80 residues pruned to eliminate duplicates Z: 33 26.956 2.230 0.331 0.544 0.906 0.562 CA 1.696 33 residues pruned to eliminate duplicates Z: 57 43.689 2.339 0.556 0.550 0.911 0.661 CB 1.677 57 residues pruned to eliminate duplicates Z: 55 42.800 2.326 0.585 0.545 0.926 0.574 CB 1.633 55 residues pruned to eliminate duplicates Z: 75 41.430 2.308 0.391 0.521 0.892 0.703 CB 1.647 75 residues pruned to eliminate duplicates Z: 52 48.327 2.401 0.556 0.598 0.941 0.686 CB 1.753 52 residues pruned to eliminate duplicates Z: 75 44.371 2.310 0.430 0.523 0.932 0.541 CB 1.638 75 residues pruned to eliminate duplicates Z: 54 46.085 2.390 0.536 0.580 0.925 0.679 CB 1.727 54 residues pruned to eliminate duplicates Z: 53 52.478 2.405 0.582 0.599 0.962 0.654 CB 1.810 53 residues pruned to eliminate duplicates Z: 54 48.298 2.400 0.606 0.557 0.925 0.566 CB 1.760 54 residues pruned to eliminate duplicates Z: 78 43.794 2.282 0.439 0.524 0.922 0.675 CB 1.610 78 residues pruned to eliminate duplicates Z: 55 46.065 2.369 0.571 0.574 0.944 0.611 CB 1.660 55 residues pruned to eliminate duplicates Z: 53 49.239 2.403 0.540 0.597 0.962 0.731 CB 1.749 53 residues pruned to eliminate duplicates Z: 61 51.053 2.345 0.710 0.550 0.900 0.600 CB 1.738 61 residues pruned to eliminate duplicates Z: 80 43.575 2.216 0.482 0.529 0.924 0.595 CB 1.569 80 residues pruned to eliminate duplicates Z: 54 41.408 2.299 0.569 0.572 0.887 0.623 CB 1.658 54 residues pruned to eliminate duplicates Z: 43 46.410 2.404 0.651 0.610 0.929 0.476 CB 1.750 43 residues pruned to eliminate duplicates Z: 73 43.206 2.326 0.467 0.507 0.917 0.653 CB 1.617 73 residues pruned to eliminate duplicates Z: 53 50.276 2.411 0.563 0.595 0.962 0.577 CB 1.758 53 residues pruned to eliminate duplicates Z: 50 47.718 2.364 0.661 0.574 0.939 0.531 CB 1.722 50 residues pruned to eliminate duplicates Z: 68 53.668 2.283 0.645 0.570 0.940 0.597 CB 1.735 68 residues pruned to eliminate duplicates Z: 14 32.693 2.394 0.599 0.885 1.000 0.923 CA 1.710 14 residues pruned to eliminate duplicates Z: 77 45.910 2.279 0.532 0.509 0.934 0.605 CB 1.600 77 residues pruned to eliminate duplicates Z: 53 51.481 2.414 0.630 0.604 0.942 0.615 CB 1.743 53 residues pruned to eliminate duplicates Z: 79 46.562 2.261 0.535 0.502 0.949 0.513 CB 1.597 79 residues pruned to eliminate duplicates Z: 56 46.926 2.367 0.576 0.551 0.945 0.618 CB 1.707 56 residues pruned to eliminate duplicates Z: 53 55.679 2.402 0.653 0.585 1.000 0.673 CB 1.791 53 residues pruned to eliminate duplicates Z: 70 40.426 2.225 0.475 0.522 0.899 0.565 CB 1.616 70 residues pruned to eliminate duplicates Z: 26 18.813 2.113 0.455 0.313 0.800 0.280 CB 1.881 26 residues pruned to eliminate duplicates Z: 54 51.058 2.405 0.689 0.576 0.925 0.547 CB 1.735 54 residues pruned to eliminate duplicates Z: 79 46.524 2.253 0.510 0.535 0.936 0.577 CB 1.599 79 residues pruned to eliminate duplicates Z: 34 43.043 2.444 0.466 0.615 1.000 0.667 CA 1.876 34 residues pruned to eliminate duplicates Z: 80 49.887 2.274 0.660 0.517 0.911 0.481 CB 1.605 80 residues pruned to eliminate duplicates Z: 54 50.609 2.363 0.689 0.572 0.962 0.547 CB 1.688 54 residues pruned to eliminate duplicates Z: 79 48.078 2.265 0.592 0.526 0.910 0.590 CB 1.616 79 residues pruned to eliminate duplicates Z: 59 46.393 2.374 0.542 0.561 0.931 0.638 CB 1.686 59 residues pruned to eliminate duplicates Z: 39 36.288 2.358 0.518 0.506 0.921 0.605 CA 1.776 39 residues pruned to eliminate duplicates Z: 92 43.527 2.214 0.437 0.502 0.912 0.637 CB 1.568 92 residues pruned to eliminate duplicates Z: 72 46.327 2.356 0.402 0.551 0.944 0.676 CB 1.679 72 residues pruned to eliminate duplicates Z: 21 12.172 2.067 0.166 0.438 0.900 0.600 CB 1.337 Z: 8 6.073 2.016 0.036 0.534 0.857 0.714 CB 1.240 8 residues pruned to eliminate duplicates Z: 21 10.959 2.091 0.144 0.417 0.850 0.550 CB 1.315 20 residues pruned to eliminate duplicates Z: 8 6.461 1.683 0.052 0.641 1.000 0.571 N 1.209 8 residues pruned to eliminate duplicates Z: 20 12.035 2.131 0.046 0.447 0.947 0.632 CB 1.381 21 residues pruned to eliminate duplicates Z: 8 7.761 1.810 0.057 0.605 1.000 0.714 CA 1.387 8 residues pruned to eliminate duplicates Z: 17 13.254 2.115 0.228 0.484 0.938 0.688 CB 1.382 16 residues pruned to eliminate duplicates Z: 6 8.160 1.822 0.168 0.773 1.000 1.000 CA 1.347 6 residues pruned to eliminate duplicates Z: 24 12.406 1.992 0.242 0.381 0.913 0.522 CB 1.300 24 residues pruned to eliminate duplicates Z: 72 50.340 2.350 0.548 0.531 0.958 0.577 CB 1.664 94 residues pruned to eliminate duplicates Z: 17 12.827 2.115 0.251 0.448 0.938 0.625 CB 1.364 Z: 13 24.080 2.105 0.624 0.858 1.000 0.750 CA 1.498 13 residues pruned to eliminate duplicates Z: 18 18.171 1.931 0.318 0.787 1.000 0.824 CB 1.346 18 residues pruned to eliminate duplicates Z: 14 21.332 2.083 0.480 0.754 1.000 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 13 24.045 2.108 0.648 0.870 1.000 0.667 CA 1.458 13 residues pruned to eliminate duplicates Z: 17 16.142 1.939 0.436 0.675 0.938 0.688 CB 1.316 17 residues pruned to eliminate duplicates Z: 15 22.497 1.995 0.686 0.745 1.000 0.786 CB 1.437 15 residues pruned to eliminate duplicates Z: 22 14.887 1.867 0.390 0.636 0.952 0.762 CB 1.157 17 residues pruned to eliminate duplicates Z: 13 22.524 2.142 0.553 0.894 0.917 0.583 CA 1.530 13 residues pruned to eliminate duplicates Z: 14 24.136 2.108 0.588 0.762 1.000 0.692 CB 1.585 14 residues pruned to eliminate duplicates Z: 15 18.603 2.040 0.587 0.707 0.929 0.643 CB 1.370 15 residues pruned to eliminate duplicates Z: 14 22.056 2.097 0.728 0.814 0.923 0.615 CB 1.392 14 residues pruned to eliminate duplicates Z: 15 20.279 2.030 0.667 0.815 0.857 0.571 CB 1.421 15 residues pruned to eliminate duplicates Z: 16 10.384 2.157 0.139 0.458 0.867 0.667 CB 1.314 16 residues pruned to eliminate duplicates Z: 17 12.949 2.167 0.371 0.422 0.812 0.500 CB 1.454 17 residues pruned to eliminate duplicates Z: 20 13.213 1.971 0.381 0.465 0.842 0.526 CB 1.371 20 residues pruned to eliminate duplicates Z: 19 11.697 2.049 0.388 0.395 0.833 0.556 CB 1.300 18 residues pruned to eliminate duplicates Z: 9 11.326 1.868 0.337 0.734 1.000 0.625 CB 1.299 9 residues pruned to eliminate duplicates Z: 13 9.484 1.836 0.152 0.642 0.833 0.667 CB 1.361 13 residues pruned to eliminate duplicates Z: 19 12.074 2.001 0.293 0.459 0.889 0.611 CB 1.290 19 residues pruned to eliminate duplicates Z: 17 15.243 2.099 0.441 0.486 0.875 0.625 CB 1.460 17 residues pruned to eliminate duplicates Z: 6 3.462 1.759 0.218 0.367 0.800 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 18 15.304 2.074 0.499 0.427 0.882 0.588 CB 1.461 18 residues pruned to eliminate duplicates Z: 20 11.146 1.982 0.390 0.357 0.842 0.737 CB 1.286 20 residues pruned to eliminate duplicates Z: 18 15.448 2.056 0.419 0.456 0.941 0.529 CB 1.428 18 residues pruned to eliminate duplicates Z: 19 13.385 2.071 0.493 0.420 0.833 0.556 CB 1.330 18 residues pruned to eliminate duplicates Z: 16 18.302 2.164 0.342 0.859 0.933 0.467 CB 1.283 Z: 19 29.481 2.213 0.559 0.930 1.000 0.556 CB 1.409 16 residues pruned to eliminate duplicates Z: 10 16.966 2.292 0.503 0.912 1.000 0.333 CB 1.163 10 residues pruned to eliminate duplicates Z: 18 26.385 2.276 0.508 0.913 0.941 0.647 CB 1.402 18 residues pruned to eliminate duplicates Z: 26 22.073 2.056 0.625 0.710 0.880 0.440 CB 1.241 25 residues pruned to eliminate duplicates Z: 20 24.490 2.221 0.309 0.936 1.000 0.579 CB 1.345 19 residues pruned to eliminate duplicates Z: 20 26.741 2.219 0.411 0.906 1.000 0.526 CB 1.393 20 residues pruned to eliminate duplicates Z: 45 27.917 2.042 0.483 0.616 0.932 0.727 CB 1.337 38 residues pruned to eliminate duplicates Z: 20 28.501 2.232 0.522 0.934 1.000 0.737 CB 1.343 20 residues pruned to eliminate duplicates Z: 27 30.447 2.178 0.666 0.673 0.923 0.654 CB 1.520 27 residues pruned to eliminate duplicates Z: 19 29.094 2.251 0.480 0.926 1.000 0.778 CB 1.443 19 residues pruned to eliminate duplicates Z: 25 19.820 1.946 0.563 0.701 0.958 0.667 CB 1.156 25 residues pruned to eliminate duplicates Z: 29 22.861 2.163 0.521 0.664 0.893 0.607 CB 1.264 29 residues pruned to eliminate duplicates Z: 16 21.049 2.215 0.426 0.604 0.933 0.733 CB 1.670 16 residues pruned to eliminate duplicates Z: 19 24.841 2.207 0.619 0.916 0.889 0.556 CB 1.302 19 residues pruned to eliminate duplicates Z: 20 26.080 2.228 0.594 0.930 1.000 0.632 CB 1.178 20 residues pruned to eliminate duplicates Z: 13 12.200 1.844 0.262 0.784 0.917 0.750 CB 1.286 13 residues pruned to eliminate duplicates Z: 8 7.675 1.799 0.262 0.617 1.000 0.714 CB 1.144 8 residues pruned to eliminate duplicates Z: 12 8.484 1.758 0.381 0.657 0.909 0.636 CB 1.001 11 residues pruned to eliminate duplicates Z: 14 14.535 1.838 0.264 0.899 1.000 0.923 CB 1.241 15 residues pruned to eliminate duplicates Z: 13 14.165 1.933 0.186 0.873 1.000 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 13 15.093 1.937 0.325 0.847 1.000 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 14 12.722 1.836 0.373 0.798 0.846 0.615 CB 1.274 14 residues pruned to eliminate duplicates Z: 14 13.706 1.839 0.530 0.811 0.846 0.615 CB 1.218 14 residues pruned to eliminate duplicates Z: 14 14.514 1.866 0.426 0.830 0.923 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 13 17.355 1.841 0.477 0.906 1.000 0.583 CB 1.311 12 residues pruned to eliminate duplicates Z: 13 12.839 1.803 0.381 0.887 0.917 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 14 12.714 1.972 0.301 0.528 0.846 0.308 CA 1.580 13 residues pruned to eliminate duplicates Z: 10 12.259 1.947 0.478 0.593 0.778 0.222 CA 1.670 10 residues pruned to eliminate duplicates Z: 8 12.006 2.203 0.266 0.597 0.857 0.571 CB 1.729 8 residues pruned to eliminate duplicates Z: 7 8.644 1.947 0.528 0.602 0.667 0.667 CA 1.614 7 residues pruned to eliminate duplicates Z: 13 11.426 1.876 0.567 0.474 0.750 0.500 CB 1.536 14 residues pruned to eliminate duplicates Z: 7 13.204 2.135 0.172 0.679 1.000 0.500 CB 1.827 7 residues pruned to eliminate duplicates Z: 15 15.432 1.989 0.552 0.499 0.857 0.571 CB 1.561 13 residues pruned to eliminate duplicates Z: 8 12.212 1.986 0.312 0.752 1.000 0.714 CB 1.414 8 residues pruned to eliminate duplicates Z: 7 14.982 2.252 0.059 0.888 1.000 1.000 CA 1.848 7 residues pruned to eliminate duplicates Z: 19 14.694 2.255 0.274 0.497 0.944 0.667 CB 1.280 19 residues pruned to eliminate duplicates Z: 37 24.472 2.034 0.448 0.555 0.972 0.722 CB 1.350 36 residues pruned to eliminate duplicates Z: 9 9.273 1.819 0.149 0.785 0.875 0.500 CB 1.395 9 residues pruned to eliminate duplicates Z: 21 19.921 2.139 0.644 0.533 0.950 0.750 CB 1.290 21 residues pruned to eliminate duplicates Z: 6 3.683 1.687 0.841 0.373 1.000 0.600 CA 0.608 6 residues pruned to eliminate duplicates Z: 19 23.639 2.215 0.626 0.529 0.944 0.556 CB 1.592 19 residues pruned to eliminate duplicates Z: 15 9.669 2.072 0.316 0.275 0.857 0.429 CB 1.427 15 residues pruned to eliminate duplicates Z: 21 21.624 2.109 0.476 0.535 0.950 0.700 CB 1.580 21 residues pruned to eliminate duplicates Z: 19 26.382 2.200 0.615 0.590 1.000 0.778 CB 1.606 19 residues pruned to eliminate duplicates Z: 22 22.499 2.077 0.564 0.477 0.952 0.571 CB 1.624 22 residues pruned to eliminate duplicates Z: 13 10.777 1.979 0.646 0.362 0.750 0.417 CA 1.476 13 residues pruned to eliminate duplicates Z: 11 11.999 2.079 0.702 0.431 0.800 0.500 CB 1.440 11 residues pruned to eliminate duplicates Z: 21 21.411 2.111 0.603 0.531 0.900 0.550 CB 1.525 21 residues pruned to eliminate duplicates Z: 21 20.784 2.123 0.640 0.495 0.900 0.550 CB 1.491 21 residues pruned to eliminate duplicates Z: 20 23.115 2.142 0.641 0.543 0.947 0.632 CB 1.527 20 residues pruned to eliminate duplicates Z: 9 18.792 2.179 0.688 0.669 1.000 0.875 CB 1.546 9 residues pruned to eliminate duplicates Z: 10 16.558 2.040 0.487 0.682 1.000 0.667 CB 1.539 10 residues pruned to eliminate duplicates Z: 22 21.058 2.048 0.554 0.526 0.952 0.571 CB 1.478 22 residues pruned to eliminate duplicates Z: 21 22.994 2.086 0.757 0.543 1.000 0.650 CB 1.345 21 residues pruned to eliminate duplicates Z: 12 14.950 1.803 0.830 0.619 0.909 0.455 CB 1.342 12 residues pruned to eliminate duplicates Z: 11 14.671 2.270 0.386 0.494 0.900 0.600 CA 1.649 11 residues pruned to eliminate duplicates Z: 6 3.035 1.588 0.147 0.403 0.800 0.600 CA 1.032 6 residues pruned to eliminate duplicates Z: 20 14.105 2.195 0.491 0.428 0.895 0.632 CB 1.190 20 residues pruned to eliminate duplicates Z: 11 13.574 2.314 0.408 0.371 1.000 0.900 CB 1.513 11 residues pruned to eliminate duplicates Z: 18 10.852 2.130 0.308 0.380 0.824 0.529 CB 1.303 18 residues pruned to eliminate duplicates Z: 11 10.583 2.131 0.381 0.301 0.900 0.200 CA 1.577 11 residues pruned to eliminate duplicates Z: 11 15.210 2.310 0.538 0.404 1.000 0.700 CB 1.498 11 residues pruned to eliminate duplicates Z: 20 18.189 2.201 0.415 0.460 1.000 0.474 CB 1.395 20 residues pruned to eliminate duplicates Z: 31 32.634 2.309 0.727 0.587 0.900 0.633 CB 1.527 31 residues pruned to eliminate duplicates Z: 65 49.353 2.360 0.586 0.596 0.891 0.609 CB 1.689 65 residues pruned to eliminate duplicates Z: 60 41.057 2.320 0.508 0.580 0.932 0.695 CB 1.517 60 residues pruned to eliminate duplicates Z: 51 46.486 2.386 0.604 0.613 0.940 0.740 CB 1.642 51 residues pruned to eliminate duplicates Z: 65 48.424 2.365 0.622 0.587 0.906 0.656 CB 1.602 65 residues pruned to eliminate duplicates Z: 59 43.554 2.353 0.509 0.577 0.897 0.690 CB 1.668 59 residues pruned to eliminate duplicates Z: 12 12.087 1.994 0.325 0.574 0.909 0.727 CB 1.413 12 residues pruned to eliminate duplicates Z: 57 45.130 2.313 0.577 0.577 0.911 0.679 CB 1.685 57 residues pruned to eliminate duplicates Z: 65 46.415 2.338 0.493 0.602 0.906 0.688 CB 1.664 65 residues pruned to eliminate duplicates Z: 23 16.272 2.085 0.481 0.399 0.864 0.500 CB 1.447 23 residues pruned to eliminate duplicates Z: 51 40.703 2.346 0.493 0.591 0.920 0.660 CB 1.636 51 residues pruned to eliminate duplicates Z: 55 37.062 2.375 0.439 0.581 0.870 0.574 CB 1.568 55 residues pruned to eliminate duplicates Z: 11 17.843 2.354 0.495 0.570 1.000 0.600 CB 1.499 11 residues pruned to eliminate duplicates Z: 55 45.543 2.322 0.595 0.616 0.944 0.556 CB 1.589 55 residues pruned to eliminate duplicates Z: 65 56.626 2.359 0.615 0.628 0.969 0.562 CB 1.700 65 residues pruned to eliminate duplicates Z: 51 38.284 2.329 0.529 0.580 0.880 0.620 CB 1.600 51 residues pruned to eliminate duplicates Z: 18 22.198 2.418 0.312 0.690 0.882 0.647 CB 1.616 18 residues pruned to eliminate duplicates Z: 68 42.068 2.393 0.515 0.570 0.881 0.642 CB 1.505 68 residues pruned to eliminate duplicates Z: 32 35.123 2.309 0.646 0.595 0.935 0.548 CB 1.621 32 residues pruned to eliminate duplicates Z: 30 30.677 2.339 0.482 0.575 0.966 0.586 CB 1.584 30 residues pruned to eliminate duplicates Z: 49 43.443 2.366 0.644 0.559 0.875 0.542 CB 1.739 49 residues pruned to eliminate duplicates Z: 31 31.625 2.302 0.675 0.580 0.967 0.567 CB 1.434 31 residues pruned to eliminate duplicates Z: 77 43.625 2.335 0.564 0.506 0.895 0.539 CB 1.523 77 residues pruned to eliminate duplicates Z: 78 49.189 2.369 0.570 0.516 0.935 0.558 CB 1.587 78 residues pruned to eliminate duplicates Z: 79 50.923 2.367 0.569 0.583 0.923 0.628 CB 1.553 79 residues pruned to eliminate duplicates Z: 55 48.230 2.395 0.585 0.589 0.944 0.556 CB 1.681 55 residues pruned to eliminate duplicates Z: 60 47.793 2.338 0.600 0.563 0.949 0.627 CB 1.649 60 residues pruned to eliminate duplicates Z: 53 39.635 2.324 0.639 0.557 0.885 0.481 CB 1.544 53 residues pruned to eliminate duplicates Z: 81 40.728 2.340 0.450 0.537 0.875 0.550 CB 1.479 81 residues pruned to eliminate duplicates Z: 49 47.632 2.423 0.730 0.607 0.896 0.542 CB 1.654 49 residues pruned to eliminate duplicates Z: 57 47.842 2.266 0.738 0.580 0.911 0.536 CB 1.651 57 residues pruned to eliminate duplicates Z: 52 35.509 2.383 0.482 0.511 0.902 0.647 CB 1.544 52 residues pruned to eliminate duplicates Z: 64 41.907 2.228 0.603 0.512 0.889 0.603 CB 1.644 64 residues pruned to eliminate duplicates Z: 54 49.487 2.362 0.693 0.605 0.887 0.585 CB 1.734 54 residues pruned to eliminate duplicates Z: 55 50.439 2.438 0.584 0.600 0.926 0.704 CB 1.746 55 residues pruned to eliminate duplicates Z: 65 52.380 2.378 0.621 0.597 0.922 0.734 CB 1.680 65 residues pruned to eliminate duplicates Z: 122 54.200 2.322 0.512 0.519 0.893 0.529 CB 1.542 122 residues pruned to eliminate duplicates Z: 126 54.675 2.347 0.486 0.534 0.856 0.544 CB 1.584 126 residues pruned to eliminate duplicates Z: 49 48.969 2.436 0.591 0.579 0.958 0.646 CB 1.763 49 residues pruned to eliminate duplicates Z: 59 43.884 2.358 0.465 0.550 0.931 0.638 CB 1.707 59 residues pruned to eliminate duplicates Z: 150 63.806 2.332 0.505 0.543 0.913 0.597 CB 1.564 150 residues pruned to eliminate duplicates Z: 72 42.305 2.370 0.458 0.522 0.915 0.592 CB 1.552 72 residues pruned to eliminate duplicates Z: 41 47.634 2.422 0.658 0.613 0.975 0.650 CB 1.728 41 residues pruned to eliminate duplicates Z: 63 50.918 2.411 0.665 0.572 0.952 0.565 CB 1.579 63 residues pruned to eliminate duplicates Z: 55 50.544 2.424 0.607 0.595 0.926 0.667 CB 1.742 55 residues pruned to eliminate duplicates Z: 32 34.792 2.408 0.568 0.533 0.903 0.484 CB 1.774 32 residues pruned to eliminate duplicates Z: 55 36.978 2.374 0.465 0.529 0.926 0.611 CB 1.520 55 residues pruned to eliminate duplicates Z: 71 46.881 2.386 0.632 0.530 0.900 0.614 CB 1.553 71 residues pruned to eliminate duplicates Z: 54 43.033 2.362 0.505 0.541 0.943 0.509 CB 1.694 54 residues pruned to eliminate duplicates Z: 48 17.680 2.248 0.256 0.413 0.723 0.511 CB 1.383 48 residues pruned to eliminate duplicates Z: 105 47.055 2.333 0.381 0.563 0.894 0.538 CB 1.507 105 residues pruned to eliminate duplicates Z: 29 19.979 2.317 0.444 0.463 0.929 0.500 CB 1.262 29 residues pruned to eliminate duplicates Z: 29 19.920 2.383 0.395 0.443 0.857 0.536 CB 1.401 29 residues pruned to eliminate duplicates Z: 28 15.563 2.258 0.484 0.418 0.852 0.556 CB 1.142 28 residues pruned to eliminate duplicates Z: 29 20.054 2.323 0.439 0.473 0.893 0.536 CB 1.305 29 residues pruned to eliminate duplicates Z: 54 53.330 2.433 0.730 0.590 0.962 0.453 CB 1.660 54 residues pruned to eliminate duplicates Z: 29 18.745 2.248 0.455 0.470 0.893 0.643 CB 1.251 29 residues pruned to eliminate duplicates Z: 13 25.933 2.252 1.092 0.672 0.917 0.750 CB 1.479 13 residues pruned to eliminate duplicates Z: 15 18.713 2.211 0.711 0.552 0.929 0.714 CB 1.353 15 residues pruned to eliminate duplicates Z: 52 37.235 2.382 0.546 0.518 0.941 0.627 CB 1.477 52 residues pruned to eliminate duplicates Z: 47 33.737 2.369 0.531 0.503 0.913 0.478 CB 1.498 47 residues pruned to eliminate duplicates Z: 26 17.669 2.381 0.513 0.447 0.800 0.640 CB 1.295 26 residues pruned to eliminate duplicates Z: 26 16.705 2.288 0.485 0.400 0.840 0.600 CB 1.301 26 residues pruned to eliminate duplicates Z: 47 39.334 2.422 0.567 0.518 0.935 0.543 CB 1.605 47 residues pruned to eliminate duplicates Z: 79 53.323 2.379 0.594 0.555 0.949 0.641 CB 1.591 79 residues pruned to eliminate duplicates Z: 19 9.467 2.179 0.077 0.451 0.944 0.444 CB 1.058 19 residues pruned to eliminate duplicates Z: 29 17.224 2.326 0.346 0.438 0.893 0.500 CB 1.241 29 residues pruned to eliminate duplicates Z: 75 41.830 2.368 0.516 0.494 0.892 0.527 CB 1.527 75 residues pruned to eliminate duplicates Z: 96 48.128 2.338 0.535 0.482 0.895 0.505 CB 1.566 96 residues pruned to eliminate duplicates Z: 30 15.000 2.284 0.243 0.404 0.862 0.517 CB 1.260 30 residues pruned to eliminate duplicates Z: 81 46.179 2.352 0.525 0.542 0.887 0.613 CB 1.557 81 residues pruned to eliminate duplicates Z: 52 32.482 2.328 0.525 0.491 0.882 0.529 CB 1.466 52 residues pruned to eliminate duplicates Z: 15 9.188 2.120 0.224 0.488 0.857 0.500 CB 1.117 15 residues pruned to eliminate duplicates Z: 61 34.105 2.338 0.399 0.563 0.817 0.550 CB 1.551 61 residues pruned to eliminate duplicates Z: 10 11.835 2.287 0.258 0.528 1.000 0.444 CB 1.333 10 residues pruned to eliminate duplicates Z: 7 10.192 1.799 0.710 0.633 1.000 0.333 CB 1.194 7 residues pruned to eliminate duplicates Z: 26 19.350 1.894 0.288 0.666 1.000 0.840 CB 1.360 26 residues pruned to eliminate duplicates Z: 38 28.164 1.994 0.813 0.598 0.973 0.378 CB 1.199 83 residues pruned to eliminate duplicates Z: 16 15.757 2.106 0.234 0.728 1.000 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 16 16.021 2.121 0.329 0.723 1.000 0.800 CB 1.200 16 residues pruned to eliminate duplicates Z: 16 17.064 2.145 0.459 0.719 0.933 0.533 CB 1.238 16 residues pruned to eliminate duplicates Z: 15 21.102 2.062 0.741 0.831 1.000 0.714 CB 1.180 15 residues pruned to eliminate duplicates Z: 14 15.582 2.131 0.309 0.843 0.923 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 15 14.855 2.157 0.097 0.804 1.000 0.857 CB 1.286 15 residues pruned to eliminate duplicates Z: 13 14.752 2.142 0.186 0.809 1.000 0.833 CB 1.281 13 residues pruned to eliminate duplicates Z: 15 18.357 2.144 0.386 0.768 1.000 0.786 CB 1.302 15 residues pruned to eliminate duplicates Z: 15 17.430 2.169 0.348 0.781 0.929 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 17 16.061 2.031 0.432 0.676 0.938 0.625 CB 1.253 17 residues pruned to eliminate duplicates Z: 16 18.996 2.148 0.542 0.721 1.000 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 15 19.816 2.182 0.457 0.807 1.000 0.786 CB 1.274 15 residues pruned to eliminate duplicates Z: 16 17.611 2.070 0.488 0.751 0.933 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 25 18.607 2.112 0.483 0.417 0.958 0.500 CB 1.379 25 residues pruned to eliminate duplicates Z: 26 21.434 2.145 0.504 0.428 0.960 0.480 CB 1.491 26 residues pruned to eliminate duplicates Z: 15 15.666 2.138 0.560 0.554 0.857 0.714 CB 1.389 15 residues pruned to eliminate duplicates Z: 10 13.639 2.047 0.537 0.667 0.889 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 29 16.540 2.036 0.502 0.379 0.893 0.464 CB 1.303 29 residues pruned to eliminate duplicates Z: 27 20.660 2.092 0.546 0.445 0.962 0.500 CB 1.379 27 residues pruned to eliminate duplicates Z: 25 21.082 2.169 0.541 0.438 0.958 0.542 CB 1.432 25 residues pruned to eliminate duplicates Z: 26 17.841 2.116 0.478 0.373 0.920 0.440 CB 1.421 26 residues pruned to eliminate duplicates Z: 25 16.112 2.127 0.438 0.418 0.875 0.458 CB 1.340 25 residues pruned to eliminate duplicates Z: 25 18.310 2.126 0.464 0.448 0.917 0.583 CB 1.382 25 residues pruned to eliminate duplicates Z: 25 18.231 2.141 0.413 0.419 0.917 0.500 CB 1.461 25 residues pruned to eliminate duplicates Z: 26 18.946 2.125 0.426 0.436 0.960 0.480 CB 1.393 26 residues pruned to eliminate duplicates Z: 28 18.088 2.055 0.533 0.387 0.963 0.444 CB 1.294 28 residues pruned to eliminate duplicates Z: 26 15.178 2.110 0.412 0.371 0.880 0.640 CB 1.329 26 residues pruned to eliminate duplicates Z: 25 15.212 2.130 0.475 0.384 0.833 0.333 CB 1.343 25 residues pruned to eliminate duplicates Z: 7 4.530 1.732 0.171 0.526 0.667 0.333 CA 1.333 7 residues pruned to eliminate duplicates Z: 26 18.214 2.148 0.471 0.383 0.920 0.560 CB 1.419 26 residues pruned to eliminate duplicates Z: 6 5.765 1.984 0.445 0.291 0.800 0.200 CA 1.420 6 residues pruned to eliminate duplicates Z: 50 34.925 2.359 0.503 0.540 0.837 0.531 CB 1.617 50 residues pruned to eliminate duplicates Z: 39 32.591 2.274 0.468 0.584 0.868 0.500 CB 1.682 39 residues pruned to eliminate duplicates Z: 11 8.177 2.072 0.766 0.329 0.700 0.500 CB 1.217 11 residues pruned to eliminate duplicates Z: 78 45.735 2.351 0.424 0.570 0.909 0.649 CB 1.600 78 residues pruned to eliminate duplicates Z: 45 24.925 2.284 0.422 0.445 0.909 0.523 CB 1.346 45 residues pruned to eliminate duplicates Z: 14 15.189 2.280 0.559 0.438 0.769 0.538 CA 1.642 14 residues pruned to eliminate duplicates Z: 88 48.103 2.335 0.617 0.500 0.897 0.540 CB 1.524 88 residues pruned to eliminate duplicates Z: 48 30.825 2.294 0.337 0.573 0.851 0.617 CB 1.605 48 residues pruned to eliminate duplicates Z: 21 15.301 2.193 0.255 0.464 0.850 0.600 CB 1.517 21 residues pruned to eliminate duplicates Z: 20 15.513 2.245 0.300 0.463 0.842 0.421 CB 1.504 20 residues pruned to eliminate duplicates Z: 48 39.758 2.403 0.479 0.608 0.872 0.532 CB 1.688 48 residues pruned to eliminate duplicates Z: 75 46.380 2.375 0.375 0.609 0.892 0.608 CB 1.669 75 residues pruned to eliminate duplicates Z: 50 36.693 2.336 0.504 0.607 0.857 0.490 CB 1.572 50 residues pruned to eliminate duplicates Z: 48 36.537 2.385 0.446 0.597 0.851 0.574 CB 1.655 48 residues pruned to eliminate duplicates Z: 90 45.314 2.366 0.444 0.583 0.865 0.539 CB 1.501 90 residues pruned to eliminate duplicates Z: 37 38.246 2.414 0.550 0.673 0.889 0.611 CB 1.634 37 residues pruned to eliminate duplicates Z: 78 44.717 2.337 0.407 0.610 0.896 0.675 CB 1.558 78 residues pruned to eliminate duplicates Z: 64 44.260 2.361 0.391 0.627 0.937 0.619 CB 1.609 64 residues pruned to eliminate duplicates Z: 118 60.911 2.376 0.551 0.557 0.923 0.573 CB 1.566 118 residues pruned to eliminate duplicates Z: 51 32.899 2.316 0.475 0.547 0.900 0.540 CB 1.446 51 residues pruned to eliminate duplicates Z: 63 41.076 2.358 0.430 0.608 0.871 0.565 CB 1.604 63 residues pruned to eliminate duplicates Z: 50 44.459 2.396 0.501 0.642 0.939 0.551 CB 1.648 50 residues pruned to eliminate duplicates Z: 65 52.995 2.381 0.589 0.653 0.969 0.625 CB 1.566 65 residues pruned to eliminate duplicates Z: 64 48.558 2.375 0.525 0.632 0.952 0.524 CB 1.567 64 residues pruned to eliminate duplicates Z: 42 29.815 2.204 0.516 0.630 0.854 0.341 CB 1.445 42 residues pruned to eliminate duplicates Z: 79 45.841 2.336 0.504 0.596 0.872 0.538 CB 1.547 79 residues pruned to eliminate duplicates Z: 63 45.447 2.381 0.464 0.654 0.919 0.629 CB 1.561 63 residues pruned to eliminate duplicates Z: 78 47.833 2.356 0.457 0.596 0.896 0.571 CB 1.617 78 residues pruned to eliminate duplicates Z: 65 44.262 2.357 0.428 0.648 0.938 0.594 CB 1.527 65 residues pruned to eliminate duplicates Z: 148 68.586 2.372 0.566 0.563 0.932 0.537 CB 1.538 148 residues pruned to eliminate duplicates Z: 36 37.036 2.394 0.510 0.699 0.943 0.400 CB 1.533 36 residues pruned to eliminate duplicates Z: 107 53.546 2.341 0.568 0.548 0.915 0.500 CB 1.476 107 residues pruned to eliminate duplicates Z: 77 49.737 2.345 0.523 0.597 0.908 0.566 CB 1.604 77 residues pruned to eliminate duplicates Z: 55 37.348 2.328 0.535 0.568 0.852 0.444 CB 1.563 55 residues pruned to eliminate duplicates Z: 29 39.134 2.414 0.851 0.713 0.893 0.393 CB 1.528 29 residues pruned to eliminate duplicates Z: 37 39.378 2.404 0.577 0.658 0.889 0.556 CB 1.683 37 residues pruned to eliminate duplicates Z: 52 38.707 2.335 0.533 0.570 0.863 0.490 CB 1.640 52 residues pruned to eliminate duplicates Z: 78 45.944 2.349 0.414 0.588 0.922 0.584 CB 1.572 78 residues pruned to eliminate duplicates Z: 53 42.236 2.307 0.594 0.574 0.885 0.481 CB 1.677 53 residues pruned to eliminate duplicates Z: 39 29.991 2.364 0.369 0.539 0.921 0.632 CB 1.571 39 residues pruned to eliminate duplicates Z: 39 30.102 2.337 0.365 0.540 0.974 0.579 CB 1.513 39 residues pruned to eliminate duplicates Z: 11 17.597 2.335 0.595 0.500 1.000 0.700 CB 1.495 11 residues pruned to eliminate duplicates Z: 56 43.227 2.365 0.565 0.644 0.891 0.618 CB 1.546 56 residues pruned to eliminate duplicates Z: 72 42.178 2.259 0.538 0.608 0.873 0.592 CB 1.489 72 residues pruned to eliminate duplicates Z: 64 44.396 2.366 0.525 0.614 0.905 0.524 CB 1.538 64 residues pruned to eliminate duplicates Z: 56 41.771 2.346 0.511 0.622 0.909 0.636 CB 1.557 56 residues pruned to eliminate duplicates Z: 72 36.895 2.309 0.532 0.515 0.873 0.465 CB 1.396 72 residues pruned to eliminate duplicates Z: 73 43.153 2.319 0.463 0.572 0.917 0.611 CB 1.525 73 residues pruned to eliminate duplicates Z: 69 42.065 2.305 0.529 0.602 0.868 0.500 CB 1.514 69 residues pruned to eliminate duplicates Z: 65 45.875 2.373 0.485 0.644 0.938 0.609 CB 1.516 65 residues pruned to eliminate duplicates Z: 65 45.756 2.351 0.516 0.613 0.906 0.500 CB 1.591 65 residues pruned to eliminate duplicates Z: 40 30.572 2.349 0.414 0.536 0.949 0.615 CB 1.499 40 residues pruned to eliminate duplicates Z: 78 49.491 2.366 0.509 0.606 0.909 0.545 CB 1.571 78 residues pruned to eliminate duplicates Z: 149 68.845 2.366 0.548 0.571 0.926 0.581 CB 1.559 149 residues pruned to eliminate duplicates Z: 30 23.926 2.288 0.209 0.573 0.966 0.759 CB 1.550 30 residues pruned to eliminate duplicates Z: 49 45.550 2.379 0.650 0.697 0.938 0.542 CB 1.493 49 residues pruned to eliminate duplicates Z: 77 52.393 2.379 0.605 0.619 0.895 0.632 CB 1.572 77 residues pruned to eliminate duplicates Z: 79 50.566 2.330 0.615 0.598 0.923 0.526 CB 1.502 79 residues pruned to eliminate duplicates Z: 57 47.327 2.374 0.607 0.642 0.946 0.643 CB 1.534 57 residues pruned to eliminate duplicates Z: 95 47.458 2.317 0.488 0.575 0.915 0.447 CB 1.444 95 residues pruned to eliminate duplicates Z: 70 48.657 2.344 0.557 0.639 0.928 0.565 CB 1.519 70 residues pruned to eliminate duplicates Z: 40 29.721 2.333 0.422 0.571 0.923 0.667 CB 1.452 40 residues pruned to eliminate duplicates Z: 79 51.370 2.324 0.646 0.580 0.936 0.449 CB 1.504 79 residues pruned to eliminate duplicates Z: 35 35.935 2.349 0.704 0.596 0.971 0.588 CB 1.448 35 residues pruned to eliminate duplicates Z: 78 53.176 2.355 0.646 0.612 0.922 0.506 CB 1.524 78 residues pruned to eliminate duplicates Z: 76 53.445 2.386 0.587 0.617 0.907 0.560 CB 1.609 76 residues pruned to eliminate duplicates Z: 73 50.985 2.347 0.625 0.628 0.931 0.583 CB 1.501 73 residues pruned to eliminate duplicates Z: 55 57.081 2.400 0.724 0.709 0.981 0.574 CB 1.582 55 residues pruned to eliminate duplicates Z: 67 53.856 2.376 0.652 0.657 0.955 0.545 CB 1.529 67 residues pruned to eliminate duplicates Z: 34 35.712 2.354 0.635 0.613 1.000 0.606 CB 1.452 34 residues pruned to eliminate duplicates Z: 30 32.411 2.286 0.664 0.594 1.000 0.655 CB 1.447 30 residues pruned to eliminate duplicates Z: 19 14.565 1.894 0.612 0.504 0.889 0.500 CB 1.260 19 residues pruned to eliminate duplicates Z: 19 15.310 1.902 0.532 0.543 0.944 0.556 CB 1.257 17 residues pruned to eliminate duplicates Z: 9 15.287 2.080 0.884 0.579 0.875 0.500 CA 1.460 10 residues pruned to eliminate duplicates Z: 8 10.701 2.101 0.629 0.571 0.857 0.429 CB 1.288 8 residues pruned to eliminate duplicates Z: 18 16.224 1.944 0.589 0.502 0.941 0.529 CB 1.350 18 residues pruned to eliminate duplicates Z: 18 14.887 1.951 0.543 0.504 0.941 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 19 12.898 1.866 0.476 0.531 0.889 0.500 CB 1.205 19 residues pruned to eliminate duplicates Z: 7 16.210 2.279 0.559 0.646 1.000 0.500 CB 1.625 7 residues pruned to eliminate duplicates Z: 10 19.355 2.270 0.444 0.710 1.000 0.778 CA 1.626 10 residues pruned to eliminate duplicates Z: 6 4.008 1.400 0.665 0.386 1.000 0.800 N 0.868 6 residues pruned to eliminate duplicates Z: 35 24.604 2.208 0.507 0.542 0.882 0.647 CB 1.379 35 residues pruned to eliminate duplicates Z: 10 15.826 2.223 0.304 0.738 0.889 0.889 CA 1.653 10 residues pruned to eliminate duplicates Z: 14 13.464 1.898 0.287 0.590 1.000 0.692 CA 1.402 14 residues pruned to eliminate duplicates 421 residues left after pruning, divided into chains as follows: A: 6 B: 151 C: 15 D: 17 E: 14 F: 15 G: 39 H: 15 I: 37 J: 18 K: 94 CC for partial structure against native data = 29.43 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.482, Connect. = 0.744 for dens.mod. cycle 1 = 0.299, Contrast = 0.534, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.671, Connect. = 0.799 for dens.mod. cycle 3 = 0.299, Contrast = 0.683, Connect. = 0.801 for dens.mod. cycle 4 = 0.299, Contrast = 0.696, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.702, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.709, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.714, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.717, Connect. = 0.809 for dens.mod. cycle 9 = 0.299, Contrast = 0.721, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2872 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 562 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 24.059 2.318 0.306 0.897 1.000 1.000 CB 1.642 B: 15 40.779 2.421 0.738 0.943 0.929 0.500 CB 1.933 C: 14 36.728 2.465 0.719 0.881 1.000 0.846 CB 1.740 D: 21 50.244 2.396 0.904 0.941 1.000 0.650 CB 1.709 15 residues pruned to eliminate duplicates E: 12 20.761 2.414 0.105 0.864 1.000 0.727 CA 1.720 F: 14 40.481 2.490 0.857 0.899 1.000 0.615 CB 1.736 14 residues pruned to eliminate duplicates G: 64 42.711 2.331 0.351 0.575 0.952 0.603 CB 1.670 25 residues pruned to eliminate duplicates H: 21 19.653 2.234 0.497 0.450 0.900 0.550 CB 1.537 I: 8 13.709 2.027 0.110 0.814 1.000 0.857 CA 1.753 J: 17 29.380 2.134 0.748 0.913 1.000 0.688 CB 1.394 K: 14 30.361 2.429 0.544 0.846 1.000 0.462 CA 1.667 14 residues pruned to eliminate duplicates L: 14 27.719 2.291 0.391 0.858 1.000 1.000 CA 1.777 M: 12 19.602 2.145 0.236 0.930 1.000 1.000 CA 1.559 12 residues pruned to eliminate duplicates N: 19 29.363 2.358 0.647 0.728 0.889 0.667 CB 1.633 15 residues pruned to eliminate duplicates O: 14 19.595 2.059 0.177 0.865 1.000 1.000 CA 1.642 P: 6 5.508 1.694 0.811 0.573 0.800 0.600 CB 0.935 6 residues pruned to eliminate duplicates Q: 17 16.328 2.185 0.518 0.449 0.812 0.688 CB 1.596 R: 16 25.035 2.382 0.356 0.827 0.867 0.733 CB 1.741 15 residues pruned to eliminate duplicates S: 14 12.742 2.091 0.323 0.560 0.846 0.538 CB 1.424 14 residues pruned to eliminate duplicates T: 84 52.941 2.406 0.599 0.531 0.904 0.627 CB 1.622 33 residues pruned to eliminate duplicates U: 153 68.359 2.396 0.414 0.578 0.908 0.579 CB 1.672 122 residues pruned to eliminate duplicates V: 21 44.085 2.335 0.632 0.944 1.000 0.500 CB 1.792 21 residues pruned to eliminate duplicates W: 20 37.774 2.319 0.717 0.905 0.895 0.474 CB 1.730 20 residues pruned to eliminate duplicates X: 14 11.103 2.029 0.266 0.460 0.923 0.615 CB 1.352 13 residues pruned to eliminate duplicates Y: 22 39.221 2.332 0.487 0.937 0.952 0.810 CB 1.804 22 residues pruned to eliminate duplicates Z: 9 8.454 2.091 0.155 0.362 0.875 0.625 CB 1.642 9 residues pruned to eliminate duplicates Z: 8 11.207 1.982 0.150 0.860 0.857 0.857 CA 1.595 8 residues pruned to eliminate duplicates Z: 10 7.363 1.994 0.076 0.436 0.778 0.444 C 1.571 10 residues pruned to eliminate duplicates Z: 16 31.273 2.240 0.833 0.874 0.933 0.667 CA 1.534 16 residues pruned to eliminate duplicates Z: 13 16.129 2.435 0.305 0.535 0.917 0.583 CB 1.545 13 residues pruned to eliminate duplicates Z: 18 21.958 1.991 0.550 0.850 1.000 0.882 CB 1.278 18 residues pruned to eliminate duplicates Z: 13 13.188 2.067 0.448 0.590 0.833 0.500 CB 1.401 13 residues pruned to eliminate duplicates Z: 13 36.128 2.450 0.763 0.773 1.000 0.500 CB 1.898 13 residues pruned to eliminate duplicates Z: 14 35.908 2.385 0.947 0.907 1.000 1.000 CB 1.524 14 residues pruned to eliminate duplicates Z: 6 7.113 2.198 -0.083 0.799 0.800 0.600 CB 1.519 Z: 10 17.308 2.072 0.443 0.918 1.000 0.667 CB 1.360 Z: 58 49.670 2.369 0.518 0.560 0.965 0.544 CB 1.788 60 residues pruned to eliminate duplicates Z: 20 21.686 2.307 0.405 0.542 0.895 0.737 CB 1.647 21 residues pruned to eliminate duplicates Z: 21 38.522 2.290 0.395 0.950 1.000 0.900 CB 1.860 21 residues pruned to eliminate duplicates Z: 16 16.974 2.031 0.419 0.874 0.933 0.667 CB 1.186 11 residues pruned to eliminate duplicates Z: 13 18.760 2.309 0.267 0.777 0.917 0.667 CB 1.582 13 residues pruned to eliminate duplicates Z: 15 17.198 2.043 0.185 0.919 1.000 0.786 CB 1.338 14 residues pruned to eliminate duplicates Z: 12 30.784 2.288 0.590 0.905 1.000 0.909 CA 1.816 12 residues pruned to eliminate duplicates Z: 15 18.598 2.042 0.498 0.888 1.000 0.857 CB 1.171 16 residues pruned to eliminate duplicates Z: 22 39.644 2.272 0.595 0.931 0.952 0.762 CB 1.751 22 residues pruned to eliminate duplicates Z: 7 17.033 2.136 0.850 0.613 1.000 0.500 CB 1.581 6 residues pruned to eliminate duplicates Z: 8 13.253 1.999 0.240 0.879 1.000 0.857 CB 1.465 8 residues pruned to eliminate duplicates Z: 12 31.754 2.279 0.783 0.913 1.000 0.818 CB 1.668 12 residues pruned to eliminate duplicates Z: 15 18.741 1.963 0.330 0.844 1.000 0.714 CA 1.427 15 residues pruned to eliminate duplicates Z: 11 16.703 2.325 0.323 0.685 0.800 0.700 CA 1.811 10 residues pruned to eliminate duplicates Z: 20 18.325 2.183 0.518 0.469 0.895 0.684 CB 1.464 Z: 38 24.777 2.099 0.344 0.558 0.973 0.622 CB 1.402 26 residues pruned to eliminate duplicates Z: 14 30.989 2.304 0.557 0.846 1.000 0.769 CA 1.780 14 residues pruned to eliminate duplicates Z: 61 42.580 2.286 0.591 0.516 0.867 0.517 CA 1.716 58 residues pruned to eliminate duplicates Z: 15 25.974 2.319 0.611 0.801 0.929 0.500 CA 1.537 15 residues pruned to eliminate duplicates Z: 20 47.084 2.391 0.754 0.925 1.000 0.789 CB 1.807 20 residues pruned to eliminate duplicates Z: 15 29.668 2.264 0.527 0.896 0.929 0.714 CB 1.769 15 residues pruned to eliminate duplicates Z: 36 34.070 2.348 0.410 0.567 0.914 0.571 CA 1.783 36 residues pruned to eliminate duplicates Z: 153 77.505 2.399 0.594 0.583 0.921 0.546 CB 1.649 154 residues pruned to eliminate duplicates Z: 8 15.097 1.956 0.571 0.835 0.857 0.857 N 1.623 8 residues pruned to eliminate duplicates Z: 8 11.565 1.950 0.227 0.677 1.000 0.714 CB 1.551 Z: 65 39.992 2.209 0.551 0.524 0.922 0.531 CB 1.546 55 residues pruned to eliminate duplicates Z: 10 9.323 1.855 0.197 0.700 0.778 0.556 CA 1.498 10 residues pruned to eliminate duplicates Z: 7 15.810 2.261 0.062 0.889 1.000 1.000 CA 1.936 7 residues pruned to eliminate duplicates Z: 17 25.622 2.103 0.607 0.901 1.000 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 17 34.392 2.332 0.539 0.906 0.938 0.625 CB 1.817 17 residues pruned to eliminate duplicates Z: 13 45.831 2.458 1.085 0.856 1.000 0.667 CB 1.904 13 residues pruned to eliminate duplicates Z: 15 34.167 2.358 0.752 0.891 1.000 0.929 CA 1.589 15 residues pruned to eliminate duplicates Z: 67 40.206 2.220 0.550 0.550 0.894 0.561 CB 1.532 67 residues pruned to eliminate duplicates Z: 13 19.304 2.150 0.220 0.867 1.000 0.917 CA 1.553 13 residues pruned to eliminate duplicates Z: 15 18.171 2.104 0.314 0.813 1.000 0.714 CB 1.338 Z: 58 45.572 2.295 0.597 0.539 0.965 0.579 CB 1.644 70 residues pruned to eliminate duplicates Z: 67 46.503 2.372 0.466 0.572 0.909 0.606 CB 1.689 67 residues pruned to eliminate duplicates Z: 38 36.222 2.415 0.341 0.695 0.946 0.676 CB 1.626 38 residues pruned to eliminate duplicates Z: 9 12.833 1.843 0.538 0.732 0.875 0.750 CA 1.484 9 residues pruned to eliminate duplicates Z: 118 61.108 2.415 0.474 0.553 0.915 0.581 CB 1.648 118 residues pruned to eliminate duplicates Z: 22 41.064 2.299 0.586 0.921 1.000 0.762 CB 1.730 22 residues pruned to eliminate duplicates Z: 15 34.582 2.216 1.002 0.843 0.929 0.714 CB 1.670 15 residues pruned to eliminate duplicates Z: 73 47.515 2.373 0.620 0.542 0.889 0.653 CB 1.574 73 residues pruned to eliminate duplicates Z: 7 8.695 1.621 0.241 0.786 1.000 0.833 CB 1.373 Z: 21 26.448 2.085 0.605 0.685 0.950 0.500 CB 1.569 14 residues pruned to eliminate duplicates Z: 13 32.515 2.456 0.578 0.899 1.000 1.000 CB 1.731 13 residues pruned to eliminate duplicates Z: 28 29.103 2.092 0.628 0.688 1.000 0.667 CB 1.384 29 residues pruned to eliminate duplicates Z: 10 16.921 2.210 0.348 0.797 0.889 0.556 CB 1.642 10 residues pruned to eliminate duplicates Z: 8 16.037 2.066 0.463 0.860 0.857 0.571 CA 1.721 8 residues pruned to eliminate duplicates Z: 12 21.277 2.009 0.658 0.884 1.000 0.455 CB 1.392 Z: 20 34.590 2.180 0.630 0.847 0.947 0.684 CA 1.750 20 residues pruned to eliminate duplicates Z: 9 10.020 1.855 0.118 0.869 1.000 0.750 CB 1.248 Z: 29 18.894 2.314 0.314 0.423 0.929 0.536 CB 1.369 29 residues pruned to eliminate duplicates Z: 75 46.169 2.386 0.526 0.506 0.932 0.568 CB 1.571 75 residues pruned to eliminate duplicates Z: 14 17.387 2.007 0.307 0.910 1.000 0.692 CB 1.303 14 residues pruned to eliminate duplicates Z: 23 17.180 2.079 0.439 0.492 0.864 0.545 CB 1.429 22 residues pruned to eliminate duplicates Z: 10 20.880 2.329 0.482 0.670 1.000 0.778 CA 1.724 10 residues pruned to eliminate duplicates Z: 85 51.475 2.380 0.502 0.532 0.952 0.560 CB 1.598 85 residues pruned to eliminate duplicates Z: 13 12.614 1.877 0.617 0.655 0.833 0.667 CB 1.247 12 residues pruned to eliminate duplicates Z: 8 9.727 1.964 0.180 0.874 1.000 1.000 CB 1.154 8 residues pruned to eliminate duplicates Z: 7 10.205 1.971 0.239 0.828 0.833 0.667 CB 1.542 7 residues pruned to eliminate duplicates Z: 7 10.653 2.119 0.082 0.802 0.833 0.500 CB 1.749 7 residues pruned to eliminate duplicates Z: 20 18.621 2.216 0.414 0.470 0.947 0.579 CB 1.484 20 residues pruned to eliminate duplicates Z: 9 14.063 2.093 0.233 0.800 0.875 0.500 N 1.695 9 residues pruned to eliminate duplicates Z: 12 26.221 2.372 0.432 0.908 1.000 0.909 CB 1.653 12 residues pruned to eliminate duplicates Z: 10 16.108 2.072 0.489 0.832 0.889 0.556 CB 1.470 10 residues pruned to eliminate duplicates Z: 7 13.937 2.008 0.356 0.860 1.000 0.667 O 1.536 7 residues pruned to eliminate duplicates Z: 13 29.670 2.300 0.886 0.889 0.833 0.667 CB 1.706 13 residues pruned to eliminate duplicates Z: 17 22.373 2.125 0.258 0.896 1.000 1.000 CB 1.498 17 residues pruned to eliminate duplicates Z: 13 14.559 2.085 0.146 0.929 1.000 0.917 CB 1.231 13 residues pruned to eliminate duplicates Z: 10 16.714 2.057 0.781 0.654 0.889 0.556 CA 1.482 9 residues pruned to eliminate duplicates Z: 15 15.993 2.335 0.016 0.787 0.929 0.714 CA 1.507 15 residues pruned to eliminate duplicates Z: 61 52.353 2.377 0.522 0.674 0.983 0.550 CB 1.617 59 residues pruned to eliminate duplicates Z: 60 49.495 2.341 0.559 0.594 0.949 0.542 CB 1.701 60 residues pruned to eliminate duplicates Z: 43 23.952 2.037 0.310 0.556 1.000 0.786 CB 1.311 43 residues pruned to eliminate duplicates Z: 15 35.611 2.307 0.819 0.922 1.000 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 11 24.349 2.283 0.864 0.887 0.800 0.700 CB 1.631 11 residues pruned to eliminate duplicates Z: 14 20.931 2.179 0.476 0.865 1.000 0.769 CB 1.323 14 residues pruned to eliminate duplicates Z: 14 21.573 2.358 0.187 0.851 1.000 0.692 CA 1.583 14 residues pruned to eliminate duplicates Z: 22 22.647 2.134 0.638 0.533 0.857 0.667 CB 1.598 22 residues pruned to eliminate duplicates Z: 8 10.310 1.860 0.203 0.758 0.857 0.857 N 1.615 8 residues pruned to eliminate duplicates Z: 13 18.390 2.166 0.258 0.852 0.917 0.750 CB 1.572 13 residues pruned to eliminate duplicates Z: 12 14.211 2.019 0.538 0.720 0.909 0.727 CA 1.244 11 residues pruned to eliminate duplicates Z: 60 44.644 2.330 0.496 0.566 0.915 0.559 CB 1.709 60 residues pruned to eliminate duplicates Z: 17 29.785 2.120 0.889 0.901 1.000 0.688 CB 1.328 17 residues pruned to eliminate duplicates Z: 12 14.444 2.043 0.503 0.585 1.000 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 14 23.647 2.224 0.549 0.842 1.000 0.769 CB 1.419 14 residues pruned to eliminate duplicates Z: 15 9.411 1.718 0.258 0.846 0.857 0.643 CB 1.009 Z: 9 9.821 2.161 0.273 0.661 0.750 0.500 CB 1.450 9 residues pruned to eliminate duplicates Z: 13 37.942 2.444 0.802 0.905 1.000 1.000 CA 1.771 13 residues pruned to eliminate duplicates Z: 19 34.425 2.238 0.666 0.880 0.944 0.556 CB 1.669 19 residues pruned to eliminate duplicates Z: 16 34.577 2.232 0.772 0.911 1.000 0.600 CB 1.600 23 residues pruned to eliminate duplicates Z: 13 18.711 1.919 0.743 0.861 0.917 0.500 CB 1.295 13 residues pruned to eliminate duplicates Z: 66 53.320 2.324 0.655 0.574 0.954 0.662 CB 1.678 66 residues pruned to eliminate duplicates Z: 8 15.368 2.201 0.597 0.829 0.857 0.714 CB 1.450 10 residues pruned to eliminate duplicates Z: 14 15.714 2.185 0.147 0.835 0.923 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 8 20.274 2.446 0.433 0.887 1.000 0.857 CB 1.576 8 residues pruned to eliminate duplicates Z: 59 50.086 2.397 0.535 0.646 0.948 0.534 CB 1.644 59 residues pruned to eliminate duplicates Z: 13 26.074 2.262 0.777 0.905 0.833 0.750 CA 1.600 13 residues pruned to eliminate duplicates Z: 13 36.491 2.423 0.743 0.812 1.000 0.500 CB 1.902 13 residues pruned to eliminate duplicates Z: 11 18.636 2.092 0.542 0.839 0.900 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 91 47.444 2.366 0.449 0.502 0.900 0.567 CB 1.618 91 residues pruned to eliminate duplicates Z: 15 15.080 2.091 0.215 0.847 0.929 0.786 CB 1.269 15 residues pruned to eliminate duplicates Z: 41 27.674 2.089 0.285 0.591 1.000 0.800 CB 1.494 34 residues pruned to eliminate duplicates Z: 15 25.792 2.262 0.414 0.884 1.000 0.786 CA 1.558 15 residues pruned to eliminate duplicates Z: 102 50.007 2.358 0.485 0.547 0.891 0.564 CB 1.522 102 residues pruned to eliminate duplicates Z: 101 48.781 2.318 0.527 0.553 0.870 0.500 CB 1.503 101 residues pruned to eliminate duplicates Z: 21 31.982 2.305 0.169 0.932 1.000 0.850 CB 1.853 21 residues pruned to eliminate duplicates Z: 14 17.853 2.090 0.212 0.912 1.000 0.692 CB 1.384 14 residues pruned to eliminate duplicates Z: 40 50.506 2.450 0.820 0.655 0.897 0.615 CB 1.750 40 residues pruned to eliminate duplicates Z: 10 8.290 1.657 0.143 0.892 0.889 0.889 CB 1.179 9 residues pruned to eliminate duplicates Z: 55 49.996 2.431 0.577 0.590 0.944 0.685 CB 1.724 55 residues pruned to eliminate duplicates Z: 9 11.455 1.668 0.471 0.902 1.000 0.875 CB 1.178 9 residues pruned to eliminate duplicates Z: 23 16.305 2.068 0.444 0.442 0.909 0.545 CB 1.360 23 residues pruned to eliminate duplicates Z: 8 9.378 1.940 0.563 0.589 0.714 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 79 50.971 2.377 0.543 0.534 0.923 0.538 CB 1.648 79 residues pruned to eliminate duplicates Z: 14 21.481 2.431 0.098 0.849 1.000 0.846 CA 1.653 14 residues pruned to eliminate duplicates Z: 19 40.602 2.376 0.487 0.936 1.000 0.833 CB 1.885 19 residues pruned to eliminate duplicates Z: 14 14.570 2.140 0.146 0.836 1.000 0.692 CB 1.234 14 residues pruned to eliminate duplicates Z: 27 16.406 2.200 0.429 0.416 0.846 0.308 CB 1.320 27 residues pruned to eliminate duplicates Z: 13 16.912 2.152 0.085 0.813 1.000 0.750 CB 1.592 13 residues pruned to eliminate duplicates Z: 20 23.578 2.081 0.480 0.737 0.947 0.579 CB 1.499 20 residues pruned to eliminate duplicates Z: 30 35.443 2.240 0.552 0.644 1.000 0.621 CB 1.655 30 residues pruned to eliminate duplicates Z: 15 14.953 1.820 0.398 0.888 0.857 0.643 CB 1.320 Z: 23 24.324 2.017 0.607 0.706 0.955 0.455 CB 1.390 23 residues pruned to eliminate duplicates Z: 7 10.157 2.022 0.168 0.898 1.000 1.000 CB 1.256 7 residues pruned to eliminate duplicates Z: 22 35.128 2.132 0.817 0.902 0.952 0.571 CB 1.482 22 residues pruned to eliminate duplicates Z: 16 26.907 2.229 0.737 0.891 1.000 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 16 29.248 2.217 0.682 0.886 1.000 0.533 CB 1.461 16 residues pruned to eliminate duplicates Z: 16 35.311 2.279 1.220 0.820 0.867 0.800 CA 1.576 16 residues pruned to eliminate duplicates Z: 21 12.894 2.136 0.233 0.454 0.850 0.500 CB 1.351 21 residues pruned to eliminate duplicates Z: 9 16.980 2.029 0.494 0.904 1.000 0.750 CB 1.410 9 residues pruned to eliminate duplicates Z: 10 12.961 2.072 0.471 0.609 0.778 0.667 CA 1.644 10 residues pruned to eliminate duplicates Z: 6 12.992 2.211 0.184 0.867 1.000 0.800 CB 1.623 6 residues pruned to eliminate duplicates Z: 9 8.263 1.702 0.188 0.822 1.000 0.750 CA 1.093 9 residues pruned to eliminate duplicates Z: 15 25.459 2.229 0.638 0.845 0.857 0.786 CB 1.616 15 residues pruned to eliminate duplicates Z: 9 9.087 2.006 0.189 0.816 1.000 0.625 CB 1.024 9 residues pruned to eliminate duplicates Z: 14 16.551 2.041 0.142 0.853 1.000 0.769 CA 1.455 14 residues pruned to eliminate duplicates Z: 10 19.069 2.163 0.385 0.828 1.000 0.556 CB 1.597 10 residues pruned to eliminate duplicates Z: 88 45.856 2.337 0.422 0.582 0.908 0.586 CB 1.505 88 residues pruned to eliminate duplicates Z: 15 18.840 2.092 0.257 0.824 0.857 0.786 CB 1.688 15 residues pruned to eliminate duplicates Z: 156 69.322 2.372 0.416 0.561 0.935 0.600 CB 1.670 156 residues pruned to eliminate duplicates Z: 53 55.055 2.404 0.664 0.614 0.962 0.673 CB 1.782 55 residues pruned to eliminate duplicates Z: 14 20.795 2.265 0.568 0.553 0.923 0.462 CB 1.672 11 residues pruned to eliminate duplicates Z: 12 13.802 1.961 0.348 0.842 0.909 0.727 CA 1.291 12 residues pruned to eliminate duplicates Z: 14 34.655 2.418 0.695 0.886 1.000 0.769 CA 1.693 14 residues pruned to eliminate duplicates Z: 9 16.770 2.196 0.255 0.822 1.000 0.750 CB 1.628 9 residues pruned to eliminate duplicates Z: 9 14.629 2.087 0.195 0.927 1.000 1.000 CB 1.453 9 residues pruned to eliminate duplicates Z: 14 41.049 2.401 1.155 0.880 1.000 0.538 CB 1.595 14 residues pruned to eliminate duplicates Z: 8 11.481 1.954 0.455 0.820 1.000 0.857 CB 1.156 8 residues pruned to eliminate duplicates Z: 16 14.956 2.057 0.387 0.426 0.933 0.467 CB 1.567 14 residues pruned to eliminate duplicates Z: 16 29.128 2.210 0.491 0.917 1.000 0.933 CB 1.612 16 residues pruned to eliminate duplicates Z: 15 17.310 2.080 0.426 0.714 0.929 0.571 CB 1.383 15 residues pruned to eliminate duplicates Z: 20 12.229 2.034 0.252 0.277 0.895 0.579 CB 1.584 23 residues pruned to eliminate duplicates Z: 7 2.868 1.601 -0.450 0.868 1.000 0.667 CB 0.972 7 residues pruned to eliminate duplicates Z: 7 10.732 1.878 0.478 0.640 1.000 0.667 CB 1.385 6 residues pruned to eliminate duplicates Z: 9 9.868 1.810 0.444 0.862 0.875 0.750 CB 1.121 10 residues pruned to eliminate duplicates Z: 13 36.172 2.445 0.741 0.902 1.000 1.000 CA 1.749 13 residues pruned to eliminate duplicates Z: 14 22.114 2.012 0.512 0.899 1.000 1.000 CA 1.441 14 residues pruned to eliminate duplicates Z: 15 20.757 2.100 0.419 0.866 1.000 0.786 CB 1.363 15 residues pruned to eliminate duplicates Z: 15 19.049 2.047 0.490 0.870 1.000 0.643 CB 1.219 15 residues pruned to eliminate duplicates Z: 13 14.373 1.907 0.552 0.863 0.833 0.667 CB 1.234 13 residues pruned to eliminate duplicates Z: 12 5.778 1.973 0.106 0.366 0.636 0.455 CB 1.450 12 residues pruned to eliminate duplicates Z: 13 14.151 2.134 0.579 0.509 0.750 0.417 CB 1.601 8 residues pruned to eliminate duplicates Z: 15 30.437 2.201 0.664 0.862 1.000 0.929 CA 1.631 15 residues pruned to eliminate duplicates Z: 90 49.629 2.343 0.604 0.575 0.843 0.427 CB 1.546 90 residues pruned to eliminate duplicates Z: 13 29.392 2.355 0.573 0.861 1.000 0.750 CB 1.683 13 residues pruned to eliminate duplicates Z: 15 27.706 2.211 0.739 0.913 1.000 0.857 CB 1.363 15 residues pruned to eliminate duplicates Z: 18 17.945 2.013 0.223 0.853 0.941 0.941 CB 1.389 18 residues pruned to eliminate duplicates Z: 8 15.927 1.918 0.403 0.889 1.000 0.857 CB 1.611 9 residues pruned to eliminate duplicates Z: 14 14.157 1.819 0.131 0.868 1.000 0.615 CB 1.396 15 residues pruned to eliminate duplicates Z: 21 20.666 2.255 0.343 0.500 0.950 0.750 CB 1.606 21 residues pruned to eliminate duplicates Z: 14 18.054 2.020 0.275 0.829 1.000 0.923 CA 1.462 14 residues pruned to eliminate duplicates Z: 14 33.422 2.280 0.745 0.927 1.000 0.769 CA 1.632 14 residues pruned to eliminate duplicates Z: 15 21.133 2.196 0.151 0.862 1.000 1.000 CB 1.640 15 residues pruned to eliminate duplicates Z: 13 30.261 2.415 0.546 0.878 1.000 1.000 CA 1.699 13 residues pruned to eliminate duplicates Z: 21 17.759 2.216 0.305 0.542 0.900 0.750 CB 1.465 21 residues pruned to eliminate duplicates Z: 14 23.296 2.271 0.518 0.794 0.846 0.538 CB 1.711 14 residues pruned to eliminate duplicates Z: 8 16.468 2.187 0.410 0.841 1.000 0.714 CB 1.504 8 residues pruned to eliminate duplicates Z: 10 26.947 2.273 0.666 0.892 1.000 1.000 CA 1.703 10 residues pruned to eliminate duplicates Z: 60 48.185 2.262 0.714 0.605 0.915 0.475 CB 1.599 60 residues pruned to eliminate duplicates Z: 102 54.329 2.386 0.566 0.561 0.861 0.564 CB 1.584 102 residues pruned to eliminate duplicates Z: 13 14.811 1.733 0.448 0.896 0.917 0.333 CA 1.331 13 residues pruned to eliminate duplicates Z: 14 27.276 2.398 0.442 0.887 1.000 0.846 CA 1.577 14 residues pruned to eliminate duplicates Z: 21 23.136 2.185 0.409 0.501 1.000 0.600 CB 1.679 21 residues pruned to eliminate duplicates Z: 11 6.546 1.493 0.445 0.405 1.000 0.600 CA 1.060 Z: 18 15.442 1.763 0.359 0.926 1.000 0.765 CB 1.096 15 residues pruned to eliminate duplicates Z: 20 36.170 2.302 0.514 0.914 1.000 0.895 CB 1.683 20 residues pruned to eliminate duplicates Z: 31 21.813 2.086 0.542 0.479 0.900 0.533 CB 1.406 35 residues pruned to eliminate duplicates Z: 9 15.096 1.856 0.632 0.908 1.000 0.500 CB 1.252 7 residues pruned to eliminate duplicates Z: 8 16.060 2.028 0.537 0.850 0.857 0.571 CA 1.683 8 residues pruned to eliminate duplicates Z: 12 14.458 2.078 0.376 0.652 1.000 0.818 CB 1.324 12 residues pruned to eliminate duplicates Z: 15 15.668 1.821 0.319 0.849 0.929 0.786 CA 1.393 15 residues pruned to eliminate duplicates Z: 30 26.780 2.084 0.365 0.658 0.966 0.552 CB 1.564 31 residues pruned to eliminate duplicates Z: 7 13.010 2.047 0.193 0.891 1.000 1.000 CB 1.565 7 residues pruned to eliminate duplicates Z: 8 10.258 1.905 0.540 0.764 0.857 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 9 7.602 1.756 0.215 0.787 1.000 0.875 CB 0.979 7 residues pruned to eliminate duplicates Z: 13 24.450 2.124 0.428 0.904 1.000 0.667 CB 1.658 13 residues pruned to eliminate duplicates Z: 14 18.625 2.024 0.310 0.843 1.000 0.615 CA 1.451 14 residues pruned to eliminate duplicates Z: 14 18.354 2.179 0.366 0.859 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 14 8.856 1.767 0.399 0.474 0.769 0.615 CB 1.326 14 residues pruned to eliminate duplicates Z: 14 19.314 2.204 0.524 0.614 0.846 0.615 CA 1.692 14 residues pruned to eliminate duplicates Z: 15 41.027 2.328 0.974 0.919 0.929 0.429 CA 1.811 15 residues pruned to eliminate duplicates Z: 14 16.201 2.016 0.109 0.870 1.000 0.846 CB 1.467 14 residues pruned to eliminate duplicates Z: 14 18.659 1.889 0.518 0.884 0.923 0.385 CB 1.413 14 residues pruned to eliminate duplicates Z: 12 11.468 1.957 0.249 0.834 0.818 0.818 CA 1.296 12 residues pruned to eliminate duplicates Z: 8 17.440 2.045 0.554 0.860 1.000 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 15 22.466 2.100 0.583 0.851 1.000 0.857 CB 1.337 15 residues pruned to eliminate duplicates Z: 12 34.931 2.020 1.197 0.905 1.000 0.636 CB 1.689 12 residues pruned to eliminate duplicates Z: 16 51.728 2.406 1.061 0.921 1.000 0.333 CB 1.895 16 residues pruned to eliminate duplicates Z: 13 18.789 2.077 0.623 0.828 0.917 0.167 CB 1.322 13 residues pruned to eliminate duplicates Z: 17 15.776 2.055 0.030 0.813 1.000 0.812 CB 1.418 17 residues pruned to eliminate duplicates Z: 43 23.732 2.080 0.198 0.588 0.952 0.690 CB 1.418 43 residues pruned to eliminate duplicates Z: 14 14.779 1.867 0.240 0.884 0.923 0.769 CB 1.385 14 residues pruned to eliminate duplicates Z: 13 12.981 1.801 0.954 0.868 0.833 0.500 CB 0.934 13 residues pruned to eliminate duplicates Z: 38 42.406 2.298 0.810 0.583 0.892 0.622 CB 1.736 38 residues pruned to eliminate duplicates Z: 18 14.085 2.169 0.061 0.487 0.941 0.765 CB 1.598 18 residues pruned to eliminate duplicates Z: 14 15.260 1.846 0.324 0.896 0.846 0.615 CB 1.467 14 residues pruned to eliminate duplicates Z: 7 5.634 1.822 -0.252 0.798 1.000 0.667 CB 1.300 7 residues pruned to eliminate duplicates Z: 11 12.665 2.017 0.148 0.815 1.000 0.500 CB 1.315 11 residues pruned to eliminate duplicates Z: 9 14.447 1.858 0.465 0.860 1.000 0.625 CB 1.380 8 residues pruned to eliminate duplicates Z: 20 49.438 2.383 0.854 0.941 0.947 0.526 CB 1.880 20 residues pruned to eliminate duplicates Z: 7 13.104 2.018 0.262 0.831 1.000 0.833 CB 1.578 7 residues pruned to eliminate duplicates Z: 6 5.801 1.686 0.082 0.667 1.000 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 15 21.943 2.100 0.599 0.836 1.000 0.571 CB 1.308 15 residues pruned to eliminate duplicates Z: 18 19.267 2.224 0.508 0.628 0.824 0.706 CB 1.500 18 residues pruned to eliminate duplicates Z: 17 14.468 1.769 0.687 0.889 0.875 0.500 CB 0.997 17 residues pruned to eliminate duplicates Z: 14 29.138 2.283 0.794 0.907 0.846 0.385 CB 1.659 14 residues pruned to eliminate duplicates Z: 9 5.556 1.618 0.582 0.372 0.750 0.500 CA 1.174 9 residues pruned to eliminate duplicates Z: 14 20.942 1.867 0.557 0.877 1.000 0.462 CB 1.452 14 residues pruned to eliminate duplicates Z: 10 11.359 1.764 0.207 0.886 1.000 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 11 8.146 1.848 0.438 0.521 0.900 0.700 CB 1.056 11 residues pruned to eliminate duplicates Z: 47 36.817 2.338 0.465 0.659 0.891 0.587 CB 1.534 47 residues pruned to eliminate duplicates Z: 6 3.845 1.461 0.306 0.667 1.000 0.400 CB 0.773 6 residues pruned to eliminate duplicates Z: 8 7.194 1.809 -0.103 0.746 1.000 0.571 CB 1.346 8 residues pruned to eliminate duplicates Z: 66 41.478 2.293 0.336 0.574 0.938 0.662 CB 1.665 66 residues pruned to eliminate duplicates Z: 60 47.795 2.331 0.690 0.514 0.915 0.542 CB 1.702 60 residues pruned to eliminate duplicates Z: 6 4.174 1.691 -0.055 0.758 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 13 11.870 2.083 0.665 0.456 0.833 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 11 13.119 2.078 0.097 0.847 0.900 0.700 CA 1.502 11 residues pruned to eliminate duplicates Z: 14 24.971 2.115 0.761 0.919 1.000 0.308 CB 1.311 14 residues pruned to eliminate duplicates Z: 6 9.315 1.637 1.137 0.467 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 18 15.537 2.029 0.308 0.570 0.882 0.588 CB 1.505 18 residues pruned to eliminate duplicates Z: 16 16.524 2.200 0.109 0.855 0.933 0.867 CB 1.383 16 residues pruned to eliminate duplicates Z: 32 26.330 2.273 0.519 0.526 0.839 0.645 CB 1.591 32 residues pruned to eliminate duplicates Z: 37 38.666 2.283 0.486 0.632 0.972 0.722 CB 1.726 37 residues pruned to eliminate duplicates Z: 15 14.189 1.776 0.283 0.836 1.000 0.857 CB 1.246 15 residues pruned to eliminate duplicates Z: 11 15.654 2.026 0.327 0.805 1.000 0.600 CB 1.411 11 residues pruned to eliminate duplicates Z: 11 14.854 1.907 0.723 0.921 0.900 0.700 CB 1.118 11 residues pruned to eliminate duplicates Z: 9 16.168 2.001 0.261 0.899 1.000 0.750 CB 1.620 9 residues pruned to eliminate duplicates Z: 16 10.115 2.121 0.186 0.437 1.000 0.667 CB 1.109 16 residues pruned to eliminate duplicates Z: 100 56.259 2.375 0.628 0.557 0.879 0.525 CB 1.575 94 residues pruned to eliminate duplicates Z: 9 12.599 2.005 0.439 0.779 0.875 0.500 CB 1.380 9 residues pruned to eliminate duplicates Z: 6 6.618 1.614 0.648 0.456 0.800 0.600 N 1.455 6 residues pruned to eliminate duplicates Z: 15 21.589 2.334 0.768 0.574 0.929 0.643 CB 1.402 15 residues pruned to eliminate duplicates Z: 25 17.634 2.032 0.479 0.416 0.875 0.542 CB 1.494 25 residues pruned to eliminate duplicates Z: 14 11.884 2.088 -0.243 0.929 1.000 1.000 CB 1.459 14 residues pruned to eliminate duplicates Z: 13 17.472 1.945 0.728 0.869 0.833 0.583 CB 1.316 12 residues pruned to eliminate duplicates Z: 56 45.650 2.259 0.624 0.558 0.945 0.673 CB 1.677 56 residues pruned to eliminate duplicates Z: 13 9.096 1.733 0.561 0.892 0.833 0.583 CB 0.837 13 residues pruned to eliminate duplicates Z: 15 15.481 2.069 0.238 0.853 0.857 0.571 CA 1.393 15 residues pruned to eliminate duplicates Z: 76 43.719 2.371 0.459 0.544 0.907 0.533 CB 1.542 76 residues pruned to eliminate duplicates Z: 43 39.073 2.266 0.611 0.532 0.976 0.714 CB 1.640 43 residues pruned to eliminate duplicates Z: 151 77.275 2.408 0.586 0.579 0.933 0.580 CB 1.640 150 residues pruned to eliminate duplicates Z: 7 10.654 2.005 0.489 0.603 1.000 0.833 CA 1.321 6 1.749 1.347 0.681 0.196 0.800 0.600 CB 0.621 ? Z: 8 14.318 2.198 0.352 0.852 1.000 0.571 CB 1.346 8 residues pruned to eliminate duplicates Z: 16 16.178 2.009 0.226 0.881 1.000 0.600 CB 1.228 16 residues pruned to eliminate duplicates Z: 6 12.422 2.126 0.218 0.692 1.000 0.800 CB 1.800 6 residues pruned to eliminate duplicates Z: 9 9.526 1.645 0.238 0.905 1.000 0.875 CB 1.177 8 residues pruned to eliminate duplicates Z: 8 9.430 1.765 0.528 0.890 1.000 0.714 CB 0.951 8 residues pruned to eliminate duplicates Z: 8 7.467 1.818 0.253 0.698 0.714 0.429 CA 1.448 8 residues pruned to eliminate duplicates Z: 8 15.989 1.916 0.616 0.830 1.000 0.571 CB 1.467 9 residues pruned to eliminate duplicates Z: 78 48.695 2.362 0.562 0.505 0.935 0.571 CB 1.600 78 residues pruned to eliminate duplicates Z: 15 25.103 2.210 0.677 0.691 0.929 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 19 14.071 2.038 0.479 0.451 0.778 0.556 CB 1.487 19 residues pruned to eliminate duplicates Z: 14 19.017 2.082 0.513 0.913 1.000 0.692 CB 1.184 14 residues pruned to eliminate duplicates Z: 15 19.609 2.080 0.316 0.809 1.000 0.643 CB 1.462 15 residues pruned to eliminate duplicates Z: 14 20.621 2.177 0.484 0.862 1.000 0.846 CB 1.300 14 residues pruned to eliminate duplicates Z: 9 16.434 1.757 0.901 0.873 0.875 0.625 N 1.447 8 residues pruned to eliminate duplicates Z: 7 3.755 1.794 0.025 0.789 0.500 0.333 CB 1.294 7 residues pruned to eliminate duplicates Z: 15 27.824 2.331 0.687 0.816 1.000 0.571 CA 1.437 15 residues pruned to eliminate duplicates Z: 6 6.531 1.601 0.331 0.818 1.000 0.600 CB 1.039 6 residues pruned to eliminate duplicates Z: 18 16.852 1.876 0.437 0.917 0.941 0.706 CB 1.136 20 residues pruned to eliminate duplicates Z: 6 10.622 2.084 -0.013 0.804 1.000 1.000 N 1.771 6 residues pruned to eliminate duplicates Z: 41 26.378 2.066 0.301 0.614 0.975 0.800 CB 1.429 41 residues pruned to eliminate duplicates Z: 15 27.582 2.306 0.372 0.900 1.000 0.643 CB 1.665 15 residues pruned to eliminate duplicates Z: 17 16.762 1.769 0.537 0.940 0.938 0.500 CB 1.142 19 residues pruned to eliminate duplicates Z: 12 11.346 1.787 0.048 0.858 1.000 1.000 CA 1.346 12 residues pruned to eliminate duplicates Z: 7 7.138 1.528 0.382 0.789 1.000 0.833 CB 1.070 7 residues pruned to eliminate duplicates Z: 24 13.470 2.056 0.303 0.484 0.783 0.565 CB 1.362 24 residues pruned to eliminate duplicates Z: 9 10.119 2.124 0.203 0.632 0.875 0.625 CB 1.414 9 residues pruned to eliminate duplicates Z: 7 14.689 2.160 0.173 0.754 1.000 0.667 CA 1.888 7 residues pruned to eliminate duplicates Z: 31 23.694 2.004 0.253 0.668 1.000 0.733 CB 1.475 31 residues pruned to eliminate duplicates Z: 35 42.731 2.365 0.551 0.633 1.000 0.676 CA 1.763 35 residues pruned to eliminate duplicates Z: 7 7.505 1.702 0.443 0.691 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 14 13.120 1.945 0.375 0.601 0.846 0.615 CB 1.460 14 residues pruned to eliminate duplicates Z: 53 34.246 2.342 0.336 0.619 0.885 0.500 CB 1.532 53 residues pruned to eliminate duplicates Z: 9 9.259 1.664 0.353 0.858 1.000 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 10 8.738 1.675 0.195 0.832 0.889 0.556 O 1.229 10 residues pruned to eliminate duplicates Z: 8 9.410 1.816 0.218 0.837 1.000 0.714 CB 1.203 8 residues pruned to eliminate duplicates Z: 8 12.682 2.152 0.250 0.833 0.857 0.857 CB 1.559 8 residues pruned to eliminate duplicates Z: 39 38.549 2.302 0.492 0.581 0.974 0.605 CA 1.730 39 residues pruned to eliminate duplicates Z: 7 17.430 2.210 0.319 0.774 1.000 0.667 N 1.915 7 residues pruned to eliminate duplicates Z: 31 17.156 2.293 0.202 0.422 0.900 0.367 CB 1.370 31 residues pruned to eliminate duplicates Z: 6 4.771 2.091 0.013 0.361 0.800 0.400 CB 1.462 6 residues pruned to eliminate duplicates Z: 16 19.789 2.181 0.199 0.830 1.000 0.600 CB 1.469 16 residues pruned to eliminate duplicates Z: 13 30.010 2.252 0.970 0.885 0.833 0.500 CB 1.692 13 residues pruned to eliminate duplicates Z: 8 10.347 2.012 0.405 0.764 0.857 0.857 CB 1.277 8 residues pruned to eliminate duplicates Z: 21 26.651 2.380 0.645 0.573 0.850 0.600 CA 1.669 21 residues pruned to eliminate duplicates Z: 141 68.741 2.381 0.617 0.563 0.900 0.536 CB 1.577 141 residues pruned to eliminate duplicates Z: 67 41.703 2.215 0.580 0.512 0.939 0.500 CB 1.544 67 residues pruned to eliminate duplicates Z: 18 13.473 1.834 0.405 0.911 0.882 0.529 CB 1.018 18 residues pruned to eliminate duplicates Z: 16 19.107 2.235 0.313 0.596 0.933 0.600 CB 1.644 16 residues pruned to eliminate duplicates Z: 70 35.388 2.318 0.310 0.493 0.913 0.536 CB 1.547 70 residues pruned to eliminate duplicates Z: 6 9.591 2.042 0.680 0.656 0.800 0.400 CB 1.352 6 residues pruned to eliminate duplicates Z: 10 6.874 1.907 0.363 0.401 0.889 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 9 10.201 1.634 0.357 0.881 1.000 0.875 CB 1.179 9 residues pruned to eliminate duplicates Z: 14 12.131 1.941 0.446 0.654 0.846 0.846 CB 1.228 14 residues pruned to eliminate duplicates Z: 7 3.133 2.125 0.093 0.098 0.667 0.500 CA 1.381 7 residues pruned to eliminate duplicates Z: 11 15.438 2.201 0.435 0.671 0.900 0.700 CB 1.466 18 residues pruned to eliminate duplicates Z: 19 14.570 2.006 0.531 0.456 0.833 0.500 CB 1.403 19 residues pruned to eliminate duplicates Z: 10 27.608 2.188 0.808 0.909 1.000 1.000 CA 1.652 10 residues pruned to eliminate duplicates 6 1.887 1.220 0.837 0.398 0.800 0.600 CB 0.524 ? Z: 11 9.277 1.855 0.541 0.451 0.800 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 6 11.117 2.017 0.177 0.742 1.000 0.800 CA 1.686 6 residues pruned to eliminate duplicates Z: 14 18.986 2.122 0.539 0.813 0.923 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 13 15.469 1.890 0.569 0.861 0.917 0.583 CB 1.207 13 residues pruned to eliminate duplicates Z: 37 36.359 2.283 0.645 0.528 0.917 0.556 CB 1.712 37 residues pruned to eliminate duplicates Z: 32 20.559 2.307 0.315 0.467 0.871 0.548 CB 1.445 32 residues pruned to eliminate duplicates Z: 11 7.704 1.726 0.388 0.714 0.800 0.400 CA 1.047 11 residues pruned to eliminate duplicates Z: 145 78.929 2.403 0.660 0.584 0.938 0.507 CB 1.624 146 residues pruned to eliminate duplicates Z: 14 46.430 2.477 1.177 0.868 1.000 0.615 CB 1.746 14 residues pruned to eliminate duplicates Z: 9 13.100 2.155 0.364 0.830 0.750 0.625 CB 1.580 9 residues pruned to eliminate duplicates Z: 13 40.582 2.444 1.076 0.914 1.000 0.583 CB 1.633 13 residues pruned to eliminate duplicates Z: 14 17.004 1.990 0.471 0.878 0.923 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 28 22.799 2.325 0.289 0.538 0.852 0.556 CB 1.656 28 residues pruned to eliminate duplicates Z: 8 7.028 2.053 0.219 0.701 0.714 0.429 CA 1.237 8 residues pruned to eliminate duplicates Z: 13 14.247 2.049 0.226 0.760 0.917 0.583 CB 1.417 12 residues pruned to eliminate duplicates Z: 57 38.620 2.364 0.448 0.627 0.875 0.446 CB 1.530 57 residues pruned to eliminate duplicates Z: 26 17.180 2.070 0.476 0.417 0.920 0.560 CB 1.333 26 residues pruned to eliminate duplicates Z: 9 10.153 1.819 0.154 0.871 1.000 0.875 CB 1.247 9 residues pruned to eliminate duplicates Z: 65 47.005 2.269 0.664 0.556 0.891 0.453 CB 1.654 65 residues pruned to eliminate duplicates Z: 13 13.890 2.053 0.335 0.544 0.917 0.500 CB 1.530 13 residues pruned to eliminate duplicates Z: 9 10.349 1.743 0.288 0.729 1.000 0.625 N 1.327 9 residues pruned to eliminate duplicates Z: 13 4.525 1.654 0.283 0.376 0.833 0.417 CB 0.843 Z: 36 18.605 2.279 0.402 0.394 0.800 0.429 CB 1.376 36 residues pruned to eliminate duplicates Z: 54 49.572 2.327 0.702 0.567 0.925 0.698 CA 1.742 54 residues pruned to eliminate duplicates Z: 90 45.517 2.352 0.365 0.556 0.876 0.562 CB 1.624 90 residues pruned to eliminate duplicates Z: 19 20.361 2.255 0.450 0.593 0.889 0.667 CB 1.511 19 residues pruned to eliminate duplicates Z: 7 22.331 2.312 0.494 0.854 1.000 0.833 CA 1.950 7 residues pruned to eliminate duplicates Z: 74 41.848 2.371 0.430 0.484 0.904 0.521 CB 1.623 74 residues pruned to eliminate duplicates Z: 95 43.549 2.332 0.395 0.567 0.862 0.606 CB 1.503 95 residues pruned to eliminate duplicates Z: 12 16.828 2.063 0.330 0.855 1.000 0.818 CB 1.364 12 residues pruned to eliminate duplicates 7 1.951 1.338 0.627 0.250 0.667 0.333 CB 0.732 ? Z: 51 46.670 2.412 0.639 0.635 0.920 0.480 CB 1.599 51 residues pruned to eliminate duplicates Z: 11 5.809 1.884 -0.158 0.510 0.900 0.500 CB 1.274 11 residues pruned to eliminate duplicates Z: 55 50.451 2.330 0.808 0.547 0.926 0.556 CB 1.681 57 residues pruned to eliminate duplicates Z: 10 5.257 1.731 0.388 0.345 0.778 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 21 20.123 2.236 0.338 0.557 0.950 0.800 CB 1.497 21 residues pruned to eliminate duplicates Z: 16 14.778 2.179 0.455 0.392 0.800 0.400 CB 1.686 16 residues pruned to eliminate duplicates Z: 6 2.223 1.272 -0.061 0.479 1.000 0.400 N 0.850 Z: 10 21.195 2.403 0.496 0.763 0.889 0.778 CA 1.751 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 12.805 1.881 0.262 0.778 1.000 0.846 CB 1.171 14 residues pruned to eliminate duplicates Z: 51 51.224 2.410 0.657 0.613 0.920 0.700 CB 1.772 51 residues pruned to eliminate duplicates Z: 59 51.085 2.372 0.630 0.602 0.948 0.638 CB 1.661 59 residues pruned to eliminate duplicates Z: 31 31.201 2.299 0.517 0.626 0.900 0.767 CB 1.611 31 residues pruned to eliminate duplicates Z: 59 46.653 2.379 0.437 0.616 0.931 0.672 CB 1.725 59 residues pruned to eliminate duplicates Z: 29 30.955 2.225 0.478 0.620 0.964 0.786 CA 1.648 29 residues pruned to eliminate duplicates Z: 10 20.553 2.297 0.496 0.772 0.889 0.889 CA 1.762 10 residues pruned to eliminate duplicates Z: 7 7.611 1.953 0.652 0.302 0.833 0.333 N 1.441 7 residues pruned to eliminate duplicates Z: 53 49.589 2.353 0.624 0.616 0.923 0.654 CB 1.746 53 residues pruned to eliminate duplicates Z: 20 23.659 2.213 0.407 0.693 0.895 0.684 CA 1.632 20 residues pruned to eliminate duplicates Z: 127 65.332 2.377 0.533 0.538 0.913 0.571 CB 1.685 127 residues pruned to eliminate duplicates Z: 30 33.200 2.165 0.908 0.570 0.862 0.621 CB 1.617 30 residues pruned to eliminate duplicates Z: 154 79.201 2.388 0.540 0.609 0.941 0.601 CB 1.668 154 residues pruned to eliminate duplicates Z: 15 31.274 2.336 0.766 0.831 1.000 0.643 CB 1.522 15 residues pruned to eliminate duplicates Z: 61 55.307 2.456 0.663 0.565 0.933 0.533 CB 1.759 61 residues pruned to eliminate duplicates Z: 26 25.829 2.234 0.702 0.499 0.880 0.480 CB 1.545 26 residues pruned to eliminate duplicates Z: 31 27.352 2.229 0.668 0.520 0.833 0.600 CB 1.580 31 residues pruned to eliminate duplicates Z: 57 53.300 2.419 0.646 0.611 0.946 0.679 CB 1.702 57 residues pruned to eliminate duplicates Z: 58 54.848 2.389 0.713 0.588 0.947 0.667 CB 1.722 58 residues pruned to eliminate duplicates Z: 44 48.844 2.415 0.713 0.609 0.930 0.698 CB 1.746 44 residues pruned to eliminate duplicates Z: 54 51.971 2.406 0.637 0.563 0.981 0.491 CB 1.739 54 residues pruned to eliminate duplicates Z: 40 49.816 2.453 0.709 0.619 0.949 0.538 CB 1.793 40 residues pruned to eliminate duplicates Z: 85 43.833 2.341 0.449 0.525 0.881 0.631 CB 1.561 85 residues pruned to eliminate duplicates Z: 54 58.572 2.422 0.772 0.583 0.962 0.547 CB 1.799 54 residues pruned to eliminate duplicates Z: 58 50.679 2.395 0.592 0.610 0.912 0.596 CB 1.739 57 residues pruned to eliminate duplicates Z: 6 2.662 1.266 0.520 0.336 0.800 0.400 CA 0.925 6 residues pruned to eliminate duplicates Z: 43 51.575 2.471 0.715 0.615 0.952 0.619 CB 1.769 43 residues pruned to eliminate duplicates Z: 54 58.386 2.457 0.684 0.606 0.962 0.679 CB 1.821 54 residues pruned to eliminate duplicates Z: 48 47.921 2.431 0.579 0.610 0.915 0.681 CB 1.793 48 residues pruned to eliminate duplicates Z: 42 51.591 2.483 0.649 0.628 0.951 0.610 CB 1.834 42 residues pruned to eliminate duplicates Z: 56 39.837 2.336 0.535 0.518 0.945 0.491 CB 1.557 56 residues pruned to eliminate duplicates Z: 62 52.934 2.387 0.687 0.563 0.918 0.590 CB 1.725 62 residues pruned to eliminate duplicates Z: 156 69.836 2.366 0.470 0.568 0.923 0.600 CB 1.637 156 residues pruned to eliminate duplicates Z: 51 44.964 2.359 0.518 0.598 0.960 0.600 CB 1.685 51 residues pruned to eliminate duplicates Z: 57 49.860 2.435 0.628 0.583 0.911 0.679 CB 1.704 57 residues pruned to eliminate duplicates Z: 65 60.470 2.409 0.622 0.576 1.000 0.641 CB 1.798 65 residues pruned to eliminate duplicates Z: 70 46.403 2.421 0.550 0.548 0.870 0.623 CB 1.633 70 residues pruned to eliminate duplicates Z: 25 30.436 2.384 0.438 0.578 0.875 0.625 CB 1.920 25 residues pruned to eliminate duplicates Z: 80 45.301 2.366 0.521 0.506 0.873 0.582 CB 1.611 80 residues pruned to eliminate duplicates Z: 54 52.516 2.475 0.586 0.578 0.925 0.604 CB 1.843 54 residues pruned to eliminate duplicates Z: 58 49.996 2.383 0.541 0.591 0.947 0.632 CB 1.746 58 residues pruned to eliminate duplicates Z: 57 48.770 2.388 0.573 0.554 0.929 0.589 CB 1.773 57 residues pruned to eliminate duplicates Z: 48 50.534 2.410 0.740 0.596 0.936 0.681 CB 1.713 48 residues pruned to eliminate duplicates Z: 83 52.457 2.369 0.523 0.536 0.939 0.573 CB 1.649 83 residues pruned to eliminate duplicates Z: 17 36.263 2.414 0.652 0.792 0.938 0.438 CB 1.877 17 residues pruned to eliminate duplicates Z: 34 30.195 2.327 0.424 0.565 0.848 0.545 CB 1.756 34 residues pruned to eliminate duplicates Z: 82 43.679 2.268 0.456 0.508 0.914 0.605 CB 1.596 82 residues pruned to eliminate duplicates Z: 32 18.710 2.291 0.407 0.454 0.839 0.484 CB 1.303 32 residues pruned to eliminate duplicates Z: 85 52.496 2.356 0.526 0.539 0.952 0.607 CB 1.610 85 residues pruned to eliminate duplicates Z: 96 44.989 2.329 0.463 0.500 0.863 0.568 CB 1.569 96 residues pruned to eliminate duplicates Z: 31 20.353 2.305 0.331 0.476 0.900 0.533 CB 1.378 31 residues pruned to eliminate duplicates Z: 74 51.359 2.407 0.639 0.529 0.932 0.616 CB 1.590 74 residues pruned to eliminate duplicates Z: 74 47.613 2.395 0.542 0.514 0.904 0.616 CB 1.645 74 residues pruned to eliminate duplicates Z: 65 56.846 2.417 0.707 0.553 0.938 0.641 CB 1.744 65 residues pruned to eliminate duplicates Z: 55 50.369 2.436 0.669 0.552 0.944 0.593 CB 1.697 55 residues pruned to eliminate duplicates Z: 87 42.801 2.355 0.470 0.479 0.849 0.500 CB 1.605 87 residues pruned to eliminate duplicates Z: 90 50.037 2.329 0.564 0.502 0.933 0.562 CB 1.558 90 residues pruned to eliminate duplicates Z: 46 23.641 2.282 0.331 0.459 0.867 0.489 CB 1.396 46 residues pruned to eliminate duplicates Z: 85 44.001 2.291 0.464 0.518 0.929 0.548 CB 1.514 85 residues pruned to eliminate duplicates Z: 11 15.999 2.362 0.515 0.518 0.900 0.500 CB 1.544 11 residues pruned to eliminate duplicates Z: 34 18.675 2.344 0.330 0.372 0.848 0.394 CB 1.409 34 residues pruned to eliminate duplicates Z: 78 46.043 2.342 0.651 0.488 0.870 0.481 CB 1.579 78 residues pruned to eliminate duplicates Z: 30 17.598 2.277 0.399 0.445 0.828 0.517 CB 1.311 30 residues pruned to eliminate duplicates Z: 9 6.799 2.177 0.238 0.483 0.875 0.375 CB 1.037 9 residues pruned to eliminate duplicates Z: 39 20.547 2.297 0.426 0.398 0.789 0.421 CB 1.436 39 residues pruned to eliminate duplicates Z: 72 44.057 2.383 0.466 0.500 0.944 0.620 CB 1.587 72 residues pruned to eliminate duplicates Z: 86 45.780 2.383 0.480 0.491 0.859 0.576 CB 1.655 86 residues pruned to eliminate duplicates Z: 23 12.216 2.161 0.133 0.445 0.864 0.364 CB 1.304 23 residues pruned to eliminate duplicates Z: 89 42.775 2.323 0.358 0.580 0.864 0.614 CB 1.550 89 residues pruned to eliminate duplicates Z: 73 46.060 2.404 0.497 0.528 0.903 0.556 CB 1.626 73 residues pruned to eliminate duplicates Z: 44 22.746 2.320 0.327 0.436 0.860 0.488 CB 1.399 44 residues pruned to eliminate duplicates Z: 63 34.926 2.325 0.453 0.514 0.855 0.532 CB 1.516 63 residues pruned to eliminate duplicates Z: 117 56.630 2.385 0.417 0.544 0.914 0.534 CB 1.632 117 residues pruned to eliminate duplicates Z: 61 40.870 2.382 0.401 0.569 0.950 0.517 CB 1.557 61 residues pruned to eliminate duplicates Z: 149 74.400 2.399 0.502 0.572 0.926 0.568 CB 1.710 149 residues pruned to eliminate duplicates Z: 103 53.524 2.356 0.462 0.557 0.912 0.549 CB 1.597 103 residues pruned to eliminate duplicates Z: 64 35.894 2.338 0.402 0.502 0.873 0.540 CB 1.577 64 residues pruned to eliminate duplicates Z: 76 39.869 2.378 0.321 0.551 0.893 0.627 CB 1.561 76 residues pruned to eliminate duplicates Z: 76 40.075 2.363 0.389 0.527 0.907 0.520 CB 1.515 76 residues pruned to eliminate duplicates Z: 155 65.914 2.371 0.439 0.555 0.903 0.610 CB 1.634 155 residues pruned to eliminate duplicates Z: 30 18.265 2.255 0.309 0.429 0.862 0.379 CB 1.434 30 residues pruned to eliminate duplicates Z: 157 65.126 2.321 0.485 0.549 0.897 0.577 CB 1.607 157 residues pruned to eliminate duplicates Z: 48 25.331 2.306 0.364 0.396 0.872 0.468 CB 1.502 48 residues pruned to eliminate duplicates Z: 74 43.825 2.385 0.414 0.558 0.918 0.589 CB 1.566 74 residues pruned to eliminate duplicates Z: 46 23.064 2.337 0.291 0.409 0.844 0.489 CB 1.484 46 residues pruned to eliminate duplicates Z: 91 53.568 2.381 0.519 0.510 0.911 0.578 CB 1.697 91 residues pruned to eliminate duplicates Z: 113 57.280 2.367 0.505 0.560 0.884 0.580 CB 1.622 113 residues pruned to eliminate duplicates Z: 89 48.841 2.351 0.371 0.574 0.943 0.557 CB 1.595 89 residues pruned to eliminate duplicates Z: 90 45.630 2.333 0.400 0.568 0.865 0.607 CB 1.603 90 residues pruned to eliminate duplicates Z: 64 44.558 2.369 0.326 0.644 0.937 0.667 CB 1.669 64 residues pruned to eliminate duplicates Z: 133 60.441 2.332 0.540 0.520 0.894 0.515 CB 1.607 133 residues pruned to eliminate duplicates Z: 77 42.843 2.375 0.441 0.540 0.921 0.553 CB 1.500 77 residues pruned to eliminate duplicates Z: 100 52.335 2.366 0.434 0.578 0.909 0.596 CB 1.582 100 residues pruned to eliminate duplicates Z: 86 46.053 2.340 0.411 0.580 0.882 0.624 CB 1.587 86 residues pruned to eliminate duplicates Z: 67 41.099 2.374 0.474 0.527 0.879 0.530 CB 1.602 67 residues pruned to eliminate duplicates Z: 32 39.289 2.428 0.520 0.704 0.968 0.677 CB 1.641 32 residues pruned to eliminate duplicates Z: 103 51.170 2.366 0.403 0.556 0.931 0.529 CB 1.551 103 residues pruned to eliminate duplicates Z: 64 36.693 2.327 0.368 0.573 0.873 0.508 CB 1.550 64 residues pruned to eliminate duplicates Z: 128 63.858 2.398 0.504 0.560 0.898 0.559 CB 1.650 128 residues pruned to eliminate duplicates Z: 102 57.188 2.383 0.479 0.565 0.931 0.545 CB 1.629 102 residues pruned to eliminate duplicates Z: 60 47.985 2.392 0.472 0.653 0.915 0.542 CB 1.682 60 residues pruned to eliminate duplicates Z: 118 62.584 2.388 0.517 0.570 0.915 0.513 CB 1.631 118 residues pruned to eliminate duplicates Z: 125 54.921 2.354 0.390 0.530 0.903 0.516 CB 1.620 125 residues pruned to eliminate duplicates Z: 62 40.201 2.357 0.420 0.575 0.918 0.508 CB 1.557 62 residues pruned to eliminate duplicates Z: 91 45.826 2.320 0.411 0.567 0.900 0.511 CB 1.538 91 residues pruned to eliminate duplicates Z: 147 63.819 2.384 0.435 0.561 0.897 0.555 CB 1.623 147 residues pruned to eliminate duplicates Z: 103 50.034 2.360 0.436 0.567 0.892 0.559 CB 1.536 103 residues pruned to eliminate duplicates Z: 93 50.473 2.349 0.545 0.554 0.902 0.478 CB 1.524 93 residues pruned to eliminate duplicates Z: 95 50.670 2.356 0.531 0.564 0.894 0.489 CB 1.524 95 residues pruned to eliminate duplicates Z: 61 44.388 2.382 0.595 0.577 0.900 0.450 CB 1.556 61 residues pruned to eliminate duplicates Z: 73 41.043 2.323 0.576 0.534 0.861 0.444 CB 1.483 73 residues pruned to eliminate duplicates Z: 78 42.472 2.340 0.502 0.507 0.883 0.416 CB 1.549 78 residues pruned to eliminate duplicates Z: 103 51.911 2.357 0.487 0.550 0.902 0.490 CB 1.549 103 residues pruned to eliminate duplicates Z: 32 42.076 2.433 0.625 0.715 0.968 0.419 CB 1.625 32 residues pruned to eliminate duplicates Z: 51 40.739 2.397 0.549 0.596 0.860 0.420 CB 1.646 51 residues pruned to eliminate duplicates Z: 74 38.817 2.384 0.403 0.542 0.849 0.466 CB 1.535 74 residues pruned to eliminate duplicates Z: 61 40.187 2.370 0.549 0.567 0.850 0.383 CB 1.558 61 residues pruned to eliminate duplicates Z: 13 12.330 2.115 0.669 0.425 0.917 0.750 CB 1.189 13 residues pruned to eliminate duplicates Z: 101 48.584 2.334 0.401 0.579 0.920 0.570 CB 1.497 101 residues pruned to eliminate duplicates Z: 12 10.214 2.434 0.400 0.308 0.818 0.455 CB 1.366 12 residues pruned to eliminate duplicates Z: 98 43.991 2.364 0.353 0.534 0.866 0.505 CB 1.561 98 residues pruned to eliminate duplicates Z: 91 47.710 2.355 0.452 0.581 0.889 0.556 CB 1.531 91 residues pruned to eliminate duplicates Z: 107 50.633 2.352 0.415 0.533 0.906 0.547 CB 1.580 107 residues pruned to eliminate duplicates Z: 177 65.562 2.323 0.446 0.539 0.898 0.517 CB 1.577 178 residues pruned to eliminate duplicates Z: 8 14.188 1.874 0.508 0.749 1.000 0.286 CA 1.519 8 residues pruned to eliminate duplicates Z: 28 27.911 2.254 0.400 0.645 0.889 0.556 CB 1.673 28 residues pruned to eliminate duplicates Z: 29 28.162 2.226 0.340 0.624 0.964 0.679 CB 1.646 29 residues pruned to eliminate duplicates Z: 89 51.464 2.366 0.472 0.585 0.932 0.523 CB 1.559 89 residues pruned to eliminate duplicates Z: 32 34.381 2.278 0.591 0.614 1.000 0.677 CB 1.529 32 residues pruned to eliminate duplicates Z: 89 56.800 2.372 0.522 0.598 0.955 0.534 CB 1.601 89 residues pruned to eliminate duplicates Z: 30 25.508 2.249 0.495 0.569 0.862 0.552 CB 1.530 30 residues pruned to eliminate duplicates Z: 23 27.675 2.273 0.620 0.650 0.909 0.682 CB 1.533 23 residues pruned to eliminate duplicates Z: 88 52.514 2.389 0.499 0.582 0.908 0.552 CB 1.600 88 residues pruned to eliminate duplicates Z: 86 44.373 2.309 0.533 0.535 0.882 0.447 CB 1.489 86 residues pruned to eliminate duplicates Z: 78 57.757 2.381 0.661 0.612 0.922 0.481 CB 1.623 78 residues pruned to eliminate duplicates Z: 30 29.210 2.263 0.580 0.585 0.897 0.552 CB 1.559 30 residues pruned to eliminate duplicates Z: 94 53.127 2.373 0.567 0.574 0.892 0.452 CB 1.545 94 residues pruned to eliminate duplicates Z: 40 31.501 2.284 0.664 0.504 0.872 0.513 CB 1.515 40 residues pruned to eliminate duplicates Z: 77 54.593 2.388 0.602 0.603 0.908 0.395 CB 1.634 77 residues pruned to eliminate duplicates Z: 107 52.244 2.352 0.509 0.549 0.877 0.462 CB 1.554 107 residues pruned to eliminate duplicates Z: 72 52.538 2.357 0.660 0.626 0.901 0.479 CB 1.571 72 residues pruned to eliminate duplicates Z: 40 31.562 2.253 0.618 0.491 0.923 0.410 CB 1.516 40 residues pruned to eliminate duplicates Z: 112 52.408 2.233 0.561 0.547 0.901 0.523 CB 1.514 113 residues pruned to eliminate duplicates Z: 19 30.755 2.230 0.955 0.686 0.944 0.444 CB 1.485 19 residues pruned to eliminate duplicates Z: 102 54.316 2.394 0.527 0.557 0.871 0.465 CB 1.604 102 residues pruned to eliminate duplicates Z: 7 4.012 1.873 0.387 0.232 0.667 0.500 CB 1.293 Z: 14 14.748 2.057 0.366 0.661 0.923 0.692 CA 1.358 19 residues pruned to eliminate duplicates Z: 10 11.250 2.073 -0.028 0.772 1.000 0.667 CA 1.462 10 residues pruned to eliminate duplicates Z: 14 11.938 2.070 0.166 0.668 0.846 0.692 CA 1.388 14 residues pruned to eliminate duplicates Z: 12 13.797 1.976 0.268 0.828 0.909 0.727 CB 1.375 12 residues pruned to eliminate duplicates Z: 17 14.523 1.934 0.500 0.583 0.875 0.500 CB 1.321 15 residues pruned to eliminate duplicates Z: 12 16.310 1.961 0.592 0.877 0.909 0.364 CB 1.259 12 residues pruned to eliminate duplicates Z: 17 12.242 1.927 0.508 0.586 0.750 0.375 CB 1.293 17 residues pruned to eliminate duplicates Z: 15 17.835 2.047 0.571 0.645 0.929 0.286 CB 1.394 17 residues pruned to eliminate duplicates Z: 11 16.440 2.054 0.449 0.855 0.900 0.500 CB 1.432 11 residues pruned to eliminate duplicates Z: 15 14.442 2.053 0.517 0.644 0.786 0.429 CA 1.378 15 residues pruned to eliminate duplicates Z: 17 16.029 2.245 0.363 0.463 0.812 0.625 CB 1.674 16 residues pruned to eliminate duplicates Z: 10 11.494 1.866 0.371 0.828 0.778 0.556 CB 1.449 9 residues pruned to eliminate duplicates Z: 8 10.458 2.124 0.142 0.805 0.857 0.714 CB 1.456 8 residues pruned to eliminate duplicates Z: 18 13.399 2.138 0.233 0.420 0.824 0.588 CA 1.628 18 residues pruned to eliminate duplicates Z: 18 15.174 2.150 0.379 0.425 0.824 0.647 CB 1.630 18 residues pruned to eliminate duplicates Z: 58 28.022 2.042 0.403 0.498 0.877 0.596 CB 1.481 99 residues pruned to eliminate duplicates Z: 18 15.826 2.178 0.357 0.416 0.882 0.647 CB 1.607 18 residues pruned to eliminate duplicates Z: 19 14.191 2.065 0.299 0.411 0.889 0.556 CB 1.540 19 residues pruned to eliminate duplicates Z: 18 15.180 2.184 0.391 0.403 0.882 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 36 19.889 2.133 0.414 0.375 0.886 0.657 CB 1.438 36 residues pruned to eliminate duplicates Z: 20 14.337 2.092 0.397 0.402 0.842 0.474 CB 1.481 20 residues pruned to eliminate duplicates Z: 18 16.833 2.208 0.437 0.407 0.882 0.647 CB 1.607 18 residues pruned to eliminate duplicates Z: 19 15.762 2.092 0.449 0.404 0.944 0.556 CB 1.435 19 residues pruned to eliminate duplicates Z: 17 17.866 2.280 0.474 0.443 0.875 0.625 CB 1.611 17 residues pruned to eliminate duplicates Z: 18 9.372 1.908 0.263 0.265 0.882 0.588 CB 1.396 18 residues pruned to eliminate duplicates Z: 14 18.768 1.911 0.411 0.888 0.923 0.692 CB 1.507 14 residues pruned to eliminate duplicates Z: 13 17.900 1.806 0.476 0.816 1.000 0.667 CA 1.473 13 residues pruned to eliminate duplicates Z: 11 11.562 1.773 0.377 0.623 1.000 0.500 CB 1.334 11 residues pruned to eliminate duplicates Z: 14 19.009 1.921 0.446 0.878 0.923 0.385 CB 1.492 14 residues pruned to eliminate duplicates Z: 14 16.676 1.881 0.334 0.879 0.923 0.308 CB 1.449 14 residues pruned to eliminate duplicates Z: 13 18.484 1.839 0.617 0.884 0.917 0.500 CB 1.414 13 residues pruned to eliminate duplicates Z: 15 14.920 1.756 0.451 0.872 0.929 0.500 CB 1.228 15 residues pruned to eliminate duplicates Z: 14 17.772 1.902 0.545 0.894 0.846 0.462 CB 1.422 14 residues pruned to eliminate duplicates Z: 16 15.652 1.835 0.361 0.828 0.933 0.400 CB 1.305 16 residues pruned to eliminate duplicates Z: 12 17.986 1.882 0.515 0.891 0.909 0.455 CB 1.504 12 residues pruned to eliminate duplicates Z: 11 18.171 1.932 0.488 0.892 0.900 0.400 CB 1.596 11 residues pruned to eliminate duplicates Z: 11 13.588 1.889 0.407 0.845 0.800 0.300 CB 1.502 11 residues pruned to eliminate duplicates Z: 15 12.382 2.042 0.386 0.393 0.786 0.286 CB 1.666 15 residues pruned to eliminate duplicates Z: 15 15.723 2.039 0.549 0.431 0.857 0.357 CB 1.668 13 residues pruned to eliminate duplicates Z: 6 4.869 1.504 0.498 0.367 1.000 0.400 CA 1.115 6 residues pruned to eliminate duplicates Z: 15 16.067 2.032 0.412 0.509 0.929 0.357 CA 1.597 16 residues pruned to eliminate duplicates Z: 10 15.845 2.057 0.534 0.571 0.889 0.444 C 1.759 10 residues pruned to eliminate duplicates Z: 13 14.014 2.077 0.511 0.572 0.750 0.500 CB 1.603 13 residues pruned to eliminate duplicates Z: 13 18.473 2.152 0.461 0.570 0.917 0.500 CB 1.729 13 residues pruned to eliminate duplicates Z: 7 18.448 2.185 0.512 0.704 1.000 0.667 CB 1.895 7 residues pruned to eliminate duplicates Z: 8 14.314 2.006 0.444 0.676 1.000 0.571 CB 1.589 8 residues pruned to eliminate duplicates Z: 14 15.009 2.070 0.340 0.577 0.846 0.615 CB 1.647 14 residues pruned to eliminate duplicates Z: 8 14.411 2.260 0.403 0.623 0.857 0.571 CB 1.784 8 residues pruned to eliminate duplicates Z: 42 26.804 2.062 0.264 0.585 0.976 0.829 CB 1.518 Z: 11 17.482 1.924 0.553 0.632 1.000 0.500 CB 1.635 11 residues pruned to eliminate duplicates Z: 31 24.266 2.055 0.340 0.650 0.900 0.667 CB 1.556 32 residues pruned to eliminate duplicates Z: 8 19.514 2.069 0.543 0.801 1.000 0.571 CA 1.776 8 residues pruned to eliminate duplicates Z: 16 13.309 2.045 0.293 0.497 0.867 0.733 CB 1.504 16 residues pruned to eliminate duplicates Z: 44 28.950 2.045 0.419 0.617 0.930 0.721 CB 1.464 46 residues pruned to eliminate duplicates Z: 8 15.699 2.126 0.371 0.841 0.857 0.857 CB 1.772 8 residues pruned to eliminate duplicates Z: 39 28.788 2.157 0.406 0.595 0.947 0.632 CB 1.485 39 residues pruned to eliminate duplicates Z: 41 27.522 2.099 0.367 0.600 0.975 0.675 CB 1.415 42 residues pruned to eliminate duplicates Z: 10 12.311 1.788 0.451 0.694 1.000 0.778 CB 1.325 10 residues pruned to eliminate duplicates Z: 40 28.842 2.161 0.400 0.589 0.949 0.667 CB 1.477 40 residues pruned to eliminate duplicates Z: 13 20.915 2.141 0.264 0.857 1.000 0.917 CB 1.644 13 residues pruned to eliminate duplicates Z: 40 28.272 2.099 0.346 0.609 0.974 0.795 CB 1.483 40 residues pruned to eliminate duplicates Z: 20 20.845 1.990 0.305 0.757 1.000 0.842 CB 1.465 20 residues pruned to eliminate duplicates Z: 33 19.790 1.974 0.371 0.616 0.844 0.656 CB 1.372 33 residues pruned to eliminate duplicates Z: 38 21.985 1.947 0.359 0.582 0.919 0.676 CB 1.373 38 residues pruned to eliminate duplicates Z: 20 21.782 1.998 0.388 0.743 1.000 0.737 CB 1.451 20 residues pruned to eliminate duplicates Z: 19 25.418 2.079 0.543 0.796 1.000 0.833 CB 1.442 19 residues pruned to eliminate duplicates Z: 22 16.475 1.910 0.212 0.676 0.952 0.762 CB 1.387 22 residues pruned to eliminate duplicates Z: 20 17.885 1.992 0.250 0.753 0.947 0.684 CB 1.389 20 residues pruned to eliminate duplicates Z: 33 19.957 1.976 0.356 0.602 0.844 0.594 CB 1.415 33 residues pruned to eliminate duplicates Z: 20 20.566 2.005 0.317 0.744 1.000 0.842 CB 1.437 20 residues pruned to eliminate duplicates Z: 21 15.303 1.912 0.289 0.678 0.900 0.500 CB 1.310 21 residues pruned to eliminate duplicates Z: 32 18.015 1.998 0.279 0.576 0.839 0.548 CB 1.404 32 residues pruned to eliminate duplicates Z: 21 16.508 1.960 0.324 0.706 0.900 0.850 CB 1.310 21 residues pruned to eliminate duplicates Z: 20 20.467 2.014 0.338 0.749 1.000 0.789 CB 1.395 20 residues pruned to eliminate duplicates Z: 21 18.451 1.969 0.287 0.714 0.950 0.750 CB 1.411 21 residues pruned to eliminate duplicates Z: 21 16.985 1.928 0.466 0.715 0.850 0.600 CB 1.301 21 residues pruned to eliminate duplicates Z: 32 21.392 2.058 0.538 0.567 0.903 0.613 CB 1.260 47 residues pruned to eliminate duplicates Z: 18 17.513 2.031 0.577 0.634 0.941 0.588 CB 1.243 Z: 15 18.419 2.036 0.450 0.851 1.000 0.929 CB 1.234 17 residues pruned to eliminate duplicates Z: 15 23.352 2.122 0.566 0.825 1.000 0.786 CB 1.417 16 residues pruned to eliminate duplicates Z: 14 21.701 2.196 0.608 0.866 0.923 0.615 CB 1.352 15 residues pruned to eliminate duplicates Z: 11 18.488 2.206 0.371 0.923 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 17 14.950 2.105 0.453 0.617 0.812 0.500 CB 1.347 17 residues pruned to eliminate duplicates Z: 17 18.067 2.146 0.493 0.683 0.875 0.562 CB 1.363 17 residues pruned to eliminate duplicates Z: 13 22.383 2.231 0.559 0.815 1.000 0.750 CB 1.412 13 residues pruned to eliminate duplicates Z: 14 19.983 2.216 0.331 0.837 1.000 0.692 CB 1.405 14 residues pruned to eliminate duplicates Z: 15 21.650 2.229 0.613 0.756 0.929 0.643 CB 1.380 15 residues pruned to eliminate duplicates Z: 14 21.644 2.189 0.635 0.850 0.923 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 16 22.126 2.201 0.642 0.715 1.000 0.733 CB 1.302 16 residues pruned to eliminate duplicates Z: 21 21.040 2.193 0.711 0.483 0.900 0.550 CB 1.418 21 residues pruned to eliminate duplicates Z: 27 16.016 2.007 0.472 0.433 0.885 0.654 CB 1.288 27 residues pruned to eliminate duplicates Z: 23 17.140 2.072 0.502 0.500 0.955 0.636 CB 1.230 23 residues pruned to eliminate duplicates Z: 21 18.545 2.167 0.516 0.424 0.950 0.500 CB 1.437 21 residues pruned to eliminate duplicates Z: 22 17.991 2.085 0.592 0.411 0.952 0.667 CB 1.363 22 residues pruned to eliminate duplicates Z: 30 16.471 1.971 0.591 0.346 0.897 0.552 CB 1.286 30 residues pruned to eliminate duplicates Z: 25 17.983 2.087 0.402 0.430 0.958 0.583 CB 1.406 25 residues pruned to eliminate duplicates Z: 21 20.229 2.195 0.522 0.499 0.950 0.700 CB 1.426 21 residues pruned to eliminate duplicates Z: 21 18.128 2.171 0.624 0.486 0.850 0.600 CB 1.371 21 residues pruned to eliminate duplicates Z: 15 18.724 2.348 0.497 0.561 0.857 0.643 CB 1.565 15 residues pruned to eliminate duplicates Z: 25 12.667 2.069 0.405 0.392 0.750 0.542 CB 1.329 25 residues pruned to eliminate duplicates Z: 26 16.974 2.040 0.487 0.409 0.920 0.480 CB 1.339 26 residues pruned to eliminate duplicates Z: 19 16.514 2.151 0.475 0.417 0.889 0.500 CB 1.505 19 residues pruned to eliminate duplicates Z: 37 30.910 2.278 0.538 0.493 0.889 0.583 CB 1.665 38 residues pruned to eliminate duplicates Z: 6 5.784 1.498 0.688 0.368 1.000 0.600 C 1.179 6 residues pruned to eliminate duplicates Z: 27 23.191 2.196 0.555 0.483 0.923 0.500 CB 1.467 27 residues pruned to eliminate duplicates Z: 22 22.335 2.141 0.535 0.509 0.905 0.619 CB 1.624 22 residues pruned to eliminate duplicates Z: 21 24.396 2.239 0.717 0.526 0.900 0.700 CB 1.537 20 residues pruned to eliminate duplicates Z: 6 3.447 1.576 0.409 0.540 1.000 0.600 CB 0.668 6 residues pruned to eliminate duplicates Z: 19 22.187 2.009 0.804 0.592 0.944 0.722 CB 1.400 18 residues pruned to eliminate duplicates Z: 9 15.641 1.989 0.302 0.779 1.000 0.750 CB 1.670 9 residues pruned to eliminate duplicates Z: 22 22.230 2.156 0.552 0.522 0.857 0.619 CB 1.654 22 residues pruned to eliminate duplicates Z: 22 26.151 2.160 0.675 0.540 0.905 0.619 CB 1.676 22 residues pruned to eliminate duplicates Z: 23 19.658 2.085 0.629 0.520 0.818 0.500 CB 1.479 23 residues pruned to eliminate duplicates Z: 16 12.862 1.840 0.719 0.499 0.800 0.400 CA 1.314 16 residues pruned to eliminate duplicates Z: 39 27.115 2.174 0.650 0.500 0.868 0.658 CB 1.412 39 residues pruned to eliminate duplicates Z: 20 19.321 2.111 0.459 0.570 0.842 0.684 CB 1.598 22 residues pruned to eliminate duplicates Z: 10 10.735 1.763 0.305 0.832 1.000 0.889 CB 1.168 10 residues pruned to eliminate duplicates Z: 20 21.918 2.096 0.616 0.585 0.842 0.526 CB 1.625 20 residues pruned to eliminate duplicates Z: 8 9.946 2.015 0.099 0.888 1.000 0.857 CB 1.224 8 residues pruned to eliminate duplicates Z: 19 23.241 2.233 0.608 0.635 0.889 0.667 CB 1.512 19 residues pruned to eliminate duplicates Z: 20 21.389 2.170 0.665 0.639 0.842 0.526 CB 1.416 20 residues pruned to eliminate duplicates Z: 20 22.400 2.183 0.608 0.596 0.895 0.579 CB 1.493 20 residues pruned to eliminate duplicates Z: 21 16.249 2.038 0.465 0.574 0.850 0.500 CB 1.333 21 residues pruned to eliminate duplicates Z: 19 19.531 2.189 0.544 0.567 0.833 0.611 CB 1.532 19 residues pruned to eliminate duplicates Z: 32 26.799 2.169 0.602 0.600 0.903 0.613 CB 1.395 34 residues pruned to eliminate duplicates Z: 10 13.068 2.144 0.626 0.571 0.778 0.222 CB 1.500 10 residues pruned to eliminate duplicates Z: 19 21.356 2.220 0.480 0.650 0.889 0.667 CB 1.500 19 residues pruned to eliminate duplicates Z: 20 19.273 2.118 0.544 0.615 0.842 0.684 CB 1.440 20 residues pruned to eliminate duplicates Z: 19 22.391 2.267 0.563 0.592 0.889 0.611 CB 1.534 19 residues pruned to eliminate duplicates Z: 9 10.930 1.861 0.598 0.605 1.000 0.625 CB 1.176 9 residues pruned to eliminate duplicates Z: 39 27.161 2.082 0.565 0.614 0.895 0.553 CB 1.356 39 residues pruned to eliminate duplicates Z: 68 48.330 2.282 0.559 0.573 0.955 0.597 CB 1.619 68 residues pruned to eliminate duplicates Z: 10 17.155 2.257 0.483 0.680 1.000 0.667 CB 1.448 Z: 6 3.167 1.648 0.321 0.388 1.000 0.600 CB 0.733 6 residues pruned to eliminate duplicates Z: 11 17.098 2.290 0.338 0.706 0.900 0.800 CB 1.625 21 residues pruned to eliminate duplicates Z: 11 15.653 2.247 0.292 0.675 0.900 0.900 CB 1.612 11 residues pruned to eliminate duplicates Z: 15 13.076 2.269 0.054 0.538 0.857 0.571 CB 1.643 15 residues pruned to eliminate duplicates Z: 77 40.226 2.224 0.394 0.547 0.908 0.658 CB 1.566 77 residues pruned to eliminate duplicates Z: 68 47.128 2.298 0.460 0.558 0.955 0.597 CB 1.698 68 residues pruned to eliminate duplicates Z: 13 11.214 1.975 0.246 0.447 0.917 0.583 CB 1.517 13 residues pruned to eliminate duplicates Z: 24 26.745 2.216 0.580 0.546 0.957 0.652 CB 1.592 24 residues pruned to eliminate duplicates Z: 31 31.088 2.194 0.431 0.625 0.967 0.667 CB 1.661 31 residues pruned to eliminate duplicates Z: 24 25.698 2.251 0.358 0.558 1.000 0.609 CB 1.656 24 residues pruned to eliminate duplicates Z: 60 50.330 2.330 0.641 0.567 0.915 0.542 CB 1.755 60 residues pruned to eliminate duplicates Z: 60 43.574 2.325 0.487 0.573 0.898 0.695 CB 1.702 60 residues pruned to eliminate duplicates Z: 63 45.567 2.292 0.550 0.557 0.919 0.597 CB 1.676 116 residues pruned to eliminate duplicates Z: 66 42.615 2.244 0.516 0.539 0.969 0.538 CB 1.543 66 residues pruned to eliminate duplicates Z: 34 29.000 2.155 0.798 0.543 0.909 0.515 CB 1.374 34 residues pruned to eliminate duplicates Z: 25 20.256 2.199 0.559 0.480 0.833 0.375 CB 1.477 25 residues pruned to eliminate duplicates Z: 30 30.604 2.267 0.497 0.606 0.931 0.414 CB 1.625 30 residues pruned to eliminate duplicates Z: 22 27.510 2.182 0.729 0.545 0.952 0.619 CB 1.599 22 residues pruned to eliminate duplicates Z: 61 47.486 2.351 0.538 0.542 0.933 0.567 CB 1.744 61 residues pruned to eliminate duplicates Z: 34 35.767 2.249 0.730 0.592 0.939 0.455 CB 1.560 34 residues pruned to eliminate duplicates Z: 30 36.193 2.309 0.692 0.631 0.931 0.655 CB 1.635 30 residues pruned to eliminate duplicates Z: 67 56.288 2.317 0.654 0.593 0.970 0.667 CB 1.707 65 residues pruned to eliminate duplicates Z: 14 28.335 2.211 0.984 0.759 0.923 0.308 CA 1.541 14 residues pruned to eliminate duplicates Z: 64 52.829 2.354 0.569 0.577 0.937 0.603 CB 1.787 64 residues pruned to eliminate duplicates Z: 65 49.162 2.327 0.471 0.563 1.000 0.578 CB 1.689 65 residues pruned to eliminate duplicates Z: 57 45.328 2.321 0.535 0.550 0.929 0.536 CB 1.744 57 residues pruned to eliminate duplicates Z: 42 36.150 2.300 0.527 0.502 0.951 0.634 CA 1.686 42 residues pruned to eliminate duplicates Z: 67 48.875 2.297 0.467 0.579 0.955 0.576 CA 1.733 67 residues pruned to eliminate duplicates Z: 66 46.566 2.306 0.554 0.555 0.923 0.615 CB 1.655 66 residues pruned to eliminate duplicates Z: 67 52.227 2.318 0.621 0.588 0.939 0.621 CB 1.674 67 residues pruned to eliminate duplicates Z: 36 43.372 2.404 0.532 0.619 1.000 0.686 CA 1.779 36 residues pruned to eliminate duplicates Z: 66 48.004 2.327 0.556 0.585 0.923 0.554 CB 1.642 66 residues pruned to eliminate duplicates Z: 56 48.960 2.388 0.569 0.584 0.945 0.655 CB 1.719 58 residues pruned to eliminate duplicates Z: 7 11.260 2.038 0.571 0.491 0.833 0.667 CA 1.739 7 residues pruned to eliminate duplicates Z: 61 54.785 2.330 0.673 0.558 0.950 0.617 CB 1.806 61 residues pruned to eliminate duplicates Z: 66 44.015 2.257 0.615 0.538 0.908 0.600 CB 1.590 65 residues pruned to eliminate duplicates Z: 17 30.572 2.374 0.487 0.736 1.000 0.750 CA 1.752 17 residues pruned to eliminate duplicates Z: 65 55.312 2.372 0.576 0.587 0.953 0.594 CB 1.786 65 residues pruned to eliminate duplicates Z: 55 49.834 2.332 0.630 0.598 0.944 0.574 CB 1.720 55 residues pruned to eliminate duplicates Z: 68 48.727 2.286 0.643 0.531 0.955 0.612 CB 1.609 68 residues pruned to eliminate duplicates Z: 64 50.995 2.373 0.514 0.589 0.921 0.667 CB 1.783 64 residues pruned to eliminate duplicates Z: 66 53.044 2.347 0.523 0.594 0.969 0.615 CB 1.736 66 residues pruned to eliminate duplicates Z: 70 46.218 2.265 0.568 0.529 0.928 0.609 CB 1.642 70 residues pruned to eliminate duplicates Z: 66 43.630 2.303 0.477 0.519 0.923 0.569 CB 1.692 66 residues pruned to eliminate duplicates Z: 66 41.364 2.258 0.498 0.518 0.954 0.600 CB 1.561 66 residues pruned to eliminate duplicates Z: 62 51.078 2.324 0.537 0.592 0.984 0.689 CB 1.705 62 residues pruned to eliminate duplicates Z: 33 38.689 2.343 0.559 0.554 0.969 0.719 CA 1.835 33 residues pruned to eliminate duplicates Z: 58 44.513 2.287 0.495 0.559 0.965 0.579 CB 1.688 58 residues pruned to eliminate duplicates Z: 38 39.619 2.315 0.502 0.562 1.000 0.541 CA 1.764 38 residues pruned to eliminate duplicates Z: 49 33.681 2.202 0.506 0.487 0.958 0.625 CB 1.550 49 residues pruned to eliminate duplicates Z: 60 52.046 2.371 0.617 0.561 0.932 0.627 CB 1.785 60 residues pruned to eliminate duplicates Z: 65 51.328 2.364 0.546 0.578 0.938 0.547 CB 1.737 65 residues pruned to eliminate duplicates Z: 66 46.965 2.364 0.424 0.575 0.954 0.600 CB 1.687 66 residues pruned to eliminate duplicates Z: 64 52.101 2.382 0.469 0.603 0.968 0.651 CB 1.756 64 residues pruned to eliminate duplicates Z: 52 36.558 2.217 0.537 0.487 0.941 0.569 CA 1.617 52 residues pruned to eliminate duplicates Z: 67 47.227 2.315 0.537 0.577 0.909 0.591 CB 1.668 67 residues pruned to eliminate duplicates Z: 53 50.005 2.380 0.580 0.608 0.962 0.635 CA 1.730 53 residues pruned to eliminate duplicates Z: 63 52.056 2.360 0.550 0.587 0.968 0.613 CB 1.718 63 residues pruned to eliminate duplicates Z: 81 50.860 2.261 0.519 0.588 0.925 0.613 CB 1.644 81 residues pruned to eliminate duplicates Z: 84 54.332 2.281 0.595 0.596 0.928 0.590 CB 1.612 84 residues pruned to eliminate duplicates Z: 68 44.656 2.232 0.477 0.564 0.910 0.627 CB 1.709 68 residues pruned to eliminate duplicates Z: 19 13.010 1.939 0.282 0.620 0.833 0.667 CB 1.321 19 residues pruned to eliminate duplicates Z: 84 52.181 2.245 0.586 0.608 0.940 0.614 CB 1.545 84 residues pruned to eliminate duplicates Z: 85 53.717 2.252 0.543 0.611 0.940 0.571 CB 1.615 85 residues pruned to eliminate duplicates Z: 29 23.035 2.035 0.275 0.675 1.000 0.643 CB 1.428 29 residues pruned to eliminate duplicates Z: 28 22.478 2.035 0.364 0.683 0.963 0.667 CB 1.368 28 residues pruned to eliminate duplicates Z: 27 18.371 2.110 0.230 0.648 0.923 0.577 CB 1.309 27 residues pruned to eliminate duplicates Z: 86 48.994 2.218 0.515 0.566 0.941 0.576 CB 1.575 86 residues pruned to eliminate duplicates Z: 19 17.369 2.081 0.303 0.775 1.000 0.500 CB 1.185 19 residues pruned to eliminate duplicates Z: 29 21.609 2.077 0.248 0.667 1.000 0.536 CB 1.350 29 residues pruned to eliminate duplicates Z: 32 19.490 1.988 0.251 0.615 0.935 0.484 CB 1.350 32 residues pruned to eliminate duplicates Z: 30 25.030 2.036 0.503 0.646 0.931 0.586 CB 1.424 30 residues pruned to eliminate duplicates Z: 28 21.965 2.077 0.350 0.684 0.926 0.667 CB 1.375 28 residues pruned to eliminate duplicates Z: 93 53.532 2.252 0.537 0.589 0.913 0.576 CB 1.622 93 residues pruned to eliminate duplicates Z: 29 23.221 2.051 0.332 0.671 1.000 0.536 CB 1.372 29 residues pruned to eliminate duplicates Z: 28 20.825 2.002 0.411 0.662 0.889 0.556 CB 1.373 28 residues pruned to eliminate duplicates Z: 29 24.891 2.066 0.439 0.675 0.929 0.643 CB 1.451 29 residues pruned to eliminate duplicates Z: 31 24.261 1.957 0.604 0.632 1.000 0.367 CB 1.247 31 residues pruned to eliminate duplicates Z: 91 51.243 2.243 0.518 0.595 0.911 0.633 CB 1.591 91 residues pruned to eliminate duplicates Z: 29 25.689 2.032 0.556 0.678 0.964 0.500 CB 1.352 29 residues pruned to eliminate duplicates Z: 26 26.185 2.114 0.544 0.650 0.960 0.400 CB 1.453 26 residues pruned to eliminate duplicates Z: 30 27.627 2.077 0.620 0.661 0.966 0.552 CB 1.361 30 residues pruned to eliminate duplicates Z: 17 25.973 2.104 0.680 0.741 1.000 0.625 CB 1.480 17 residues pruned to eliminate duplicates Z: 30 26.588 2.068 0.489 0.665 1.000 0.690 CB 1.376 30 residues pruned to eliminate duplicates Z: 30 26.914 2.072 0.612 0.644 0.966 0.448 CB 1.354 30 residues pruned to eliminate duplicates Z: 32 23.935 2.009 0.555 0.609 0.935 0.516 CB 1.326 32 residues pruned to eliminate duplicates 396 residues left after pruning, divided into chains as follows: A: 10 B: 16 C: 10 D: 16 E: 14 F: 222 G: 108 CC for partial structure against native data = 27.21 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.501, Connect. = 0.744 for dens.mod. cycle 1 = 0.299, Contrast = 0.553, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.688, Connect. = 0.798 for dens.mod. cycle 3 = 0.299, Contrast = 0.700, Connect. = 0.800 for dens.mod. cycle 4 = 0.299, Contrast = 0.711, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.717, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.723, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.727, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.730, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.732, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2890 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 556 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 30.445 2.389 0.594 0.895 1.000 0.917 CA 1.654 B: 15 28.735 2.322 0.554 0.870 1.000 0.857 CB 1.554 14 residues pruned to eliminate duplicates C: 21 37.404 2.394 0.608 0.936 0.900 0.450 CB 1.681 D: 15 24.581 2.268 0.443 0.904 1.000 0.786 CB 1.430 E: 18 37.655 2.210 0.932 0.897 0.941 0.294 CB 1.627 19 residues pruned to eliminate duplicates F: 14 42.731 2.501 0.797 0.911 1.000 0.769 CA 1.870 G: 50 33.462 2.161 0.576 0.562 0.918 0.612 CB 1.439 H: 21 44.763 2.410 0.610 0.934 1.000 0.700 CB 1.799 20 residues pruned to eliminate duplicates I: 17 19.781 2.092 0.420 0.871 0.938 0.812 CA 1.295 J: 15 41.499 2.418 0.930 0.867 1.000 0.643 CA 1.739 15 residues pruned to eliminate duplicates K: 14 27.237 2.456 0.169 0.901 1.000 1.000 CA 1.877 14 residues pruned to eliminate duplicates L: 16 20.123 2.284 0.092 0.804 0.933 0.600 CA 1.712 M: 15 22.792 2.300 0.328 0.863 0.857 0.643 CA 1.707 15 residues pruned to eliminate duplicates N: 21 43.248 2.349 0.634 0.950 1.000 0.750 CB 1.738 22 residues pruned to eliminate duplicates O: 13 11.376 2.037 0.367 0.545 0.833 0.667 CB 1.355 P: 19 24.025 2.397 0.158 0.735 0.944 0.722 CB 1.748 16 residues pruned to eliminate duplicates Q: 15 24.660 2.287 0.517 0.785 0.857 0.714 CA 1.724 15 residues pruned to eliminate duplicates R: 7 14.747 1.971 0.393 0.864 1.000 0.833 N 1.608 7 residues pruned to eliminate duplicates S: 16 27.512 2.273 0.463 0.870 1.000 0.600 CA 1.560 16 residues pruned to eliminate duplicates T: 14 32.904 2.409 0.643 0.873 1.000 0.385 CA 1.679 15 residues pruned to eliminate duplicates U: 10 7.924 2.269 0.024 0.229 0.889 0.556 CA 1.755 V: 20 16.300 2.037 0.585 0.478 0.947 0.632 CB 1.250 20 residues pruned to eliminate duplicates W: 18 22.118 2.076 0.561 0.816 0.882 0.588 CB 1.426 17 residues pruned to eliminate duplicates X: 22 45.321 2.331 0.837 0.921 1.000 0.571 CB 1.626 21 residues pruned to eliminate duplicates Y: 6 5.779 1.703 0.164 0.734 0.800 0.400 CB 1.321 Z: 6 5.926 2.171 0.247 0.485 0.600 0.600 N 1.657 6 residues pruned to eliminate duplicates Z: 39 45.673 2.425 0.643 0.526 0.974 0.500 CB 1.862 18 residues pruned to eliminate duplicates Z: 18 17.410 2.241 0.375 0.521 0.824 0.824 CB 1.629 9 residues pruned to eliminate duplicates Z: 14 17.043 2.155 0.152 0.918 1.000 1.000 CB 1.342 Z: 7 15.481 1.925 0.523 0.875 1.000 0.833 N 1.568 7 residues pruned to eliminate duplicates Z: 15 21.889 2.350 0.371 0.864 0.786 0.571 CB 1.694 15 residues pruned to eliminate duplicates Z: 61 47.979 2.361 0.589 0.522 0.917 0.533 CB 1.763 61 residues pruned to eliminate duplicates Z: 13 18.531 2.167 0.222 0.891 1.000 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 14 15.841 2.109 0.166 0.898 0.923 0.923 CB 1.384 14 residues pruned to eliminate duplicates Z: 15 35.486 2.401 0.821 0.811 0.929 0.857 CA 1.781 15 residues pruned to eliminate duplicates Z: 15 22.042 2.286 0.303 0.880 0.857 0.786 CA 1.672 15 residues pruned to eliminate duplicates Z: 83 44.924 2.382 0.375 0.528 0.890 0.524 CB 1.655 39 residues pruned to eliminate duplicates Z: 15 20.164 2.314 0.281 0.850 0.857 0.714 CA 1.570 15 residues pruned to eliminate duplicates Z: 14 9.670 1.798 0.584 0.321 0.846 0.615 CB 1.356 Z: 126 62.687 2.369 0.509 0.536 0.952 0.640 CB 1.590 104 residues pruned to eliminate duplicates Z: 15 24.198 2.349 0.392 0.832 0.929 0.786 CA 1.599 15 residues pruned to eliminate duplicates Z: 65 57.651 2.435 0.665 0.553 0.953 0.594 CB 1.770 65 residues pruned to eliminate duplicates Z: 37 27.728 2.235 0.599 0.455 0.833 0.528 CB 1.625 37 residues pruned to eliminate duplicates Z: 15 20.890 2.252 0.444 0.856 0.929 0.857 CB 1.363 15 residues pruned to eliminate duplicates Z: 20 43.890 2.378 0.671 0.916 1.000 0.842 CB 1.789 20 residues pruned to eliminate duplicates Z: 14 26.213 2.398 0.512 0.858 0.846 0.462 CA 1.745 14 residues pruned to eliminate duplicates Z: 13 44.908 2.487 0.978 0.931 1.000 0.833 CB 1.842 13 residues pruned to eliminate duplicates Z: 14 35.332 2.502 0.510 0.887 1.000 0.923 CB 1.870 14 residues pruned to eliminate duplicates Z: 21 40.947 2.382 0.898 0.932 0.900 0.500 CB 1.572 30 residues pruned to eliminate duplicates Z: 21 38.232 2.325 0.421 0.926 1.000 0.900 CB 1.815 21 residues pruned to eliminate duplicates Z: 20 34.527 2.292 0.685 0.929 0.895 0.263 CB 1.605 20 residues pruned to eliminate duplicates Z: 15 13.112 1.970 0.183 0.917 1.000 0.714 CB 1.062 15 residues pruned to eliminate duplicates Z: 8 7.830 1.914 0.343 0.667 0.714 0.429 CB 1.381 Z: 6 7.173 2.207 -0.067 0.828 0.800 0.600 CB 1.466 6 residues pruned to eliminate duplicates Z: 16 27.100 2.302 0.565 0.822 0.933 0.533 CA 1.574 16 residues pruned to eliminate duplicates Z: 11 16.440 1.971 0.550 0.911 1.000 0.900 CA 1.206 Z: 61 49.201 2.364 0.526 0.529 0.933 0.467 CB 1.834 61 residues pruned to eliminate duplicates Z: 14 28.470 2.399 0.513 0.853 0.923 0.615 CB 1.742 14 residues pruned to eliminate duplicates Z: 9 12.845 2.001 0.352 0.896 0.875 0.750 CB 1.374 9 residues pruned to eliminate duplicates Z: 22 39.774 2.308 0.666 0.916 0.952 0.524 CB 1.673 22 residues pruned to eliminate duplicates Z: 18 27.722 2.310 0.267 0.896 0.941 0.765 CA 1.749 18 residues pruned to eliminate duplicates Z: 30 32.209 2.378 0.780 0.540 0.897 0.448 CB 1.516 30 residues pruned to eliminate duplicates Z: 12 18.321 2.175 0.399 0.922 1.000 0.909 CB 1.276 12 residues pruned to eliminate duplicates Z: 11 15.104 2.014 0.342 0.853 1.000 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 20 42.854 2.391 0.697 0.938 1.000 0.632 CB 1.685 20 residues pruned to eliminate duplicates Z: 11 19.647 2.180 0.512 0.909 1.000 0.800 CB 1.338 11 residues pruned to eliminate duplicates Z: 56 30.303 2.220 0.376 0.513 0.891 0.545 CB 1.482 56 residues pruned to eliminate duplicates Z: 9 12.352 1.833 0.212 0.849 1.000 0.875 CB 1.458 9 residues pruned to eliminate duplicates Z: 15 30.011 2.347 0.591 0.907 0.929 0.857 CA 1.644 15 residues pruned to eliminate duplicates Z: 13 52.700 2.548 1.268 0.945 1.000 0.917 CA 1.822 13 residues pruned to eliminate duplicates Z: 48 46.145 2.396 0.456 0.586 1.000 0.596 CB 1.776 48 residues pruned to eliminate duplicates Z: 20 40.342 2.377 0.791 0.933 0.895 0.474 CB 1.695 20 residues pruned to eliminate duplicates Z: 21 26.515 2.198 0.487 0.732 1.000 0.550 CB 1.472 14 residues pruned to eliminate duplicates Z: 13 20.654 2.015 0.658 0.889 0.917 0.583 CB 1.401 Z: 27 25.540 2.100 0.597 0.661 1.000 0.692 CB 1.286 26 residues pruned to eliminate duplicates Z: 38 34.559 2.418 0.345 0.537 0.946 0.595 CA 1.781 38 residues pruned to eliminate duplicates Z: 17 32.939 2.187 0.904 0.898 0.938 0.750 CB 1.509 10 residues pruned to eliminate duplicates Z: 13 15.004 2.025 0.636 0.875 0.833 0.500 CB 1.141 13 residues pruned to eliminate duplicates Z: 14 14.694 2.039 0.133 0.918 1.000 0.846 CB 1.244 14 residues pruned to eliminate duplicates Z: 35 32.805 2.400 0.543 0.491 0.882 0.647 CB 1.737 35 residues pruned to eliminate duplicates Z: 17 27.435 2.160 0.500 0.916 1.000 0.812 CA 1.495 17 residues pruned to eliminate duplicates Z: 6 7.480 1.819 0.109 0.826 1.000 0.600 CA 1.250 6 residues pruned to eliminate duplicates Z: 22 34.716 2.318 0.345 0.931 1.000 0.714 CB 1.698 22 residues pruned to eliminate duplicates Z: 12 23.624 2.180 0.830 0.915 1.000 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 15 27.860 2.286 0.571 0.819 0.929 0.500 CB 1.693 15 residues pruned to eliminate duplicates Z: 89 56.362 2.359 0.582 0.605 0.966 0.489 CB 1.508 69 residues pruned to eliminate duplicates Z: 149 72.241 2.393 0.572 0.572 0.919 0.547 CB 1.603 149 residues pruned to eliminate duplicates Z: 22 31.268 2.293 0.361 0.933 0.905 0.810 CB 1.686 22 residues pruned to eliminate duplicates Z: 12 8.087 1.952 0.366 0.340 0.909 0.455 CB 1.197 11 residues pruned to eliminate duplicates Z: 9 13.747 1.948 0.230 0.856 1.000 0.625 CB 1.496 8 residues pruned to eliminate duplicates Z: 56 46.037 2.377 0.538 0.547 0.909 0.564 CB 1.784 56 residues pruned to eliminate duplicates Z: 14 13.316 2.088 0.040 0.893 0.923 0.846 CA 1.323 14 residues pruned to eliminate duplicates Z: 12 33.169 2.461 0.562 0.891 1.000 1.000 CB 1.870 12 residues pruned to eliminate duplicates Z: 37 39.111 2.391 0.452 0.533 0.972 0.639 CB 1.868 37 residues pruned to eliminate duplicates Z: 54 49.330 2.422 0.696 0.551 0.943 0.585 CB 1.664 54 residues pruned to eliminate duplicates Z: 113 60.520 2.387 0.520 0.552 0.929 0.598 CB 1.613 113 residues pruned to eliminate duplicates Z: 22 42.464 2.304 0.711 0.932 1.000 0.619 CB 1.642 22 residues pruned to eliminate duplicates Z: 17 26.149 2.154 0.626 0.888 0.938 0.688 CB 1.434 17 residues pruned to eliminate duplicates Z: 64 44.707 2.333 0.515 0.514 0.905 0.571 CB 1.738 64 residues pruned to eliminate duplicates Z: 44 36.230 2.175 0.607 0.591 0.907 0.628 CB 1.597 44 residues pruned to eliminate duplicates Z: 10 16.987 1.961 0.762 0.894 0.889 0.556 CB 1.323 10 residues pruned to eliminate duplicates Z: 6 4.869 2.068 -0.076 0.582 0.800 0.400 CB 1.317 6 residues pruned to eliminate duplicates Z: 18 27.161 2.120 0.498 0.931 1.000 0.765 CB 1.449 18 residues pruned to eliminate duplicates Z: 16 20.828 2.192 0.310 0.899 0.867 0.533 CB 1.544 16 residues pruned to eliminate duplicates Z: 9 17.258 2.206 0.544 0.702 0.875 0.750 CA 1.703 10 residues pruned to eliminate duplicates Z: 16 26.983 2.292 0.626 0.756 0.867 0.667 CA 1.718 16 residues pruned to eliminate duplicates Z: 13 18.325 2.302 0.139 0.894 1.000 0.833 CA 1.447 13 residues pruned to eliminate duplicates Z: 12 18.470 2.422 0.473 0.600 1.000 0.636 CB 1.418 12 residues pruned to eliminate duplicates Z: 12 12.081 1.850 0.569 0.501 0.909 0.545 CA 1.379 12 residues pruned to eliminate duplicates Z: 84 45.479 2.331 0.388 0.534 0.928 0.494 CB 1.608 84 residues pruned to eliminate duplicates Z: 17 17.199 2.010 0.184 0.926 1.000 0.688 CB 1.267 17 residues pruned to eliminate duplicates Z: 10 19.908 2.041 0.526 0.863 1.000 0.778 CA 1.564 10 residues pruned to eliminate duplicates Z: 16 26.903 2.256 0.370 0.919 1.000 1.000 CB 1.584 16 residues pruned to eliminate duplicates Z: 15 20.529 2.302 0.219 0.833 0.929 0.786 CA 1.579 15 residues pruned to eliminate duplicates Z: 59 47.316 2.376 0.608 0.571 0.914 0.603 CB 1.661 59 residues pruned to eliminate duplicates Z: 19 15.859 2.041 0.245 0.566 0.833 0.667 CB 1.655 20 residues pruned to eliminate duplicates Z: 37 25.416 2.222 0.563 0.459 0.806 0.444 CB 1.579 37 residues pruned to eliminate duplicates Z: 11 15.738 2.161 0.498 0.704 0.800 0.800 CA 1.596 9 residues pruned to eliminate duplicates Z: 16 30.999 2.291 0.930 0.841 0.933 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 16 9.246 1.950 0.495 0.465 0.800 0.533 CB 1.061 16 residues pruned to eliminate duplicates Z: 15 13.204 2.211 0.470 0.476 0.786 0.429 CB 1.415 15 residues pruned to eliminate duplicates Z: 11 12.044 2.055 0.242 0.652 0.900 0.600 CB 1.440 11 residues pruned to eliminate duplicates Z: 17 23.285 2.087 0.579 0.825 0.938 0.375 CA 1.422 17 residues pruned to eliminate duplicates Z: 8 14.208 2.073 0.498 0.894 1.000 0.714 CB 1.240 Z: 30 21.315 2.013 0.352 0.689 0.931 0.724 CB 1.314 22 residues pruned to eliminate duplicates Z: 8 12.618 1.973 0.256 0.887 1.000 1.000 CB 1.387 8 residues pruned to eliminate duplicates Z: 16 31.711 2.295 0.967 0.875 1.000 0.733 CB 1.319 16 residues pruned to eliminate duplicates Z: 17 27.887 2.187 0.865 0.909 1.000 0.562 CB 1.213 17 residues pruned to eliminate duplicates Z: 48 47.604 2.447 0.621 0.604 0.957 0.574 CB 1.657 48 residues pruned to eliminate duplicates Z: 101 54.162 2.330 0.588 0.507 0.940 0.530 CB 1.546 101 residues pruned to eliminate duplicates Z: 12 19.101 2.160 0.649 0.921 0.909 0.909 CB 1.252 12 residues pruned to eliminate duplicates Z: 16 30.033 2.272 0.735 0.913 1.000 0.667 CB 1.393 16 residues pruned to eliminate duplicates Z: 12 14.575 2.016 0.452 0.595 0.909 0.727 CB 1.508 12 residues pruned to eliminate duplicates Z: 24 23.719 2.165 0.628 0.471 0.870 0.652 CB 1.662 24 residues pruned to eliminate duplicates Z: 6 9.895 2.153 0.003 0.808 1.000 0.800 CA 1.566 6 residues pruned to eliminate duplicates Z: 7 10.685 2.274 0.027 0.901 1.000 0.833 CB 1.334 7 residues pruned to eliminate duplicates Z: 9 8.383 2.114 0.114 0.530 0.875 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 14 20.535 2.264 0.242 0.844 1.000 0.846 CA 1.508 14 residues pruned to eliminate duplicates Z: 69 53.091 2.413 0.568 0.554 0.941 0.574 CB 1.716 69 residues pruned to eliminate duplicates Z: 15 35.032 2.218 1.028 0.866 0.929 0.429 CB 1.641 15 residues pruned to eliminate duplicates Z: 13 32.841 2.395 0.721 0.905 1.000 0.833 CB 1.637 13 residues pruned to eliminate duplicates Z: 28 18.304 2.261 0.353 0.446 0.889 0.556 CB 1.370 28 residues pruned to eliminate duplicates Z: 18 23.903 2.062 0.444 0.918 0.941 0.412 CB 1.459 18 residues pruned to eliminate duplicates Z: 34 23.290 2.146 0.464 0.604 0.848 0.545 CB 1.378 31 residues pruned to eliminate duplicates Z: 64 53.027 2.364 0.680 0.678 0.937 0.508 CB 1.524 64 residues pruned to eliminate duplicates Z: 19 28.743 2.190 0.831 0.548 1.000 0.722 CB 1.613 19 residues pruned to eliminate duplicates Z: 6 4.572 1.761 -0.264 0.866 1.000 0.800 CA 1.156 6 residues pruned to eliminate duplicates Z: 13 15.222 2.004 0.602 0.878 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 8 9.870 2.153 0.108 0.689 0.857 0.714 CB 1.534 8 residues pruned to eliminate duplicates Z: 58 41.674 2.352 0.609 0.577 0.860 0.649 CB 1.575 58 residues pruned to eliminate duplicates Z: 12 10.568 1.755 0.217 0.851 1.000 0.818 CB 1.104 12 residues pruned to eliminate duplicates Z: 14 25.883 2.392 0.320 0.892 1.000 1.000 CA 1.633 14 residues pruned to eliminate duplicates Z: 9 8.304 1.896 0.248 0.507 1.000 0.500 CB 1.232 Z: 12 13.571 1.746 0.502 0.793 0.909 0.818 CA 1.327 Z: 13 16.712 2.057 0.598 0.662 0.833 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 26 24.161 2.092 0.521 0.672 1.000 0.680 CB 1.295 26 residues pruned to eliminate duplicates Z: 10 11.561 1.858 0.222 0.897 1.000 0.889 CB 1.216 10 residues pruned to eliminate duplicates Z: 12 15.863 2.047 0.215 0.894 1.000 1.000 CB 1.380 12 residues pruned to eliminate duplicates Z: 17 24.887 2.125 0.649 0.855 1.000 1.000 CB 1.310 17 residues pruned to eliminate duplicates Z: 15 31.649 2.266 0.721 0.892 1.000 0.857 CA 1.558 15 residues pruned to eliminate duplicates Z: 11 14.344 1.782 0.715 0.869 1.000 1.000 CB 1.084 11 residues pruned to eliminate duplicates Z: 15 30.980 2.371 0.601 0.833 1.000 0.643 CA 1.636 15 residues pruned to eliminate duplicates Z: 10 13.675 1.889 0.481 0.854 1.000 0.778 CB 1.203 10 residues pruned to eliminate duplicates Z: 15 25.264 2.335 0.304 0.864 1.000 0.857 CA 1.626 15 residues pruned to eliminate duplicates Z: 15 32.939 2.376 0.706 0.902 1.000 0.857 CB 1.549 15 residues pruned to eliminate duplicates Z: 10 13.419 2.001 0.335 0.830 1.000 0.889 CB 1.259 10 residues pruned to eliminate duplicates Z: 11 12.942 2.048 0.647 0.657 0.800 0.700 CA 1.310 11 residues pruned to eliminate duplicates Z: 64 36.380 2.294 0.344 0.588 0.889 0.571 CB 1.537 64 residues pruned to eliminate duplicates Z: 63 45.430 2.350 0.353 0.584 0.968 0.661 CB 1.730 64 residues pruned to eliminate duplicates Z: 9 10.060 2.060 0.441 0.847 0.625 0.250 CA 1.423 9 residues pruned to eliminate duplicates Z: 15 33.795 2.287 0.831 0.850 0.929 0.714 CB 1.720 15 residues pruned to eliminate duplicates Z: 14 15.319 2.112 0.437 0.919 1.000 0.769 CB 0.986 14 residues pruned to eliminate duplicates Z: 101 46.215 2.309 0.472 0.530 0.890 0.550 CB 1.482 101 residues pruned to eliminate duplicates Z: 40 23.568 1.949 0.557 0.525 0.897 0.590 CB 1.352 40 residues pruned to eliminate duplicates Z: 12 14.107 2.090 0.119 0.896 0.909 0.727 CB 1.432 12 residues pruned to eliminate duplicates Z: 59 51.746 2.433 0.447 0.565 0.966 0.621 CB 1.878 59 residues pruned to eliminate duplicates Z: 11 18.515 2.172 0.489 0.872 1.000 0.800 CB 1.319 11 residues pruned to eliminate duplicates Z: 9 13.976 2.067 0.202 0.885 0.875 0.875 CA 1.640 9 residues pruned to eliminate duplicates Z: 14 35.344 2.498 0.472 0.895 1.000 0.923 CB 1.911 14 residues pruned to eliminate duplicates Z: 14 19.204 2.356 0.050 0.860 1.000 0.692 CA 1.583 14 residues pruned to eliminate duplicates Z: 14 21.074 2.120 0.487 0.846 1.000 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 83 50.871 2.383 0.420 0.540 0.939 0.585 CB 1.701 83 residues pruned to eliminate duplicates Z: 7 12.201 2.177 0.273 0.791 0.833 0.667 CB 1.671 7 residues pruned to eliminate duplicates Z: 12 18.696 2.028 0.625 0.820 1.000 0.818 CB 1.296 12 residues pruned to eliminate duplicates Z: 14 27.111 2.195 0.626 0.909 1.000 0.846 CA 1.495 14 residues pruned to eliminate duplicates Z: 11 11.717 2.321 0.291 0.496 0.900 0.800 CB 1.379 11 residues pruned to eliminate duplicates Z: 8 15.999 2.093 0.686 0.920 1.000 1.000 CB 1.207 8 residues pruned to eliminate duplicates Z: 19 34.658 2.450 0.752 0.929 0.833 0.444 CB 1.599 19 residues pruned to eliminate duplicates Z: 8 16.103 1.964 0.494 0.836 1.000 0.857 CB 1.552 8 residues pruned to eliminate duplicates Z: 10 15.638 2.075 0.125 0.831 1.000 0.556 CA 1.677 10 residues pruned to eliminate duplicates Z: 64 48.549 2.355 0.539 0.560 0.952 0.571 CB 1.671 64 residues pruned to eliminate duplicates Z: 77 45.312 2.318 0.425 0.589 0.921 0.605 CB 1.569 79 residues pruned to eliminate duplicates Z: 15 12.280 2.210 0.303 0.347 0.786 0.500 CA 1.712 15 residues pruned to eliminate duplicates Z: 36 34.361 2.335 0.580 0.694 0.857 0.571 CB 1.539 36 residues pruned to eliminate duplicates Z: 14 20.721 1.912 0.665 0.861 0.923 0.615 CB 1.436 12 residues pruned to eliminate duplicates Z: 13 6.696 1.800 0.387 0.444 0.917 0.833 CB 0.894 Z: 16 11.720 2.083 0.112 0.458 0.867 0.667 CA 1.575 16 residues pruned to eliminate duplicates Z: 11 11.825 2.083 0.073 0.884 0.900 0.600 CB 1.343 11 residues pruned to eliminate duplicates Z: 9 14.610 1.894 0.574 0.866 0.875 0.625 CB 1.450 9 residues pruned to eliminate duplicates Z: 14 13.212 2.209 0.202 0.584 0.846 0.462 CB 1.503 14 residues pruned to eliminate duplicates Z: 11 4.837 1.654 0.026 0.356 0.800 0.600 CB 1.316 11 residues pruned to eliminate duplicates Z: 8 8.053 1.664 0.038 0.882 1.000 0.857 CB 1.274 Z: 18 26.735 2.126 0.656 0.930 1.000 0.471 CB 1.287 18 residues pruned to eliminate duplicates Z: 15 32.174 2.283 0.639 0.869 1.000 0.643 CB 1.678 15 residues pruned to eliminate duplicates Z: 13 20.072 1.977 0.555 0.902 1.000 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 14 17.828 2.046 0.581 0.920 1.000 0.615 CB 1.077 14 residues pruned to eliminate duplicates Z: 14 21.305 1.940 0.712 0.886 1.000 0.615 CB 1.283 13 residues pruned to eliminate duplicates Z: 11 11.155 1.777 0.219 0.885 1.000 1.000 CB 1.176 11 residues pruned to eliminate duplicates Z: 11 9.090 1.736 0.077 0.846 1.000 0.800 CB 1.142 11 residues pruned to eliminate duplicates Z: 15 22.920 2.106 0.591 0.899 1.000 0.857 CB 1.307 15 residues pruned to eliminate duplicates Z: 6 5.577 1.740 0.645 0.481 0.800 0.400 CB 1.110 Z: 12 15.002 2.053 0.230 0.900 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 9.700 1.757 0.169 0.895 1.000 0.800 CB 1.071 11 residues pruned to eliminate duplicates Z: 27 23.459 2.080 0.433 0.697 1.000 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 14 18.096 1.818 0.451 0.892 1.000 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 6 5.904 1.813 0.265 0.506 0.800 0.600 CA 1.429 6 residues pruned to eliminate duplicates Z: 13 11.439 1.674 0.353 0.836 0.917 0.917 CA 1.190 13 residues pruned to eliminate duplicates Z: 13 18.836 2.222 0.273 0.894 1.000 0.833 CA 1.379 13 residues pruned to eliminate duplicates Z: 7 3.222 1.891 -0.244 0.557 0.833 0.833 CB 1.045 7 residues pruned to eliminate duplicates Z: 9 13.869 2.067 0.189 0.860 0.875 0.750 CA 1.677 9 residues pruned to eliminate duplicates Z: 14 16.385 1.915 0.318 0.912 1.000 0.769 CB 1.275 14 residues pruned to eliminate duplicates Z: 13 17.699 1.948 0.227 0.881 1.000 0.833 CA 1.548 13 residues pruned to eliminate duplicates Z: 7 9.096 1.991 0.346 0.657 0.833 0.667 CA 1.438 7 residues pruned to eliminate duplicates Z: 11 16.082 2.016 0.318 0.859 0.900 0.800 CA 1.565 10 residues pruned to eliminate duplicates Z: 18 22.731 2.046 0.372 0.856 1.000 0.824 CB 1.448 18 residues pruned to eliminate duplicates Z: 8 13.202 2.004 0.232 0.866 1.000 0.857 CB 1.479 8 residues pruned to eliminate duplicates Z: 15 27.618 2.304 0.469 0.866 1.000 0.571 CA 1.597 15 residues pruned to eliminate duplicates Z: 21 48.251 2.309 0.947 0.936 1.000 0.550 CB 1.672 21 residues pruned to eliminate duplicates Z: 15 17.292 2.029 0.542 0.846 0.929 0.571 CB 1.182 15 residues pruned to eliminate duplicates Z: 9 3.905 1.626 0.339 0.495 0.875 0.625 CB 0.729 9 residues pruned to eliminate duplicates Z: 11 18.074 2.053 0.695 0.795 0.900 0.900 CA 1.410 11 residues pruned to eliminate duplicates Z: 12 16.296 2.055 0.227 0.916 1.000 1.000 CB 1.376 12 residues pruned to eliminate duplicates Z: 34 33.021 2.274 0.431 0.667 0.970 0.848 CB 1.561 34 residues pruned to eliminate duplicates Z: 9 16.881 1.853 0.651 0.865 1.000 0.875 CB 1.430 9 residues pruned to eliminate duplicates Z: 13 15.111 2.107 0.634 0.501 1.000 0.667 CB 1.266 13 residues pruned to eliminate duplicates Z: 13 13.424 1.863 0.303 0.755 0.917 0.583 CB 1.388 13 residues pruned to eliminate duplicates Z: 13 18.494 1.948 0.508 0.871 0.833 0.500 CB 1.590 14 residues pruned to eliminate duplicates Z: 7 11.329 2.043 0.090 0.871 1.000 0.833 CB 1.515 7 residues pruned to eliminate duplicates Z: 20 41.330 2.409 0.633 0.921 1.000 0.368 CB 1.696 20 residues pruned to eliminate duplicates Z: 7 4.314 1.476 0.588 0.594 0.667 0.667 CB 1.030 7 residues pruned to eliminate duplicates Z: 49 49.610 2.407 0.728 0.600 0.938 0.604 CB 1.669 49 residues pruned to eliminate duplicates Z: 113 49.299 2.266 0.545 0.523 0.884 0.518 CB 1.472 113 residues pruned to eliminate duplicates Z: 37 16.738 2.157 0.182 0.451 0.889 0.528 CB 1.295 37 residues pruned to eliminate duplicates Z: 33 25.320 2.045 0.630 0.568 0.906 0.656 CB 1.388 33 residues pruned to eliminate duplicates Z: 17 31.448 2.163 0.676 0.937 1.000 0.625 CB 1.509 18 residues pruned to eliminate duplicates Z: 43 37.552 2.304 0.649 0.496 0.905 0.548 CA 1.693 43 residues pruned to eliminate duplicates Z: 6 5.400 1.790 -0.048 0.777 0.800 0.800 CB 1.388 6 residues pruned to eliminate duplicates Z: 10 12.415 1.871 0.228 0.882 1.000 1.000 CB 1.304 10 residues pruned to eliminate duplicates Z: 9 17.964 2.083 0.284 0.869 1.000 0.750 CB 1.735 9 residues pruned to eliminate duplicates Z: 9 9.262 1.901 0.511 0.406 0.875 0.500 CA 1.438 9 residues pruned to eliminate duplicates Z: 15 14.457 1.815 0.177 0.899 1.000 0.786 CB 1.293 14 residues pruned to eliminate duplicates Z: 56 48.142 2.417 0.451 0.585 0.945 0.691 CB 1.805 56 residues pruned to eliminate duplicates Z: 10 11.760 1.980 0.930 0.522 0.889 0.667 CB 1.129 11 residues pruned to eliminate duplicates Z: 11 17.998 2.138 0.597 0.838 1.000 0.700 CB 1.245 11 residues pruned to eliminate duplicates Z: 18 15.032 2.071 0.402 0.540 0.765 0.647 CB 1.579 18 residues pruned to eliminate duplicates Z: 10 12.021 1.968 0.919 0.426 1.000 0.889 CB 1.145 10 residues pruned to eliminate duplicates Z: 69 45.347 2.321 0.542 0.554 0.926 0.603 CB 1.573 69 residues pruned to eliminate duplicates Z: 36 36.370 2.320 0.421 0.611 0.943 0.543 CA 1.780 35 residues pruned to eliminate duplicates Z: 13 8.190 2.009 0.257 0.385 0.917 0.667 CB 1.154 9 residues pruned to eliminate duplicates Z: 8 23.161 2.070 0.974 0.889 1.000 0.714 CB 1.543 8 residues pruned to eliminate duplicates Z: 15 20.747 2.199 0.148 0.858 1.000 0.714 CB 1.617 15 residues pruned to eliminate duplicates Z: 14 23.242 1.934 0.915 0.886 1.000 0.462 CB 1.255 14 residues pruned to eliminate duplicates Z: 15 15.161 1.875 0.379 0.837 0.857 0.571 CB 1.368 15 residues pruned to eliminate duplicates Z: 65 45.729 2.433 0.518 0.506 0.906 0.531 CB 1.697 65 residues pruned to eliminate duplicates Z: 6 5.329 1.797 0.371 0.591 0.800 0.600 CB 1.108 6 residues pruned to eliminate duplicates Z: 21 16.806 2.088 0.270 0.524 0.900 0.500 CB 1.538 19 residues pruned to eliminate duplicates Z: 8 9.931 1.770 0.130 0.816 1.000 0.571 CB 1.426 8 residues pruned to eliminate duplicates Z: 16 27.041 2.263 0.412 0.913 1.000 0.867 CB 1.547 16 residues pruned to eliminate duplicates Z: 16 23.179 2.215 0.541 0.825 0.933 0.733 CB 1.419 16 residues pruned to eliminate duplicates Z: 69 53.266 2.384 0.581 0.568 0.912 0.632 CB 1.760 69 residues pruned to eliminate duplicates Z: 12 14.369 1.753 0.616 0.814 0.818 0.636 CA 1.422 12 residues pruned to eliminate duplicates Z: 11 6.178 1.714 0.067 0.829 0.900 0.700 CB 0.893 6 residues pruned to eliminate duplicates Z: 50 33.996 2.168 0.600 0.524 0.939 0.714 CB 1.456 50 residues pruned to eliminate duplicates Z: 8 5.673 1.468 0.490 0.906 1.000 0.714 CB 0.698 Z: 9 10.035 1.735 0.397 0.774 1.000 0.875 CB 1.149 9 residues pruned to eliminate duplicates Z: 13 22.716 1.953 0.730 0.902 0.917 0.417 CB 1.510 14 residues pruned to eliminate duplicates Z: 6 6.310 1.855 0.233 0.794 0.800 0.400 CB 1.191 6 residues pruned to eliminate duplicates Z: 26 37.608 2.466 0.459 0.613 1.000 0.720 CA 1.879 26 residues pruned to eliminate duplicates Z: 9 8.687 1.862 0.026 0.784 1.000 0.875 CB 1.252 9 residues pruned to eliminate duplicates Z: 15 32.315 2.296 0.885 0.875 0.857 0.429 CB 1.694 15 residues pruned to eliminate duplicates Z: 9 5.430 1.667 0.343 0.337 1.000 0.625 CA 1.024 Z: 61 52.559 2.360 0.723 0.541 0.917 0.533 CB 1.748 61 residues pruned to eliminate duplicates Z: 56 44.234 2.352 0.427 0.554 0.964 0.600 CB 1.750 56 residues pruned to eliminate duplicates Z: 14 8.382 2.086 -0.001 0.434 0.923 0.615 CB 1.295 14 residues pruned to eliminate duplicates Z: 11 8.197 1.927 0.352 0.427 0.900 0.800 CB 1.193 11 residues pruned to eliminate duplicates Z: 12 9.953 2.085 -0.185 0.937 1.000 0.909 CB 1.229 12 residues pruned to eliminate duplicates Z: 46 52.995 2.455 0.779 0.547 0.956 0.600 CB 1.808 46 residues pruned to eliminate duplicates Z: 16 10.584 1.883 0.386 0.663 0.733 0.467 CB 1.228 16 residues pruned to eliminate duplicates Z: 115 70.098 2.358 0.644 0.588 0.939 0.605 CB 1.659 115 residues pruned to eliminate duplicates Z: 6 9.275 1.697 0.311 0.875 1.000 0.800 CB 1.356 Z: 21 16.663 1.993 0.303 0.543 0.850 0.650 CB 1.618 22 residues pruned to eliminate duplicates Z: 8 6.255 1.495 0.091 0.814 1.000 0.571 CB 1.103 8 residues pruned to eliminate duplicates Z: 15 28.821 2.410 0.602 0.741 0.929 0.786 CB 1.731 15 residues pruned to eliminate duplicates Z: 13 14.449 1.998 0.372 0.924 0.833 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 12 17.854 2.076 0.903 0.905 1.000 0.545 CB 0.970 12 residues pruned to eliminate duplicates Z: 13 23.987 2.415 0.328 0.843 0.917 0.417 CB 1.753 13 residues pruned to eliminate duplicates Z: 17 20.181 2.104 0.453 0.914 0.875 0.625 CB 1.334 17 residues pruned to eliminate duplicates Z: 15 19.999 1.843 0.481 0.903 1.000 1.000 CB 1.395 14 residues pruned to eliminate duplicates Z: 11 8.622 1.788 0.298 0.498 0.900 0.600 CB 1.308 11 residues pruned to eliminate duplicates Z: 51 49.723 2.408 0.618 0.571 0.960 0.680 CB 1.755 51 residues pruned to eliminate duplicates Z: 12 11.264 2.040 0.259 0.820 0.818 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 10 7.128 1.876 0.353 0.591 0.667 0.333 CB 1.286 10 residues pruned to eliminate duplicates Z: 7 8.406 1.707 0.000 0.878 1.000 0.833 CB 1.459 7 residues pruned to eliminate duplicates Z: 17 12.461 1.889 0.658 0.607 0.812 0.500 CB 1.105 17 residues pruned to eliminate duplicates Z: 12 16.223 2.057 0.260 0.694 0.909 0.636 CA 1.739 12 residues pruned to eliminate duplicates Z: 6 11.837 2.013 0.180 0.870 1.000 0.600 C 1.627 6 residues pruned to eliminate duplicates Z: 6 6.444 1.712 0.049 0.817 1.000 0.800 CA 1.218 6 residues pruned to eliminate duplicates Z: 7 27.630 2.556 0.820 0.883 1.000 1.000 CB 1.753 7 residues pruned to eliminate duplicates Z: 65 34.496 2.232 0.351 0.555 0.859 0.609 CB 1.578 65 residues pruned to eliminate duplicates Z: 6 5.788 1.569 0.162 0.852 1.000 0.800 CA 1.050 6 residues pruned to eliminate duplicates Z: 27 13.514 2.048 0.420 0.306 0.846 0.500 CB 1.336 36 residues pruned to eliminate duplicates Z: 14 26.683 2.287 0.808 0.774 0.846 0.308 CB 1.660 14 residues pruned to eliminate duplicates Z: 13 13.704 1.918 0.447 0.801 0.833 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 13 8.015 1.957 0.235 0.405 0.833 0.500 CB 1.270 12 residues pruned to eliminate duplicates Z: 13 31.589 2.214 0.928 0.880 1.000 0.417 CB 1.548 13 residues pruned to eliminate duplicates Z: 9 9.840 1.792 0.318 0.872 1.000 0.875 CB 1.073 9 residues pruned to eliminate duplicates Z: 13 9.206 1.562 0.510 0.482 0.917 0.333 CB 1.252 Z: 41 18.724 2.215 0.231 0.475 0.825 0.675 CB 1.350 41 residues pruned to eliminate duplicates Z: 6 6.866 1.528 0.234 0.780 1.000 0.600 CA 1.273 6 residues pruned to eliminate duplicates Z: 9 10.873 2.106 0.348 0.391 1.000 0.625 CB 1.520 9 residues pruned to eliminate duplicates Z: 9 5.445 2.089 -0.013 0.281 0.875 0.500 CB 1.367 9 residues pruned to eliminate duplicates Z: 18 11.544 1.773 0.322 0.475 1.000 0.588 CA 1.225 17 residues pruned to eliminate duplicates Z: 15 21.472 2.032 0.556 0.803 0.929 0.857 CA 1.500 15 residues pruned to eliminate duplicates Z: 21 25.125 2.192 0.496 0.542 0.900 0.650 CA 1.828 21 residues pruned to eliminate duplicates Z: 15 9.042 1.794 0.300 0.527 1.000 0.643 CB 1.009 15 residues pruned to eliminate duplicates Z: 12 23.711 2.308 0.688 0.652 0.909 0.636 CB 1.752 13 residues pruned to eliminate duplicates Z: 40 40.707 2.338 0.636 0.551 0.897 0.538 CB 1.807 40 residues pruned to eliminate duplicates Z: 19 6.168 1.575 0.186 0.419 0.833 0.278 CB 1.016 19 residues pruned to eliminate duplicates Z: 7 7.636 1.806 0.549 0.759 0.667 0.667 C 1.327 7 residues pruned to eliminate duplicates Z: 9 16.865 2.010 0.496 0.877 0.875 0.750 CA 1.646 9 residues pruned to eliminate duplicates Z: 7 6.347 1.792 0.624 0.489 0.833 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 6 8.618 1.723 0.731 0.818 0.800 0.800 O 1.225 6 residues pruned to eliminate duplicates Z: 11 9.617 2.019 0.361 0.467 0.900 0.800 CB 1.271 11 residues pruned to eliminate duplicates Z: 9 14.755 1.975 0.445 0.922 1.000 1.000 CB 1.286 9 residues pruned to eliminate duplicates Z: 55 52.016 2.388 0.602 0.571 0.981 0.537 CB 1.760 55 residues pruned to eliminate duplicates Z: 15 14.001 1.976 0.316 0.872 0.929 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 16 10.735 1.811 0.427 0.529 0.933 0.667 CB 1.116 17 residues pruned to eliminate duplicates Z: 103 61.941 2.371 0.656 0.534 0.931 0.559 CB 1.621 103 residues pruned to eliminate duplicates Z: 9 12.007 1.905 0.303 0.917 1.000 1.000 CB 1.207 9 residues pruned to eliminate duplicates Z: 98 53.044 2.362 0.467 0.537 0.918 0.608 CB 1.633 98 residues pruned to eliminate duplicates Z: 8 2.566 1.644 -0.177 0.531 0.857 0.714 CB 0.811 Z: 17 18.304 2.257 0.534 0.428 0.938 0.500 CB 1.519 17 residues pruned to eliminate duplicates Z: 10 7.168 1.665 0.461 0.760 1.000 0.778 CB 0.780 9 residues pruned to eliminate duplicates Z: 6 6.920 1.606 0.117 0.820 1.000 1.000 CA 1.308 6 residues pruned to eliminate duplicates Z: 26 37.752 2.343 0.693 0.622 0.960 0.720 CA 1.767 26 residues pruned to eliminate duplicates Z: 12 6.776 1.878 0.278 0.390 0.909 0.455 CB 1.053 12 residues pruned to eliminate duplicates Z: 8 11.915 2.213 0.509 0.478 0.857 0.429 CA 1.608 8 residues pruned to eliminate duplicates Z: 10 15.975 2.083 0.330 0.886 0.889 0.778 CB 1.561 10 residues pruned to eliminate duplicates Z: 30 42.669 2.393 0.747 0.569 0.966 0.655 CA 1.837 30 residues pruned to eliminate duplicates Z: 22 17.709 1.881 0.855 0.689 0.810 0.238 CB 1.151 36 residues pruned to eliminate duplicates Z: 13 14.338 2.054 0.300 0.637 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 65 47.349 2.366 0.512 0.580 0.922 0.547 CB 1.661 65 residues pruned to eliminate duplicates Z: 6 3.507 1.625 0.083 0.514 1.000 0.600 CA 0.879 Z: 21 25.236 2.189 0.640 0.630 0.900 0.650 CB 1.546 26 residues pruned to eliminate duplicates Z: 9 9.425 2.301 0.192 0.351 1.000 0.750 CB 1.428 9 residues pruned to eliminate duplicates Z: 11 7.668 1.694 0.302 0.816 0.900 0.300 CB 0.928 11 residues pruned to eliminate duplicates Z: 17 28.307 2.100 0.668 0.915 1.000 0.562 CB 1.428 17 residues pruned to eliminate duplicates Z: 56 40.677 2.259 0.704 0.505 0.927 0.400 CB 1.529 56 residues pruned to eliminate duplicates Z: 53 23.927 2.161 0.305 0.431 0.885 0.519 CB 1.429 53 residues pruned to eliminate duplicates Z: 6 8.205 1.594 0.381 0.666 1.000 0.800 CA 1.429 7 residues pruned to eliminate duplicates Z: 13 16.373 1.815 0.282 0.859 1.000 0.667 CA 1.494 13 residues pruned to eliminate duplicates Z: 17 23.350 2.090 0.404 0.915 0.938 0.688 CA 1.500 17 residues pruned to eliminate duplicates Z: 6 2.617 1.187 0.424 0.438 1.000 0.600 C 0.738 Z: 7 14.713 2.203 0.619 0.680 1.000 0.500 CA 1.427 8 residues pruned to eliminate duplicates Z: 21 36.367 2.337 0.605 0.919 0.900 0.500 CB 1.698 21 residues pruned to eliminate duplicates Z: 15 17.111 1.839 0.402 0.869 0.929 0.643 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 24.310 2.292 0.314 0.899 1.000 0.929 CB 1.543 15 residues pruned to eliminate duplicates Z: 10 14.097 2.038 0.527 0.866 1.000 0.778 CB 1.105 10 residues pruned to eliminate duplicates Z: 13 20.143 2.208 0.806 0.570 0.833 0.417 CB 1.635 13 residues pruned to eliminate duplicates Z: 14 15.878 2.225 0.424 0.578 0.923 0.692 CB 1.397 14 residues pruned to eliminate duplicates Z: 39 30.748 2.303 0.682 0.546 0.895 0.500 CB 1.376 39 residues pruned to eliminate duplicates Z: 71 41.232 2.335 0.319 0.467 0.929 0.657 CB 1.782 80 residues pruned to eliminate duplicates Z: 47 45.066 2.357 0.547 0.571 0.957 0.652 CB 1.779 47 residues pruned to eliminate duplicates Z: 12 9.442 2.099 -0.180 0.905 1.000 0.818 CB 1.177 12 residues pruned to eliminate duplicates Z: 53 45.955 2.377 0.600 0.652 0.962 0.596 CB 1.513 53 residues pruned to eliminate duplicates Z: 63 42.312 2.343 0.537 0.603 0.935 0.565 CB 1.445 63 residues pruned to eliminate duplicates Z: 7 8.235 2.153 0.511 0.358 0.667 0.500 CB 1.806 7 residues pruned to eliminate duplicates Z: 8 7.125 1.700 0.030 0.855 1.000 0.857 CB 1.135 8 residues pruned to eliminate duplicates Z: 9 11.039 1.898 0.661 0.777 0.875 0.500 CB 1.108 9 residues pruned to eliminate duplicates Z: 6 3.731 1.579 0.116 0.654 0.800 0.800 CB 1.026 6 residues pruned to eliminate duplicates Z: 13 16.818 1.874 0.698 0.831 0.833 0.167 CB 1.375 13 residues pruned to eliminate duplicates Z: 19 12.930 2.149 0.383 0.345 0.833 0.444 CB 1.457 19 residues pruned to eliminate duplicates Z: 15 28.083 2.282 0.634 0.829 0.929 0.857 CA 1.632 15 residues pruned to eliminate duplicates Z: 10 2.895 1.661 0.220 0.321 0.444 0.444 CA 1.305 9 residues pruned to eliminate duplicates Z: 21 38.857 2.374 0.621 0.921 0.950 0.700 CB 1.673 21 residues pruned to eliminate duplicates Z: 88 47.909 2.389 0.485 0.520 0.862 0.483 CB 1.646 88 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 17.682 2.145 0.829 0.506 1.000 0.750 CB 1.584 Z: 6 5.052 1.674 0.744 0.333 0.800 0.600 CB 1.162 6 residues pruned to eliminate duplicates Z: 12 9.405 1.967 0.546 0.381 0.818 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 11 11.518 2.022 0.459 0.390 1.000 0.500 CB 1.387 9 residues pruned to eliminate duplicates Z: 17 32.168 2.136 0.875 0.892 1.000 0.500 CB 1.443 17 residues pruned to eliminate duplicates Z: 16 20.209 2.147 0.326 0.902 0.933 0.400 CA 1.401 16 residues pruned to eliminate duplicates Z: 28 26.882 2.151 0.484 0.662 0.889 0.407 CB 1.570 29 residues pruned to eliminate duplicates Z: 12 11.246 1.914 0.279 0.797 0.818 0.455 CB 1.305 12 residues pruned to eliminate duplicates Z: 32 22.867 1.974 0.481 0.637 0.968 0.613 CB 1.277 32 residues pruned to eliminate duplicates Z: 18 23.830 2.088 0.459 0.917 0.941 0.529 CB 1.423 18 residues pruned to eliminate duplicates Z: 29 20.062 2.083 0.397 0.620 0.857 0.536 CB 1.358 29 residues pruned to eliminate duplicates Z: 28 21.463 2.078 0.530 0.636 0.889 0.593 CB 1.287 28 residues pruned to eliminate duplicates Z: 19 28.014 2.108 0.771 0.800 0.944 0.556 CB 1.441 19 residues pruned to eliminate duplicates Z: 26 26.198 2.114 0.742 0.687 0.880 0.680 CB 1.361 26 residues pruned to eliminate duplicates Z: 18 20.380 2.074 0.594 0.827 0.824 0.471 CB 1.368 18 residues pruned to eliminate duplicates Z: 18 28.363 2.162 0.692 0.936 0.941 0.588 CB 1.391 18 residues pruned to eliminate duplicates Z: 28 22.326 2.060 0.461 0.685 0.926 0.741 CB 1.300 28 residues pruned to eliminate duplicates Z: 27 29.347 2.119 0.723 0.683 0.962 0.577 CB 1.386 27 residues pruned to eliminate duplicates Z: 71 49.069 2.338 0.598 0.514 0.914 0.571 CB 1.693 75 residues pruned to eliminate duplicates Z: 7 3.440 1.604 0.431 0.366 0.833 0.500 CB 0.848 7 residues pruned to eliminate duplicates Z: 12 5.840 2.075 0.302 0.274 0.727 0.545 CB 1.159 12 residues pruned to eliminate duplicates Z: 11 10.600 2.063 0.351 0.461 0.900 0.600 CA 1.390 11 residues pruned to eliminate duplicates Z: 6 7.241 1.977 0.565 0.354 1.000 0.400 CA 1.226 6 residues pruned to eliminate duplicates Z: 11 8.685 2.066 0.246 0.406 1.000 0.600 CB 1.178 11 residues pruned to eliminate duplicates Z: 20 13.604 1.969 0.589 0.576 0.737 0.526 CB 1.258 20 residues pruned to eliminate duplicates Z: 15 17.255 2.183 0.412 0.670 0.857 0.500 CB 1.493 12 residues pruned to eliminate duplicates Z: 17 20.043 2.057 0.365 0.746 1.000 0.625 CB 1.432 17 residues pruned to eliminate duplicates Z: 17 16.045 2.088 0.541 0.633 0.750 0.500 CB 1.467 16 residues pruned to eliminate duplicates Z: 13 17.275 2.063 0.741 0.893 0.750 0.667 CB 1.329 13 residues pruned to eliminate duplicates Z: 17 19.170 2.106 0.536 0.655 0.938 0.562 CB 1.368 17 residues pruned to eliminate duplicates Z: 13 16.219 2.042 0.538 0.870 0.833 0.500 CB 1.306 13 residues pruned to eliminate duplicates Z: 19 16.982 1.938 0.491 0.702 0.889 0.611 CB 1.297 20 residues pruned to eliminate duplicates Z: 12 20.906 2.066 0.594 0.904 1.000 0.818 CB 1.363 12 residues pruned to eliminate duplicates Z: 18 20.828 2.032 0.721 0.600 0.941 0.471 CB 1.395 17 residues pruned to eliminate duplicates Z: 13 23.175 2.031 0.764 0.867 1.000 0.667 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 20.251 2.025 0.725 0.866 0.833 0.583 CB 1.470 13 residues pruned to eliminate duplicates Z: 17 18.758 2.062 0.650 0.662 0.812 0.625 CB 1.460 18 residues pruned to eliminate duplicates Z: 14 23.340 1.978 0.779 0.897 1.000 0.615 CB 1.317 13 residues pruned to eliminate duplicates Z: 15 21.913 1.891 0.730 0.864 0.929 0.500 CB 1.414 15 residues pruned to eliminate duplicates Z: 16 15.839 1.864 0.358 0.827 0.933 0.667 CB 1.305 16 residues pruned to eliminate duplicates Z: 16 17.991 1.866 0.509 0.804 1.000 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 16 18.541 1.856 0.594 0.806 0.933 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 15 19.699 1.868 0.612 0.833 1.000 0.571 CB 1.311 15 residues pruned to eliminate duplicates Z: 13 22.722 1.964 0.559 0.878 1.000 0.500 CB 1.555 13 residues pruned to eliminate duplicates Z: 14 21.433 1.893 0.710 0.813 0.923 0.462 CA 1.516 14 residues pruned to eliminate duplicates Z: 15 19.783 1.877 0.577 0.831 1.000 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 14 17.396 1.928 0.442 0.845 0.923 0.385 CB 1.399 14 residues pruned to eliminate duplicates Z: 16 15.664 1.852 0.680 0.803 0.800 0.333 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 16.479 1.858 0.544 0.823 0.867 0.333 CB 1.294 16 residues pruned to eliminate duplicates Z: 16 19.199 1.855 0.667 0.828 0.933 0.533 CB 1.293 15 residues pruned to eliminate duplicates Z: 6 10.755 2.119 0.643 0.430 1.000 0.800 CB 1.485 6 residues pruned to eliminate duplicates Z: 49 50.470 2.460 0.521 0.607 0.958 0.667 CB 1.835 49 residues pruned to eliminate duplicates Z: 50 60.433 2.476 0.685 0.617 1.000 0.735 CB 1.853 51 residues pruned to eliminate duplicates Z: 8 5.424 1.588 0.237 0.346 1.000 0.143 CA 1.234 8 residues pruned to eliminate duplicates Z: 28 26.084 2.302 0.547 0.417 0.963 0.593 CB 1.597 28 residues pruned to eliminate duplicates Z: 108 54.065 2.308 0.457 0.542 0.944 0.561 CB 1.580 82 residues pruned to eliminate duplicates Z: 19 30.657 2.316 0.542 0.707 0.944 0.611 CA 1.775 19 residues pruned to eliminate duplicates Z: 27 29.544 2.335 0.631 0.510 0.885 0.654 CB 1.704 27 residues pruned to eliminate duplicates Z: 55 48.193 2.408 0.560 0.558 0.907 0.611 CB 1.819 55 residues pruned to eliminate duplicates Z: 26 29.406 2.335 0.559 0.523 0.920 0.560 CB 1.716 26 residues pruned to eliminate duplicates Z: 82 53.788 2.401 0.556 0.551 0.914 0.605 CB 1.666 82 residues pruned to eliminate duplicates Z: 18 31.328 2.392 0.695 0.699 0.882 0.647 CB 1.772 18 residues pruned to eliminate duplicates Z: 22 35.301 2.447 0.786 0.536 0.952 0.524 CB 1.786 22 residues pruned to eliminate duplicates Z: 75 49.067 2.410 0.523 0.528 0.932 0.527 CB 1.621 75 residues pruned to eliminate duplicates Z: 68 54.092 2.399 0.608 0.569 0.925 0.612 CB 1.731 68 residues pruned to eliminate duplicates Z: 83 51.181 2.403 0.525 0.529 0.902 0.598 CB 1.660 83 residues pruned to eliminate duplicates Z: 48 52.945 2.458 0.782 0.581 0.936 0.468 CB 1.742 48 residues pruned to eliminate duplicates Z: 47 51.005 2.419 0.751 0.590 0.935 0.587 CB 1.742 47 residues pruned to eliminate duplicates Z: 59 54.225 2.458 0.686 0.545 0.914 0.466 CB 1.799 59 residues pruned to eliminate duplicates Z: 50 52.679 2.466 0.686 0.563 0.959 0.429 CB 1.775 50 residues pruned to eliminate duplicates Z: 79 49.153 2.409 0.563 0.522 0.910 0.500 CB 1.588 79 residues pruned to eliminate duplicates Z: 84 52.398 2.358 0.566 0.527 0.940 0.530 CB 1.613 84 residues pruned to eliminate duplicates Z: 58 57.464 2.448 0.599 0.603 0.965 0.614 CB 1.828 58 residues pruned to eliminate duplicates Z: 50 47.812 2.440 0.583 0.572 0.918 0.673 CB 1.796 50 residues pruned to eliminate duplicates Z: 79 54.961 2.395 0.644 0.542 0.936 0.538 CB 1.621 79 residues pruned to eliminate duplicates Z: 84 48.883 2.350 0.549 0.517 0.928 0.566 CB 1.562 84 residues pruned to eliminate duplicates Z: 55 52.078 2.475 0.642 0.587 0.944 0.537 CB 1.700 55 residues pruned to eliminate duplicates Z: 128 56.280 2.369 0.421 0.534 0.874 0.591 CB 1.642 128 residues pruned to eliminate duplicates Z: 57 44.885 2.436 0.491 0.564 0.911 0.607 CB 1.704 57 residues pruned to eliminate duplicates Z: 51 55.811 2.437 0.788 0.604 0.920 0.540 CB 1.782 51 residues pruned to eliminate duplicates Z: 40 46.008 2.491 0.612 0.609 0.923 0.564 CB 1.792 40 residues pruned to eliminate duplicates Z: 103 47.841 2.319 0.422 0.540 0.873 0.559 CB 1.584 103 residues pruned to eliminate duplicates Z: 46 51.929 2.434 0.781 0.583 0.933 0.511 CB 1.767 46 residues pruned to eliminate duplicates Z: 85 53.075 2.407 0.501 0.509 0.952 0.512 CB 1.668 85 residues pruned to eliminate duplicates Z: 65 54.090 2.455 0.575 0.563 0.922 0.594 CB 1.784 65 residues pruned to eliminate duplicates Z: 50 63.197 2.477 0.783 0.623 1.000 0.653 CB 1.821 50 residues pruned to eliminate duplicates Z: 54 54.052 2.423 0.605 0.596 0.943 0.566 CA 1.846 54 residues pruned to eliminate duplicates Z: 50 53.729 2.448 0.719 0.612 0.898 0.571 CB 1.827 50 residues pruned to eliminate duplicates Z: 64 53.022 2.484 0.612 0.561 0.921 0.619 CB 1.709 64 residues pruned to eliminate duplicates Z: 74 49.851 2.393 0.616 0.552 0.932 0.521 CB 1.540 74 residues pruned to eliminate duplicates Z: 79 49.835 2.410 0.545 0.521 0.936 0.564 CB 1.586 79 residues pruned to eliminate duplicates Z: 54 56.946 2.482 0.740 0.575 0.943 0.491 CB 1.786 54 residues pruned to eliminate duplicates Z: 81 54.288 2.399 0.594 0.533 0.925 0.538 CB 1.660 81 residues pruned to eliminate duplicates Z: 64 47.831 2.381 0.652 0.533 0.889 0.524 CB 1.668 64 residues pruned to eliminate duplicates Z: 58 56.750 2.432 0.620 0.590 0.982 0.667 CB 1.782 58 residues pruned to eliminate duplicates Z: 81 57.176 2.399 0.636 0.529 0.963 0.562 CB 1.644 81 residues pruned to eliminate duplicates Z: 73 48.864 2.424 0.536 0.532 0.931 0.556 CB 1.611 73 residues pruned to eliminate duplicates Z: 78 51.451 2.434 0.535 0.525 0.922 0.545 CB 1.660 78 residues pruned to eliminate duplicates Z: 32 16.078 2.270 0.352 0.469 0.839 0.613 CB 1.158 32 residues pruned to eliminate duplicates Z: 30 18.547 2.298 0.288 0.447 0.897 0.552 CB 1.371 30 residues pruned to eliminate duplicates Z: 46 23.285 2.258 0.319 0.448 0.889 0.533 CB 1.383 46 residues pruned to eliminate duplicates Z: 60 59.877 2.489 0.693 0.549 0.983 0.576 CB 1.794 60 residues pruned to eliminate duplicates Z: 73 47.477 2.426 0.444 0.538 0.931 0.653 CB 1.653 73 residues pruned to eliminate duplicates Z: 99 56.256 2.367 0.630 0.528 0.867 0.561 CB 1.652 99 residues pruned to eliminate duplicates Z: 58 48.922 2.432 0.674 0.545 0.895 0.439 CB 1.702 58 residues pruned to eliminate duplicates Z: 44 22.513 2.301 0.300 0.453 0.860 0.558 CB 1.400 44 residues pruned to eliminate duplicates Z: 84 49.949 2.348 0.651 0.505 0.892 0.566 CB 1.579 84 residues pruned to eliminate duplicates Z: 73 54.297 2.414 0.626 0.557 0.944 0.639 CB 1.633 73 residues pruned to eliminate duplicates Z: 77 47.906 2.391 0.560 0.514 0.895 0.579 CB 1.624 77 residues pruned to eliminate duplicates Z: 79 46.816 2.356 0.559 0.509 0.897 0.500 CB 1.594 79 residues pruned to eliminate duplicates Z: 44 26.219 2.300 0.477 0.493 0.860 0.465 CB 1.376 44 residues pruned to eliminate duplicates Z: 74 47.317 2.398 0.511 0.523 0.945 0.521 CB 1.581 74 residues pruned to eliminate duplicates Z: 77 48.823 2.400 0.477 0.516 0.961 0.579 CB 1.620 77 residues pruned to eliminate duplicates Z: 93 46.679 2.360 0.505 0.496 0.880 0.500 CB 1.563 93 residues pruned to eliminate duplicates Z: 29 18.877 2.301 0.296 0.456 0.893 0.571 CB 1.401 29 residues pruned to eliminate duplicates Z: 34 21.149 2.269 0.372 0.462 0.909 0.515 CB 1.352 34 residues pruned to eliminate duplicates Z: 32 18.816 2.299 0.430 0.464 0.871 0.484 CB 1.225 32 residues pruned to eliminate duplicates Z: 71 52.605 2.444 0.602 0.538 0.929 0.586 CB 1.667 71 residues pruned to eliminate duplicates Z: 16 12.061 2.141 0.171 0.535 1.000 0.467 CB 1.200 16 residues pruned to eliminate duplicates Z: 74 50.471 2.399 0.499 0.540 0.945 0.589 CB 1.672 74 residues pruned to eliminate duplicates Z: 75 49.227 2.407 0.524 0.538 0.946 0.608 CB 1.589 75 residues pruned to eliminate duplicates Z: 83 61.261 2.406 0.615 0.563 1.000 0.549 CB 1.638 83 residues pruned to eliminate duplicates Z: 20 9.849 2.033 0.114 0.442 0.947 0.368 CB 1.117 20 residues pruned to eliminate duplicates Z: 116 64.573 2.426 0.491 0.568 0.930 0.574 CB 1.676 116 residues pruned to eliminate duplicates Z: 99 55.840 2.363 0.563 0.533 0.888 0.541 CB 1.665 99 residues pruned to eliminate duplicates Z: 45 25.567 2.289 0.348 0.443 0.932 0.568 CB 1.422 45 residues pruned to eliminate duplicates Z: 98 59.300 2.379 0.630 0.529 0.887 0.557 CB 1.701 98 residues pruned to eliminate duplicates Z: 44 24.655 2.270 0.407 0.462 0.860 0.419 CB 1.422 44 residues pruned to eliminate duplicates Z: 98 63.036 2.403 0.648 0.544 0.918 0.588 CB 1.687 98 residues pruned to eliminate duplicates Z: 68 38.615 2.359 0.360 0.551 0.910 0.448 CB 1.537 68 residues pruned to eliminate duplicates Z: 47 26.546 2.291 0.329 0.441 0.935 0.457 CB 1.461 47 residues pruned to eliminate duplicates Z: 38 21.431 2.234 0.268 0.448 0.919 0.486 CB 1.427 38 residues pruned to eliminate duplicates Z: 89 50.407 2.392 0.519 0.518 0.898 0.591 CB 1.618 89 residues pruned to eliminate duplicates Z: 90 53.852 2.387 0.514 0.511 0.944 0.472 CB 1.655 90 residues pruned to eliminate duplicates Z: 38 19.840 2.199 0.344 0.410 0.838 0.405 CB 1.448 38 residues pruned to eliminate duplicates Z: 51 31.589 2.327 0.318 0.552 0.880 0.620 CB 1.573 51 residues pruned to eliminate duplicates Z: 168 62.494 2.306 0.475 0.515 0.898 0.533 CB 1.559 168 residues pruned to eliminate duplicates Z: 108 57.797 2.365 0.488 0.577 0.925 0.542 CB 1.593 108 residues pruned to eliminate duplicates Z: 98 59.043 2.394 0.599 0.538 0.907 0.557 CB 1.664 98 residues pruned to eliminate duplicates Z: 104 50.552 2.364 0.431 0.559 0.893 0.485 CB 1.557 104 residues pruned to eliminate duplicates Z: 65 47.122 2.392 0.373 0.655 0.953 0.703 CB 1.629 65 residues pruned to eliminate duplicates Z: 156 74.073 2.380 0.561 0.564 0.929 0.548 CB 1.621 156 residues pruned to eliminate duplicates Z: 53 37.954 2.348 0.499 0.588 0.865 0.538 CB 1.587 53 residues pruned to eliminate duplicates Z: 65 43.604 2.358 0.398 0.617 0.922 0.594 CB 1.607 65 residues pruned to eliminate duplicates Z: 64 38.475 2.264 0.468 0.596 0.905 0.556 CB 1.471 64 residues pruned to eliminate duplicates Z: 37 38.224 2.373 0.512 0.650 0.917 0.639 CB 1.685 37 residues pruned to eliminate duplicates Z: 144 75.035 2.427 0.527 0.594 0.951 0.615 CB 1.627 144 residues pruned to eliminate duplicates Z: 76 42.413 2.362 0.385 0.546 0.920 0.627 CB 1.557 76 residues pruned to eliminate duplicates Z: 76 43.089 2.354 0.468 0.545 0.933 0.560 CB 1.476 76 residues pruned to eliminate duplicates Z: 96 45.478 2.328 0.347 0.569 0.905 0.558 CB 1.537 96 residues pruned to eliminate duplicates Z: 23 27.307 2.296 0.351 0.667 0.909 0.591 CB 1.768 23 residues pruned to eliminate duplicates Z: 147 69.858 2.383 0.539 0.575 0.932 0.548 CB 1.574 147 residues pruned to eliminate duplicates Z: 61 39.323 2.344 0.425 0.597 0.883 0.617 CB 1.568 61 residues pruned to eliminate duplicates Z: 88 51.521 2.354 0.459 0.608 0.931 0.552 CB 1.560 88 residues pruned to eliminate duplicates Z: 175 66.192 2.337 0.522 0.534 0.879 0.540 CB 1.552 175 residues pruned to eliminate duplicates Z: 38 35.176 2.319 0.490 0.656 0.946 0.541 CB 1.530 38 residues pruned to eliminate duplicates Z: 156 76.205 2.402 0.565 0.581 0.916 0.529 CB 1.645 156 residues pruned to eliminate duplicates Z: 77 45.863 2.342 0.490 0.576 0.895 0.566 CB 1.566 77 residues pruned to eliminate duplicates Z: 41 40.560 2.389 0.550 0.683 0.900 0.600 CB 1.627 41 residues pruned to eliminate duplicates Z: 51 39.181 2.344 0.558 0.610 0.860 0.560 CB 1.589 51 residues pruned to eliminate duplicates Z: 78 52.290 2.382 0.518 0.632 0.896 0.597 CB 1.624 78 residues pruned to eliminate duplicates Z: 37 39.528 2.372 0.565 0.650 0.917 0.639 CB 1.684 37 residues pruned to eliminate duplicates Z: 122 69.207 2.409 0.653 0.573 0.909 0.488 CB 1.620 122 residues pruned to eliminate duplicates Z: 120 65.053 2.390 0.590 0.567 0.933 0.546 CB 1.576 120 residues pruned to eliminate duplicates Z: 53 40.355 2.338 0.593 0.617 0.904 0.635 CB 1.488 53 residues pruned to eliminate duplicates Z: 128 66.798 2.404 0.559 0.582 0.890 0.591 CB 1.643 128 residues pruned to eliminate duplicates Z: 156 76.228 2.402 0.585 0.580 0.910 0.548 CB 1.636 156 residues pruned to eliminate duplicates Z: 79 52.543 2.373 0.545 0.614 0.910 0.603 CB 1.601 79 residues pruned to eliminate duplicates Z: 121 55.064 2.343 0.517 0.536 0.908 0.483 CB 1.503 121 residues pruned to eliminate duplicates Z: 126 55.796 2.311 0.517 0.513 0.928 0.520 CB 1.514 126 residues pruned to eliminate duplicates Z: 78 54.577 2.397 0.599 0.610 0.909 0.468 CB 1.609 78 residues pruned to eliminate duplicates Z: 151 75.651 2.380 0.640 0.556 0.940 0.520 CB 1.594 151 residues pruned to eliminate duplicates Z: 47 28.912 2.231 0.473 0.466 0.891 0.543 CB 1.507 47 residues pruned to eliminate duplicates Z: 102 53.870 2.394 0.417 0.587 0.921 0.594 CB 1.580 102 residues pruned to eliminate duplicates Z: 156 79.294 2.421 0.599 0.577 0.916 0.523 CB 1.668 156 residues pruned to eliminate duplicates Z: 154 75.757 2.380 0.607 0.566 0.922 0.575 CB 1.631 154 residues pruned to eliminate duplicates Z: 156 81.925 2.397 0.648 0.576 0.942 0.587 CB 1.643 156 residues pruned to eliminate duplicates Z: 84 49.759 2.296 0.652 0.568 0.904 0.578 CB 1.493 84 residues pruned to eliminate duplicates Z: 63 51.413 2.373 0.583 0.655 0.952 0.500 CB 1.581 63 residues pruned to eliminate duplicates Z: 146 71.863 2.372 0.644 0.554 0.924 0.490 CB 1.571 146 residues pruned to eliminate duplicates Z: 148 74.596 2.413 0.593 0.569 0.905 0.517 CB 1.655 148 residues pruned to eliminate duplicates Z: 97 51.886 2.312 0.636 0.557 0.875 0.542 CB 1.513 97 residues pruned to eliminate duplicates Z: 77 53.957 2.384 0.572 0.609 0.961 0.526 CB 1.550 77 residues pruned to eliminate duplicates Z: 106 52.112 2.354 0.567 0.522 0.876 0.467 CB 1.539 106 residues pruned to eliminate duplicates Z: 85 49.014 2.363 0.483 0.603 0.881 0.488 CB 1.570 85 residues pruned to eliminate duplicates Z: 42 35.045 2.359 0.694 0.506 0.927 0.537 CB 1.469 42 residues pruned to eliminate duplicates Z: 76 54.375 2.365 0.685 0.595 0.920 0.507 CB 1.563 76 residues pruned to eliminate duplicates Z: 156 81.698 2.406 0.620 0.569 0.935 0.587 CB 1.684 156 residues pruned to eliminate duplicates Z: 105 55.589 2.382 0.559 0.564 0.904 0.538 CB 1.526 105 residues pruned to eliminate duplicates Z: 102 53.554 2.338 0.598 0.552 0.921 0.574 CB 1.473 102 residues pruned to eliminate duplicates Z: 40 31.180 2.263 0.730 0.473 0.897 0.564 CB 1.461 40 residues pruned to eliminate duplicates Z: 65 63.488 2.408 0.801 0.645 0.969 0.484 CB 1.650 65 residues pruned to eliminate duplicates Z: 29 41.030 2.372 0.776 0.634 1.000 0.429 CB 1.624 29 residues pruned to eliminate duplicates Z: 39 39.539 2.386 0.650 0.525 0.947 0.500 CB 1.678 39 residues pruned to eliminate duplicates Z: 65 41.966 2.313 0.731 0.488 0.859 0.422 CB 1.544 65 residues pruned to eliminate duplicates Z: 162 70.990 2.371 0.635 0.532 0.894 0.491 CB 1.564 162 residues pruned to eliminate duplicates Z: 78 50.335 2.320 0.692 0.541 0.909 0.468 CB 1.543 78 residues pruned to eliminate duplicates Z: 56 32.029 2.140 0.567 0.488 0.873 0.618 CB 1.494 56 residues pruned to eliminate duplicates Z: 18 13.459 2.048 0.695 0.316 0.882 0.588 CB 1.305 18 residues pruned to eliminate duplicates Z: 18 11.777 2.060 0.446 0.307 0.882 0.529 CB 1.347 18 residues pruned to eliminate duplicates Z: 15 15.487 2.163 0.680 0.327 0.929 0.643 CB 1.482 15 residues pruned to eliminate duplicates Z: 12 12.658 2.245 0.342 0.395 0.909 0.636 CB 1.556 12 residues pruned to eliminate duplicates Z: 21 16.603 1.984 0.538 0.477 0.950 0.600 CB 1.311 21 residues pruned to eliminate duplicates Z: 16 13.674 2.124 0.464 0.387 0.867 0.600 CB 1.478 16 residues pruned to eliminate duplicates Z: 21 15.170 1.937 0.701 0.405 0.900 0.600 CB 1.263 21 residues pruned to eliminate duplicates Z: 18 15.421 2.103 0.550 0.436 0.941 0.824 CB 1.302 18 residues pruned to eliminate duplicates Z: 15 13.604 2.155 0.475 0.487 0.786 0.571 CB 1.475 15 residues pruned to eliminate duplicates Z: 20 14.862 1.989 0.491 0.452 0.947 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 19 15.843 2.039 0.558 0.431 0.944 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 12 19.289 2.365 0.543 0.525 0.909 0.727 CB 1.710 12 residues pruned to eliminate duplicates Z: 52 30.791 2.132 0.428 0.546 0.941 0.667 CB 1.439 52 residues pruned to eliminate duplicates Z: 18 13.573 2.097 0.363 0.410 0.882 0.471 CB 1.435 18 residues pruned to eliminate duplicates Z: 70 41.341 2.195 0.600 0.532 0.913 0.623 CB 1.504 70 residues pruned to eliminate duplicates Z: 16 13.769 2.150 0.618 0.323 0.867 0.467 CA 1.433 16 residues pruned to eliminate duplicates Z: 35 30.182 2.181 0.594 0.572 0.912 0.618 CB 1.523 35 residues pruned to eliminate duplicates Z: 37 27.614 2.125 0.576 0.561 0.944 0.639 CB 1.372 37 residues pruned to eliminate duplicates Z: 49 33.792 2.203 0.556 0.529 0.938 0.688 CB 1.476 49 residues pruned to eliminate duplicates Z: 40 26.478 2.222 0.534 0.442 0.846 0.538 CB 1.561 40 residues pruned to eliminate duplicates Z: 22 24.899 2.265 0.461 0.482 0.905 0.571 CB 1.849 22 residues pruned to eliminate duplicates Z: 31 26.667 2.160 0.644 0.471 0.933 0.633 CB 1.513 31 residues pruned to eliminate duplicates Z: 35 32.098 2.174 0.648 0.578 0.971 0.706 CB 1.469 35 residues pruned to eliminate duplicates Z: 37 27.401 2.093 0.591 0.555 0.889 0.611 CB 1.462 37 residues pruned to eliminate duplicates Z: 36 30.234 2.139 0.602 0.586 0.943 0.657 CB 1.456 36 residues pruned to eliminate duplicates Z: 22 23.981 2.249 0.617 0.496 0.857 0.619 CB 1.685 22 residues pruned to eliminate duplicates Z: 51 30.166 2.158 0.566 0.539 0.880 0.680 CB 1.381 51 residues pruned to eliminate duplicates Z: 36 30.156 2.112 0.710 0.585 0.914 0.686 CB 1.422 36 residues pruned to eliminate duplicates Z: 26 22.919 2.049 0.616 0.644 0.920 0.760 CB 1.316 26 residues pruned to eliminate duplicates Z: 22 23.301 2.252 0.436 0.485 0.905 0.571 CB 1.765 22 residues pruned to eliminate duplicates Z: 35 26.993 2.156 0.565 0.579 0.912 0.706 CB 1.395 35 residues pruned to eliminate duplicates Z: 38 24.638 2.185 0.451 0.429 0.892 0.568 CB 1.542 38 residues pruned to eliminate duplicates Z: 25 29.018 2.100 0.785 0.668 0.958 0.625 CB 1.412 25 residues pruned to eliminate duplicates Z: 35 28.897 2.173 0.554 0.575 0.912 0.618 CB 1.498 35 residues pruned to eliminate duplicates Z: 37 28.259 2.094 0.521 0.579 1.000 0.639 CB 1.370 37 residues pruned to eliminate duplicates Z: 35 31.135 2.201 0.592 0.583 0.941 0.676 CB 1.495 35 residues pruned to eliminate duplicates Z: 27 25.816 2.003 0.691 0.653 0.962 0.731 CB 1.348 27 residues pruned to eliminate duplicates Z: 38 26.970 2.116 0.525 0.518 0.946 0.595 CB 1.427 38 residues pruned to eliminate duplicates Z: 12 18.566 2.156 0.742 0.859 0.909 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 14 11.822 1.957 0.405 0.784 0.923 0.769 CB 1.006 14 residues pruned to eliminate duplicates Z: 33 27.311 2.121 0.577 0.641 0.875 0.500 CB 1.446 33 residues pruned to eliminate duplicates Z: 37 30.368 2.151 0.733 0.547 0.917 0.556 CB 1.415 37 residues pruned to eliminate duplicates Z: 15 17.463 1.988 0.562 0.756 1.000 0.500 CB 1.196 15 residues pruned to eliminate duplicates Z: 13 22.769 2.161 0.772 0.810 1.000 0.583 CB 1.310 13 residues pruned to eliminate duplicates Z: 15 11.191 2.024 0.465 0.590 0.857 0.571 CB 1.079 15 residues pruned to eliminate duplicates Z: 34 24.929 2.156 0.572 0.589 0.909 0.606 CB 1.292 34 residues pruned to eliminate duplicates Z: 34 23.749 2.140 0.527 0.580 0.879 0.515 CB 1.333 34 residues pruned to eliminate duplicates Z: 14 10.870 2.038 0.334 0.555 0.923 0.538 CB 1.139 14 residues pruned to eliminate duplicates Z: 32 26.165 2.181 0.505 0.610 0.871 0.645 CB 1.481 32 residues pruned to eliminate duplicates Z: 19 24.835 2.343 0.562 0.676 0.833 0.667 CB 1.632 19 residues pruned to eliminate duplicates Z: 19 22.221 2.261 0.560 0.588 0.833 0.667 CB 1.637 19 residues pruned to eliminate duplicates Z: 32 26.536 2.186 0.579 0.638 0.839 0.581 CB 1.446 32 residues pruned to eliminate duplicates Z: 32 31.568 2.175 0.618 0.626 0.968 0.452 CB 1.478 31 residues pruned to eliminate duplicates Z: 10 12.702 1.900 0.378 0.823 1.000 0.889 CB 1.223 10 residues pruned to eliminate duplicates Z: 34 22.439 2.153 0.363 0.594 0.879 0.455 CB 1.385 34 residues pruned to eliminate duplicates Z: 35 24.575 2.107 0.489 0.567 0.882 0.618 CB 1.427 35 residues pruned to eliminate duplicates Z: 34 19.937 2.131 0.419 0.579 0.788 0.606 CB 1.350 34 residues pruned to eliminate duplicates Z: 20 21.823 2.252 0.518 0.603 0.842 0.579 CB 1.578 20 residues pruned to eliminate duplicates Z: 33 27.946 2.183 0.539 0.591 0.969 0.594 CB 1.391 33 residues pruned to eliminate duplicates Z: 34 24.784 2.175 0.551 0.589 0.848 0.515 CB 1.384 34 residues pruned to eliminate duplicates Z: 10 16.289 1.957 1.177 0.552 0.778 0.333 CA 1.557 10 residues pruned to eliminate duplicates Z: 34 24.632 2.174 0.492 0.573 0.848 0.485 CB 1.453 34 residues pruned to eliminate duplicates Z: 20 27.134 2.220 0.686 0.616 0.947 0.737 CB 1.573 20 residues pruned to eliminate duplicates Z: 33 27.013 2.172 0.497 0.596 0.938 0.594 CB 1.429 33 residues pruned to eliminate duplicates Z: 20 22.094 2.207 0.790 0.575 0.842 0.474 CB 1.417 20 residues pruned to eliminate duplicates Z: 32 25.444 2.213 0.536 0.603 0.935 0.645 CB 1.303 32 residues pruned to eliminate duplicates Z: 19 19.246 2.218 0.307 0.495 0.944 0.611 CB 1.665 20 residues pruned to eliminate duplicates Z: 10 17.362 2.106 0.349 0.866 0.889 0.667 CA 1.677 10 residues pruned to eliminate duplicates Z: 60 33.851 2.189 0.261 0.528 0.915 0.661 CB 1.696 60 residues pruned to eliminate duplicates Z: 21 17.055 2.081 0.311 0.501 0.900 0.650 CB 1.552 20 residues pruned to eliminate duplicates Z: 10 18.560 2.144 0.431 0.849 0.889 0.778 CB 1.682 10 residues pruned to eliminate duplicates Z: 20 17.331 2.112 0.314 0.527 0.895 0.632 CB 1.559 20 residues pruned to eliminate duplicates Z: 22 12.166 1.875 0.305 0.519 0.810 0.476 CB 1.316 22 residues pruned to eliminate duplicates Z: 33 29.854 2.020 0.587 0.700 0.938 0.562 CB 1.462 33 residues pruned to eliminate duplicates Z: 13 15.919 2.163 0.346 0.676 0.833 0.583 CA 1.611 13 residues pruned to eliminate duplicates Z: 19 18.846 2.214 0.296 0.471 0.889 0.667 CB 1.794 19 residues pruned to eliminate duplicates Z: 20 20.122 2.129 0.278 0.531 0.947 0.684 CB 1.737 20 residues pruned to eliminate duplicates Z: 43 29.629 2.106 0.457 0.556 0.929 0.619 CB 1.520 43 residues pruned to eliminate duplicates Z: 80 47.620 2.306 0.440 0.509 0.937 0.608 CB 1.707 80 residues pruned to eliminate duplicates Z: 10 8.123 2.209 0.166 0.284 0.889 0.778 CB 1.508 10 residues pruned to eliminate duplicates Z: 27 13.735 2.116 0.221 0.341 0.885 0.615 CB 1.401 27 residues pruned to eliminate duplicates Z: 22 11.030 1.845 0.254 0.369 0.857 0.524 CB 1.396 22 residues pruned to eliminate duplicates Z: 45 27.853 2.160 0.515 0.503 0.864 0.591 CB 1.482 45 residues pruned to eliminate duplicates Z: 63 35.767 2.107 0.537 0.484 0.935 0.581 CB 1.523 63 residues pruned to eliminate duplicates Z: 86 47.500 2.255 0.378 0.498 0.965 0.588 CB 1.723 86 residues pruned to eliminate duplicates Z: 42 19.589 1.993 0.317 0.373 0.878 0.488 CB 1.521 42 residues pruned to eliminate duplicates Z: 64 44.173 2.331 0.445 0.529 0.937 0.524 CB 1.714 64 residues pruned to eliminate duplicates Z: 31 19.449 2.156 0.315 0.437 0.867 0.567 CB 1.543 31 residues pruned to eliminate duplicates Z: 58 39.101 2.387 0.321 0.521 0.877 0.544 CB 1.834 58 residues pruned to eliminate duplicates Z: 62 43.121 2.343 0.409 0.516 0.902 0.607 CB 1.825 62 residues pruned to eliminate duplicates Z: 28 25.871 2.211 0.573 0.478 0.926 0.556 CB 1.580 28 residues pruned to eliminate duplicates Z: 14 10.469 2.128 0.305 0.403 0.769 0.308 CB 1.506 14 residues pruned to eliminate duplicates Z: 63 44.759 2.315 0.476 0.513 0.919 0.532 CB 1.786 63 residues pruned to eliminate duplicates Z: 60 50.320 2.430 0.534 0.534 0.932 0.576 CB 1.822 60 residues pruned to eliminate duplicates Z: 25 24.065 2.307 0.530 0.526 0.833 0.500 CB 1.627 25 residues pruned to eliminate duplicates Z: 61 43.123 2.310 0.467 0.532 0.933 0.567 CB 1.706 61 residues pruned to eliminate duplicates Z: 56 47.319 2.392 0.531 0.539 0.945 0.582 CB 1.774 56 residues pruned to eliminate duplicates Z: 24 29.058 2.316 0.711 0.529 0.957 0.609 CB 1.554 24 residues pruned to eliminate duplicates Z: 21 21.296 2.248 0.679 0.461 0.900 0.300 CB 1.458 21 residues pruned to eliminate duplicates Z: 24 23.076 2.275 0.602 0.523 0.913 0.522 CB 1.414 24 residues pruned to eliminate duplicates Z: 61 47.253 2.365 0.513 0.523 0.950 0.633 CB 1.755 61 residues pruned to eliminate duplicates Z: 75 45.377 2.312 0.454 0.531 0.932 0.500 CB 1.632 75 residues pruned to eliminate duplicates Z: 62 41.657 2.315 0.453 0.521 0.934 0.525 CB 1.662 62 residues pruned to eliminate duplicates Z: 59 49.186 2.376 0.507 0.560 0.983 0.534 CB 1.732 59 residues pruned to eliminate duplicates Z: 65 43.064 2.314 0.436 0.504 0.922 0.500 CB 1.750 65 residues pruned to eliminate duplicates Z: 45 39.792 2.302 0.619 0.517 0.955 0.568 CB 1.658 45 residues pruned to eliminate duplicates Z: 53 48.696 2.420 0.464 0.584 0.962 0.635 CB 1.829 53 residues pruned to eliminate duplicates Z: 40 32.388 2.384 0.264 0.511 0.949 0.590 CA 1.794 40 residues pruned to eliminate duplicates Z: 69 44.879 2.301 0.555 0.537 0.897 0.588 CB 1.634 69 residues pruned to eliminate duplicates Z: 63 39.125 2.313 0.356 0.510 0.887 0.516 CB 1.768 63 residues pruned to eliminate duplicates Z: 57 43.266 2.370 0.344 0.530 0.982 0.607 CB 1.796 57 residues pruned to eliminate duplicates Z: 58 47.834 2.374 0.533 0.529 0.947 0.544 CB 1.786 58 residues pruned to eliminate duplicates Z: 62 45.964 2.336 0.535 0.520 0.918 0.508 CB 1.753 62 residues pruned to eliminate duplicates Z: 61 43.478 2.405 0.413 0.549 0.900 0.617 CB 1.750 61 residues pruned to eliminate duplicates Z: 65 47.198 2.339 0.471 0.574 0.938 0.594 CB 1.704 65 residues pruned to eliminate duplicates Z: 58 50.370 2.351 0.583 0.557 0.947 0.421 CB 1.791 58 residues pruned to eliminate duplicates Z: 60 49.393 2.390 0.528 0.525 0.949 0.525 CB 1.810 60 residues pruned to eliminate duplicates Z: 65 50.102 2.342 0.608 0.513 0.922 0.516 CB 1.780 65 residues pruned to eliminate duplicates Z: 41 37.706 2.384 0.429 0.505 0.925 0.575 CA 1.882 41 residues pruned to eliminate duplicates Z: 62 47.846 2.359 0.519 0.535 0.934 0.557 CB 1.766 62 residues pruned to eliminate duplicates Z: 55 49.197 2.375 0.627 0.544 0.944 0.556 CB 1.757 55 residues pruned to eliminate duplicates Z: 57 46.854 2.370 0.458 0.536 0.964 0.518 CB 1.814 57 residues pruned to eliminate duplicates Z: 55 44.586 2.374 0.496 0.552 0.907 0.519 CB 1.789 55 residues pruned to eliminate duplicates Z: 56 48.289 2.357 0.573 0.577 0.927 0.582 CB 1.759 56 residues pruned to eliminate duplicates Z: 61 49.720 2.364 0.502 0.540 0.950 0.583 CB 1.829 61 residues pruned to eliminate duplicates Z: 61 47.036 2.321 0.549 0.519 0.950 0.567 CB 1.744 61 residues pruned to eliminate duplicates Z: 63 49.272 2.352 0.532 0.541 0.935 0.452 CA 1.782 63 residues pruned to eliminate duplicates Z: 39 37.276 2.331 0.496 0.551 0.921 0.632 CA 1.792 39 residues pruned to eliminate duplicates Z: 54 48.069 2.398 0.508 0.560 0.943 0.566 CB 1.825 54 residues pruned to eliminate duplicates Z: 57 46.640 2.356 0.504 0.519 0.946 0.536 CB 1.823 57 residues pruned to eliminate duplicates Z: 61 44.697 2.366 0.526 0.522 0.900 0.533 CB 1.738 61 residues pruned to eliminate duplicates Z: 59 47.285 2.344 0.588 0.522 0.914 0.500 CB 1.786 59 residues pruned to eliminate duplicates Z: 62 39.627 2.311 0.510 0.515 0.869 0.459 CB 1.648 62 residues pruned to eliminate duplicates Z: 62 51.437 2.371 0.619 0.522 0.918 0.508 CB 1.829 62 residues pruned to eliminate duplicates Z: 62 46.881 2.346 0.544 0.532 0.934 0.475 CB 1.719 62 residues pruned to eliminate duplicates Z: 61 42.265 2.330 0.510 0.520 0.900 0.483 CB 1.689 61 residues pruned to eliminate duplicates Z: 54 53.792 2.416 0.643 0.564 0.962 0.642 CB 1.819 54 residues pruned to eliminate duplicates Z: 62 49.630 2.369 0.540 0.550 0.951 0.492 CB 1.745 62 residues pruned to eliminate duplicates Z: 59 47.960 2.397 0.579 0.550 0.948 0.534 CB 1.671 59 residues pruned to eliminate duplicates Z: 59 44.471 2.327 0.557 0.536 0.897 0.500 CB 1.736 59 residues pruned to eliminate duplicates Z: 55 49.759 2.432 0.519 0.565 0.944 0.667 CB 1.823 55 residues pruned to eliminate duplicates Z: 60 49.654 2.405 0.563 0.524 0.915 0.508 CB 1.836 60 residues pruned to eliminate duplicates Z: 60 35.021 2.256 0.546 0.389 0.932 0.390 CB 1.577 60 residues pruned to eliminate duplicates Z: 19 17.949 2.151 0.620 0.323 0.889 0.444 CA 1.659 19 residues pruned to eliminate duplicates Z: 65 47.754 2.355 0.659 0.495 0.906 0.438 CB 1.694 65 residues pruned to eliminate duplicates Z: 16 10.792 1.924 0.677 0.314 0.800 0.400 CA 1.326 16 residues pruned to eliminate duplicates Z: 66 44.513 2.315 0.601 0.505 0.877 0.508 CB 1.691 66 residues pruned to eliminate duplicates Z: 32 20.341 1.995 0.285 0.586 1.000 0.516 CB 1.312 32 residues pruned to eliminate duplicates Z: 27 21.708 2.129 0.290 0.665 1.000 0.692 CB 1.330 27 residues pruned to eliminate duplicates Z: 27 21.624 2.133 0.393 0.619 0.962 0.615 CB 1.326 27 residues pruned to eliminate duplicates Z: 27 24.614 2.116 0.507 0.637 1.000 0.577 CB 1.332 27 residues pruned to eliminate duplicates Z: 29 22.446 2.071 0.546 0.598 0.964 0.536 CB 1.252 29 residues pruned to eliminate duplicates Z: 31 23.248 2.036 0.484 0.642 0.967 0.533 CB 1.274 31 residues pruned to eliminate duplicates Z: 22 27.510 2.129 0.623 0.735 0.952 0.667 CB 1.477 22 residues pruned to eliminate duplicates Z: 22 26.935 2.149 0.464 0.703 1.000 0.667 CB 1.553 22 residues pruned to eliminate duplicates Z: 28 22.436 2.102 0.356 0.668 1.000 0.593 CB 1.297 30 residues pruned to eliminate duplicates Z: 16 20.443 2.065 0.623 0.865 1.000 0.533 CB 1.154 16 residues pruned to eliminate duplicates Z: 23 25.254 2.088 0.612 0.695 0.955 0.636 CB 1.402 23 residues pruned to eliminate duplicates Z: 28 21.049 2.106 0.576 0.600 0.889 0.519 CB 1.248 28 residues pruned to eliminate duplicates Z: 27 23.765 2.110 0.480 0.633 1.000 0.577 CB 1.317 27 residues pruned to eliminate duplicates Z: 27 23.319 2.101 0.600 0.616 0.962 0.654 CB 1.267 27 residues pruned to eliminate duplicates Z: 26 25.398 2.101 0.611 0.672 1.000 0.480 CB 1.280 26 residues pruned to eliminate duplicates Z: 22 27.972 2.172 0.528 0.733 1.000 0.667 CB 1.492 22 residues pruned to eliminate duplicates Z: 27 26.472 2.131 0.528 0.662 1.000 0.654 CB 1.372 27 residues pruned to eliminate duplicates Z: 22 26.386 2.161 0.637 0.719 0.952 0.667 CB 1.403 22 residues pruned to eliminate duplicates Z: 23 27.196 2.123 0.593 0.717 1.000 0.591 CB 1.410 23 residues pruned to eliminate duplicates Z: 22 27.458 2.143 0.557 0.682 1.000 0.571 CB 1.519 22 residues pruned to eliminate duplicates Z: 29 21.899 2.086 0.532 0.589 0.964 0.571 CB 1.233 29 residues pruned to eliminate duplicates Z: 30 22.147 1.983 0.450 0.638 1.000 0.586 CB 1.257 30 residues pruned to eliminate duplicates Z: 10 8.887 1.831 0.707 0.343 0.889 0.333 CA 1.265 10 residues pruned to eliminate duplicates Z: 11 10.278 1.898 0.643 0.384 0.800 0.300 CA 1.475 11 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 13 B: 14 C: 12 D: 26 E: 17 F: 15 G: 222 H: 111 I: 7 CC for partial structure against native data = 30.42 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.299, Contrast = 0.484, Connect. = 0.746 for dens.mod. cycle 1 = 0.299, Contrast = 0.534, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.675, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.688, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.701, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.708, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.715, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.720, Connect. = 0.808 for dens.mod. cycle 8 = 0.299, Contrast = 0.724, Connect. = 0.809 for dens.mod. cycle 9 = 0.299, Contrast = 0.727, Connect. = 0.810 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2889 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 552 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 36.437 2.275 0.740 0.943 0.947 0.526 CB 1.544 B: 39 28.430 1.983 0.680 0.590 0.947 0.737 CB 1.341 C: 18 32.052 2.386 0.469 0.915 0.882 0.588 CB 1.777 18 residues pruned to eliminate duplicates D: 15 24.648 2.211 0.480 0.867 1.000 0.786 CB 1.473 E: 16 24.521 2.171 0.533 0.849 1.000 1.000 CB 1.410 17 residues pruned to eliminate duplicates F: 14 40.259 2.491 0.656 0.932 1.000 0.846 CA 1.891 G: 20 34.149 2.280 0.769 0.920 0.947 0.632 CB 1.443 20 residues pruned to eliminate duplicates H: 15 20.030 2.091 0.830 0.844 0.929 0.643 CB 1.121 I: 18 40.979 2.380 0.657 0.931 1.000 0.588 CB 1.761 18 residues pruned to eliminate duplicates J: 14 38.845 2.480 0.644 0.899 1.000 0.846 CB 1.889 14 residues pruned to eliminate duplicates K: 19 15.219 2.088 0.411 0.337 0.889 0.389 CA 1.638 L: 16 17.371 2.144 0.252 0.835 0.933 0.800 CA 1.341 M: 13 20.197 2.383 0.032 0.838 1.000 0.833 CB 1.773 N: 19 26.503 2.131 0.396 0.886 1.000 0.889 CB 1.516 19 residues pruned to eliminate duplicates O: 14 31.256 2.507 0.353 0.889 1.000 0.846 CB 1.839 14 residues pruned to eliminate duplicates P: 13 14.642 2.251 0.384 0.491 0.917 0.667 CB 1.494 Q: 13 23.459 2.212 0.515 0.897 1.000 0.917 CA 1.446 13 residues pruned to eliminate duplicates R: 14 31.062 2.308 0.624 0.848 1.000 0.615 CA 1.704 13 residues pruned to eliminate duplicates S: 9 11.604 1.846 0.265 0.874 1.000 1.000 CB 1.279 9 residues pruned to eliminate duplicates T: 12 24.323 2.444 0.283 0.830 1.000 0.909 CB 1.759 12 residues pruned to eliminate duplicates U: 16 10.273 1.875 0.589 0.288 0.867 0.400 CB 1.304 V: 73 36.946 2.281 0.248 0.502 0.917 0.597 CB 1.666 59 residues pruned to eliminate duplicates W: 31 15.549 2.042 0.340 0.414 0.767 0.600 CB 1.481 X: 6 7.252 2.258 0.351 0.495 0.600 0.600 CB 1.781 Y: 21 27.561 2.258 0.346 0.913 0.900 0.900 CB 1.595 21 residues pruned to eliminate duplicates Z: 7 11.596 2.093 0.084 0.797 1.000 0.833 CB 1.609 7 residues pruned to eliminate duplicates Z: 15 37.699 2.411 0.742 0.882 1.000 0.857 CA 1.736 15 residues pruned to eliminate duplicates Z: 18 27.637 2.152 0.419 0.921 1.000 0.647 CB 1.545 Z: 17 18.680 2.078 0.624 0.765 0.938 0.688 CA 1.167 17 residues pruned to eliminate duplicates Z: 20 40.589 2.330 0.643 0.932 1.000 0.684 CB 1.699 20 residues pruned to eliminate duplicates Z: 15 22.857 2.197 0.476 0.897 0.929 0.571 CA 1.452 15 residues pruned to eliminate duplicates Z: 14 28.759 2.327 0.398 0.843 1.000 0.615 CA 1.827 14 residues pruned to eliminate duplicates Z: 9 14.440 2.070 0.079 0.913 1.000 1.000 CB 1.618 Z: 14 18.820 2.233 0.159 0.930 1.000 0.846 CB 1.410 13 residues pruned to eliminate duplicates Z: 8 11.452 1.842 0.170 0.909 1.000 1.000 CB 1.425 8 residues pruned to eliminate duplicates Z: 69 41.188 2.323 0.483 0.550 0.882 0.544 CB 1.565 49 residues pruned to eliminate duplicates Z: 52 48.744 2.373 0.636 0.566 0.961 0.588 CB 1.716 48 residues pruned to eliminate duplicates Z: 11 15.632 2.116 0.329 0.816 0.900 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 17 30.148 2.269 0.486 0.921 1.000 0.562 CB 1.572 17 residues pruned to eliminate duplicates Z: 18 33.682 2.201 0.725 0.943 1.000 0.765 CB 1.492 18 residues pruned to eliminate duplicates Z: 18 25.153 2.059 0.491 0.911 0.941 0.588 CB 1.497 18 residues pruned to eliminate duplicates Z: 30 21.291 2.279 0.519 0.475 0.897 0.655 CB 1.306 Z: 6 10.159 2.228 0.394 0.775 0.800 0.600 CB 1.435 Z: 17 20.564 2.123 0.508 0.770 0.938 0.750 CA 1.349 17 residues pruned to eliminate duplicates Z: 15 38.639 2.414 0.885 0.888 1.000 0.929 CB 1.634 15 residues pruned to eliminate duplicates Z: 6 10.055 2.376 0.330 0.579 0.800 0.400 CA 1.649 Z: 19 26.483 2.073 0.359 0.941 1.000 0.944 CB 1.538 18 residues pruned to eliminate duplicates Z: 18 30.747 2.295 0.925 0.888 0.765 0.471 CB 1.590 18 residues pruned to eliminate duplicates Z: 14 43.777 2.520 0.874 0.894 1.000 0.692 CB 1.845 14 residues pruned to eliminate duplicates Z: 17 35.884 2.412 0.744 0.922 0.938 0.625 CB 1.600 17 residues pruned to eliminate duplicates Z: 21 33.474 2.292 0.402 0.937 1.000 0.700 CB 1.621 20 residues pruned to eliminate duplicates Z: 16 22.404 2.317 0.394 0.813 0.800 0.533 CA 1.706 16 residues pruned to eliminate duplicates Z: 15 16.166 2.027 0.308 0.904 1.000 0.643 CB 1.160 Z: 15 23.980 2.277 0.505 0.833 0.786 0.429 CB 1.786 15 residues pruned to eliminate duplicates Z: 15 13.152 2.210 0.151 0.413 0.929 0.500 CA 1.631 15 residues pruned to eliminate duplicates Z: 32 25.218 2.261 0.505 0.487 0.871 0.581 CB 1.548 33 residues pruned to eliminate duplicates Z: 14 29.017 2.270 0.734 0.890 1.000 0.923 CB 1.471 14 residues pruned to eliminate duplicates Z: 8 8.922 1.982 0.208 0.677 1.000 0.571 CA 1.197 7 residues pruned to eliminate duplicates Z: 12 18.226 2.021 0.625 0.848 0.818 0.727 CB 1.517 Z: 54 46.224 2.445 0.565 0.575 0.925 0.623 CB 1.669 39 residues pruned to eliminate duplicates Z: 16 30.367 2.300 0.766 0.896 0.933 0.733 CA 1.481 16 residues pruned to eliminate duplicates Z: 19 24.681 2.075 0.429 0.934 1.000 0.722 CB 1.368 19 residues pruned to eliminate duplicates Z: 24 21.698 2.055 0.547 0.496 0.870 0.696 CB 1.644 22 residues pruned to eliminate duplicates Z: 13 13.202 2.060 0.449 0.525 1.000 0.917 CB 1.245 13 residues pruned to eliminate duplicates Z: 16 19.514 2.092 0.610 0.587 1.000 0.533 CB 1.376 Z: 19 27.755 2.079 0.505 0.938 1.000 0.889 CB 1.454 19 residues pruned to eliminate duplicates Z: 44 23.353 2.300 0.259 0.454 0.907 0.442 CB 1.421 31 residues pruned to eliminate duplicates Z: 14 22.594 2.239 0.464 0.905 1.000 0.692 CB 1.360 14 residues pruned to eliminate duplicates Z: 7 10.978 2.065 0.170 0.812 0.833 0.833 CB 1.697 7 residues pruned to eliminate duplicates Z: 10 21.064 2.160 0.600 0.893 1.000 0.667 CB 1.458 10 residues pruned to eliminate duplicates Z: 32 27.901 2.229 0.479 0.574 0.903 0.516 CB 1.568 32 residues pruned to eliminate duplicates Z: 34 33.287 2.149 0.705 0.627 1.000 0.697 CB 1.403 41 residues pruned to eliminate duplicates Z: 72 42.710 2.310 0.398 0.498 0.930 0.549 CB 1.692 72 residues pruned to eliminate duplicates Z: 14 32.920 2.381 0.860 0.839 1.000 0.462 CA 1.540 14 residues pruned to eliminate duplicates Z: 20 17.341 1.999 0.794 0.411 0.947 0.579 CB 1.285 20 residues pruned to eliminate duplicates Z: 14 33.575 2.274 0.786 0.874 1.000 0.692 CB 1.670 14 residues pruned to eliminate duplicates Z: 17 40.455 2.362 0.886 0.928 0.938 0.438 CB 1.696 20 residues pruned to eliminate duplicates Z: 11 17.618 2.095 0.449 0.879 1.000 0.900 CB 1.331 11 residues pruned to eliminate duplicates Z: 69 42.446 2.340 0.532 0.551 0.882 0.559 CB 1.548 67 residues pruned to eliminate duplicates Z: 17 27.658 2.168 0.437 0.900 1.000 0.938 CB 1.585 17 residues pruned to eliminate duplicates Z: 11 23.066 2.097 0.841 0.913 1.000 0.800 CB 1.337 11 residues pruned to eliminate duplicates Z: 20 22.939 2.146 0.574 0.506 0.947 0.684 CB 1.635 20 residues pruned to eliminate duplicates Z: 46 23.911 2.254 0.244 0.437 0.889 0.511 CB 1.526 45 residues pruned to eliminate duplicates Z: 17 30.034 2.206 0.532 0.940 1.000 0.688 CB 1.543 18 residues pruned to eliminate duplicates Z: 11 17.520 2.051 0.530 0.903 1.000 0.600 CB 1.258 11 residues pruned to eliminate duplicates Z: 6 9.009 2.116 0.138 0.577 1.000 0.400 CA 1.554 6 residues pruned to eliminate duplicates Z: 12 12.253 2.001 0.414 0.634 0.818 0.727 CB 1.408 6 residues pruned to eliminate duplicates Z: 9 10.220 1.939 0.021 0.841 1.000 0.500 CB 1.361 9 residues pruned to eliminate duplicates Z: 6 4.047 1.451 0.459 0.634 0.800 0.600 N 0.942 6 residues pruned to eliminate duplicates Z: 11 19.499 2.027 0.270 0.921 1.000 0.900 CB 1.686 11 residues pruned to eliminate duplicates Z: 14 28.406 2.237 0.749 0.904 1.000 0.692 CB 1.434 14 residues pruned to eliminate duplicates Z: 18 26.871 2.175 0.332 0.931 1.000 0.882 CB 1.572 18 residues pruned to eliminate duplicates Z: 16 24.178 2.162 0.764 0.886 0.867 0.600 CB 1.363 16 residues pruned to eliminate duplicates Z: 13 24.742 2.444 0.184 0.898 1.000 0.917 CB 1.766 13 residues pruned to eliminate duplicates Z: 37 30.788 2.382 0.582 0.497 0.861 0.556 CB 1.587 37 residues pruned to eliminate duplicates Z: 65 53.033 2.397 0.534 0.590 0.938 0.656 CB 1.763 66 residues pruned to eliminate duplicates Z: 12 16.027 2.052 0.500 0.910 1.000 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 33 27.902 2.196 0.388 0.582 0.875 0.812 CB 1.709 33 residues pruned to eliminate duplicates Z: 15 15.845 2.204 0.066 0.830 1.000 0.714 CA 1.355 15 residues pruned to eliminate duplicates Z: 16 28.547 2.255 0.521 0.899 1.000 0.467 CB 1.537 16 residues pruned to eliminate duplicates Z: 15 20.940 2.038 0.279 0.919 1.000 0.929 CB 1.513 15 residues pruned to eliminate duplicates Z: 121 60.180 2.366 0.557 0.533 0.933 0.567 CB 1.548 121 residues pruned to eliminate duplicates Z: 11 16.952 2.083 0.387 0.901 1.000 1.000 CB 1.324 11 residues pruned to eliminate duplicates Z: 15 15.230 1.922 0.193 0.837 1.000 0.714 CB 1.328 9 residues pruned to eliminate duplicates Z: 51 45.840 2.382 0.641 0.589 0.900 0.640 CB 1.693 51 residues pruned to eliminate duplicates Z: 8 16.032 1.936 0.574 0.821 1.000 0.714 CA 1.505 Z: 71 37.307 2.316 0.333 0.501 0.900 0.529 CB 1.603 71 residues pruned to eliminate duplicates Z: 8 13.348 2.061 0.449 0.896 1.000 0.857 CB 1.210 9 residues pruned to eliminate duplicates Z: 29 21.546 1.989 0.475 0.676 0.964 0.571 CB 1.224 25 residues pruned to eliminate duplicates Z: 12 32.984 2.497 0.554 0.844 1.000 0.727 CB 1.907 12 residues pruned to eliminate duplicates Z: 6 7.614 2.026 0.587 0.509 1.000 0.400 CA 1.050 6 residues pruned to eliminate duplicates Z: 15 21.484 2.298 0.190 0.839 1.000 0.714 CA 1.569 15 residues pruned to eliminate duplicates Z: 7 12.566 2.002 0.375 0.867 1.000 0.833 CB 1.362 7 residues pruned to eliminate duplicates Z: 52 28.748 2.064 0.514 0.537 0.843 0.549 CB 1.474 46 residues pruned to eliminate duplicates Z: 12 13.923 1.975 0.431 0.860 0.818 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 70 43.319 2.227 0.572 0.487 0.928 0.536 CB 1.626 70 residues pruned to eliminate duplicates Z: 16 31.713 2.253 0.545 0.908 1.000 0.600 CA 1.672 16 residues pruned to eliminate duplicates Z: 11 7.226 1.788 0.293 0.296 0.900 0.500 CA 1.381 Z: 60 39.792 2.215 0.543 0.598 0.864 0.542 CB 1.597 75 residues pruned to eliminate duplicates Z: 13 48.172 2.475 1.135 0.936 1.000 1.000 CA 1.832 13 residues pruned to eliminate duplicates Z: 64 35.329 2.289 0.334 0.567 0.921 0.571 CB 1.484 64 residues pruned to eliminate duplicates Z: 11 19.112 2.090 0.251 0.883 1.000 0.700 CA 1.671 11 residues pruned to eliminate duplicates Z: 20 30.722 2.268 0.449 0.931 0.947 0.895 CB 1.582 20 residues pruned to eliminate duplicates Z: 15 22.854 2.272 0.303 0.834 0.929 0.786 CA 1.666 15 residues pruned to eliminate duplicates Z: 40 23.014 2.314 0.316 0.420 0.897 0.410 CB 1.465 40 residues pruned to eliminate duplicates Z: 8 15.606 2.058 0.645 0.891 1.000 0.714 CB 1.252 8 residues pruned to eliminate duplicates Z: 8 10.597 1.856 0.096 0.875 1.000 0.714 CB 1.432 8 residues pruned to eliminate duplicates Z: 9 11.910 1.933 0.555 0.854 0.875 0.875 CB 1.182 9 residues pruned to eliminate duplicates Z: 12 13.624 1.978 0.494 0.809 0.818 0.545 CB 1.298 12 residues pruned to eliminate duplicates Z: 13 13.666 2.253 0.483 0.543 0.917 0.833 CB 1.235 13 residues pruned to eliminate duplicates Z: 47 30.082 2.053 0.507 0.609 0.957 0.674 CB 1.351 49 residues pruned to eliminate duplicates Z: 15 17.663 2.275 0.188 0.824 0.929 0.643 CA 1.420 15 residues pruned to eliminate duplicates Z: 7 5.811 2.004 0.075 0.487 0.833 0.667 CA 1.338 7 residues pruned to eliminate duplicates Z: 61 54.912 2.423 0.695 0.579 0.950 0.683 CB 1.685 61 residues pruned to eliminate duplicates Z: 11 12.045 2.121 0.202 0.916 0.900 0.800 CB 1.173 11 residues pruned to eliminate duplicates Z: 14 16.310 2.005 0.256 0.885 0.923 0.846 CA 1.404 14 residues pruned to eliminate duplicates Z: 15 25.471 2.231 0.573 0.874 1.000 0.714 CB 1.412 15 residues pruned to eliminate duplicates Z: 9 10.183 1.855 0.496 0.851 0.750 0.625 CA 1.280 8 residues pruned to eliminate duplicates Z: 18 15.920 1.984 0.516 0.459 1.000 0.647 CB 1.338 9 residues pruned to eliminate duplicates Z: 18 29.383 2.148 0.795 0.930 0.941 0.412 CB 1.373 18 residues pruned to eliminate duplicates Z: 92 47.406 2.358 0.581 0.482 0.857 0.549 CB 1.584 92 residues pruned to eliminate duplicates Z: 14 17.194 2.105 0.452 0.789 0.846 0.846 CB 1.430 14 residues pruned to eliminate duplicates Z: 15 22.950 2.260 0.335 0.881 1.000 1.000 CB 1.473 15 residues pruned to eliminate duplicates Z: 7 4.005 1.754 0.160 0.514 0.667 0.667 CA 1.189 7 residues pruned to eliminate duplicates Z: 18 17.021 2.030 0.036 0.923 0.941 0.941 CA 1.465 18 residues pruned to eliminate duplicates Z: 12 21.796 2.016 0.548 0.885 1.000 0.727 CB 1.521 12 residues pruned to eliminate duplicates Z: 14 21.762 1.927 0.660 0.881 0.923 0.538 CB 1.480 Z: 12 17.264 1.941 0.374 0.795 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 15 18.468 2.147 0.487 0.879 0.929 0.786 CB 1.208 15 residues pruned to eliminate duplicates Z: 8 10.410 2.086 0.060 0.857 1.000 1.000 CB 1.311 8 residues pruned to eliminate duplicates Z: 38 40.784 2.343 0.631 0.550 0.946 0.595 CA 1.767 38 residues pruned to eliminate duplicates Z: 73 48.251 2.405 0.502 0.532 0.944 0.597 CB 1.616 73 residues pruned to eliminate duplicates Z: 14 15.177 1.955 0.070 0.845 1.000 0.846 CB 1.496 14 residues pruned to eliminate duplicates Z: 7 9.418 2.010 0.362 0.505 1.000 0.833 CA 1.398 7 residues pruned to eliminate duplicates Z: 12 13.902 1.894 0.437 0.857 0.909 0.636 CA 1.249 12 residues pruned to eliminate duplicates Z: 29 19.800 2.275 0.233 0.477 0.821 0.607 CB 1.663 29 residues pruned to eliminate duplicates Z: 30 22.813 1.963 0.605 0.637 0.931 0.586 CB 1.270 30 residues pruned to eliminate duplicates Z: 8 10.966 1.877 0.216 0.835 1.000 0.714 CB 1.360 8 residues pruned to eliminate duplicates Z: 11 14.024 2.190 0.294 0.701 0.800 0.700 CA 1.629 11 residues pruned to eliminate duplicates Z: 9 11.928 1.902 0.075 0.907 1.000 1.000 CA 1.465 9 residues pruned to eliminate duplicates Z: 14 13.809 2.297 0.103 0.414 0.923 0.538 CA 1.792 14 residues pruned to eliminate duplicates Z: 14 27.359 2.316 0.643 0.901 1.000 0.846 CB 1.423 14 residues pruned to eliminate duplicates Z: 9 5.317 1.927 0.089 0.492 0.875 0.500 CB 1.031 Z: 30 17.489 2.240 0.320 0.441 0.828 0.448 CB 1.410 30 residues pruned to eliminate duplicates Z: 8 12.309 1.876 0.351 0.782 1.000 0.714 CB 1.431 10 residues pruned to eliminate duplicates Z: 15 14.287 1.959 0.463 0.908 0.929 0.429 CB 1.019 15 residues pruned to eliminate duplicates Z: 11 17.570 2.075 0.515 0.889 1.000 1.000 CB 1.272 11 residues pruned to eliminate duplicates Z: 18 19.781 2.073 0.271 0.895 0.882 0.588 CA 1.479 18 residues pruned to eliminate duplicates Z: 68 46.992 2.361 0.558 0.565 0.925 0.567 CB 1.583 68 residues pruned to eliminate duplicates Z: 14 26.010 2.251 0.674 0.909 1.000 0.769 CB 1.358 14 residues pruned to eliminate duplicates Z: 12 25.830 2.321 0.639 0.806 1.000 0.455 CA 1.567 12 residues pruned to eliminate duplicates Z: 13 12.793 2.153 0.373 0.573 0.750 0.583 CB 1.552 13 residues pruned to eliminate duplicates Z: 15 19.454 2.175 0.259 0.828 0.929 0.857 CB 1.540 15 residues pruned to eliminate duplicates Z: 10 12.528 1.790 0.578 0.863 0.889 0.889 CB 1.220 9 residues pruned to eliminate duplicates Z: 14 20.023 1.890 0.400 0.864 1.000 0.846 CA 1.540 14 residues pruned to eliminate duplicates Z: 18 23.142 2.255 0.399 0.751 0.882 0.588 CA 1.612 18 residues pruned to eliminate duplicates Z: 33 29.564 2.285 0.306 0.586 0.938 0.750 CB 1.720 33 residues pruned to eliminate duplicates Z: 16 11.688 2.120 0.186 0.335 0.867 0.667 CB 1.659 6 residues pruned to eliminate duplicates Z: 16 8.597 1.866 0.214 0.351 0.867 0.400 CB 1.329 25 residues pruned to eliminate duplicates Z: 29 24.921 2.090 0.197 0.835 0.929 0.750 CB 1.519 29 residues pruned to eliminate duplicates Z: 15 17.387 1.844 0.268 0.869 1.000 0.929 CB 1.451 15 residues pruned to eliminate duplicates Z: 13 10.504 2.001 0.559 0.525 0.667 0.333 CB 1.423 7 residues pruned to eliminate duplicates Z: 11 12.030 1.726 0.406 0.850 1.000 0.600 CB 1.161 10 residues pruned to eliminate duplicates Z: 12 16.530 1.971 0.442 0.879 0.909 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 11 16.457 2.051 0.349 0.886 1.000 1.000 CB 1.357 11 residues pruned to eliminate duplicates Z: 6 6.204 1.696 0.284 0.831 0.800 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 14 24.389 2.328 0.497 0.833 1.000 0.692 CA 1.457 14 residues pruned to eliminate duplicates Z: 9 10.392 1.799 0.632 0.848 1.000 0.625 CB 0.928 9 residues pruned to eliminate duplicates Z: 14 19.659 2.089 0.626 0.922 0.923 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 14 14.738 1.809 0.322 0.893 0.923 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 14 14.438 1.982 0.157 0.850 1.000 0.769 CB 1.293 14 residues pruned to eliminate duplicates Z: 15 18.526 1.825 0.317 0.906 1.000 0.857 CB 1.464 15 residues pruned to eliminate duplicates Z: 51 43.855 2.334 0.629 0.570 0.880 0.580 CB 1.733 51 residues pruned to eliminate duplicates Z: 9 9.785 1.884 0.253 0.859 1.000 0.875 CB 1.078 9 residues pruned to eliminate duplicates Z: 7 8.484 1.765 0.420 0.595 1.000 0.667 N 1.262 7 residues pruned to eliminate duplicates Z: 14 23.592 2.270 0.523 0.904 1.000 0.769 CB 1.348 14 residues pruned to eliminate duplicates Z: 6 6.211 1.894 0.127 0.577 1.000 0.800 CA 1.209 Z: 14 20.751 2.136 0.610 0.850 0.846 0.538 CA 1.464 14 residues pruned to eliminate duplicates Z: 15 16.088 2.035 0.555 0.910 0.929 0.643 CB 1.038 15 residues pruned to eliminate duplicates Z: 15 28.030 2.326 0.616 0.804 0.929 0.571 CB 1.646 15 residues pruned to eliminate duplicates Z: 15 18.700 2.179 0.774 0.447 0.857 0.571 CA 1.593 15 residues pruned to eliminate duplicates Z: 15 24.972 2.333 0.368 0.815 1.000 0.643 CA 1.591 15 residues pruned to eliminate duplicates Z: 9 11.831 2.065 0.292 0.597 1.000 0.375 CA 1.428 9 residues pruned to eliminate duplicates Z: 20 17.828 2.031 0.127 0.896 0.947 0.684 CB 1.352 20 residues pruned to eliminate duplicates Z: 28 23.269 2.131 0.741 0.446 0.889 0.481 CB 1.436 28 residues pruned to eliminate duplicates Z: 20 21.376 2.161 0.792 0.895 0.737 0.421 CB 1.233 20 residues pruned to eliminate duplicates Z: 13 10.963 2.030 0.175 0.616 0.917 0.750 CB 1.296 13 residues pruned to eliminate duplicates Z: 12 18.942 2.140 0.450 0.901 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 16 29.338 2.175 0.885 0.859 0.933 0.600 CB 1.457 16 residues pruned to eliminate duplicates Z: 58 40.412 2.317 0.345 0.632 0.947 0.667 CB 1.601 58 residues pruned to eliminate duplicates Z: 47 19.002 2.237 0.332 0.384 0.804 0.565 CB 1.322 47 residues pruned to eliminate duplicates Z: 20 9.978 2.031 0.249 0.438 0.895 0.421 CB 1.076 20 residues pruned to eliminate duplicates Z: 67 54.727 2.410 0.580 0.529 0.955 0.621 CB 1.802 74 residues pruned to eliminate duplicates Z: 14 16.056 1.880 0.357 0.865 0.846 0.692 CB 1.512 14 residues pruned to eliminate duplicates Z: 16 25.931 2.246 0.376 0.905 0.933 0.533 CA 1.652 16 residues pruned to eliminate duplicates Z: 15 28.434 2.166 0.743 0.893 1.000 0.929 CB 1.445 15 residues pruned to eliminate duplicates Z: 10 11.639 2.013 0.443 0.694 0.889 0.556 CA 1.258 10 residues pruned to eliminate duplicates Z: 13 23.725 2.370 0.517 0.847 0.833 0.833 CB 1.698 13 residues pruned to eliminate duplicates Z: 27 35.635 2.404 0.677 0.715 0.885 0.500 CB 1.613 27 residues pruned to eliminate duplicates Z: 22 20.152 2.055 0.685 0.579 0.905 0.571 CB 1.301 23 residues pruned to eliminate duplicates Z: 7 18.715 2.147 0.413 0.860 1.000 0.667 O 1.852 7 residues pruned to eliminate duplicates Z: 8 15.392 2.015 1.022 0.884 1.000 0.571 CB 1.032 8 residues pruned to eliminate duplicates Z: 7 7.253 1.869 0.398 0.646 0.667 0.500 CB 1.483 7 residues pruned to eliminate duplicates Z: 12 18.302 2.052 0.614 0.874 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 9 9.548 1.805 0.254 0.789 1.000 0.875 CB 1.157 Z: 14 19.269 1.868 0.537 0.888 1.000 0.538 CB 1.341 14 residues pruned to eliminate duplicates Z: 9 6.182 1.721 0.263 0.440 0.875 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 16 19.782 2.230 0.533 0.765 0.867 0.533 CA 1.363 16 residues pruned to eliminate duplicates Z: 15 14.513 2.018 0.123 0.914 1.000 0.786 CB 1.211 15 residues pruned to eliminate duplicates Z: 8 12.104 2.113 0.203 0.837 0.857 0.571 CB 1.570 8 residues pruned to eliminate duplicates Z: 14 13.213 2.080 0.260 0.596 0.923 0.538 CB 1.382 14 residues pruned to eliminate duplicates Z: 28 27.226 2.131 0.601 0.667 0.889 0.556 CB 1.479 28 residues pruned to eliminate duplicates Z: 13 12.104 2.044 0.479 0.494 0.750 0.333 CB 1.550 17 residues pruned to eliminate duplicates Z: 18 39.923 2.388 0.727 0.948 1.000 0.765 CB 1.622 18 residues pruned to eliminate duplicates Z: 10 10.937 1.865 0.125 0.858 0.889 0.889 CA 1.440 10 residues pruned to eliminate duplicates Z: 11 10.061 1.899 0.171 0.749 1.000 0.700 CA 1.145 11 residues pruned to eliminate duplicates Z: 13 16.805 2.105 0.100 0.854 1.000 0.833 CB 1.548 13 residues pruned to eliminate duplicates Z: 17 22.587 2.118 0.206 0.895 1.000 0.688 CA 1.584 17 residues pruned to eliminate duplicates Z: 15 28.063 2.336 0.444 0.864 1.000 0.857 CB 1.630 15 residues pruned to eliminate duplicates Z: 10 9.264 1.953 0.415 0.863 0.778 0.778 CB 1.054 10 residues pruned to eliminate duplicates Z: 40 38.849 2.343 0.607 0.572 0.923 0.564 CB 1.669 40 residues pruned to eliminate duplicates Z: 17 16.994 2.037 0.257 0.842 0.938 0.938 CB 1.318 17 residues pruned to eliminate duplicates Z: 28 23.102 2.040 0.613 0.661 0.889 0.296 CB 1.309 28 residues pruned to eliminate duplicates Z: 14 23.927 1.931 0.631 0.898 1.000 0.846 CB 1.508 14 residues pruned to eliminate duplicates Z: 13 14.610 1.931 0.589 0.863 0.917 0.750 CB 1.101 13 residues pruned to eliminate duplicates Z: 12 19.273 2.054 0.670 0.878 0.909 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 21 25.622 2.153 0.779 0.533 0.900 0.700 CB 1.608 21 residues pruned to eliminate duplicates Z: 25 33.966 2.310 0.858 0.642 0.875 0.500 CB 1.617 25 residues pruned to eliminate duplicates Z: 13 17.870 2.077 0.195 0.892 1.000 0.917 CB 1.493 14 residues pruned to eliminate duplicates Z: 20 18.003 2.335 0.367 0.444 0.895 0.474 CB 1.532 20 residues pruned to eliminate duplicates Z: 31 18.778 2.156 0.361 0.466 0.900 0.433 CB 1.343 31 residues pruned to eliminate duplicates 6 1.851 1.490 0.114 0.497 0.600 0.600 CB 0.834 ? Z: 136 61.588 2.346 0.440 0.551 0.933 0.541 CB 1.600 136 residues pruned to eliminate duplicates Z: 27 34.173 2.395 0.690 0.705 0.962 0.577 CB 1.429 27 residues pruned to eliminate duplicates Z: 12 17.459 1.973 0.422 0.860 0.909 0.636 CA 1.517 12 residues pruned to eliminate duplicates Z: 13 12.855 1.924 0.216 0.812 0.917 0.833 CB 1.319 12 residues pruned to eliminate duplicates Z: 14 15.491 2.040 0.095 0.928 1.000 1.000 CB 1.347 14 residues pruned to eliminate duplicates Z: 74 36.367 2.210 0.383 0.497 0.877 0.397 CB 1.593 74 residues pruned to eliminate duplicates Z: 8 17.579 1.897 0.474 0.915 1.000 0.857 N 1.679 8 residues pruned to eliminate duplicates Z: 11 10.784 1.998 0.547 0.368 0.900 0.500 CB 1.413 11 residues pruned to eliminate duplicates Z: 12 14.355 2.108 0.500 0.596 0.818 0.636 CB 1.527 19 residues pruned to eliminate duplicates Z: 12 11.957 1.976 0.526 0.378 1.000 0.909 CB 1.363 12 residues pruned to eliminate duplicates Z: 8 8.367 1.534 0.474 0.885 1.000 0.429 CB 1.009 Z: 12 15.992 2.128 0.042 0.901 1.000 0.909 CB 1.552 12 residues pruned to eliminate duplicates Z: 34 26.874 2.089 0.545 0.592 0.970 0.818 CB 1.369 34 residues pruned to eliminate duplicates Z: 41 28.767 2.198 0.467 0.541 0.975 0.600 CB 1.390 41 residues pruned to eliminate duplicates Z: 7 6.881 2.048 -0.096 0.720 0.833 0.667 CB 1.493 7 residues pruned to eliminate duplicates Z: 77 45.566 2.368 0.572 0.508 0.855 0.553 CB 1.629 77 residues pruned to eliminate duplicates Z: 13 10.622 1.958 0.555 0.485 0.667 0.417 CB 1.534 13 residues pruned to eliminate duplicates Z: 15 27.948 2.380 0.385 0.783 0.929 0.500 CB 1.902 15 residues pruned to eliminate duplicates Z: 61 46.279 2.342 0.622 0.525 0.900 0.550 CB 1.705 61 residues pruned to eliminate duplicates Z: 20 32.186 2.250 0.575 0.933 1.000 0.737 CB 1.454 20 residues pruned to eliminate duplicates Z: 19 17.706 2.001 0.275 0.561 0.944 0.611 CA 1.632 19 residues pruned to eliminate duplicates Z: 6 3.686 1.567 0.525 0.392 0.800 0.600 CA 0.967 6 residues pruned to eliminate duplicates Z: 18 22.627 2.078 0.374 0.914 0.941 0.765 CB 1.444 18 residues pruned to eliminate duplicates Z: 84 44.145 2.268 0.334 0.505 0.928 0.627 CB 1.719 20 residues pruned to eliminate duplicates Z: 46 40.842 2.320 0.619 0.534 0.911 0.644 CB 1.722 46 residues pruned to eliminate duplicates Z: 42 43.484 2.408 0.571 0.609 0.951 0.634 CB 1.702 42 residues pruned to eliminate duplicates Z: 15 15.385 1.978 0.242 0.906 1.000 1.000 CB 1.190 15 residues pruned to eliminate duplicates Z: 7 13.295 2.012 0.533 0.823 1.000 0.833 CB 1.330 8 residues pruned to eliminate duplicates Z: 15 17.936 2.235 0.590 0.442 0.857 0.429 CA 1.670 15 residues pruned to eliminate duplicates Z: 15 36.218 2.379 0.882 0.883 0.929 0.786 CA 1.684 15 residues pruned to eliminate duplicates Z: 7 19.000 2.086 0.569 0.880 1.000 0.667 N 1.718 7 residues pruned to eliminate duplicates Z: 6 7.338 1.765 1.162 0.736 1.000 1.000 CB 0.695 Z: 8 18.305 1.990 0.802 0.833 1.000 0.714 CB 1.446 8 residues pruned to eliminate duplicates Z: 12 12.856 1.935 0.116 0.905 1.000 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 10 5.670 1.905 -0.081 0.599 0.889 0.667 CA 1.104 10 residues pruned to eliminate duplicates Z: 15 19.533 1.986 0.648 0.855 1.000 0.714 CB 1.178 15 residues pruned to eliminate duplicates Z: 7 7.004 1.719 0.183 0.827 0.833 0.500 CA 1.271 7 residues pruned to eliminate duplicates Z: 10 12.241 1.751 0.429 0.854 1.000 0.778 CA 1.205 10 residues pruned to eliminate duplicates Z: 31 16.934 2.184 0.370 0.485 0.867 0.533 CB 1.211 31 residues pruned to eliminate duplicates Z: 12 8.037 1.678 0.227 0.529 0.818 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 13 24.568 2.230 0.712 0.922 1.000 0.750 CB 1.306 13 residues pruned to eliminate duplicates Z: 47 33.880 2.251 0.380 0.526 0.935 0.565 CB 1.676 37 residues pruned to eliminate duplicates Z: 8 19.423 1.956 0.904 0.828 1.000 0.429 N 1.484 8 residues pruned to eliminate duplicates Z: 6 7.564 1.698 0.232 0.781 1.000 0.600 CA 1.262 6 residues pruned to eliminate duplicates Z: 31 35.632 2.336 0.500 0.610 0.967 0.667 CB 1.730 31 residues pruned to eliminate duplicates Z: 13 26.137 2.318 0.579 0.870 1.000 0.583 CA 1.505 13 residues pruned to eliminate duplicates Z: 8 9.706 1.702 0.813 0.638 0.857 0.571 CB 1.219 8 residues pruned to eliminate duplicates Z: 10 13.028 1.972 0.413 0.886 0.889 0.889 CB 1.264 10 residues pruned to eliminate duplicates Z: 15 16.190 2.045 0.605 0.921 0.929 0.643 CB 0.999 15 residues pruned to eliminate duplicates Z: 6 6.207 1.693 0.423 0.545 1.000 0.400 CA 1.103 Z: 13 16.833 2.116 0.753 0.918 0.750 0.500 CB 1.231 13 residues pruned to eliminate duplicates Z: 13 15.478 1.993 0.621 0.867 0.833 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 14 23.126 2.307 0.339 0.873 1.000 0.692 CA 1.513 14 residues pruned to eliminate duplicates Z: 14 21.965 1.881 0.766 0.889 0.923 0.462 CB 1.430 14 residues pruned to eliminate duplicates Z: 51 23.807 2.018 0.387 0.489 0.880 0.600 CB 1.383 51 residues pruned to eliminate duplicates Z: 55 51.468 2.395 0.641 0.625 0.981 0.519 CB 1.613 55 residues pruned to eliminate duplicates Z: 13 23.919 2.242 0.705 0.921 1.000 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 15.913 1.925 0.265 0.869 1.000 0.500 CB 1.379 13 residues pruned to eliminate duplicates Z: 33 18.383 2.295 0.343 0.409 0.875 0.562 CB 1.326 33 residues pruned to eliminate duplicates Z: 84 50.251 2.331 0.516 0.540 0.940 0.614 CB 1.597 84 residues pruned to eliminate duplicates Z: 16 7.500 2.120 0.033 0.422 0.800 0.533 CB 1.199 16 residues pruned to eliminate duplicates Z: 47 26.567 1.984 0.547 0.596 0.870 0.565 CB 1.339 47 residues pruned to eliminate duplicates Z: 38 21.585 2.044 0.260 0.585 0.946 0.595 CB 1.343 72 residues pruned to eliminate duplicates Z: 16 9.763 2.091 -0.045 0.492 0.867 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 14 21.096 2.196 0.584 0.884 1.000 0.769 CA 1.215 14 residues pruned to eliminate duplicates Z: 56 47.160 2.331 0.505 0.559 0.964 0.491 CB 1.776 56 residues pruned to eliminate duplicates Z: 11 7.291 1.828 0.323 0.373 0.700 0.700 N 1.559 11 residues pruned to eliminate duplicates Z: 9 11.232 1.899 0.184 0.771 1.000 0.750 CB 1.389 9 residues pruned to eliminate duplicates Z: 7 10.361 2.107 0.382 0.537 1.000 0.667 CA 1.401 7 residues pruned to eliminate duplicates Z: 8 8.219 1.805 0.141 0.825 1.000 0.571 CB 1.139 8 residues pruned to eliminate duplicates Z: 10 4.201 1.657 0.063 0.256 0.778 0.444 CB 1.352 8 residues pruned to eliminate duplicates Z: 21 29.164 2.292 0.224 0.937 1.000 0.900 CB 1.618 21 residues pruned to eliminate duplicates Z: 12 16.808 1.882 0.448 0.816 1.000 0.727 CA 1.414 12 residues pruned to eliminate duplicates Z: 6 6.924 1.870 0.266 0.801 0.800 0.800 CB 1.256 6 residues pruned to eliminate duplicates Z: 22 24.894 2.150 0.649 0.528 0.857 0.571 CA 1.740 22 residues pruned to eliminate duplicates Z: 12 6.122 1.733 0.227 0.376 0.909 0.545 CB 1.090 Z: 14 30.352 2.401 0.706 0.775 0.923 0.692 CB 1.746 14 residues pruned to eliminate duplicates Z: 9 5.689 1.821 0.349 0.398 0.875 0.625 CB 1.043 9 residues pruned to eliminate duplicates Z: 55 53.795 2.390 0.654 0.562 0.963 0.537 CA 1.812 55 residues pruned to eliminate duplicates Z: 8 8.105 2.271 0.248 0.296 0.714 0.571 CB 1.903 8 residues pruned to eliminate duplicates Z: 10 15.686 2.153 0.026 0.892 1.000 1.000 CB 1.702 10 residues pruned to eliminate duplicates Z: 21 28.276 2.264 0.274 0.935 0.950 0.900 CB 1.608 21 residues pruned to eliminate duplicates Z: 8 2.588 1.375 0.146 0.351 0.857 0.571 CB 0.851 Z: 17 29.297 2.259 0.952 0.898 0.875 0.375 CB 1.357 17 residues pruned to eliminate duplicates Z: 6 4.538 1.402 0.236 0.778 1.000 0.800 CB 0.916 6 residues pruned to eliminate duplicates Z: 24 16.217 1.958 0.588 0.581 0.826 0.609 CB 1.218 27 residues pruned to eliminate duplicates Z: 37 23.320 1.977 0.519 0.576 0.917 0.556 CB 1.312 37 residues pruned to eliminate duplicates Z: 18 29.402 2.096 0.484 0.928 1.000 0.706 CB 1.606 Z: 14 10.212 2.111 0.312 0.373 0.923 0.462 CB 1.269 14 residues pruned to eliminate duplicates Z: 27 32.590 2.337 0.604 0.571 0.923 0.500 CA 1.725 27 residues pruned to eliminate duplicates Z: 57 43.443 2.349 0.419 0.554 0.964 0.607 CB 1.714 57 residues pruned to eliminate duplicates Z: 7 5.643 1.898 -0.268 0.687 1.000 0.833 CB 1.396 7 residues pruned to eliminate duplicates Z: 10 11.204 2.016 0.612 0.433 0.778 0.444 CB 1.583 10 residues pruned to eliminate duplicates Z: 17 13.263 2.182 0.310 0.376 0.812 0.562 CB 1.629 17 residues pruned to eliminate duplicates Z: 28 15.957 1.902 0.263 0.633 0.889 0.593 CB 1.269 27 residues pruned to eliminate duplicates Z: 22 15.812 2.195 0.250 0.424 1.000 0.381 CB 1.361 22 residues pruned to eliminate duplicates Z: 38 23.219 2.201 0.436 0.429 0.946 0.541 CB 1.374 38 residues pruned to eliminate duplicates Z: 13 11.534 2.206 0.280 0.573 0.833 0.833 CB 1.320 13 residues pruned to eliminate duplicates Z: 16 14.444 2.054 -0.093 0.907 1.000 1.000 CB 1.423 16 residues pruned to eliminate duplicates Z: 33 40.396 2.384 0.797 0.531 0.938 0.719 CB 1.725 33 residues pruned to eliminate duplicates Z: 21 26.747 2.155 0.638 0.550 0.900 0.650 CB 1.794 21 residues pruned to eliminate duplicates Z: 17 16.615 1.835 0.516 0.752 0.875 0.688 CB 1.363 17 residues pruned to eliminate duplicates Z: 32 25.429 2.100 0.540 0.622 0.935 0.548 CB 1.346 32 residues pruned to eliminate duplicates Z: 13 20.435 1.851 0.644 0.901 0.917 0.500 CB 1.509 13 residues pruned to eliminate duplicates Z: 14 14.202 2.115 -0.044 0.933 1.000 0.923 CB 1.360 14 residues pruned to eliminate duplicates Z: 10 18.576 2.169 0.349 0.835 1.000 0.667 CB 1.585 10 residues pruned to eliminate duplicates Z: 11 13.432 2.023 0.184 0.653 1.000 0.900 CA 1.537 11 residues pruned to eliminate duplicates Z: 52 36.329 2.297 0.472 0.582 0.902 0.451 CB 1.542 52 residues pruned to eliminate duplicates Z: 15 19.056 2.001 0.679 0.545 0.929 0.571 CA 1.562 14 residues pruned to eliminate duplicates Z: 12 18.893 2.099 0.627 0.853 0.909 0.636 CB 1.356 12 residues pruned to eliminate duplicates Z: 6 3.417 1.435 0.296 0.411 0.800 0.400 C 1.128 6 residues pruned to eliminate duplicates Z: 23 23.222 1.980 0.628 0.592 0.909 0.682 CA 1.547 23 residues pruned to eliminate duplicates Z: 6 9.168 1.834 0.520 0.777 1.000 0.600 CB 1.151 6 residues pruned to eliminate duplicates Z: 7 4.229 1.567 0.081 0.657 0.833 0.833 CA 1.057 7 residues pruned to eliminate duplicates Z: 28 28.011 2.240 0.838 0.498 0.815 0.704 CB 1.611 28 residues pruned to eliminate duplicates Z: 11 14.725 1.821 0.874 0.682 0.900 0.700 CB 1.284 11 residues pruned to eliminate duplicates Z: 16 22.411 2.249 0.581 0.896 0.800 0.600 CB 1.457 17 residues pruned to eliminate duplicates Z: 6 2.903 1.421 0.579 0.146 0.800 0.400 CA 1.121 Z: 6 4.306 1.386 0.489 0.508 0.800 0.600 C 1.156 6 residues pruned to eliminate duplicates Z: 14 21.230 1.848 0.644 0.910 0.923 0.231 CB 1.489 14 residues pruned to eliminate duplicates Z: 7 6.272 1.863 0.224 0.503 1.000 0.667 CB 1.120 7 residues pruned to eliminate duplicates Z: 6 3.022 1.344 0.132 0.661 1.000 0.600 C 0.765 Z: 15 10.749 2.098 0.267 0.366 0.857 0.500 CA 1.455 15 residues pruned to eliminate duplicates Z: 6 6.758 1.719 0.400 0.752 1.000 0.400 CB 1.003 6 residues pruned to eliminate duplicates Z: 12 20.269 2.061 0.534 0.897 1.000 0.636 CB 1.383 12 residues pruned to eliminate duplicates Z: 12 10.478 1.875 0.780 0.370 0.909 0.636 CA 1.198 12 residues pruned to eliminate duplicates Z: 64 28.714 2.265 0.224 0.498 0.873 0.556 CB 1.498 64 residues pruned to eliminate duplicates Z: 15 32.915 2.243 0.839 0.908 1.000 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 12 13.614 2.165 0.284 0.563 0.909 0.545 CB 1.528 12 residues pruned to eliminate duplicates Z: 16 22.775 2.281 0.275 0.906 0.933 0.600 CB 1.540 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 10.259 2.073 0.075 0.435 0.882 0.529 CB 1.352 18 residues pruned to eliminate duplicates Z: 17 13.610 2.050 0.279 0.456 1.000 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 16 14.030 2.089 0.379 0.431 0.933 0.600 CB 1.447 16 residues pruned to eliminate duplicates Z: 17 14.060 2.114 0.169 0.439 1.000 0.375 CB 1.516 17 residues pruned to eliminate duplicates Z: 18 12.625 1.984 0.209 0.456 0.941 0.647 CB 1.418 18 residues pruned to eliminate duplicates Z: 16 16.376 2.180 0.314 0.551 0.933 0.800 CB 1.505 16 residues pruned to eliminate duplicates Z: 19 10.978 1.978 0.287 0.443 0.889 0.556 CB 1.212 19 residues pruned to eliminate duplicates Z: 18 12.814 2.055 0.366 0.454 0.882 0.412 CB 1.316 18 residues pruned to eliminate duplicates Z: 13 17.357 1.883 0.620 0.554 1.000 0.417 CA 1.558 13 residues pruned to eliminate duplicates Z: 15 16.679 2.207 0.453 0.503 1.000 0.571 CB 1.386 15 residues pruned to eliminate duplicates Z: 46 23.610 1.974 0.511 0.467 0.911 0.600 CB 1.339 46 residues pruned to eliminate duplicates Z: 19 14.223 1.811 0.159 0.793 1.000 0.833 CB 1.236 19 residues pruned to eliminate duplicates Z: 28 19.118 1.950 0.242 0.664 0.963 0.778 CB 1.355 28 residues pruned to eliminate duplicates Z: 20 14.735 1.824 0.166 0.759 1.000 0.947 CB 1.262 20 residues pruned to eliminate duplicates Z: 18 11.667 1.870 0.024 0.705 1.000 0.765 CB 1.227 18 residues pruned to eliminate duplicates Z: 16 14.242 2.021 0.116 0.778 1.000 0.733 CB 1.275 16 residues pruned to eliminate duplicates Z: 20 12.539 1.862 0.125 0.762 0.947 0.737 CB 1.148 20 residues pruned to eliminate duplicates Z: 14 16.642 2.078 0.221 0.760 1.000 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 20 13.463 1.828 0.104 0.769 0.947 0.842 CB 1.273 22 residues pruned to eliminate duplicates Z: 8 8.139 1.815 0.335 0.700 1.000 0.857 CB 1.058 8 residues pruned to eliminate duplicates Z: 13 7.844 1.755 0.000 0.696 1.000 0.833 CB 1.079 21 residues pruned to eliminate duplicates Z: 15 7.985 1.881 -0.240 0.719 0.929 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 13 13.632 1.991 0.756 0.488 0.750 0.417 CB 1.519 13 residues pruned to eliminate duplicates Z: 13 14.517 2.046 0.504 0.480 0.833 0.417 CB 1.668 13 residues pruned to eliminate duplicates Z: 15 14.451 1.938 0.424 0.425 0.929 0.357 CB 1.630 15 residues pruned to eliminate duplicates Z: 9 10.151 2.058 0.583 0.542 0.625 0.375 N 1.692 9 residues pruned to eliminate duplicates Z: 14 13.232 1.992 0.534 0.445 0.846 0.385 CB 1.501 14 residues pruned to eliminate duplicates Z: 6 15.333 2.139 0.460 0.682 1.000 0.600 N 1.857 7 residues pruned to eliminate duplicates Z: 6 14.638 2.129 0.486 0.708 1.000 0.200 N 1.713 6 residues pruned to eliminate duplicates Z: 13 16.828 2.048 0.709 0.504 0.833 0.333 CB 1.659 15 residues pruned to eliminate duplicates Z: 7 12.281 1.978 0.480 0.666 1.000 0.667 CB 1.469 7 residues pruned to eliminate duplicates Z: 28 21.531 2.127 0.351 0.621 0.889 0.444 CB 1.448 30 residues pruned to eliminate duplicates Z: 17 29.231 2.195 0.491 0.907 1.000 0.562 CB 1.587 17 residues pruned to eliminate duplicates Z: 28 24.507 2.145 0.521 0.632 0.889 0.556 CB 1.437 27 residues pruned to eliminate duplicates Z: 17 33.128 2.199 0.774 0.920 1.000 0.438 CB 1.496 17 residues pruned to eliminate duplicates Z: 18 31.728 2.132 0.791 0.879 0.941 0.412 CB 1.553 18 residues pruned to eliminate duplicates Z: 16 29.740 2.284 0.609 0.909 0.867 0.400 CA 1.711 17 residues pruned to eliminate duplicates Z: 17 31.388 2.213 0.791 0.917 0.875 0.438 CB 1.597 16 residues pruned to eliminate duplicates Z: 17 32.418 2.212 0.833 0.914 0.938 0.438 CB 1.509 17 residues pruned to eliminate duplicates Z: 25 22.216 2.106 0.576 0.583 0.833 0.500 CB 1.513 25 residues pruned to eliminate duplicates Z: 28 22.889 2.112 0.432 0.625 0.926 0.556 CB 1.398 28 residues pruned to eliminate duplicates Z: 28 19.819 2.104 0.449 0.633 0.778 0.519 CB 1.420 28 residues pruned to eliminate duplicates Z: 19 29.313 2.108 0.801 0.797 0.889 0.556 CB 1.580 19 residues pruned to eliminate duplicates Z: 32 21.657 2.051 0.530 0.565 0.903 0.516 CB 1.288 32 residues pruned to eliminate duplicates Z: 18 27.181 2.064 0.848 0.881 0.882 0.471 CB 1.418 18 residues pruned to eliminate duplicates Z: 28 25.968 2.132 0.665 0.627 0.889 0.593 CB 1.406 28 residues pruned to eliminate duplicates Z: 28 26.580 2.119 0.458 0.674 0.963 0.667 CB 1.464 28 residues pruned to eliminate duplicates Z: 6 5.140 1.707 0.314 0.467 0.800 0.600 CB 1.325 6 residues pruned to eliminate duplicates Z: 12 9.602 1.901 0.574 0.361 0.909 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 18 20.008 2.028 0.597 0.706 0.882 0.471 CB 1.408 18 residues pruned to eliminate duplicates Z: 17 21.237 2.058 0.535 0.707 0.938 0.625 CB 1.485 18 residues pruned to eliminate duplicates Z: 17 15.984 2.045 0.404 0.630 0.812 0.438 CB 1.517 17 residues pruned to eliminate duplicates Z: 16 18.539 2.145 0.410 0.683 0.933 0.533 CB 1.433 16 residues pruned to eliminate duplicates Z: 19 19.478 1.953 0.473 0.661 0.944 0.500 CB 1.455 19 residues pruned to eliminate duplicates Z: 19 20.277 1.964 0.618 0.723 0.889 0.667 CB 1.384 18 residues pruned to eliminate duplicates Z: 17 14.792 2.026 0.402 0.644 0.812 0.438 CB 1.400 17 residues pruned to eliminate duplicates Z: 18 21.626 2.064 0.482 0.708 1.000 0.647 CB 1.419 18 residues pruned to eliminate duplicates Z: 16 15.170 2.087 0.498 0.639 0.733 0.467 CB 1.500 16 residues pruned to eliminate duplicates Z: 18 18.581 2.018 0.640 0.638 0.824 0.471 CB 1.452 18 residues pruned to eliminate duplicates Z: 20 17.340 1.922 0.690 0.630 0.842 0.474 CB 1.288 20 residues pruned to eliminate duplicates Z: 20 17.297 1.914 0.586 0.676 0.842 0.474 CB 1.320 20 residues pruned to eliminate duplicates Z: 19 16.672 1.946 0.521 0.647 0.889 0.278 CB 1.302 19 residues pruned to eliminate duplicates Z: 13 7.779 1.827 0.112 0.523 0.917 0.750 CA 1.179 13 residues pruned to eliminate duplicates Z: 16 21.263 1.859 0.599 0.787 1.000 0.733 CB 1.435 16 residues pruned to eliminate duplicates Z: 17 16.099 1.808 0.390 0.761 0.938 0.750 CB 1.355 16 residues pruned to eliminate duplicates Z: 16 19.271 1.846 0.508 0.859 0.933 0.733 CB 1.409 16 residues pruned to eliminate duplicates Z: 17 17.691 1.862 0.595 0.762 0.938 0.562 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 19.176 1.787 0.875 0.673 0.941 0.412 CB 1.257 18 residues pruned to eliminate duplicates Z: 15 19.529 1.864 0.593 0.809 1.000 0.286 CB 1.342 15 residues pruned to eliminate duplicates Z: 16 18.137 1.876 0.706 0.783 0.867 0.333 CB 1.316 16 residues pruned to eliminate duplicates Z: 16 19.856 1.854 0.746 0.809 0.933 0.333 CB 1.295 16 residues pruned to eliminate duplicates Z: 17 17.233 1.867 0.724 0.697 0.875 0.438 CB 1.278 17 residues pruned to eliminate duplicates Z: 17 16.905 1.879 0.735 0.702 0.875 0.438 CB 1.233 17 residues pruned to eliminate duplicates Z: 12 10.439 1.734 0.786 0.580 0.727 0.364 CB 1.294 12 residues pruned to eliminate duplicates Z: 16 19.690 1.850 0.763 0.839 0.933 0.267 CB 1.247 15 residues pruned to eliminate duplicates Z: 6 3.982 1.524 0.674 0.458 1.000 0.800 CA 0.728 6 residues pruned to eliminate duplicates Z: 12 16.837 2.283 0.361 0.617 0.818 0.636 CA 1.788 13 residues pruned to eliminate duplicates Z: 8 9.559 1.637 0.755 0.522 1.000 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 17 21.893 2.430 0.350 0.582 0.938 0.625 CB 1.645 17 residues pruned to eliminate duplicates Z: 26 25.605 2.300 0.520 0.468 0.880 0.600 CB 1.719 26 residues pruned to eliminate duplicates Z: 27 25.513 2.180 0.482 0.483 0.923 0.577 CA 1.708 27 residues pruned to eliminate duplicates Z: 43 42.403 2.395 0.505 0.569 0.929 0.643 CB 1.829 43 residues pruned to eliminate duplicates Z: 45 46.460 2.441 0.470 0.590 0.977 0.614 CB 1.833 45 residues pruned to eliminate duplicates Z: 65 50.848 2.383 0.441 0.580 0.969 0.656 CB 1.769 65 residues pruned to eliminate duplicates Z: 58 45.841 2.379 0.560 0.572 0.895 0.649 CB 1.706 58 residues pruned to eliminate duplicates Z: 97 51.931 2.353 0.477 0.543 0.906 0.625 CB 1.613 97 residues pruned to eliminate duplicates Z: 50 44.445 2.386 0.513 0.590 0.939 0.653 CB 1.718 50 residues pruned to eliminate duplicates Z: 24 28.805 2.357 0.649 0.510 0.870 0.696 CB 1.760 24 residues pruned to eliminate duplicates Z: 79 48.308 2.382 0.455 0.522 0.923 0.526 CB 1.673 79 residues pruned to eliminate duplicates Z: 26 29.866 2.294 0.655 0.484 0.960 0.600 CA 1.665 26 residues pruned to eliminate duplicates Z: 43 42.287 2.419 0.500 0.576 0.952 0.667 CB 1.755 43 residues pruned to eliminate duplicates Z: 50 46.613 2.374 0.496 0.611 0.959 0.612 CB 1.760 50 residues pruned to eliminate duplicates Z: 77 43.518 2.343 0.504 0.511 0.895 0.632 CB 1.566 77 residues pruned to eliminate duplicates Z: 40 47.654 2.450 0.651 0.599 0.949 0.641 CB 1.809 40 residues pruned to eliminate duplicates Z: 51 43.797 2.388 0.534 0.563 0.920 0.600 CB 1.730 51 residues pruned to eliminate duplicates Z: 60 52.815 2.416 0.654 0.570 0.966 0.610 CB 1.665 60 residues pruned to eliminate duplicates Z: 23 33.253 2.319 0.909 0.547 0.955 0.682 CB 1.603 23 residues pruned to eliminate duplicates Z: 75 43.565 2.375 0.483 0.515 0.905 0.581 CB 1.563 75 residues pruned to eliminate duplicates Z: 23 29.386 2.311 0.817 0.499 0.909 0.591 CB 1.642 23 residues pruned to eliminate duplicates Z: 96 50.981 2.327 0.449 0.516 0.947 0.579 CB 1.611 96 residues pruned to eliminate duplicates Z: 51 56.316 2.393 0.756 0.591 0.960 0.560 CB 1.810 51 residues pruned to eliminate duplicates Z: 146 62.289 2.339 0.420 0.565 0.910 0.628 CB 1.607 146 residues pruned to eliminate duplicates Z: 51 45.362 2.388 0.636 0.564 0.900 0.600 CB 1.715 51 residues pruned to eliminate duplicates Z: 77 47.595 2.373 0.568 0.530 0.921 0.566 CB 1.547 77 residues pruned to eliminate duplicates Z: 70 44.399 2.319 0.534 0.519 0.913 0.580 CB 1.615 69 residues pruned to eliminate duplicates Z: 8 9.377 1.811 0.670 0.597 1.000 0.857 CA 1.068 8 residues pruned to eliminate duplicates Z: 58 49.507 2.396 0.677 0.555 0.912 0.509 CB 1.696 58 residues pruned to eliminate duplicates Z: 17 26.480 2.376 0.248 0.769 1.000 0.688 CA 1.759 17 residues pruned to eliminate duplicates Z: 73 47.892 2.388 0.478 0.542 0.944 0.653 CB 1.624 53 residues pruned to eliminate duplicates Z: 17 30.166 2.363 0.703 0.800 0.938 0.500 CB 1.538 17 residues pruned to eliminate duplicates Z: 83 51.699 2.364 0.544 0.530 0.927 0.537 CB 1.638 83 residues pruned to eliminate duplicates Z: 59 53.550 2.434 0.717 0.565 0.931 0.603 CB 1.697 59 residues pruned to eliminate duplicates Z: 66 54.604 2.384 0.601 0.556 0.969 0.554 CB 1.734 66 residues pruned to eliminate duplicates Z: 50 52.375 2.418 0.716 0.595 0.918 0.653 CB 1.794 50 residues pruned to eliminate duplicates Z: 73 45.842 2.375 0.482 0.530 0.931 0.528 CB 1.601 73 residues pruned to eliminate duplicates Z: 57 49.095 2.430 0.596 0.574 0.911 0.571 CB 1.729 57 residues pruned to eliminate duplicates Z: 84 48.002 2.382 0.448 0.533 0.916 0.627 CB 1.615 84 residues pruned to eliminate duplicates Z: 56 43.608 2.418 0.517 0.552 0.909 0.636 CB 1.676 56 residues pruned to eliminate duplicates Z: 90 49.647 2.343 0.533 0.506 0.910 0.573 CB 1.600 76 residues pruned to eliminate duplicates Z: 15 29.069 2.389 0.425 0.757 0.929 0.643 CA 1.956 15 residues pruned to eliminate duplicates Z: 56 48.392 2.398 0.672 0.553 0.891 0.618 CB 1.735 56 residues pruned to eliminate duplicates Z: 62 52.572 2.456 0.615 0.561 0.934 0.639 CB 1.712 62 residues pruned to eliminate duplicates Z: 61 41.184 2.333 0.438 0.555 0.917 0.600 CB 1.639 61 residues pruned to eliminate duplicates Z: 42 18.995 2.276 0.221 0.405 0.854 0.488 CB 1.383 42 residues pruned to eliminate duplicates Z: 83 54.613 2.378 0.544 0.545 0.963 0.622 CB 1.632 83 residues pruned to eliminate duplicates Z: 54 53.837 2.405 0.778 0.558 0.943 0.660 CB 1.733 54 residues pruned to eliminate duplicates Z: 31 21.654 2.317 0.400 0.451 0.967 0.500 CB 1.325 31 residues pruned to eliminate duplicates Z: 107 49.867 2.277 0.510 0.487 0.906 0.604 CB 1.577 107 residues pruned to eliminate duplicates Z: 13 18.027 2.290 0.490 0.507 1.000 0.500 CB 1.514 13 residues pruned to eliminate duplicates Z: 14 20.399 2.441 0.875 0.452 0.923 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 12 14.008 2.187 0.691 0.382 0.818 0.636 CA 1.582 12 residues pruned to eliminate duplicates Z: 11 17.502 2.466 0.374 0.545 1.000 0.800 CB 1.563 11 residues pruned to eliminate duplicates Z: 85 53.179 2.322 0.586 0.513 0.976 0.548 CB 1.593 85 residues pruned to eliminate duplicates Z: 31 17.107 2.267 0.348 0.404 0.900 0.533 CB 1.257 31 residues pruned to eliminate duplicates Z: 88 54.993 2.361 0.579 0.516 0.943 0.632 CB 1.651 88 residues pruned to eliminate duplicates Z: 22 16.118 2.260 0.387 0.394 0.952 0.429 CB 1.318 22 residues pruned to eliminate duplicates Z: 84 56.381 2.392 0.601 0.510 0.952 0.578 CB 1.681 86 residues pruned to eliminate duplicates Z: 6 5.135 1.785 0.147 0.415 1.000 0.400 CB 1.226 6 residues pruned to eliminate duplicates Z: 34 18.885 2.242 0.360 0.412 0.909 0.394 CB 1.301 34 residues pruned to eliminate duplicates Z: 86 50.170 2.318 0.622 0.510 0.929 0.588 CB 1.541 86 residues pruned to eliminate duplicates Z: 18 13.109 2.199 0.155 0.422 1.000 0.471 CB 1.357 18 residues pruned to eliminate duplicates Z: 31 21.969 2.275 0.428 0.433 1.000 0.600 CB 1.323 31 residues pruned to eliminate duplicates Z: 48 20.430 2.200 0.232 0.371 0.915 0.468 CB 1.380 48 residues pruned to eliminate duplicates Z: 32 23.657 2.307 0.510 0.464 0.968 0.581 CB 1.307 32 residues pruned to eliminate duplicates Z: 21 13.551 2.195 0.166 0.438 0.950 0.400 CB 1.329 21 residues pruned to eliminate duplicates Z: 81 47.162 2.317 0.540 0.503 0.925 0.525 CB 1.593 81 residues pruned to eliminate duplicates Z: 35 17.868 2.179 0.336 0.386 0.853 0.500 CB 1.393 35 residues pruned to eliminate duplicates Z: 43 21.049 2.294 0.249 0.402 0.857 0.524 CB 1.466 43 residues pruned to eliminate duplicates Z: 88 42.039 2.352 0.378 0.519 0.897 0.563 CB 1.521 43 residues pruned to eliminate duplicates Z: 6 11.354 2.215 0.768 0.479 1.000 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 52 29.270 2.315 0.257 0.511 0.882 0.608 CB 1.580 52 residues pruned to eliminate duplicates Z: 47 21.879 2.214 0.306 0.444 0.826 0.500 CB 1.430 47 residues pruned to eliminate duplicates Z: 99 52.040 2.350 0.520 0.497 0.908 0.571 CB 1.625 99 residues pruned to eliminate duplicates Z: 146 61.345 2.339 0.455 0.523 0.917 0.607 CB 1.595 133 residues pruned to eliminate duplicates Z: 6 4.400 1.852 0.423 0.234 0.800 0.600 CB 1.271 6 residues pruned to eliminate duplicates Z: 149 61.810 2.340 0.425 0.525 0.912 0.588 CB 1.629 149 residues pruned to eliminate duplicates Z: 33 16.824 2.236 0.226 0.398 0.844 0.406 CB 1.431 33 residues pruned to eliminate duplicates Z: 47 23.004 2.277 0.278 0.436 0.848 0.522 CB 1.469 47 residues pruned to eliminate duplicates Z: 22 15.579 2.137 0.191 0.436 0.905 0.476 CB 1.577 22 residues pruned to eliminate duplicates Z: 88 44.956 2.332 0.474 0.464 0.931 0.517 CB 1.562 88 residues pruned to eliminate duplicates Z: 103 46.376 2.329 0.452 0.512 0.892 0.539 CB 1.504 103 residues pruned to eliminate duplicates Z: 69 36.395 2.327 0.381 0.477 0.897 0.544 CB 1.567 69 residues pruned to eliminate duplicates Z: 45 26.205 2.292 0.357 0.422 0.932 0.523 CB 1.479 45 residues pruned to eliminate duplicates Z: 32 19.575 2.220 0.365 0.436 0.871 0.484 CB 1.422 32 residues pruned to eliminate duplicates Z: 22 19.687 2.208 0.406 0.511 0.857 0.476 CB 1.596 22 residues pruned to eliminate duplicates Z: 89 50.654 2.380 0.460 0.516 0.943 0.580 CB 1.622 89 residues pruned to eliminate duplicates Z: 61 35.406 2.307 0.342 0.547 0.900 0.600 CB 1.568 61 residues pruned to eliminate duplicates Z: 58 30.280 2.254 0.344 0.545 0.842 0.596 CB 1.505 58 residues pruned to eliminate duplicates Z: 28 29.643 2.383 0.494 0.628 0.889 0.630 CB 1.598 28 residues pruned to eliminate duplicates Z: 33 25.198 2.229 0.428 0.555 0.844 0.594 CB 1.572 33 residues pruned to eliminate duplicates Z: 39 32.618 2.333 0.404 0.637 0.842 0.605 CB 1.687 39 residues pruned to eliminate duplicates Z: 71 34.364 2.337 0.301 0.483 0.871 0.514 CB 1.576 71 residues pruned to eliminate duplicates Z: 64 39.934 2.329 0.362 0.607 0.937 0.683 CB 1.529 64 residues pruned to eliminate duplicates Z: 58 43.901 2.349 0.539 0.602 0.912 0.526 CB 1.599 58 residues pruned to eliminate duplicates Z: 79 40.145 2.313 0.328 0.592 0.885 0.551 CB 1.533 79 residues pruned to eliminate duplicates Z: 73 43.268 2.316 0.426 0.565 0.931 0.639 CB 1.559 55 residues pruned to eliminate duplicates Z: 19 37.800 2.260 0.771 0.943 0.944 0.389 CB 1.634 19 residues pruned to eliminate duplicates Z: 68 45.943 2.398 0.537 0.574 0.896 0.537 CB 1.584 68 residues pruned to eliminate duplicates Z: 25 33.966 2.432 0.693 0.685 0.917 0.625 CB 1.551 25 residues pruned to eliminate duplicates Z: 32 28.400 2.230 0.572 0.597 0.935 0.516 CB 1.417 32 residues pruned to eliminate duplicates Z: 28 32.352 2.411 0.509 0.648 0.926 0.407 CB 1.610 28 residues pruned to eliminate duplicates Z: 27 32.472 2.399 0.716 0.664 0.885 0.385 CB 1.503 27 residues pruned to eliminate duplicates Z: 29 31.574 2.334 0.536 0.653 0.964 0.357 CB 1.497 29 residues pruned to eliminate duplicates Z: 68 44.718 2.352 0.548 0.546 0.896 0.552 CB 1.601 68 residues pruned to eliminate duplicates Z: 29 33.822 2.370 0.572 0.658 0.929 0.607 CB 1.596 29 residues pruned to eliminate duplicates Z: 56 46.499 2.396 0.553 0.619 0.909 0.564 CB 1.655 56 residues pruned to eliminate duplicates Z: 45 41.337 2.384 0.525 0.699 0.909 0.568 CB 1.572 45 residues pruned to eliminate duplicates Z: 30 31.987 2.422 0.542 0.591 0.862 0.517 CB 1.691 30 residues pruned to eliminate duplicates Z: 28 34.093 2.420 0.672 0.652 0.926 0.481 CB 1.520 28 residues pruned to eliminate duplicates Z: 38 39.546 2.390 0.737 0.592 0.919 0.378 CB 1.560 38 residues pruned to eliminate duplicates Z: 53 40.768 2.302 0.537 0.607 0.962 0.500 CB 1.502 53 residues pruned to eliminate duplicates Z: 54 45.909 2.389 0.552 0.650 0.906 0.585 CB 1.633 54 residues pruned to eliminate duplicates Z: 56 44.729 2.384 0.526 0.623 0.927 0.491 CB 1.592 56 residues pruned to eliminate duplicates Z: 58 44.877 2.321 0.568 0.606 0.965 0.526 CB 1.531 58 residues pruned to eliminate duplicates Z: 48 47.352 2.385 0.683 0.656 0.957 0.574 CB 1.555 48 residues pruned to eliminate duplicates Z: 59 46.770 2.369 0.521 0.599 0.948 0.569 CB 1.636 59 residues pruned to eliminate duplicates Z: 59 43.457 2.291 0.579 0.592 0.948 0.586 CB 1.524 59 residues pruned to eliminate duplicates Z: 57 45.062 2.352 0.522 0.625 0.929 0.536 CB 1.610 57 residues pruned to eliminate duplicates Z: 56 47.784 2.402 0.555 0.636 0.945 0.564 CB 1.606 56 residues pruned to eliminate duplicates Z: 57 41.943 2.357 0.503 0.610 0.911 0.571 CB 1.565 57 residues pruned to eliminate duplicates Z: 67 40.655 2.339 0.494 0.569 0.864 0.530 CB 1.551 67 residues pruned to eliminate duplicates Z: 21 22.702 2.162 0.464 0.649 0.900 0.400 CB 1.550 21 residues pruned to eliminate duplicates Z: 63 40.941 2.335 0.478 0.589 0.887 0.500 CB 1.560 63 residues pruned to eliminate duplicates Z: 61 41.042 2.271 0.588 0.550 0.933 0.500 CB 1.500 61 residues pruned to eliminate duplicates Z: 19 15.679 2.136 0.225 0.649 0.889 0.778 CB 1.382 19 residues pruned to eliminate duplicates Z: 56 39.558 2.284 0.420 0.623 0.945 0.618 CB 1.549 56 residues pruned to eliminate duplicates Z: 53 45.277 2.383 0.539 0.655 0.904 0.558 CB 1.640 53 residues pruned to eliminate duplicates Z: 56 47.901 2.389 0.550 0.616 0.964 0.618 CB 1.621 56 residues pruned to eliminate duplicates Z: 104 44.059 2.314 0.400 0.508 0.864 0.524 CB 1.539 104 residues pruned to eliminate duplicates Z: 54 43.898 2.377 0.549 0.626 0.925 0.509 CB 1.572 54 residues pruned to eliminate duplicates Z: 58 40.143 2.321 0.510 0.588 0.895 0.474 CB 1.559 58 residues pruned to eliminate duplicates Z: 52 37.234 2.294 0.391 0.611 0.941 0.510 CB 1.561 52 residues pruned to eliminate duplicates Z: 54 46.873 2.398 0.504 0.658 0.962 0.585 CB 1.602 54 residues pruned to eliminate duplicates Z: 68 46.709 2.376 0.575 0.567 0.925 0.567 CB 1.545 73 residues pruned to eliminate duplicates Z: 17 23.127 2.188 0.555 0.766 1.000 0.688 CB 1.342 17 residues pruned to eliminate duplicates Z: 57 49.709 2.368 0.645 0.628 0.964 0.607 CB 1.568 57 residues pruned to eliminate duplicates Z: 68 44.318 2.368 0.557 0.574 0.866 0.522 CB 1.579 68 residues pruned to eliminate duplicates Z: 39 32.153 2.295 0.396 0.571 0.947 0.553 CB 1.604 39 residues pruned to eliminate duplicates Z: 103 48.743 2.326 0.517 0.532 0.902 0.520 CB 1.470 103 residues pruned to eliminate duplicates Z: 61 43.776 2.298 0.611 0.570 0.917 0.500 CB 1.556 61 residues pruned to eliminate duplicates Z: 68 46.591 2.372 0.647 0.561 0.881 0.493 CB 1.559 68 residues pruned to eliminate duplicates Z: 7 7.900 2.044 0.177 0.522 0.833 0.500 CB 1.575 7 residues pruned to eliminate duplicates Z: 11 11.727 2.351 0.368 0.453 0.800 0.700 CB 1.513 11 residues pruned to eliminate duplicates Z: 7 7.415 1.879 0.434 0.464 0.833 0.500 CB 1.400 7 residues pruned to eliminate duplicates Z: 15 16.167 2.161 0.493 0.540 0.929 0.714 CB 1.386 15 residues pruned to eliminate duplicates Z: 20 11.982 1.932 0.298 0.454 0.947 0.632 CB 1.213 13 residues pruned to eliminate duplicates Z: 10 13.536 2.159 0.314 0.633 0.889 0.667 CB 1.579 10 residues pruned to eliminate duplicates Z: 13 15.620 2.268 0.417 0.519 0.917 0.833 CB 1.502 13 residues pruned to eliminate duplicates Z: 20 14.077 1.983 0.451 0.464 0.947 0.526 CB 1.228 22 residues pruned to eliminate duplicates Z: 6 5.050 2.065 0.578 0.432 0.600 0.600 CB 1.239 6 residues pruned to eliminate duplicates Z: 13 15.259 2.234 0.409 0.560 0.917 0.917 CB 1.440 13 residues pruned to eliminate duplicates Z: 15 14.461 2.125 0.324 0.574 0.929 0.429 CB 1.377 15 residues pruned to eliminate duplicates Z: 14 13.857 2.122 0.422 0.541 0.846 0.615 CB 1.447 14 residues pruned to eliminate duplicates Z: 35 27.273 2.142 0.482 0.488 0.941 0.647 CB 1.584 56 residues pruned to eliminate duplicates Z: 7 6.702 1.860 0.478 0.301 0.833 0.167 CA 1.491 7 residues pruned to eliminate duplicates Z: 50 32.465 2.088 0.579 0.585 0.939 0.612 CB 1.381 50 residues pruned to eliminate duplicates Z: 22 27.306 2.194 0.714 0.495 0.905 0.524 CB 1.760 22 residues pruned to eliminate duplicates Z: 36 27.917 2.109 0.530 0.587 0.971 0.571 CB 1.385 36 residues pruned to eliminate duplicates Z: 24 20.918 2.141 0.554 0.459 0.870 0.609 CB 1.571 24 residues pruned to eliminate duplicates Z: 34 31.681 2.170 0.634 0.599 0.970 0.697 CB 1.459 34 residues pruned to eliminate duplicates Z: 36 23.431 2.047 0.521 0.539 0.886 0.629 CB 1.383 36 residues pruned to eliminate duplicates Z: 20 24.502 2.208 0.635 0.488 0.947 0.632 CB 1.665 20 residues pruned to eliminate duplicates Z: 50 30.020 2.075 0.506 0.551 0.898 0.612 CB 1.454 50 residues pruned to eliminate duplicates Z: 35 27.661 2.087 0.525 0.554 0.941 0.529 CB 1.502 35 residues pruned to eliminate duplicates Z: 35 26.899 2.108 0.468 0.587 0.941 0.618 CB 1.457 35 residues pruned to eliminate duplicates Z: 34 25.885 2.124 0.505 0.577 0.939 0.576 CB 1.393 34 residues pruned to eliminate duplicates Z: 20 20.119 1.870 0.819 0.529 1.000 0.368 CB 1.318 20 residues pruned to eliminate duplicates Z: 25 18.012 1.934 0.431 0.593 0.875 0.625 CB 1.388 25 residues pruned to eliminate duplicates Z: 14 19.067 2.017 0.579 0.578 0.923 0.692 CB 1.669 14 residues pruned to eliminate duplicates Z: 23 23.251 2.147 0.634 0.470 0.909 0.500 CA 1.603 23 residues pruned to eliminate duplicates Z: 35 27.535 2.112 0.492 0.583 0.941 0.647 CB 1.470 35 residues pruned to eliminate duplicates Z: 51 28.927 2.082 0.446 0.567 0.900 0.560 CB 1.414 51 residues pruned to eliminate duplicates Z: 11 20.709 2.092 0.676 0.886 1.000 0.900 CB 1.347 11 residues pruned to eliminate duplicates Z: 12 15.091 2.061 0.367 0.903 1.000 0.818 CB 1.151 12 residues pruned to eliminate duplicates Z: 15 12.858 1.912 0.485 0.775 0.929 0.643 CB 1.022 15 residues pruned to eliminate duplicates Z: 13 11.160 1.973 0.238 0.855 0.917 0.833 CB 1.061 13 residues pruned to eliminate duplicates Z: 15 14.942 1.975 0.591 0.705 0.929 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 13 18.203 2.053 0.595 0.814 1.000 0.750 CB 1.222 13 residues pruned to eliminate duplicates Z: 35 22.803 2.079 0.486 0.569 0.882 0.559 CB 1.341 35 residues pruned to eliminate duplicates Z: 28 25.698 2.149 0.777 0.590 0.852 0.556 CB 1.394 28 residues pruned to eliminate duplicates Z: 31 32.290 2.198 0.681 0.662 0.933 0.600 CB 1.471 34 residues pruned to eliminate duplicates Z: 8 8.869 2.078 -0.045 0.909 1.000 1.000 CB 1.198 8 residues pruned to eliminate duplicates Z: 21 21.717 2.174 0.586 0.621 0.850 0.600 CB 1.478 21 residues pruned to eliminate duplicates Z: 38 25.387 2.068 0.551 0.522 0.919 0.568 CB 1.385 38 residues pruned to eliminate duplicates Z: 32 27.126 2.152 0.583 0.637 0.839 0.613 CB 1.499 32 residues pruned to eliminate duplicates Z: 21 24.889 2.133 0.722 0.607 0.950 0.450 CB 1.441 21 residues pruned to eliminate duplicates Z: 34 25.557 2.126 0.508 0.593 0.879 0.606 CB 1.445 34 residues pruned to eliminate duplicates Z: 21 23.475 2.173 0.519 0.611 0.950 0.600 CB 1.507 20 residues pruned to eliminate duplicates Z: 11 14.380 1.943 0.534 0.697 1.000 0.600 CB 1.275 11 residues pruned to eliminate duplicates Z: 23 24.679 2.065 0.778 0.560 0.955 0.500 CB 1.417 21 residues pruned to eliminate duplicates Z: 6 8.023 1.839 0.566 0.354 1.000 0.800 CA 1.458 6 residues pruned to eliminate duplicates Z: 21 23.454 2.109 0.750 0.576 0.900 0.650 CB 1.467 21 residues pruned to eliminate duplicates Z: 35 23.393 2.034 0.611 0.562 0.882 0.588 CB 1.306 35 residues pruned to eliminate duplicates Z: 33 27.753 2.125 0.644 0.607 0.906 0.625 CB 1.400 33 residues pruned to eliminate duplicates Z: 34 25.077 2.118 0.542 0.569 0.909 0.515 CB 1.375 34 residues pruned to eliminate duplicates Z: 32 23.520 2.125 0.427 0.605 0.935 0.742 CB 1.348 32 residues pruned to eliminate duplicates Z: 36 27.498 2.021 0.649 0.601 0.914 0.571 CB 1.385 36 residues pruned to eliminate duplicates Z: 14 18.529 2.189 0.793 0.460 0.846 0.538 CB 1.612 14 residues pruned to eliminate duplicates Z: 20 22.304 2.170 0.533 0.604 0.947 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 21 21.705 2.159 0.652 0.573 0.900 0.650 CB 1.409 21 residues pruned to eliminate duplicates Z: 28 19.485 2.022 0.214 0.677 1.000 0.593 CB 1.297 28 residues pruned to eliminate duplicates Z: 28 17.659 1.972 0.104 0.716 0.963 0.778 CB 1.334 28 residues pruned to eliminate duplicates Z: 28 18.485 2.015 0.242 0.643 1.000 0.519 CB 1.243 28 residues pruned to eliminate duplicates Z: 29 18.916 1.998 0.232 0.646 0.964 0.643 CB 1.314 29 residues pruned to eliminate duplicates Z: 73 38.834 2.181 0.435 0.563 0.875 0.639 CB 1.572 73 residues pruned to eliminate duplicates Z: 28 20.384 1.990 0.286 0.685 0.963 0.630 CB 1.343 28 residues pruned to eliminate duplicates Z: 27 20.931 2.089 0.284 0.674 1.000 0.615 CB 1.304 27 residues pruned to eliminate duplicates Z: 29 19.480 2.015 0.247 0.656 0.964 0.750 CB 1.315 29 residues pruned to eliminate duplicates Z: 82 52.598 2.233 0.617 0.575 0.951 0.568 CB 1.584 82 residues pruned to eliminate duplicates Z: 29 21.287 2.036 0.450 0.631 0.929 0.536 CB 1.298 29 residues pruned to eliminate duplicates Z: 22 19.629 2.058 0.529 0.702 0.857 0.476 CB 1.321 22 residues pruned to eliminate duplicates Z: 20 25.692 2.136 0.525 0.735 0.947 0.474 CB 1.547 20 residues pruned to eliminate duplicates Z: 28 21.605 2.040 0.433 0.684 0.963 0.630 CB 1.248 28 residues pruned to eliminate duplicates Z: 22 23.095 2.066 0.471 0.762 0.952 0.619 CB 1.379 22 residues pruned to eliminate duplicates Z: 58 33.154 2.007 0.715 0.614 0.912 0.421 CB 1.255 86 residues pruned to eliminate duplicates Z: 28 24.407 2.034 0.580 0.658 1.000 0.519 CB 1.263 28 residues pruned to eliminate duplicates Z: 21 23.039 2.106 0.533 0.757 0.900 0.550 CB 1.411 21 residues pruned to eliminate duplicates Z: 20 24.884 2.042 0.811 0.653 0.947 0.474 CB 1.414 20 residues pruned to eliminate duplicates Z: 28 21.921 2.024 0.541 0.678 0.926 0.481 CB 1.240 28 residues pruned to eliminate duplicates Z: 26 21.469 2.081 0.481 0.661 0.960 0.640 CB 1.250 26 residues pruned to eliminate duplicates Z: 21 25.676 2.111 0.666 0.684 0.950 0.600 CB 1.451 21 residues pruned to eliminate duplicates Z: 7 6.496 1.979 0.197 0.392 1.000 0.500 CA 1.255 7 residues pruned to eliminate duplicates Z: 27 21.683 2.106 0.497 0.627 0.923 0.462 CB 1.296 27 residues pruned to eliminate duplicates Z: 29 21.671 2.026 0.579 0.620 0.964 0.357 CB 1.185 29 residues pruned to eliminate duplicates Z: 51 29.432 2.174 0.338 0.466 0.900 0.600 CB 1.646 51 residues pruned to eliminate duplicates Z: 41 24.733 2.034 0.295 0.661 0.925 0.575 CB 1.383 41 residues pruned to eliminate duplicates Z: 30 18.344 2.061 0.374 0.416 0.828 0.448 CB 1.588 30 residues pruned to eliminate duplicates Z: 51 25.855 2.018 0.369 0.528 0.940 0.480 CB 1.370 51 residues pruned to eliminate duplicates Z: 83 47.358 2.272 0.442 0.506 0.927 0.573 CB 1.712 70 residues pruned to eliminate duplicates Z: 12 15.863 2.059 0.425 0.789 0.818 0.636 CA 1.547 14 residues pruned to eliminate duplicates Z: 11 22.780 2.165 0.526 0.843 1.000 0.700 CB 1.623 11 residues pruned to eliminate duplicates Z: 12 19.622 1.974 0.556 0.826 0.909 0.636 CB 1.598 Z: 12 17.822 2.039 0.455 0.881 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 12 19.856 2.036 0.442 0.878 1.000 0.727 CB 1.481 24 residues pruned to eliminate duplicates Z: 11 23.002 2.129 0.532 0.853 1.000 0.700 CB 1.649 11 residues pruned to eliminate duplicates Z: 10 20.919 2.202 0.352 0.870 1.000 0.778 CB 1.709 10 residues pruned to eliminate duplicates Z: 121 52.830 2.200 0.499 0.503 0.925 0.525 CB 1.576 83 residues pruned to eliminate duplicates Z: 13 20.410 2.188 0.441 0.681 0.917 0.583 CB 1.726 13 residues pruned to eliminate duplicates Z: 80 38.666 2.095 0.552 0.571 0.911 0.468 CB 1.371 65 residues pruned to eliminate duplicates Z: 6 6.961 1.809 0.333 0.460 1.000 1.000 CA 1.345 6 residues pruned to eliminate duplicates Z: 76 43.964 2.255 0.375 0.507 0.933 0.587 CB 1.742 76 residues pruned to eliminate duplicates Z: 29 17.835 2.036 0.430 0.410 0.857 0.714 CB 1.485 29 residues pruned to eliminate duplicates Z: 10 10.299 2.322 0.212 0.230 0.889 0.889 CB 1.881 10 residues pruned to eliminate duplicates Z: 43 27.503 2.117 0.369 0.559 0.929 0.595 CB 1.489 43 residues pruned to eliminate duplicates Z: 36 23.048 2.181 0.458 0.473 0.800 0.543 CB 1.574 36 residues pruned to eliminate duplicates Z: 77 41.457 2.235 0.386 0.515 0.921 0.632 CB 1.642 77 residues pruned to eliminate duplicates Z: 76 42.947 2.267 0.414 0.493 0.933 0.520 CB 1.670 76 residues pruned to eliminate duplicates Z: 29 19.204 2.215 0.333 0.417 0.821 0.571 CB 1.631 29 residues pruned to eliminate duplicates Z: 94 46.077 2.262 0.440 0.492 0.882 0.581 CB 1.677 94 residues pruned to eliminate duplicates Z: 111 51.636 2.188 0.469 0.542 0.936 0.564 CB 1.570 111 residues pruned to eliminate duplicates Z: 18 13.455 2.272 0.315 0.344 0.824 0.529 CB 1.571 18 residues pruned to eliminate duplicates Z: 54 44.076 2.355 0.463 0.556 0.925 0.642 CB 1.800 54 residues pruned to eliminate duplicates Z: 61 42.258 2.283 0.422 0.525 0.917 0.583 CB 1.787 61 residues pruned to eliminate duplicates Z: 61 42.701 2.347 0.439 0.522 0.900 0.550 CB 1.775 61 residues pruned to eliminate duplicates Z: 60 46.055 2.346 0.491 0.524 0.932 0.525 CB 1.795 60 residues pruned to eliminate duplicates Z: 28 25.423 2.253 0.500 0.529 0.852 0.556 CB 1.652 28 residues pruned to eliminate duplicates Z: 60 37.501 2.287 0.388 0.500 0.898 0.593 CA 1.712 60 residues pruned to eliminate duplicates Z: 61 44.158 2.339 0.486 0.514 0.917 0.517 CB 1.764 61 residues pruned to eliminate duplicates Z: 72 40.272 2.282 0.370 0.506 0.915 0.549 CB 1.661 72 residues pruned to eliminate duplicates Z: 65 46.608 2.355 0.514 0.531 0.938 0.500 CB 1.691 65 residues pruned to eliminate duplicates Z: 26 19.055 2.169 0.374 0.449 0.880 0.480 CB 1.531 26 residues pruned to eliminate duplicates Z: 54 35.637 2.289 0.430 0.530 0.868 0.547 CB 1.673 54 residues pruned to eliminate duplicates Z: 28 21.688 2.263 0.323 0.490 0.889 0.444 CB 1.584 28 residues pruned to eliminate duplicates Z: 70 36.541 2.261 0.376 0.511 0.884 0.507 CB 1.581 70 residues pruned to eliminate duplicates Z: 16 23.155 2.159 0.422 0.830 1.000 0.733 CB 1.464 16 residues pruned to eliminate duplicates Z: 23 24.654 2.209 0.538 0.508 1.000 0.455 CB 1.535 23 residues pruned to eliminate duplicates Z: 71 40.330 2.340 0.352 0.509 0.900 0.571 CB 1.678 71 residues pruned to eliminate duplicates Z: 23 23.607 2.268 0.693 0.508 0.909 0.364 CB 1.431 23 residues pruned to eliminate duplicates Z: 21 25.647 2.193 0.735 0.543 0.950 0.400 CB 1.521 21 residues pruned to eliminate duplicates Z: 57 45.512 2.332 0.471 0.566 0.964 0.714 CB 1.725 57 residues pruned to eliminate duplicates Z: 70 40.885 2.285 0.379 0.503 0.942 0.594 CB 1.653 70 residues pruned to eliminate duplicates Z: 58 39.874 2.240 0.481 0.524 0.947 0.491 CA 1.641 58 residues pruned to eliminate duplicates Z: 69 41.882 2.316 0.376 0.522 0.912 0.603 CB 1.710 69 residues pruned to eliminate duplicates Z: 71 39.562 2.298 0.382 0.523 0.886 0.500 CB 1.643 71 residues pruned to eliminate duplicates Z: 65 46.043 2.348 0.470 0.539 0.953 0.594 CB 1.683 65 residues pruned to eliminate duplicates Z: 63 44.458 2.361 0.475 0.512 0.919 0.500 CB 1.743 63 residues pruned to eliminate duplicates Z: 65 41.254 2.326 0.388 0.533 0.922 0.547 CB 1.678 65 residues pruned to eliminate duplicates Z: 40 37.458 2.339 0.508 0.505 0.949 0.615 CB 1.784 40 residues pruned to eliminate duplicates Z: 60 47.252 2.376 0.539 0.531 0.915 0.610 CB 1.783 60 residues pruned to eliminate duplicates Z: 51 40.307 2.316 0.551 0.542 0.920 0.580 CB 1.655 51 residues pruned to eliminate duplicates Z: 61 43.725 2.323 0.546 0.528 0.900 0.517 CB 1.699 61 residues pruned to eliminate duplicates Z: 71 44.925 2.307 0.438 0.523 0.914 0.514 CB 1.731 71 residues pruned to eliminate duplicates Z: 67 46.343 2.323 0.480 0.532 0.939 0.530 CB 1.711 67 residues pruned to eliminate duplicates Z: 61 45.420 2.344 0.538 0.523 0.900 0.500 CB 1.766 61 residues pruned to eliminate duplicates Z: 65 41.922 2.337 0.434 0.539 0.906 0.484 CB 1.662 65 residues pruned to eliminate duplicates Z: 56 42.472 2.345 0.401 0.525 0.945 0.564 CB 1.799 56 residues pruned to eliminate duplicates Z: 71 44.527 2.327 0.470 0.509 0.886 0.457 CB 1.741 71 residues pruned to eliminate duplicates Z: 75 42.765 2.240 0.495 0.498 0.919 0.500 CB 1.619 75 residues pruned to eliminate duplicates Z: 67 43.630 2.352 0.405 0.525 0.955 0.500 CB 1.660 67 residues pruned to eliminate duplicates Z: 57 43.317 2.354 0.492 0.541 0.893 0.589 CB 1.773 57 residues pruned to eliminate duplicates Z: 56 47.531 2.372 0.581 0.545 0.945 0.600 CB 1.730 56 residues pruned to eliminate duplicates Z: 62 44.908 2.339 0.544 0.503 0.902 0.541 CA 1.761 62 residues pruned to eliminate duplicates Z: 61 49.059 2.372 0.583 0.510 0.933 0.467 CB 1.789 61 residues pruned to eliminate duplicates Z: 61 40.246 2.317 0.402 0.528 0.900 0.483 CB 1.730 61 residues pruned to eliminate duplicates Z: 71 43.796 2.345 0.450 0.508 0.914 0.529 CB 1.671 71 residues pruned to eliminate duplicates Z: 50 33.622 2.325 0.410 0.494 0.898 0.449 CB 1.641 50 residues pruned to eliminate duplicates Z: 19 26.852 2.287 0.503 0.742 0.944 0.500 CA 1.570 19 residues pruned to eliminate duplicates Z: 71 42.771 2.335 0.476 0.509 0.886 0.529 CB 1.660 71 residues pruned to eliminate duplicates Z: 48 38.868 2.325 0.514 0.514 0.936 0.511 CB 1.697 48 residues pruned to eliminate duplicates Z: 69 40.673 2.281 0.574 0.512 0.853 0.426 CB 1.592 69 residues pruned to eliminate duplicates Z: 55 43.537 2.324 0.620 0.538 0.889 0.537 CB 1.705 55 residues pruned to eliminate duplicates Z: 67 41.783 2.309 0.562 0.497 0.879 0.409 CB 1.627 67 residues pruned to eliminate duplicates Z: 27 18.759 2.232 0.266 0.413 0.923 0.500 CB 1.544 27 residues pruned to eliminate duplicates Z: 61 47.894 2.346 0.637 0.520 0.933 0.567 CB 1.691 61 residues pruned to eliminate duplicates Z: 61 44.936 2.333 0.622 0.506 0.900 0.467 CB 1.693 61 residues pruned to eliminate duplicates Z: 64 43.120 2.298 0.695 0.488 0.841 0.429 CB 1.678 64 residues pruned to eliminate duplicates Z: 20 15.264 2.235 0.330 0.390 0.895 0.421 CB 1.480 20 residues pruned to eliminate duplicates Z: 69 38.285 2.285 0.547 0.465 0.868 0.441 CB 1.570 69 residues pruned to eliminate duplicates Z: 68 39.810 2.285 0.567 0.484 0.896 0.388 CB 1.542 68 residues pruned to eliminate duplicates Z: 13 9.160 2.166 0.144 0.459 0.917 0.417 CB 1.214 13 residues pruned to eliminate duplicates Z: 72 45.757 2.338 0.514 0.497 0.915 0.521 CB 1.680 72 residues pruned to eliminate duplicates Z: 8 8.173 2.181 0.404 0.529 0.857 0.429 CB 1.144 8 residues pruned to eliminate duplicates Z: 71 43.120 2.313 0.589 0.503 0.871 0.514 CB 1.604 71 residues pruned to eliminate duplicates Z: 13 6.873 2.101 0.060 0.437 0.750 0.250 CB 1.267 13 residues pruned to eliminate duplicates 427 residues left after pruning, divided into chains as follows: A: 34 B: 12 C: 16 D: 222 E: 22 F: 107 G: 14 CC for partial structure against native data = 29.05 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.299, Contrast = 0.493, Connect. = 0.745 for dens.mod. cycle 1 = 0.299, Contrast = 0.546, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.686, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.698, Connect. = 0.801 for dens.mod. cycle 4 = 0.299, Contrast = 0.711, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.718, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.724, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.728, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.731, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.734, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2912 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 549 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 33.596 2.302 0.499 0.924 1.000 0.833 CB 1.612 B: 15 19.843 2.213 0.265 0.850 0.929 0.929 CA 1.512 C: 13 38.878 2.540 0.722 0.882 1.000 0.917 CB 1.857 D: 14 37.324 2.534 0.609 0.877 1.000 0.846 CA 1.844 13 residues pruned to eliminate duplicates E: 20 32.324 2.289 0.355 0.946 1.000 0.895 CB 1.654 21 residues pruned to eliminate duplicates F: 20 38.235 2.316 0.597 0.945 1.000 0.842 CB 1.641 18 residues pruned to eliminate duplicates G: 15 25.266 2.257 0.441 0.877 1.000 0.857 CA 1.508 15 residues pruned to eliminate duplicates H: 36 25.414 1.971 0.523 0.613 0.971 0.743 CB 1.324 I: 14 35.117 2.500 0.492 0.887 1.000 0.846 CB 1.883 14 residues pruned to eliminate duplicates J: 20 39.094 2.297 0.741 0.942 0.947 0.895 CB 1.642 20 residues pruned to eliminate duplicates K: 20 26.754 2.264 0.279 0.890 0.895 0.842 CB 1.704 20 residues pruned to eliminate duplicates L: 17 26.278 2.200 0.361 0.903 0.938 0.625 CB 1.668 M: 14 28.683 2.428 0.332 0.870 1.000 0.846 CA 1.795 14 residues pruned to eliminate duplicates N: 14 32.323 2.458 0.526 0.892 1.000 0.923 CB 1.716 14 residues pruned to eliminate duplicates O: 7 8.584 1.886 0.213 0.674 1.000 0.500 C 1.305 P: 14 21.678 2.211 0.399 0.862 1.000 0.692 CB 1.427 Q: 14 41.566 2.552 0.684 0.921 1.000 0.846 CB 1.889 14 residues pruned to eliminate duplicates R: 13 13.408 2.177 0.554 0.515 0.917 0.833 CB 1.230 S: 19 36.183 2.345 0.538 0.937 1.000 0.889 CB 1.645 19 residues pruned to eliminate duplicates T: 27 16.327 2.221 0.246 0.380 0.846 0.423 CB 1.555 U: 14 18.819 2.190 0.253 0.903 1.000 0.769 CB 1.356 14 residues pruned to eliminate duplicates V: 17 21.667 2.162 0.172 0.819 1.000 0.688 CB 1.621 W: 19 27.089 2.245 0.252 0.939 1.000 0.889 CB 1.579 19 residues pruned to eliminate duplicates X: 64 38.717 2.283 0.374 0.514 0.937 0.460 CB 1.638 34 residues pruned to eliminate duplicates Y: 17 30.618 2.221 0.423 0.944 1.000 0.625 CB 1.677 17 residues pruned to eliminate duplicates Z: 23 16.719 2.063 0.333 0.427 0.864 0.545 CB 1.619 Z: 14 18.632 2.157 0.359 0.799 1.000 0.846 CA 1.356 14 residues pruned to eliminate duplicates Z: 6 8.769 2.195 -0.002 0.584 1.000 0.600 C 1.652 7 residues pruned to eliminate duplicates Z: 53 23.236 2.005 0.334 0.515 0.846 0.462 CB 1.403 24 residues pruned to eliminate duplicates Z: 18 30.449 2.103 0.807 0.889 0.941 0.706 CB 1.487 17 residues pruned to eliminate duplicates Z: 14 13.982 2.338 -0.156 0.853 0.923 0.769 CA 1.574 14 residues pruned to eliminate duplicates Z: 19 36.192 2.306 0.799 0.927 0.944 0.667 CB 1.526 19 residues pruned to eliminate duplicates Z: 25 26.274 2.173 0.650 0.680 0.917 0.500 CB 1.382 18 residues pruned to eliminate duplicates Z: 7 16.768 2.135 0.325 0.849 1.000 0.833 O 1.793 Z: 33 30.275 2.101 0.641 0.625 0.969 0.625 CB 1.424 36 residues pruned to eliminate duplicates Z: 8 15.760 1.991 0.324 0.889 1.000 0.857 N 1.627 8 residues pruned to eliminate duplicates Z: 14 21.629 2.310 0.312 0.794 0.923 0.615 CB 1.656 13 residues pruned to eliminate duplicates Z: 20 29.342 2.249 0.438 0.926 0.947 0.842 CB 1.541 20 residues pruned to eliminate duplicates Z: 54 44.330 2.388 0.500 0.544 0.925 0.566 CB 1.762 35 residues pruned to eliminate duplicates Z: 66 49.331 2.368 0.485 0.572 0.938 0.600 CB 1.730 53 residues pruned to eliminate duplicates Z: 9 13.712 2.075 0.136 0.893 1.000 0.875 CB 1.476 Z: 9 12.263 2.065 0.668 0.497 1.000 0.625 CB 1.263 9 residues pruned to eliminate duplicates Z: 13 44.860 2.476 1.072 0.913 1.000 0.833 CB 1.787 13 residues pruned to eliminate duplicates Z: 17 34.515 2.277 0.841 0.927 0.875 0.500 CB 1.648 18 residues pruned to eliminate duplicates Z: 15 17.096 1.951 0.319 0.898 1.000 0.714 CB 1.271 15 residues pruned to eliminate duplicates Z: 15 17.730 2.146 0.360 0.885 0.929 0.643 CA 1.262 15 residues pruned to eliminate duplicates Z: 17 18.992 2.105 0.434 0.794 0.938 0.562 CA 1.296 17 residues pruned to eliminate duplicates Z: 19 26.094 2.359 0.312 0.733 0.944 0.556 CA 1.707 19 residues pruned to eliminate duplicates Z: 53 39.155 2.338 0.383 0.549 0.942 0.615 CB 1.699 53 residues pruned to eliminate duplicates Z: 7 12.569 2.255 0.377 0.672 0.833 0.833 CA 1.692 7 residues pruned to eliminate duplicates Z: 6 7.044 1.819 -0.023 0.725 1.000 0.800 CA 1.448 Z: 36 27.435 2.072 0.587 0.587 0.886 0.657 CB 1.465 33 residues pruned to eliminate duplicates Z: 14 24.206 2.303 0.643 0.861 0.846 0.385 CA 1.541 14 residues pruned to eliminate duplicates Z: 14 49.141 2.533 1.087 0.902 1.000 0.846 CB 1.839 14 residues pruned to eliminate duplicates Z: 13 11.803 2.043 0.052 0.937 1.000 0.750 CB 1.104 13 residues pruned to eliminate duplicates Z: 19 22.759 2.076 0.471 0.878 0.833 0.500 CB 1.530 19 residues pruned to eliminate duplicates Z: 18 25.914 2.062 0.391 0.941 1.000 0.882 CB 1.521 18 residues pruned to eliminate duplicates Z: 38 37.621 2.323 0.598 0.526 0.946 0.486 CA 1.717 38 residues pruned to eliminate duplicates Z: 9 11.248 1.895 0.360 0.738 0.875 0.625 CB 1.425 8 residues pruned to eliminate duplicates Z: 9 14.422 1.889 0.303 0.870 1.000 0.625 N 1.513 9 residues pruned to eliminate duplicates Z: 7 10.419 2.110 0.235 0.599 0.833 0.667 CA 1.781 Z: 13 13.086 2.048 -0.006 0.908 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 29 21.339 2.011 0.370 0.686 0.893 0.571 CB 1.383 31 residues pruned to eliminate duplicates Z: 48 31.048 2.290 0.358 0.508 0.894 0.383 CB 1.616 48 residues pruned to eliminate duplicates Z: 15 23.060 2.234 0.337 0.839 0.929 0.571 CA 1.660 15 residues pruned to eliminate duplicates Z: 16 21.224 2.131 0.373 0.904 1.000 0.800 CB 1.334 14 residues pruned to eliminate duplicates Z: 65 49.068 2.364 0.549 0.578 0.906 0.656 CB 1.715 64 residues pruned to eliminate duplicates Z: 14 21.478 2.169 0.472 0.816 0.846 0.538 CB 1.676 14 residues pruned to eliminate duplicates Z: 9 13.109 1.774 0.527 0.758 1.000 0.625 CB 1.361 9 residues pruned to eliminate duplicates Z: 24 14.008 1.966 0.415 0.444 0.870 0.522 CB 1.279 17 residues pruned to eliminate duplicates Z: 14 34.159 2.277 0.808 0.847 1.000 0.692 CB 1.708 14 residues pruned to eliminate duplicates Z: 18 21.772 2.018 0.334 0.854 0.941 0.706 CB 1.539 18 residues pruned to eliminate duplicates Z: 41 40.600 2.325 0.685 0.552 0.925 0.575 CB 1.683 41 residues pruned to eliminate duplicates Z: 7 8.148 2.004 0.207 0.798 0.833 0.667 CB 1.271 8 residues pruned to eliminate duplicates Z: 7 14.516 2.104 0.247 0.898 1.000 0.833 CB 1.616 7 residues pruned to eliminate duplicates Z: 36 33.025 2.181 0.622 0.533 0.914 0.543 CA 1.670 36 residues pruned to eliminate duplicates Z: 18 19.778 2.056 0.813 0.858 0.706 0.529 CB 1.342 18 residues pruned to eliminate duplicates Z: 12 13.190 1.997 0.340 0.832 0.818 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 54 40.593 2.369 0.531 0.615 0.849 0.566 CB 1.624 40 residues pruned to eliminate duplicates Z: 16 12.033 2.226 0.264 0.430 0.800 0.400 CB 1.484 8 residues pruned to eliminate duplicates Z: 12 10.660 2.328 0.098 0.554 0.818 0.636 CB 1.457 12 residues pruned to eliminate duplicates Z: 51 24.942 1.985 0.416 0.546 0.940 0.520 CB 1.277 51 residues pruned to eliminate duplicates Z: 72 44.312 2.324 0.502 0.499 0.915 0.563 CB 1.647 72 residues pruned to eliminate duplicates Z: 16 31.225 2.210 0.500 0.928 1.000 0.867 CB 1.704 16 residues pruned to eliminate duplicates Z: 30 23.896 2.139 0.558 0.586 0.862 0.586 CB 1.422 16 residues pruned to eliminate duplicates Z: 11 10.580 2.042 0.203 0.832 0.900 0.500 CB 1.136 11 residues pruned to eliminate duplicates Z: 14 15.276 1.994 0.514 0.919 1.000 0.538 CB 0.989 14 residues pruned to eliminate duplicates Z: 22 23.528 2.149 0.626 0.507 0.857 0.619 CB 1.702 22 residues pruned to eliminate duplicates Z: 18 30.806 2.367 0.421 0.927 0.941 0.882 CB 1.654 18 residues pruned to eliminate duplicates Z: 11 17.779 2.044 0.730 0.870 0.900 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 6 13.294 2.518 0.474 0.531 0.800 0.800 CB 1.943 6 residues pruned to eliminate duplicates Z: 18 29.044 2.147 0.514 0.906 1.000 0.765 CB 1.542 18 residues pruned to eliminate duplicates Z: 15 17.535 2.206 -0.005 0.925 1.000 0.929 CB 1.498 15 residues pruned to eliminate duplicates Z: 61 51.337 2.429 0.625 0.570 0.900 0.667 CA 1.743 61 residues pruned to eliminate duplicates Z: 143 66.921 2.381 0.480 0.555 0.923 0.613 CB 1.639 124 residues pruned to eliminate duplicates Z: 16 22.457 2.168 0.447 0.923 1.000 0.800 CB 1.300 16 residues pruned to eliminate duplicates Z: 53 40.233 2.351 0.509 0.538 0.923 0.654 CB 1.641 53 residues pruned to eliminate duplicates Z: 13 14.613 1.934 0.358 0.873 1.000 0.750 CB 1.170 13 residues pruned to eliminate duplicates Z: 15 21.179 2.173 0.384 0.842 0.857 0.714 CB 1.637 15 residues pruned to eliminate duplicates Z: 8 8.635 1.888 0.190 0.804 0.857 0.857 CA 1.300 8 residues pruned to eliminate duplicates Z: 8 9.885 1.898 0.136 0.839 0.857 0.714 CB 1.510 8 residues pruned to eliminate duplicates Z: 9 9.165 2.022 0.053 0.708 0.875 0.625 CB 1.439 9 residues pruned to eliminate duplicates Z: 29 20.849 2.247 0.362 0.435 0.929 0.393 CB 1.482 29 residues pruned to eliminate duplicates Z: 15 26.171 2.160 0.881 0.838 0.929 0.429 CA 1.386 15 residues pruned to eliminate duplicates Z: 18 30.414 2.153 0.504 0.932 1.000 0.588 CB 1.590 18 residues pruned to eliminate duplicates Z: 11 15.836 1.752 0.767 0.859 1.000 0.800 CB 1.191 11 residues pruned to eliminate duplicates Z: 10 19.820 2.051 0.883 0.901 1.000 0.778 CB 1.221 10 residues pruned to eliminate duplicates Z: 62 42.757 2.359 0.417 0.590 0.902 0.738 CB 1.667 62 residues pruned to eliminate duplicates Z: 11 14.689 1.769 0.595 0.901 1.000 0.900 CB 1.175 11 residues pruned to eliminate duplicates Z: 13 22.912 2.267 0.494 0.910 1.000 0.583 CB 1.385 13 residues pruned to eliminate duplicates Z: 15 14.712 2.169 0.363 0.831 0.786 0.429 CA 1.272 15 residues pruned to eliminate duplicates Z: 10 15.327 1.897 0.750 0.895 0.889 0.444 CB 1.241 10 residues pruned to eliminate duplicates Z: 13 14.439 2.003 0.509 0.543 0.917 0.500 CB 1.442 Z: 9 12.129 1.822 0.417 0.890 1.000 0.875 CB 1.195 Z: 14 26.110 2.260 0.741 0.893 0.923 0.769 CB 1.432 14 residues pruned to eliminate duplicates Z: 11 8.181 1.894 0.389 0.405 0.900 0.600 CB 1.207 9 residues pruned to eliminate duplicates Z: 58 43.870 2.347 0.625 0.608 0.860 0.544 CB 1.599 58 residues pruned to eliminate duplicates Z: 7 14.483 2.104 0.178 0.874 1.000 1.000 CB 1.736 7 residues pruned to eliminate duplicates Z: 7 10.672 1.958 0.211 0.877 0.833 0.833 CA 1.602 7 residues pruned to eliminate duplicates Z: 31 26.437 2.308 0.239 0.596 0.933 0.700 CB 1.650 31 residues pruned to eliminate duplicates Z: 6 5.175 1.674 -0.032 0.764 1.000 0.600 N 1.130 6 residues pruned to eliminate duplicates Z: 18 27.577 2.090 0.483 0.923 1.000 0.882 CB 1.517 18 residues pruned to eliminate duplicates Z: 9 10.570 1.909 0.006 0.894 1.000 0.750 CB 1.397 8 residues pruned to eliminate duplicates Z: 11 7.502 1.757 0.261 0.729 0.800 0.500 CA 1.089 11 residues pruned to eliminate duplicates Z: 56 29.437 2.314 0.222 0.463 0.927 0.582 CB 1.572 56 residues pruned to eliminate duplicates Z: 12 18.297 2.261 0.517 0.888 1.000 0.818 CA 1.159 12 residues pruned to eliminate duplicates Z: 14 33.099 2.264 0.747 0.860 1.000 0.615 CB 1.706 14 residues pruned to eliminate duplicates Z: 28 26.216 2.167 0.719 0.554 0.852 0.667 CB 1.508 28 residues pruned to eliminate duplicates Z: 19 15.117 2.264 0.279 0.431 0.889 0.500 CB 1.488 19 residues pruned to eliminate duplicates Z: 14 24.687 2.231 0.646 0.891 0.923 0.769 CB 1.451 14 residues pruned to eliminate duplicates Z: 13 15.184 2.147 0.041 0.885 1.000 0.833 CB 1.416 10 residues pruned to eliminate duplicates Z: 60 49.573 2.399 0.641 0.554 0.915 0.559 CB 1.700 60 residues pruned to eliminate duplicates Z: 48 28.863 2.209 0.530 0.464 0.894 0.596 CB 1.446 48 residues pruned to eliminate duplicates Z: 11 12.299 1.898 0.096 0.888 0.900 0.700 CB 1.497 11 residues pruned to eliminate duplicates Z: 9 8.681 1.965 0.165 0.866 0.875 0.750 CB 1.122 9 residues pruned to eliminate duplicates Z: 12 18.433 1.998 0.321 0.843 1.000 0.545 CB 1.568 12 residues pruned to eliminate duplicates Z: 85 46.643 2.388 0.570 0.495 0.881 0.524 CB 1.550 85 residues pruned to eliminate duplicates Z: 17 19.627 2.095 0.529 0.841 0.938 0.750 CB 1.218 17 residues pruned to eliminate duplicates Z: 14 32.086 2.316 0.863 0.932 1.000 0.615 CB 1.441 14 residues pruned to eliminate duplicates Z: 7 8.570 1.752 0.002 0.845 1.000 1.000 O 1.482 7 residues pruned to eliminate duplicates Z: 18 20.752 2.053 0.478 0.729 0.882 0.647 CA 1.530 18 residues pruned to eliminate duplicates Z: 15 12.864 2.111 0.031 0.767 1.000 0.786 CA 1.246 15 residues pruned to eliminate duplicates Z: 8 16.362 1.943 0.449 0.877 1.000 1.000 N 1.594 8 residues pruned to eliminate duplicates Z: 14 33.297 2.455 0.562 0.920 1.000 0.692 CA 1.696 14 residues pruned to eliminate duplicates Z: 50 46.286 2.442 0.465 0.576 0.939 0.653 CB 1.829 50 residues pruned to eliminate duplicates Z: 25 21.649 2.095 0.316 0.714 0.958 0.667 CB 1.378 27 residues pruned to eliminate duplicates Z: 14 46.750 2.535 0.974 0.915 1.000 0.769 CB 1.832 14 residues pruned to eliminate duplicates Z: 13 15.315 2.077 0.574 0.527 0.833 0.500 CB 1.581 13 residues pruned to eliminate duplicates Z: 14 22.554 2.330 0.373 0.829 1.000 0.846 CA 1.471 14 residues pruned to eliminate duplicates Z: 7 9.302 1.983 0.676 0.554 0.667 0.667 CB 1.626 5 residues pruned to eliminate duplicates Z: 11 14.776 2.044 0.247 0.790 0.900 0.600 CB 1.580 11 residues pruned to eliminate duplicates Z: 10 18.852 2.267 0.476 0.782 0.889 0.889 CA 1.648 10 residues pruned to eliminate duplicates Z: 8 14.194 1.931 0.557 0.790 1.000 0.429 CB 1.384 9 residues pruned to eliminate duplicates Z: 10 8.508 2.027 0.491 0.342 0.778 0.444 CB 1.434 13 residues pruned to eliminate duplicates Z: 12 13.216 1.992 0.289 0.890 0.909 0.818 CB 1.228 12 residues pruned to eliminate duplicates Z: 12 13.641 2.052 0.288 0.897 1.000 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 56 28.062 2.287 0.356 0.429 0.836 0.564 CB 1.571 56 residues pruned to eliminate duplicates Z: 17 18.658 2.064 0.153 0.902 1.000 0.875 CB 1.397 17 residues pruned to eliminate duplicates Z: 23 29.741 2.205 0.699 0.735 0.864 0.409 CB 1.586 23 residues pruned to eliminate duplicates Z: 10 16.232 2.313 -0.018 0.789 1.000 0.889 CB 1.847 10 residues pruned to eliminate duplicates Z: 21 13.988 2.006 0.620 0.347 0.800 0.450 CA 1.420 21 residues pruned to eliminate duplicates Z: 60 40.008 2.279 0.475 0.551 0.915 0.542 CB 1.610 60 residues pruned to eliminate duplicates Z: 11 8.550 1.786 0.814 0.230 0.800 0.400 CB 1.428 11 residues pruned to eliminate duplicates Z: 13 22.697 2.106 0.579 0.903 1.000 0.500 CB 1.405 13 residues pruned to eliminate duplicates Z: 15 23.127 2.197 0.477 0.840 0.929 0.857 CA 1.531 15 residues pruned to eliminate duplicates Z: 33 21.676 2.052 0.511 0.593 0.875 0.594 CB 1.292 33 residues pruned to eliminate duplicates Z: 11 18.799 2.063 0.679 0.906 1.000 0.800 CB 1.220 11 residues pruned to eliminate duplicates Z: 13 18.259 2.151 0.584 0.766 0.917 0.750 CB 1.334 13 residues pruned to eliminate duplicates Z: 74 47.825 2.357 0.497 0.524 0.945 0.603 CB 1.638 74 residues pruned to eliminate duplicates Z: 25 27.776 2.213 0.598 0.686 0.958 0.458 CB 1.410 25 residues pruned to eliminate duplicates Z: 16 17.109 2.130 0.030 0.871 1.000 0.933 CB 1.469 16 residues pruned to eliminate duplicates Z: 12 17.828 2.068 0.579 0.897 1.000 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 12 10.969 1.866 0.148 0.777 0.818 0.545 CB 1.477 12 residues pruned to eliminate duplicates Z: 14 33.575 2.368 0.828 0.893 1.000 0.769 CB 1.544 14 residues pruned to eliminate duplicates Z: 14 26.854 1.954 0.796 0.923 1.000 0.385 CB 1.491 Z: 7 7.486 1.782 0.605 0.541 0.833 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 15 21.305 1.883 0.498 0.873 0.929 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 8 8.479 1.940 0.251 0.711 0.714 0.429 CA 1.526 8 residues pruned to eliminate duplicates Z: 16 24.715 2.147 0.547 0.894 1.000 0.733 CB 1.378 16 residues pruned to eliminate duplicates Z: 9 12.329 1.922 0.537 0.833 1.000 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 13 14.644 2.078 0.403 0.913 1.000 0.583 CB 1.026 13 residues pruned to eliminate duplicates Z: 62 41.795 2.276 0.535 0.506 0.934 0.541 CB 1.629 62 residues pruned to eliminate duplicates Z: 14 19.547 1.965 0.295 0.913 0.923 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 15 18.172 2.128 0.426 0.881 1.000 0.857 CA 1.159 15 residues pruned to eliminate duplicates Z: 11 11.210 1.820 0.274 0.756 0.900 0.600 CA 1.353 11 residues pruned to eliminate duplicates Z: 8 7.563 1.939 0.101 0.860 1.000 1.000 CB 0.985 8 residues pruned to eliminate duplicates Z: 14 21.309 1.907 0.481 0.885 1.000 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 10 10.606 2.121 -0.106 0.920 1.000 0.889 CB 1.313 10 residues pruned to eliminate duplicates Z: 23 13.477 2.227 0.367 0.351 0.864 0.500 CB 1.285 23 residues pruned to eliminate duplicates Z: 40 23.800 2.187 0.365 0.455 0.872 0.615 CB 1.534 38 residues pruned to eliminate duplicates Z: 48 35.504 2.320 0.518 0.456 0.915 0.447 CB 1.681 48 residues pruned to eliminate duplicates Z: 15 18.245 2.034 0.521 0.948 1.000 0.786 CB 1.089 15 residues pruned to eliminate duplicates Z: 11 18.071 2.077 0.573 0.890 1.000 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 15 19.479 2.158 0.576 0.824 0.929 0.643 CA 1.245 15 residues pruned to eliminate duplicates Z: 6 8.103 2.262 0.096 0.658 0.800 0.800 CB 1.578 8 residues pruned to eliminate duplicates Z: 15 23.289 2.219 0.631 0.881 1.000 0.643 CB 1.245 15 residues pruned to eliminate duplicates Z: 15 27.172 2.276 0.643 0.853 1.000 0.500 CA 1.435 15 residues pruned to eliminate duplicates Z: 15 23.317 1.852 0.721 0.866 1.000 0.429 CB 1.431 15 residues pruned to eliminate duplicates Z: 6 2.182 1.725 0.127 0.534 0.800 0.800 CB 0.607 6 residues pruned to eliminate duplicates Z: 15 22.332 1.911 0.554 0.883 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 14 25.348 2.298 0.617 0.846 1.000 0.923 CA 1.405 14 residues pruned to eliminate duplicates Z: 19 35.182 2.282 0.630 0.917 1.000 0.833 CB 1.574 19 residues pruned to eliminate duplicates Z: 20 33.529 2.235 0.795 0.922 0.947 0.579 CB 1.423 20 residues pruned to eliminate duplicates Z: 14 16.225 1.901 0.516 0.838 0.846 0.308 CB 1.378 14 residues pruned to eliminate duplicates Z: 24 13.234 2.019 0.496 0.396 0.826 0.478 CB 1.234 24 residues pruned to eliminate duplicates Z: 8 7.146 2.300 0.207 0.388 0.857 0.429 CB 1.278 8 residues pruned to eliminate duplicates Z: 11 11.385 2.177 0.539 0.497 0.800 0.600 CB 1.347 11 residues pruned to eliminate duplicates Z: 14 27.576 1.938 0.867 0.921 1.000 0.462 CB 1.488 14 residues pruned to eliminate duplicates Z: 18 29.234 2.091 0.530 0.906 1.000 0.824 CB 1.576 18 residues pruned to eliminate duplicates Z: 11 15.157 1.704 0.613 0.851 1.000 1.000 CB 1.291 11 residues pruned to eliminate duplicates Z: 9 24.289 2.253 0.736 0.857 1.000 1.000 CA 1.619 9 residues pruned to eliminate duplicates Z: 15 23.637 2.235 0.655 0.860 0.929 0.571 CA 1.352 15 residues pruned to eliminate duplicates Z: 9 10.578 2.064 0.121 0.850 1.000 0.625 CB 1.197 9 residues pruned to eliminate duplicates Z: 12 13.198 2.060 0.176 0.913 1.000 0.818 CB 1.163 12 residues pruned to eliminate duplicates Z: 62 42.192 2.352 0.442 0.522 0.918 0.492 CB 1.697 62 residues pruned to eliminate duplicates Z: 7 7.908 1.960 0.261 0.653 0.833 0.500 CB 1.359 7 residues pruned to eliminate duplicates Z: 18 15.301 2.192 0.393 0.443 0.882 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 18 15.575 1.963 0.818 0.454 0.824 0.706 CA 1.348 18 residues pruned to eliminate duplicates Z: 9 13.742 1.949 0.553 0.819 0.875 0.750 CB 1.391 9 residues pruned to eliminate duplicates Z: 10 9.145 2.020 -0.098 0.897 1.000 0.778 CB 1.198 10 residues pruned to eliminate duplicates Z: 11 7.500 2.233 0.008 0.339 0.700 0.600 CA 1.793 11 residues pruned to eliminate duplicates Z: 49 41.807 2.279 0.537 0.676 0.938 0.542 CB 1.563 49 residues pruned to eliminate duplicates Z: 10 11.754 1.763 0.797 0.808 0.889 0.333 CB 1.064 10 residues pruned to eliminate duplicates Z: 10 18.621 2.281 0.573 0.752 0.889 0.778 CA 1.555 10 residues pruned to eliminate duplicates Z: 6 2.119 1.926 -0.275 0.485 1.000 0.400 CB 0.689 6 residues pruned to eliminate duplicates Z: 14 17.165 2.034 0.162 0.842 1.000 0.769 CB 1.501 13 residues pruned to eliminate duplicates Z: 8 9.345 1.815 0.094 0.863 1.000 0.857 CB 1.306 8 residues pruned to eliminate duplicates Z: 25 24.886 2.168 0.629 0.696 0.917 0.375 CB 1.312 25 residues pruned to eliminate duplicates Z: 14 24.704 2.175 0.604 0.916 1.000 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 9 8.932 1.802 0.092 0.797 0.875 0.625 CB 1.414 9 residues pruned to eliminate duplicates Z: 74 41.030 2.319 0.543 0.529 0.890 0.521 CB 1.465 74 residues pruned to eliminate duplicates Z: 14 22.808 1.966 0.457 0.894 1.000 0.923 CB 1.583 14 residues pruned to eliminate duplicates Z: 14 18.297 1.932 0.494 0.893 0.846 0.538 CB 1.491 14 residues pruned to eliminate duplicates Z: 27 32.098 2.407 0.521 0.715 0.885 0.538 CB 1.599 27 residues pruned to eliminate duplicates Z: 29 15.428 2.122 0.485 0.367 0.857 0.500 CB 1.246 29 residues pruned to eliminate duplicates Z: 22 15.098 2.341 0.281 0.403 0.857 0.476 CB 1.419 22 residues pruned to eliminate duplicates Z: 7 13.018 2.069 0.169 0.843 1.000 0.667 CA 1.637 7 residues pruned to eliminate duplicates Z: 59 44.727 2.332 0.570 0.529 0.931 0.448 CB 1.675 59 residues pruned to eliminate duplicates Z: 14 24.521 2.270 0.474 0.849 1.000 0.692 CA 1.506 14 residues pruned to eliminate duplicates Z: 7 10.381 2.039 0.366 0.815 1.000 1.000 CB 1.157 7 residues pruned to eliminate duplicates Z: 14 15.554 2.004 0.340 0.857 0.923 0.538 CB 1.283 12 residues pruned to eliminate duplicates Z: 15 29.565 2.207 0.825 0.862 0.929 0.929 CB 1.551 28 residues pruned to eliminate duplicates Z: 6 8.785 1.809 0.555 0.705 0.800 0.600 N 1.449 6 residues pruned to eliminate duplicates Z: 10 9.998 2.014 0.119 0.540 0.889 0.667 CA 1.601 10 residues pruned to eliminate duplicates Z: 6 8.080 1.652 0.502 0.820 1.000 0.800 CA 1.103 6 residues pruned to eliminate duplicates Z: 15 30.711 2.268 0.770 0.822 0.929 0.500 CB 1.665 15 residues pruned to eliminate duplicates Z: 15 22.555 1.939 0.443 0.878 1.000 0.786 CA 1.564 15 residues pruned to eliminate duplicates Z: 166 63.633 2.314 0.530 0.524 0.891 0.545 CB 1.535 166 residues pruned to eliminate duplicates Z: 6 9.980 1.997 0.234 0.846 1.000 0.800 CB 1.345 6 residues pruned to eliminate duplicates Z: 15 24.425 2.182 0.609 0.836 0.929 0.857 CB 1.499 15 residues pruned to eliminate duplicates Z: 7 7.235 1.921 0.881 0.461 0.667 0.667 CB 1.275 7 residues pruned to eliminate duplicates Z: 20 16.038 2.060 0.255 0.553 0.895 0.737 CB 1.510 20 residues pruned to eliminate duplicates Z: 23 25.257 2.096 0.686 0.513 0.909 0.500 CB 1.654 23 residues pruned to eliminate duplicates Z: 19 20.474 2.014 0.623 0.685 0.944 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 19 10.949 2.054 0.156 0.427 0.833 0.611 CB 1.406 17 residues pruned to eliminate duplicates Z: 11 8.659 1.485 0.542 0.918 1.000 0.700 CB 0.843 Z: 24 25.670 2.194 0.712 0.521 0.870 0.609 CB 1.606 24 residues pruned to eliminate duplicates Z: 22 27.121 2.145 0.624 0.519 0.952 0.667 CB 1.751 22 residues pruned to eliminate duplicates Z: 14 18.596 1.972 0.555 0.642 0.923 0.769 CA 1.595 14 residues pruned to eliminate duplicates Z: 15 21.301 2.193 0.564 0.819 0.929 0.643 CA 1.355 15 residues pruned to eliminate duplicates Z: 13 28.045 2.320 0.586 0.838 0.917 0.583 CB 1.794 13 residues pruned to eliminate duplicates Z: 63 43.999 2.282 0.570 0.549 0.919 0.581 CB 1.617 63 residues pruned to eliminate duplicates Z: 26 29.328 2.304 0.686 0.530 0.880 0.600 CA 1.666 26 residues pruned to eliminate duplicates Z: 88 49.270 2.324 0.518 0.569 0.920 0.575 CB 1.523 88 residues pruned to eliminate duplicates Z: 8 6.690 1.849 0.189 0.630 0.857 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 88 56.838 2.390 0.613 0.531 0.931 0.609 CB 1.646 88 residues pruned to eliminate duplicates Z: 6 5.647 2.086 0.268 0.393 0.800 0.400 CB 1.335 Z: 15 22.739 1.838 0.595 0.882 1.000 0.571 N 1.501 15 residues pruned to eliminate duplicates Z: 13 14.374 2.072 0.077 0.909 1.000 0.917 CB 1.320 13 residues pruned to eliminate duplicates Z: 11 18.630 2.254 0.411 0.769 0.900 0.600 CB 1.622 11 residues pruned to eliminate duplicates Z: 8 14.925 2.020 0.444 0.856 1.000 1.000 CB 1.426 8 residues pruned to eliminate duplicates Z: 7 7.273 2.093 0.038 0.676 1.000 0.333 CA 1.163 7 residues pruned to eliminate duplicates Z: 16 22.471 2.149 0.779 0.863 0.933 0.600 CA 1.193 16 residues pruned to eliminate duplicates Z: 21 20.401 2.146 0.405 0.605 0.900 0.650 CB 1.522 21 residues pruned to eliminate duplicates Z: 17 41.700 2.395 0.915 0.943 1.000 0.750 CB 1.575 17 residues pruned to eliminate duplicates Z: 10 13.587 1.768 0.919 0.892 1.000 0.444 CB 0.959 10 residues pruned to eliminate duplicates Z: 14 22.684 2.186 0.359 0.919 1.000 0.615 CB 1.493 14 residues pruned to eliminate duplicates Z: 6 6.992 2.170 0.152 0.435 0.800 0.400 CA 1.673 6 residues pruned to eliminate duplicates Z: 29 38.580 2.451 0.587 0.590 0.964 0.679 CA 1.782 29 residues pruned to eliminate duplicates Z: 8 12.505 1.849 0.668 0.769 0.857 0.714 C 1.409 8 residues pruned to eliminate duplicates Z: 16 18.620 1.810 0.787 0.817 0.800 0.533 CB 1.411 16 residues pruned to eliminate duplicates Z: 6 4.448 1.663 0.447 0.513 0.800 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 7 8.386 2.353 0.030 0.412 0.833 0.500 CB 1.859 7 residues pruned to eliminate duplicates Z: 15 9.154 2.035 0.173 0.332 0.786 0.500 CB 1.567 15 residues pruned to eliminate duplicates Z: 7 7.799 1.877 0.422 0.685 0.833 0.333 C 1.208 7 residues pruned to eliminate duplicates Z: 30 17.450 1.992 0.531 0.565 0.828 0.552 CB 1.205 30 residues pruned to eliminate duplicates Z: 22 12.591 2.231 0.204 0.382 0.905 0.333 CB 1.281 22 residues pruned to eliminate duplicates Z: 6 4.261 1.695 -0.323 0.715 1.000 0.600 CB 1.367 6 residues pruned to eliminate duplicates Z: 15 14.115 1.806 0.221 0.887 1.000 0.857 CA 1.233 15 residues pruned to eliminate duplicates Z: 70 41.992 2.306 0.429 0.533 0.928 0.565 CB 1.601 71 residues pruned to eliminate duplicates Z: 13 34.626 2.523 0.526 0.908 1.000 1.000 CA 1.844 13 residues pruned to eliminate duplicates Z: 69 34.600 2.263 0.466 0.446 0.868 0.529 CB 1.541 69 residues pruned to eliminate duplicates Z: 13 15.533 1.670 0.453 0.827 1.000 0.833 CB 1.393 13 residues pruned to eliminate duplicates Z: 51 42.422 2.329 0.518 0.556 0.920 0.640 CA 1.747 51 residues pruned to eliminate duplicates Z: 20 13.209 2.298 0.295 0.386 0.842 0.579 CB 1.364 20 residues pruned to eliminate duplicates Z: 59 30.492 2.248 0.321 0.491 0.914 0.586 CB 1.490 59 residues pruned to eliminate duplicates Z: 7 15.992 2.106 0.342 0.796 1.000 0.667 CB 1.782 7 residues pruned to eliminate duplicates Z: 14 23.944 2.150 0.808 0.839 1.000 0.846 CA 1.276 14 residues pruned to eliminate duplicates Z: 68 43.035 2.320 0.506 0.580 0.910 0.567 CB 1.530 68 residues pruned to eliminate duplicates Z: 16 13.922 2.080 0.091 0.792 1.000 0.733 CB 1.225 16 residues pruned to eliminate duplicates Z: 41 23.021 2.219 0.404 0.438 0.900 0.575 CB 1.383 41 residues pruned to eliminate duplicates Z: 16 25.263 2.300 0.558 0.669 0.933 0.733 CB 1.668 16 residues pruned to eliminate duplicates Z: 14 8.090 1.894 0.262 0.420 0.923 0.462 CB 1.106 13 residues pruned to eliminate duplicates Z: 28 36.109 2.375 0.736 0.701 0.926 0.630 CB 1.515 28 residues pruned to eliminate duplicates Z: 14 25.976 2.187 0.742 0.882 0.923 0.538 CB 1.482 14 residues pruned to eliminate duplicates Z: 13 19.723 2.305 0.716 0.594 0.917 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 15 19.952 1.936 0.381 0.859 1.000 0.714 CB 1.468 14 residues pruned to eliminate duplicates Z: 14 18.503 1.977 0.737 0.659 0.846 0.538 CB 1.524 14 residues pruned to eliminate duplicates Z: 6 10.242 2.041 0.027 0.830 1.000 1.000 CA 1.642 6 residues pruned to eliminate duplicates Z: 26 23.490 2.290 0.496 0.512 0.880 0.680 CB 1.541 23 residues pruned to eliminate duplicates Z: 11 9.137 2.121 0.210 0.435 0.800 0.400 CB 1.507 11 residues pruned to eliminate duplicates Z: 13 11.865 2.104 0.405 0.576 0.917 0.583 CB 1.174 13 residues pruned to eliminate duplicates Z: 15 22.906 2.096 0.554 0.895 0.929 0.714 CB 1.451 15 residues pruned to eliminate duplicates Z: 16 26.697 2.230 0.484 0.880 0.867 0.467 CB 1.742 16 residues pruned to eliminate duplicates Z: 9 7.027 1.543 0.150 0.836 1.000 0.875 CA 1.048 9 residues pruned to eliminate duplicates Z: 14 7.149 2.074 0.079 0.383 0.846 0.385 CB 1.186 14 residues pruned to eliminate duplicates Z: 13 15.870 2.094 0.315 0.902 0.917 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 57 36.776 2.222 0.557 0.530 0.893 0.607 CB 1.545 57 residues pruned to eliminate duplicates Z: 28 18.551 2.020 0.200 0.526 0.926 0.704 CB 1.550 26 residues pruned to eliminate duplicates Z: 16 9.513 2.023 0.041 0.379 0.933 0.400 CB 1.421 16 residues pruned to eliminate duplicates Z: 10 17.139 2.035 0.547 0.856 0.889 0.778 CB 1.505 10 residues pruned to eliminate duplicates Z: 7 5.707 1.773 0.403 0.332 0.833 0.500 CB 1.351 7 residues pruned to eliminate duplicates Z: 10 8.330 1.808 0.481 0.428 1.000 0.889 CB 1.117 10 residues pruned to eliminate duplicates Z: 25 19.822 2.005 0.623 0.569 0.833 0.667 CB 1.396 25 residues pruned to eliminate duplicates Z: 35 27.208 2.052 0.558 0.588 0.971 0.647 CB 1.382 35 residues pruned to eliminate duplicates Z: 11 20.188 2.118 0.456 0.846 1.000 0.700 CB 1.539 11 residues pruned to eliminate duplicates Z: 50 32.058 2.289 0.265 0.556 0.878 0.592 CB 1.708 50 residues pruned to eliminate duplicates Z: 15 23.856 2.485 0.599 0.584 0.929 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 8 5.965 1.808 0.289 0.590 0.857 0.571 CB 1.036 8 residues pruned to eliminate duplicates Z: 9 12.951 1.693 0.425 0.851 1.000 1.000 CB 1.405 9 residues pruned to eliminate duplicates Z: 15 20.999 2.018 0.555 0.900 1.000 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 7 8.439 1.767 0.399 0.691 1.000 0.333 CA 1.171 6 residues pruned to eliminate duplicates Z: 14 30.981 2.310 0.567 0.854 1.000 0.538 CA 1.753 14 residues pruned to eliminate duplicates Z: 40 26.767 2.033 0.359 0.645 0.949 0.641 CB 1.429 40 residues pruned to eliminate duplicates Z: 12 9.501 2.008 0.210 0.550 0.818 0.636 CB 1.372 12 residues pruned to eliminate duplicates Z: 21 29.390 2.354 0.559 0.584 0.950 0.500 CB 1.740 21 residues pruned to eliminate duplicates Z: 23 13.147 2.189 0.166 0.441 0.818 0.682 CB 1.426 23 residues pruned to eliminate duplicates Z: 12 13.742 1.982 0.431 0.771 0.818 0.545 CB 1.405 12 residues pruned to eliminate duplicates Z: 57 41.071 2.309 0.582 0.550 0.911 0.518 CB 1.571 57 residues pruned to eliminate duplicates Z: 70 52.704 2.344 0.590 0.552 0.957 0.580 CB 1.692 70 residues pruned to eliminate duplicates Z: 11 11.383 2.014 0.419 0.463 0.900 0.400 CA 1.453 11 residues pruned to eliminate duplicates Z: 8 12.640 2.021 0.255 0.730 1.000 0.571 CB 1.531 8 residues pruned to eliminate duplicates Z: 8 21.923 2.060 0.724 0.882 1.000 0.857 CB 1.689 8 residues pruned to eliminate duplicates Z: 13 11.900 1.732 0.280 0.710 0.917 0.667 CA 1.396 10 residues pruned to eliminate duplicates Z: 7 4.007 1.853 0.149 0.584 1.000 0.333 CB 0.709 Z: 21 29.820 2.264 0.317 0.917 1.000 0.800 CB 1.578 21 residues pruned to eliminate duplicates Z: 14 15.655 1.983 0.639 0.745 0.769 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 13 22.769 2.266 0.633 0.894 0.917 0.333 CB 1.391 13 residues pruned to eliminate duplicates Z: 21 22.429 2.136 0.481 0.611 0.950 0.650 CB 1.501 21 residues pruned to eliminate duplicates Z: 12 11.603 2.013 0.827 0.810 0.909 0.455 CB 0.799 12 residues pruned to eliminate duplicates Z: 9 7.395 1.583 0.411 0.908 1.000 0.625 CB 0.832 9 residues pruned to eliminate duplicates Z: 11 8.680 2.061 -0.137 0.908 0.900 0.800 CB 1.217 11 residues pruned to eliminate duplicates Z: 7 4.941 1.635 0.475 0.640 0.667 0.667 CA 1.100 Z: 15 23.739 2.232 0.390 0.849 0.929 0.786 CA 1.632 15 residues pruned to eliminate duplicates Z: 46 32.028 2.301 0.380 0.545 0.889 0.467 CB 1.618 46 residues pruned to eliminate duplicates Z: 15 19.170 2.118 0.499 0.874 0.929 0.714 CB 1.264 15 residues pruned to eliminate duplicates Z: 18 13.963 2.098 0.185 0.478 0.941 0.588 CB 1.480 19 residues pruned to eliminate duplicates Z: 13 12.958 1.978 0.335 0.575 0.833 0.583 CA 1.582 13 residues pruned to eliminate duplicates Z: 11 12.916 2.042 0.232 0.873 0.900 0.800 CB 1.314 11 residues pruned to eliminate duplicates Z: 6 5.345 1.784 0.069 0.860 1.000 0.600 CB 0.921 6 residues pruned to eliminate duplicates Z: 12 9.192 1.969 0.046 0.550 0.909 0.818 CA 1.409 12 residues pruned to eliminate duplicates Z: 71 38.706 2.266 0.360 0.535 0.914 0.629 CB 1.587 71 residues pruned to eliminate duplicates Z: 8 14.321 2.109 0.271 0.877 1.000 0.714 CB 1.467 8 residues pruned to eliminate duplicates Z: 22 18.238 2.216 0.431 0.495 0.857 0.571 CB 1.471 22 residues pruned to eliminate duplicates Z: 6 2.849 1.155 0.076 0.657 1.000 1.000 C 0.886 Z: 16 19.493 1.894 0.442 0.764 1.000 0.733 CB 1.458 16 residues pruned to eliminate duplicates Z: 11 23.275 2.131 0.579 0.812 1.000 0.600 CB 1.666 11 residues pruned to eliminate duplicates Z: 11 6.213 1.629 0.502 0.384 1.000 0.600 CB 0.908 11 residues pruned to eliminate duplicates Z: 24 23.605 2.000 0.485 0.653 1.000 0.739 CB 1.438 24 residues pruned to eliminate duplicates Z: 77 33.964 2.109 0.415 0.526 0.882 0.500 CB 1.443 84 residues pruned to eliminate duplicates Z: 56 36.726 2.171 0.593 0.522 0.909 0.527 CB 1.540 56 residues pruned to eliminate duplicates Z: 23 20.508 1.990 0.746 0.550 0.955 0.409 CB 1.255 23 residues pruned to eliminate duplicates Z: 9 7.318 1.579 0.169 0.913 1.000 0.750 CB 0.992 9 residues pruned to eliminate duplicates Z: 13 16.852 1.962 0.565 0.822 1.000 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 17 32.906 2.231 0.707 0.910 1.000 0.562 CB 1.531 17 residues pruned to eliminate duplicates Z: 28 35.659 2.295 0.919 0.544 0.926 0.481 CB 1.611 28 residues pruned to eliminate duplicates Z: 7 11.633 1.869 0.362 0.706 1.000 0.667 CB 1.546 7 residues pruned to eliminate duplicates Z: 9 14.956 1.954 0.607 0.894 1.000 0.500 CB 1.208 9 residues pruned to eliminate duplicates Z: 20 18.306 2.299 0.482 0.502 0.842 0.684 CB 1.461 20 residues pruned to eliminate duplicates Z: 9 5.892 1.850 0.093 0.540 0.750 0.625 CA 1.321 Z: 11 9.270 2.092 0.238 0.448 1.000 0.700 CB 1.194 12 residues pruned to eliminate duplicates Z: 6 3.688 1.444 0.182 0.704 0.800 0.400 C 1.003 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.768 1.434 0.632 0.317 0.800 0.400 N 0.809 6 residues pruned to eliminate duplicates Z: 16 11.641 2.127 0.377 0.410 0.800 0.467 CB 1.410 16 residues pruned to eliminate duplicates Z: 45 24.569 2.004 0.350 0.617 0.909 0.659 CB 1.348 45 residues pruned to eliminate duplicates Z: 17 13.256 2.155 0.219 0.512 0.875 0.562 CB 1.425 16 residues pruned to eliminate duplicates Z: 9 10.353 1.944 0.271 0.813 0.750 0.625 CA 1.505 9 residues pruned to eliminate duplicates Z: 11 12.960 2.225 0.235 0.584 0.800 0.600 CB 1.720 11 residues pruned to eliminate duplicates Z: 16 15.328 2.220 0.282 0.439 0.933 0.600 CB 1.586 17 residues pruned to eliminate duplicates Z: 9 12.419 1.870 0.539 0.771 0.750 0.500 CA 1.601 9 residues pruned to eliminate duplicates Z: 17 12.417 2.094 0.448 0.415 0.812 0.375 CB 1.377 17 residues pruned to eliminate duplicates Z: 49 22.837 2.036 0.297 0.532 0.917 0.604 CB 1.320 49 residues pruned to eliminate duplicates Z: 52 21.877 1.994 0.266 0.540 0.941 0.549 CB 1.240 52 residues pruned to eliminate duplicates Z: 11 12.614 1.853 0.314 0.748 1.000 0.700 CB 1.313 11 residues pruned to eliminate duplicates Z: 33 18.065 1.984 0.251 0.605 0.906 0.625 CB 1.285 32 residues pruned to eliminate duplicates Z: 14 13.742 2.009 0.032 0.850 1.000 0.769 CA 1.361 14 residues pruned to eliminate duplicates Z: 31 21.454 2.110 0.165 0.621 0.967 0.600 CB 1.471 33 residues pruned to eliminate duplicates Z: 14 14.162 2.021 0.118 0.827 0.923 0.769 CB 1.419 14 residues pruned to eliminate duplicates Z: 32 21.205 1.996 0.294 0.654 0.935 0.645 CB 1.367 32 residues pruned to eliminate duplicates Z: 14 15.058 2.051 0.211 0.844 0.923 0.692 CB 1.355 14 residues pruned to eliminate duplicates Z: 28 16.914 2.010 0.313 0.556 0.963 0.630 CB 1.212 28 residues pruned to eliminate duplicates Z: 51 24.594 2.053 0.382 0.527 0.940 0.540 CB 1.270 51 residues pruned to eliminate duplicates Z: 26 16.892 2.002 0.157 0.641 1.000 0.680 CB 1.278 26 residues pruned to eliminate duplicates Z: 20 14.384 2.023 0.042 0.755 0.947 0.895 CB 1.317 20 residues pruned to eliminate duplicates Z: 17 14.451 2.114 0.241 0.729 0.938 0.812 CB 1.195 17 residues pruned to eliminate duplicates Z: 15 16.995 2.119 0.341 0.757 1.000 0.929 CB 1.271 15 residues pruned to eliminate duplicates Z: 39 18.156 1.999 0.288 0.556 0.921 0.658 CB 1.176 39 residues pruned to eliminate duplicates Z: 35 19.355 2.020 0.300 0.591 0.912 0.765 CB 1.270 35 residues pruned to eliminate duplicates Z: 58 25.103 2.091 0.326 0.486 0.877 0.579 CB 1.386 58 residues pruned to eliminate duplicates Z: 29 18.397 2.060 0.266 0.620 0.964 0.536 CB 1.234 29 residues pruned to eliminate duplicates Z: 34 19.589 1.995 0.382 0.560 0.909 0.485 CB 1.284 33 residues pruned to eliminate duplicates Z: 9 10.285 2.119 0.576 0.583 0.625 0.375 N 1.609 10 residues pruned to eliminate duplicates Z: 6 8.743 2.096 0.484 0.424 1.000 0.200 CB 1.362 6 residues pruned to eliminate duplicates Z: 17 14.647 1.927 0.540 0.404 0.938 0.250 CB 1.456 17 residues pruned to eliminate duplicates Z: 20 9.607 1.766 0.330 0.368 0.947 0.316 CB 1.141 20 residues pruned to eliminate duplicates Z: 15 13.195 1.976 0.658 0.439 0.857 0.286 CB 1.337 15 residues pruned to eliminate duplicates Z: 12 16.757 2.138 0.734 0.591 0.818 0.364 CB 1.526 12 residues pruned to eliminate duplicates Z: 15 22.743 1.983 0.519 0.835 1.000 0.857 CB 1.511 15 residues pruned to eliminate duplicates Z: 15 20.553 1.979 0.398 0.801 1.000 0.643 CB 1.526 15 residues pruned to eliminate duplicates Z: 17 20.544 1.957 0.511 0.767 0.938 0.750 CB 1.463 17 residues pruned to eliminate duplicates Z: 18 20.605 1.907 0.764 0.657 0.941 0.529 CB 1.364 18 residues pruned to eliminate duplicates Z: 17 18.382 1.924 0.717 0.713 0.875 0.438 CB 1.310 17 residues pruned to eliminate duplicates Z: 16 19.381 1.924 0.659 0.811 0.933 0.267 CB 1.282 16 residues pruned to eliminate duplicates Z: 15 25.472 1.970 1.000 0.828 0.929 0.429 CB 1.401 15 residues pruned to eliminate duplicates Z: 16 20.808 1.959 0.616 0.767 0.933 0.400 CB 1.436 16 residues pruned to eliminate duplicates Z: 14 24.380 1.963 0.784 0.858 0.923 0.308 CB 1.541 14 residues pruned to eliminate duplicates Z: 16 19.876 1.915 0.752 0.747 0.933 0.400 CB 1.315 16 residues pruned to eliminate duplicates Z: 17 17.494 1.915 0.654 0.713 0.875 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 16 23.553 1.944 0.664 0.802 1.000 0.600 CB 1.444 16 residues pruned to eliminate duplicates Z: 12 13.671 1.805 0.763 0.617 0.818 0.455 CB 1.417 12 residues pruned to eliminate duplicates Z: 13 20.225 1.905 0.685 0.863 0.917 0.417 CB 1.457 13 residues pruned to eliminate duplicates Z: 6 3.256 1.478 0.583 0.368 0.800 0.800 CB 0.897 6 residues pruned to eliminate duplicates Z: 11 13.554 2.184 0.419 0.579 0.800 0.700 CB 1.603 11 residues pruned to eliminate duplicates Z: 9 10.275 2.236 0.258 0.466 0.875 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 59 44.552 2.352 0.465 0.583 0.914 0.603 CB 1.715 59 residues pruned to eliminate duplicates Z: 26 22.516 2.322 0.371 0.498 0.840 0.520 CB 1.688 26 residues pruned to eliminate duplicates Z: 28 31.247 2.401 0.503 0.556 0.926 0.630 CB 1.704 28 residues pruned to eliminate duplicates Z: 85 43.229 2.317 0.435 0.521 0.869 0.571 CB 1.599 85 residues pruned to eliminate duplicates Z: 83 47.748 2.354 0.425 0.543 0.939 0.634 CB 1.605 83 residues pruned to eliminate duplicates Z: 75 45.952 2.367 0.548 0.533 0.892 0.527 CB 1.582 75 residues pruned to eliminate duplicates Z: 24 26.856 2.366 0.548 0.513 0.870 0.652 CB 1.736 24 residues pruned to eliminate duplicates Z: 54 42.523 2.349 0.549 0.570 0.849 0.585 CB 1.766 54 residues pruned to eliminate duplicates Z: 53 49.722 2.412 0.567 0.567 0.942 0.596 CB 1.814 53 residues pruned to eliminate duplicates Z: 54 49.656 2.355 0.630 0.577 0.962 0.604 CB 1.714 54 residues pruned to eliminate duplicates Z: 51 49.785 2.415 0.572 0.621 0.960 0.580 CB 1.723 51 residues pruned to eliminate duplicates Z: 27 27.496 2.236 0.666 0.500 0.923 0.692 CB 1.568 27 residues pruned to eliminate duplicates Z: 65 52.255 2.370 0.608 0.571 0.938 0.672 CB 1.707 65 residues pruned to eliminate duplicates Z: 84 52.143 2.335 0.551 0.556 0.928 0.614 CB 1.613 84 residues pruned to eliminate duplicates Z: 53 49.151 2.387 0.692 0.573 0.904 0.577 CB 1.740 53 residues pruned to eliminate duplicates Z: 29 25.301 2.311 0.551 0.465 0.893 0.571 CB 1.548 29 residues pruned to eliminate duplicates Z: 84 49.159 2.345 0.585 0.524 0.892 0.614 CB 1.590 84 residues pruned to eliminate duplicates Z: 64 49.166 2.393 0.543 0.583 0.905 0.587 CB 1.712 64 residues pruned to eliminate duplicates Z: 52 50.944 2.409 0.663 0.612 0.902 0.608 CB 1.775 52 residues pruned to eliminate duplicates Z: 71 50.934 2.406 0.517 0.546 0.957 0.557 CB 1.666 71 residues pruned to eliminate duplicates Z: 60 51.189 2.365 0.597 0.576 0.966 0.695 CB 1.697 60 residues pruned to eliminate duplicates Z: 75 47.014 2.395 0.410 0.518 0.959 0.581 CB 1.657 75 residues pruned to eliminate duplicates Z: 54 52.226 2.436 0.622 0.574 0.962 0.642 CB 1.757 54 residues pruned to eliminate duplicates Z: 66 46.303 2.336 0.612 0.568 0.923 0.554 CB 1.546 66 residues pruned to eliminate duplicates Z: 57 50.465 2.416 0.585 0.556 0.964 0.589 CB 1.729 57 residues pruned to eliminate duplicates Z: 45 46.793 2.392 0.633 0.586 0.932 0.614 CB 1.785 45 residues pruned to eliminate duplicates Z: 63 47.293 2.328 0.621 0.539 0.935 0.613 CB 1.637 63 residues pruned to eliminate duplicates Z: 42 48.581 2.422 0.694 0.615 0.927 0.463 CA 1.790 42 residues pruned to eliminate duplicates Z: 52 48.045 2.410 0.588 0.570 0.922 0.667 CB 1.783 52 residues pruned to eliminate duplicates Z: 52 50.210 2.457 0.581 0.587 0.941 0.529 CB 1.769 52 residues pruned to eliminate duplicates Z: 84 50.575 2.315 0.501 0.554 0.952 0.602 CB 1.592 84 residues pruned to eliminate duplicates Z: 153 63.851 2.358 0.375 0.553 0.914 0.612 CB 1.659 153 residues pruned to eliminate duplicates Z: 48 49.492 2.425 0.731 0.588 0.894 0.511 CB 1.768 48 residues pruned to eliminate duplicates Z: 40 55.537 2.481 0.792 0.622 0.949 0.718 CB 1.879 40 residues pruned to eliminate duplicates Z: 58 50.756 2.469 0.555 0.586 0.947 0.649 CB 1.702 58 residues pruned to eliminate duplicates Z: 47 48.977 2.442 0.620 0.596 0.935 0.652 CB 1.781 47 residues pruned to eliminate duplicates Z: 53 52.952 2.459 0.591 0.591 0.962 0.596 CB 1.788 53 residues pruned to eliminate duplicates Z: 73 47.736 2.389 0.470 0.541 0.931 0.583 CB 1.653 73 residues pruned to eliminate duplicates Z: 84 51.938 2.351 0.542 0.535 0.940 0.651 CB 1.616 84 residues pruned to eliminate duplicates Z: 68 48.997 2.382 0.631 0.526 0.940 0.597 CB 1.598 68 residues pruned to eliminate duplicates Z: 105 51.888 2.357 0.384 0.507 0.933 0.596 CB 1.661 105 residues pruned to eliminate duplicates Z: 83 43.994 2.348 0.404 0.532 0.902 0.707 CB 1.583 83 residues pruned to eliminate duplicates Z: 69 48.027 2.368 0.554 0.553 0.882 0.662 CB 1.704 69 residues pruned to eliminate duplicates Z: 55 48.351 2.396 0.616 0.570 0.926 0.630 CB 1.714 55 residues pruned to eliminate duplicates Z: 18 14.211 2.159 0.452 0.488 0.882 0.647 CB 1.261 18 residues pruned to eliminate duplicates Z: 156 62.353 2.359 0.356 0.531 0.916 0.632 CB 1.658 156 residues pruned to eliminate duplicates Z: 153 65.723 2.354 0.470 0.534 0.901 0.632 CB 1.653 153 residues pruned to eliminate duplicates Z: 68 42.251 2.366 0.474 0.501 0.910 0.537 CB 1.625 68 residues pruned to eliminate duplicates Z: 61 50.466 2.415 0.612 0.546 0.933 0.600 CB 1.713 61 residues pruned to eliminate duplicates Z: 13 14.220 2.170 0.481 0.585 0.917 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 11 16.362 2.213 0.611 0.480 1.000 0.800 CB 1.480 11 residues pruned to eliminate duplicates Z: 74 50.964 2.387 0.623 0.538 0.890 0.616 CB 1.666 74 residues pruned to eliminate duplicates Z: 64 55.060 2.375 0.608 0.589 0.952 0.635 CB 1.752 64 residues pruned to eliminate duplicates Z: 53 54.705 2.458 0.694 0.573 0.962 0.673 CB 1.765 53 residues pruned to eliminate duplicates Z: 32 16.543 2.155 0.245 0.426 0.935 0.484 CB 1.279 32 residues pruned to eliminate duplicates Z: 33 18.091 2.236 0.245 0.408 0.844 0.469 CB 1.500 33 residues pruned to eliminate duplicates Z: 21 16.295 2.235 0.368 0.422 0.950 0.400 CB 1.360 21 residues pruned to eliminate duplicates Z: 83 47.317 2.372 0.497 0.517 0.890 0.646 CB 1.626 83 residues pruned to eliminate duplicates Z: 69 25.679 2.253 0.190 0.388 0.868 0.515 CB 1.509 69 residues pruned to eliminate duplicates Z: 86 49.298 2.387 0.469 0.519 0.906 0.588 CB 1.653 86 residues pruned to eliminate duplicates Z: 107 54.733 2.347 0.444 0.499 0.925 0.566 CB 1.698 107 residues pruned to eliminate duplicates Z: 153 60.265 2.313 0.456 0.504 0.901 0.553 CB 1.604 153 residues pruned to eliminate duplicates Z: 99 49.424 2.327 0.515 0.505 0.888 0.520 CB 1.588 99 residues pruned to eliminate duplicates Z: 10 9.465 2.302 0.098 0.406 0.889 0.444 CA 1.550 10 residues pruned to eliminate duplicates Z: 26 9.974 1.957 0.205 0.348 0.840 0.520 CB 1.187 26 residues pruned to eliminate duplicates Z: 122 55.365 2.331 0.417 0.517 0.942 0.562 CB 1.590 122 residues pruned to eliminate duplicates Z: 80 50.020 2.343 0.557 0.503 0.937 0.481 CB 1.641 80 residues pruned to eliminate duplicates Z: 31 15.268 2.111 0.222 0.428 0.800 0.333 CB 1.456 31 residues pruned to eliminate duplicates Z: 156 62.038 2.342 0.383 0.516 0.916 0.574 CB 1.653 156 residues pruned to eliminate duplicates Z: 96 52.643 2.354 0.448 0.531 0.916 0.600 CB 1.679 96 residues pruned to eliminate duplicates Z: 42 23.659 2.307 0.326 0.367 0.878 0.512 CB 1.586 42 residues pruned to eliminate duplicates Z: 102 46.052 2.330 0.312 0.509 0.931 0.624 CB 1.596 102 residues pruned to eliminate duplicates Z: 45 26.230 2.288 0.301 0.460 0.886 0.591 CB 1.562 45 residues pruned to eliminate duplicates Z: 40 19.564 2.217 0.398 0.369 0.821 0.410 CB 1.417 40 residues pruned to eliminate duplicates Z: 22 15.237 2.157 0.318 0.469 0.857 0.429 CB 1.408 22 residues pruned to eliminate duplicates Z: 166 65.577 2.340 0.511 0.525 0.891 0.576 CB 1.582 166 residues pruned to eliminate duplicates Z: 7 5.677 2.071 0.565 0.355 0.667 0.500 CB 1.255 7 residues pruned to eliminate duplicates Z: 154 60.149 2.333 0.432 0.525 0.869 0.562 CB 1.633 154 residues pruned to eliminate duplicates Z: 33 17.647 2.243 0.230 0.373 0.875 0.500 CB 1.480 33 residues pruned to eliminate duplicates Z: 144 61.103 2.371 0.408 0.530 0.888 0.580 CB 1.674 144 residues pruned to eliminate duplicates Z: 99 44.302 2.357 0.310 0.477 0.908 0.520 CB 1.633 99 residues pruned to eliminate duplicates Z: 61 32.679 2.314 0.400 0.490 0.850 0.517 CB 1.548 61 residues pruned to eliminate duplicates Z: 70 31.340 2.297 0.393 0.433 0.884 0.551 CB 1.429 70 residues pruned to eliminate duplicates Z: 29 23.454 2.299 0.409 0.424 0.857 0.607 CB 1.727 29 residues pruned to eliminate duplicates Z: 126 53.560 2.352 0.410 0.493 0.920 0.528 CB 1.581 126 residues pruned to eliminate duplicates Z: 60 27.326 2.229 0.292 0.430 0.881 0.525 CB 1.507 60 residues pruned to eliminate duplicates Z: 138 62.087 2.354 0.483 0.532 0.898 0.599 CB 1.640 138 residues pruned to eliminate duplicates Z: 35 19.676 2.268 0.356 0.378 0.853 0.324 CB 1.465 35 residues pruned to eliminate duplicates Z: 108 57.095 2.387 0.505 0.554 0.907 0.598 CB 1.608 108 residues pruned to eliminate duplicates Z: 77 33.237 2.286 0.277 0.455 0.934 0.579 CB 1.464 77 residues pruned to eliminate duplicates Z: 76 39.780 2.285 0.333 0.537 0.920 0.573 CB 1.580 76 residues pruned to eliminate duplicates Z: 28 23.786 2.221 0.368 0.638 0.889 0.556 CB 1.489 28 residues pruned to eliminate duplicates Z: 56 39.889 2.345 0.364 0.621 0.909 0.636 CB 1.650 56 residues pruned to eliminate duplicates Z: 60 28.869 2.282 0.241 0.504 0.864 0.593 CB 1.530 60 residues pruned to eliminate duplicates Z: 16 24.189 2.307 0.448 0.821 0.933 0.733 CB 1.517 16 residues pruned to eliminate duplicates Z: 17 23.573 2.366 0.219 0.784 0.875 0.812 CB 1.818 17 residues pruned to eliminate duplicates Z: 28 24.722 2.358 0.204 0.647 0.889 0.630 CB 1.645 28 residues pruned to eliminate duplicates Z: 28 28.759 2.357 0.322 0.658 0.963 0.667 CB 1.592 28 residues pruned to eliminate duplicates Z: 100 43.721 2.300 0.357 0.526 0.889 0.606 CB 1.544 100 residues pruned to eliminate duplicates Z: 19 27.954 2.420 0.460 0.751 0.889 0.722 CB 1.677 19 residues pruned to eliminate duplicates Z: 94 42.073 2.245 0.400 0.524 0.903 0.559 CB 1.502 94 residues pruned to eliminate duplicates Z: 28 28.148 2.299 0.511 0.648 0.963 0.704 CB 1.411 28 residues pruned to eliminate duplicates Z: 32 22.155 2.220 0.408 0.558 0.839 0.516 CB 1.435 32 residues pruned to eliminate duplicates Z: 56 43.815 2.355 0.485 0.620 0.927 0.582 CB 1.626 56 residues pruned to eliminate duplicates Z: 49 37.519 2.323 0.420 0.656 0.896 0.604 CB 1.585 49 residues pruned to eliminate duplicates Z: 49 40.757 2.344 0.397 0.649 0.938 0.604 CB 1.668 49 residues pruned to eliminate duplicates Z: 29 22.947 2.323 0.351 0.577 0.857 0.571 CB 1.496 29 residues pruned to eliminate duplicates Z: 57 33.047 2.266 0.384 0.543 0.857 0.446 CB 1.575 57 residues pruned to eliminate duplicates Z: 46 38.391 2.306 0.502 0.625 0.911 0.556 CB 1.612 46 residues pruned to eliminate duplicates Z: 13 8.698 2.200 0.119 0.296 0.833 0.500 CB 1.539 13 residues pruned to eliminate duplicates Z: 56 49.760 2.402 0.535 0.635 0.945 0.636 CB 1.696 56 residues pruned to eliminate duplicates Z: 29 29.266 2.360 0.512 0.632 0.929 0.464 CB 1.474 29 residues pruned to eliminate duplicates Z: 40 32.760 2.323 0.291 0.560 0.949 0.513 CB 1.739 40 residues pruned to eliminate duplicates Z: 33 28.848 2.313 0.462 0.615 0.906 0.656 CB 1.492 33 residues pruned to eliminate duplicates Z: 33 31.647 2.377 0.492 0.600 0.906 0.500 CB 1.582 33 residues pruned to eliminate duplicates Z: 95 45.878 2.290 0.510 0.525 0.883 0.511 CB 1.512 95 residues pruned to eliminate duplicates Z: 70 39.003 2.308 0.372 0.564 0.913 0.609 CB 1.526 70 residues pruned to eliminate duplicates Z: 39 32.286 2.339 0.386 0.563 0.921 0.632 CB 1.650 39 residues pruned to eliminate duplicates Z: 91 46.713 2.313 0.467 0.526 0.911 0.522 CB 1.552 91 residues pruned to eliminate duplicates Z: 30 27.356 2.266 0.338 0.559 0.931 0.690 CB 1.699 30 residues pruned to eliminate duplicates Z: 39 29.424 2.364 0.256 0.527 0.947 0.605 CB 1.653 39 residues pruned to eliminate duplicates Z: 56 44.105 2.385 0.499 0.612 0.927 0.545 CB 1.614 56 residues pruned to eliminate duplicates Z: 68 41.894 2.352 0.499 0.552 0.896 0.582 CB 1.541 68 residues pruned to eliminate duplicates Z: 56 46.434 2.375 0.553 0.619 0.909 0.509 CB 1.669 56 residues pruned to eliminate duplicates Z: 144 64.928 2.357 0.557 0.545 0.895 0.538 CB 1.581 144 residues pruned to eliminate duplicates Z: 33 25.855 2.228 0.378 0.535 0.938 0.531 CB 1.535 33 residues pruned to eliminate duplicates Z: 58 46.302 2.349 0.544 0.591 0.947 0.579 CB 1.636 58 residues pruned to eliminate duplicates Z: 39 31.226 2.352 0.349 0.567 0.921 0.658 CB 1.624 39 residues pruned to eliminate duplicates Z: 77 43.708 2.271 0.516 0.566 0.895 0.526 CB 1.527 77 residues pruned to eliminate duplicates Z: 48 38.399 2.336 0.483 0.643 0.915 0.532 CB 1.546 48 residues pruned to eliminate duplicates Z: 61 38.816 2.287 0.561 0.591 0.833 0.533 CB 1.544 61 residues pruned to eliminate duplicates Z: 89 46.522 2.318 0.463 0.550 0.886 0.534 CB 1.571 89 residues pruned to eliminate duplicates Z: 56 45.187 2.331 0.627 0.633 0.909 0.545 CB 1.560 56 residues pruned to eliminate duplicates Z: 32 31.691 2.343 0.499 0.582 0.935 0.516 CB 1.601 32 residues pruned to eliminate duplicates Z: 90 45.856 2.328 0.544 0.537 0.854 0.449 CB 1.527 90 residues pruned to eliminate duplicates Z: 87 47.355 2.319 0.559 0.534 0.872 0.453 CB 1.566 87 residues pruned to eliminate duplicates Z: 57 44.613 2.331 0.602 0.587 0.893 0.500 CB 1.645 57 residues pruned to eliminate duplicates Z: 56 48.109 2.371 0.587 0.604 0.945 0.509 CB 1.652 56 residues pruned to eliminate duplicates Z: 54 45.609 2.406 0.561 0.636 0.906 0.528 CB 1.621 54 residues pruned to eliminate duplicates Z: 30 30.422 2.279 0.521 0.568 0.931 0.483 CB 1.638 30 residues pruned to eliminate duplicates Z: 42 30.195 2.283 0.495 0.486 0.902 0.415 CB 1.553 42 residues pruned to eliminate duplicates Z: 93 47.388 2.276 0.559 0.511 0.902 0.457 CB 1.526 93 residues pruned to eliminate duplicates Z: 42 30.174 2.261 0.475 0.485 0.902 0.585 CB 1.590 42 residues pruned to eliminate duplicates Z: 20 25.255 2.380 0.622 0.578 0.842 0.632 CB 1.653 20 residues pruned to eliminate duplicates Z: 56 49.469 2.404 0.594 0.615 0.927 0.582 CB 1.683 56 residues pruned to eliminate duplicates Z: 13 9.500 2.180 0.347 0.376 0.833 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 12 15.401 2.292 0.492 0.426 0.909 0.636 CB 1.613 12 residues pruned to eliminate duplicates Z: 12 13.677 2.259 0.480 0.420 0.909 0.727 CB 1.476 12 residues pruned to eliminate duplicates Z: 13 12.349 2.227 0.414 0.498 0.833 0.583 CB 1.362 13 residues pruned to eliminate duplicates Z: 13 13.865 2.222 0.429 0.512 0.917 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 13 14.266 2.226 0.441 0.510 0.917 0.917 CB 1.387 13 residues pruned to eliminate duplicates Z: 14 15.517 2.197 0.407 0.578 0.846 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 14 14.820 2.069 0.514 0.625 0.923 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 12 16.014 2.275 0.503 0.578 0.818 0.727 CB 1.601 12 residues pruned to eliminate duplicates Z: 13 14.318 2.158 0.412 0.533 0.917 0.583 CB 1.431 13 residues pruned to eliminate duplicates Z: 26 24.164 2.175 0.576 0.514 0.920 0.600 CB 1.512 26 residues pruned to eliminate duplicates Z: 17 13.702 1.975 0.422 0.499 0.875 0.438 CB 1.395 17 residues pruned to eliminate duplicates Z: 26 21.958 2.180 0.510 0.515 0.880 0.560 CB 1.493 26 residues pruned to eliminate duplicates Z: 50 33.877 2.077 0.576 0.589 1.000 0.592 CB 1.358 50 residues pruned to eliminate duplicates Z: 23 22.376 2.174 0.663 0.505 0.818 0.591 CA 1.605 23 residues pruned to eliminate duplicates Z: 28 26.369 2.093 0.634 0.487 0.963 0.593 CB 1.562 28 residues pruned to eliminate duplicates Z: 36 29.631 2.081 0.550 0.589 0.943 0.657 CB 1.512 36 residues pruned to eliminate duplicates Z: 23 27.229 2.180 0.608 0.507 0.955 0.682 CB 1.723 23 residues pruned to eliminate duplicates Z: 36 32.501 2.109 0.651 0.575 0.971 0.629 CB 1.511 36 residues pruned to eliminate duplicates Z: 36 28.756 2.077 0.613 0.579 0.943 0.743 CB 1.426 36 residues pruned to eliminate duplicates Z: 34 33.993 2.172 0.679 0.620 1.000 0.697 CB 1.449 34 residues pruned to eliminate duplicates Z: 36 27.397 2.088 0.482 0.574 0.971 0.714 CB 1.434 36 residues pruned to eliminate duplicates Z: 48 28.312 2.116 0.467 0.512 0.894 0.638 CB 1.470 48 residues pruned to eliminate duplicates Z: 33 30.626 2.152 0.549 0.577 1.000 0.719 CB 1.507 33 residues pruned to eliminate duplicates Z: 35 29.340 2.097 0.668 0.580 0.941 0.706 CB 1.415 35 residues pruned to eliminate duplicates Z: 23 27.695 2.117 0.679 0.527 1.000 0.636 CB 1.618 23 residues pruned to eliminate duplicates Z: 35 31.408 2.107 0.695 0.597 0.971 0.735 CB 1.415 35 residues pruned to eliminate duplicates Z: 12 17.063 2.012 0.423 0.608 0.909 0.545 N 1.783 12 residues pruned to eliminate duplicates Z: 26 24.070 2.098 0.741 0.427 0.920 0.640 CB 1.545 26 residues pruned to eliminate duplicates Z: 34 28.975 2.114 0.551 0.591 0.970 0.758 CB 1.454 34 residues pruned to eliminate duplicates Z: 13 20.884 1.920 0.725 0.580 1.000 0.667 CA 1.686 13 residues pruned to eliminate duplicates Z: 24 26.982 2.098 0.866 0.508 0.870 0.609 CB 1.638 24 residues pruned to eliminate duplicates Z: 40 36.935 2.096 0.723 0.683 0.949 0.667 CB 1.459 40 residues pruned to eliminate duplicates Z: 50 31.820 2.070 0.656 0.598 0.898 0.673 CB 1.344 50 residues pruned to eliminate duplicates Z: 24 29.102 2.222 0.908 0.483 0.957 0.609 CB 1.522 24 residues pruned to eliminate duplicates Z: 19 19.166 2.040 0.688 0.438 0.833 0.778 CA 1.677 19 residues pruned to eliminate duplicates Z: 25 22.362 2.036 0.429 0.614 0.917 0.750 CB 1.537 25 residues pruned to eliminate duplicates Z: 13 14.715 2.011 0.428 0.811 1.000 0.583 CB 1.128 13 residues pruned to eliminate duplicates Z: 38 32.675 2.235 0.387 0.609 0.946 0.649 CB 1.652 38 residues pruned to eliminate duplicates Z: 10 16.185 2.079 0.547 0.814 1.000 0.889 CB 1.277 10 residues pruned to eliminate duplicates Z: 12 16.500 2.080 0.412 0.915 1.000 0.909 CB 1.197 12 residues pruned to eliminate duplicates Z: 14 10.529 2.022 0.410 0.625 0.846 0.538 CB 1.076 14 residues pruned to eliminate duplicates Z: 39 34.006 2.226 0.537 0.597 0.947 0.579 CB 1.552 39 residues pruned to eliminate duplicates Z: 12 21.047 2.064 0.749 0.901 1.000 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 31 26.227 2.175 0.671 0.647 0.833 0.500 CB 1.379 31 residues pruned to eliminate duplicates Z: 8 14.498 2.125 0.983 0.745 0.714 0.286 CB 1.463 8 residues pruned to eliminate duplicates Z: 36 24.785 2.065 0.600 0.554 0.857 0.571 CB 1.403 36 residues pruned to eliminate duplicates Z: 29 26.877 2.164 0.614 0.610 0.893 0.500 CB 1.467 29 residues pruned to eliminate duplicates Z: 30 25.494 2.135 0.578 0.594 0.897 0.586 CB 1.433 30 residues pruned to eliminate duplicates Z: 28 24.919 2.137 0.670 0.579 0.852 0.593 CB 1.462 28 residues pruned to eliminate duplicates Z: 22 20.725 2.099 0.543 0.560 0.905 0.524 CB 1.456 22 residues pruned to eliminate duplicates Z: 34 23.950 2.076 0.617 0.545 0.848 0.606 CB 1.401 34 residues pruned to eliminate duplicates Z: 35 24.098 2.033 0.637 0.579 0.824 0.471 CB 1.397 35 residues pruned to eliminate duplicates Z: 20 27.582 2.214 0.674 0.653 0.947 0.474 CB 1.562 20 residues pruned to eliminate duplicates Z: 11 20.003 1.998 1.071 0.691 1.000 0.500 CB 1.283 11 residues pruned to eliminate duplicates Z: 29 25.960 2.086 0.775 0.534 0.964 0.464 CB 1.329 27 residues pruned to eliminate duplicates 6 1.858 1.513 0.499 0.254 0.800 0.800 CA 0.607 ? Z: 10 13.152 2.046 0.651 0.540 0.889 0.333 CA 1.404 10 residues pruned to eliminate duplicates Z: 34 26.498 2.111 0.595 0.589 0.879 0.515 CB 1.432 36 residues pruned to eliminate duplicates Z: 8 10.757 2.108 0.309 0.614 0.857 0.286 CA 1.542 8 residues pruned to eliminate duplicates Z: 35 23.938 2.068 0.455 0.578 0.912 0.500 CB 1.388 35 residues pruned to eliminate duplicates Z: 28 21.312 2.086 0.566 0.499 0.926 0.593 CB 1.357 21 residues pruned to eliminate duplicates Z: 6 21.374 2.427 0.677 0.745 1.000 0.600 CB 1.887 6 residues pruned to eliminate duplicates Z: 30 27.024 2.144 0.610 0.619 0.897 0.690 CB 1.449 30 residues pruned to eliminate duplicates Z: 22 20.973 2.233 0.324 0.700 0.810 0.476 CB 1.594 22 residues pruned to eliminate duplicates Z: 27 20.759 2.125 0.410 0.667 0.846 0.615 CB 1.377 27 residues pruned to eliminate duplicates Z: 25 18.107 2.162 0.315 0.665 0.833 0.583 CB 1.339 25 residues pruned to eliminate duplicates Z: 24 28.996 2.262 0.766 0.707 0.870 0.522 CB 1.441 24 residues pruned to eliminate duplicates Z: 25 28.736 2.205 0.853 0.674 0.875 0.417 CB 1.398 25 residues pruned to eliminate duplicates Z: 28 24.052 2.090 0.630 0.615 0.852 0.370 CB 1.431 28 residues pruned to eliminate duplicates Z: 27 26.515 2.114 0.708 0.690 0.923 0.462 CB 1.311 27 residues pruned to eliminate duplicates Z: 26 25.385 2.156 0.688 0.674 0.880 0.400 CB 1.350 26 residues pruned to eliminate duplicates Z: 15 20.056 2.100 0.900 0.933 0.714 0.286 CB 1.312 15 residues pruned to eliminate duplicates Z: 24 28.122 2.242 0.654 0.707 0.913 0.391 CB 1.435 24 residues pruned to eliminate duplicates Z: 25 30.452 2.187 0.732 0.698 0.958 0.458 CB 1.429 25 residues pruned to eliminate duplicates Z: 26 29.052 2.190 0.830 0.674 0.880 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 28 24.077 2.099 0.635 0.657 0.852 0.519 CB 1.369 27 residues pruned to eliminate duplicates Z: 13 30.144 2.245 0.908 0.905 0.917 0.500 CB 1.577 13 residues pruned to eliminate duplicates Z: 25 27.807 2.227 0.593 0.685 0.917 0.583 CB 1.473 25 residues pruned to eliminate duplicates Z: 20 21.572 2.213 0.571 0.636 0.895 0.368 CB 1.401 20 residues pruned to eliminate duplicates Z: 25 25.717 2.203 0.689 0.681 0.875 0.375 CB 1.366 25 residues pruned to eliminate duplicates Z: 9 6.322 2.021 0.379 0.456 0.875 0.625 CB 0.959 9 residues pruned to eliminate duplicates Z: 25 22.739 2.176 0.471 0.678 0.917 0.375 CB 1.342 25 residues pruned to eliminate duplicates Z: 9 5.738 1.936 0.303 0.372 1.000 0.750 CB 0.922 9 residues pruned to eliminate duplicates Z: 74 32.400 2.137 0.404 0.488 0.849 0.507 CB 1.506 72 residues pruned to eliminate duplicates Z: 7 5.895 1.890 0.051 0.463 1.000 0.500 CB 1.259 7 residues pruned to eliminate duplicates Z: 41 31.131 2.361 0.366 0.480 0.900 0.600 CA 1.730 41 residues pruned to eliminate duplicates Z: 71 43.984 2.349 0.466 0.527 0.929 0.557 CB 1.602 71 residues pruned to eliminate duplicates Z: 71 43.222 2.358 0.479 0.513 0.871 0.571 CB 1.677 71 residues pruned to eliminate duplicates Z: 49 32.957 2.289 0.369 0.568 0.875 0.604 CA 1.624 49 residues pruned to eliminate duplicates Z: 71 45.599 2.359 0.524 0.517 0.900 0.471 CB 1.656 71 residues pruned to eliminate duplicates Z: 71 43.209 2.329 0.446 0.525 0.929 0.571 CB 1.612 71 residues pruned to eliminate duplicates Z: 58 42.376 2.325 0.461 0.557 0.930 0.632 CB 1.681 58 residues pruned to eliminate duplicates Z: 46 38.171 2.298 0.519 0.551 0.956 0.467 CB 1.623 46 residues pruned to eliminate duplicates Z: 70 41.006 2.294 0.359 0.508 0.928 0.609 CB 1.695 70 residues pruned to eliminate duplicates Z: 60 43.996 2.341 0.472 0.577 0.932 0.678 CB 1.655 60 residues pruned to eliminate duplicates Z: 20 20.149 2.178 0.380 0.598 0.947 0.842 CB 1.478 20 residues pruned to eliminate duplicates Z: 71 42.993 2.322 0.462 0.531 0.900 0.471 CB 1.631 71 residues pruned to eliminate duplicates Z: 61 41.546 2.305 0.481 0.506 0.950 0.533 CB 1.645 61 residues pruned to eliminate duplicates Z: 61 39.902 2.289 0.417 0.548 0.933 0.667 CB 1.624 61 residues pruned to eliminate duplicates Z: 61 48.321 2.337 0.576 0.548 0.950 0.433 CB 1.701 61 residues pruned to eliminate duplicates Z: 69 37.987 2.307 0.453 0.479 0.897 0.559 CB 1.565 69 residues pruned to eliminate duplicates Z: 70 42.157 2.308 0.455 0.509 0.928 0.565 CB 1.614 70 residues pruned to eliminate duplicates Z: 26 20.875 2.196 0.755 0.498 0.800 0.480 CB 1.357 26 residues pruned to eliminate duplicates Z: 25 23.251 2.291 0.293 0.542 1.000 0.667 CB 1.538 25 residues pruned to eliminate duplicates Z: 24 18.621 2.274 0.480 0.514 0.826 0.609 CB 1.378 24 residues pruned to eliminate duplicates Z: 25 22.280 2.342 0.542 0.527 0.833 0.583 CB 1.472 25 residues pruned to eliminate duplicates Z: 52 31.247 2.289 0.380 0.480 0.882 0.490 CB 1.601 52 residues pruned to eliminate duplicates Z: 71 41.907 2.309 0.469 0.508 0.929 0.586 CB 1.577 71 residues pruned to eliminate duplicates Z: 61 46.420 2.323 0.560 0.530 0.950 0.567 CB 1.690 61 residues pruned to eliminate duplicates Z: 72 43.092 2.347 0.476 0.510 0.901 0.577 CB 1.621 72 residues pruned to eliminate duplicates Z: 61 45.687 2.319 0.529 0.540 0.933 0.583 CB 1.713 61 residues pruned to eliminate duplicates Z: 59 35.134 2.278 0.447 0.479 0.914 0.483 CB 1.565 59 residues pruned to eliminate duplicates Z: 71 43.852 2.357 0.477 0.507 0.943 0.614 CB 1.585 71 residues pruned to eliminate duplicates Z: 65 45.353 2.313 0.527 0.534 0.953 0.516 CB 1.629 65 residues pruned to eliminate duplicates Z: 38 37.327 2.327 0.471 0.543 0.973 0.541 CA 1.767 38 residues pruned to eliminate duplicates Z: 67 42.815 2.353 0.476 0.521 0.924 0.606 CB 1.608 67 residues pruned to eliminate duplicates Z: 65 41.302 2.319 0.487 0.537 0.938 0.531 CB 1.540 65 residues pruned to eliminate duplicates Z: 62 43.927 2.356 0.460 0.539 0.934 0.607 CB 1.684 62 residues pruned to eliminate duplicates Z: 48 45.296 2.337 0.668 0.582 0.936 0.638 CB 1.674 48 residues pruned to eliminate duplicates Z: 71 41.580 2.319 0.523 0.522 0.871 0.543 CB 1.580 71 residues pruned to eliminate duplicates Z: 57 44.613 2.342 0.524 0.544 0.946 0.554 CB 1.689 57 residues pruned to eliminate duplicates Z: 49 34.539 2.325 0.423 0.506 0.958 0.438 CB 1.563 49 residues pruned to eliminate duplicates Z: 72 44.049 2.303 0.501 0.524 0.930 0.465 CB 1.590 72 residues pruned to eliminate duplicates Z: 72 41.702 2.318 0.497 0.509 0.887 0.479 CB 1.593 72 residues pruned to eliminate duplicates Z: 62 38.234 2.254 0.454 0.520 0.951 0.557 CB 1.539 62 residues pruned to eliminate duplicates Z: 69 35.622 2.306 0.419 0.461 0.853 0.559 CB 1.610 69 residues pruned to eliminate duplicates Z: 19 17.420 2.287 0.206 0.493 0.889 0.500 CB 1.686 19 residues pruned to eliminate duplicates Z: 71 40.500 2.339 0.422 0.503 0.900 0.429 CB 1.613 71 residues pruned to eliminate duplicates Z: 67 39.737 2.327 0.411 0.519 0.939 0.545 CB 1.556 67 residues pruned to eliminate duplicates Z: 66 44.622 2.338 0.476 0.526 0.954 0.446 CB 1.638 66 residues pruned to eliminate duplicates Z: 59 40.781 2.264 0.573 0.544 0.931 0.517 CB 1.548 59 residues pruned to eliminate duplicates Z: 77 39.131 2.242 0.445 0.487 0.921 0.539 CB 1.524 77 residues pruned to eliminate duplicates Z: 69 46.148 2.328 0.469 0.539 0.971 0.559 CB 1.622 69 residues pruned to eliminate duplicates Z: 66 38.072 2.292 0.426 0.513 0.908 0.462 CB 1.571 66 residues pruned to eliminate duplicates Z: 70 43.184 2.376 0.431 0.513 0.942 0.493 CB 1.602 70 residues pruned to eliminate duplicates Z: 69 41.693 2.284 0.549 0.519 0.941 0.500 CB 1.490 69 residues pruned to eliminate duplicates Z: 60 40.081 2.288 0.504 0.533 0.932 0.525 CB 1.575 60 residues pruned to eliminate duplicates Z: 55 37.919 2.190 0.343 0.626 0.963 0.611 CB 1.619 55 residues pruned to eliminate duplicates Z: 74 47.578 2.249 0.540 0.561 0.932 0.562 CB 1.627 74 residues pruned to eliminate duplicates Z: 65 44.789 2.286 0.547 0.544 0.922 0.578 CB 1.644 65 residues pruned to eliminate duplicates Z: 104 49.138 2.161 0.397 0.567 0.942 0.544 CB 1.596 105 residues pruned to eliminate duplicates Z: 6 8.233 1.881 0.339 0.626 1.000 0.400 CA 1.298 6 residues pruned to eliminate duplicates Z: 55 36.932 2.202 0.363 0.619 0.926 0.593 CB 1.616 55 residues pruned to eliminate duplicates Z: 29 18.218 1.991 0.049 0.633 1.000 0.607 CB 1.456 29 residues pruned to eliminate duplicates Z: 80 45.336 2.215 0.456 0.595 0.924 0.658 CB 1.563 80 residues pruned to eliminate duplicates Z: 29 19.497 1.954 0.151 0.693 1.000 0.714 CB 1.372 29 residues pruned to eliminate duplicates Z: 83 45.745 2.222 0.396 0.584 0.927 0.634 CB 1.622 36 residues pruned to eliminate duplicates Z: 15 13.965 2.049 0.098 0.904 1.000 0.786 CB 1.182 15 residues pruned to eliminate duplicates Z: 107 49.393 2.189 0.434 0.548 0.943 0.594 CB 1.545 107 residues pruned to eliminate duplicates Z: 107 50.573 2.205 0.425 0.564 0.925 0.632 CB 1.590 104 residues pruned to eliminate duplicates Z: 15 15.327 2.068 0.171 0.914 1.000 0.714 CB 1.196 15 residues pruned to eliminate duplicates Z: 101 45.449 2.183 0.379 0.571 0.890 0.650 CB 1.584 101 residues pruned to eliminate duplicates Z: 79 44.041 2.207 0.414 0.591 0.923 0.615 CB 1.587 79 residues pruned to eliminate duplicates Z: 80 48.209 2.244 0.513 0.577 0.949 0.532 CB 1.562 80 residues pruned to eliminate duplicates Z: 27 19.977 2.054 0.367 0.653 0.885 0.577 CB 1.368 27 residues pruned to eliminate duplicates Z: 49 28.703 2.054 0.309 0.577 0.958 0.542 CB 1.492 49 residues pruned to eliminate duplicates Z: 108 51.088 2.164 0.477 0.548 0.963 0.561 CB 1.531 98 residues pruned to eliminate duplicates Z: 12 18.189 2.082 0.637 0.882 0.909 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 29 24.417 2.012 0.537 0.668 0.964 0.571 CB 1.325 29 residues pruned to eliminate duplicates Z: 107 47.396 2.195 0.478 0.532 0.906 0.594 CB 1.519 107 residues pruned to eliminate duplicates Z: 26 21.912 1.986 0.321 0.670 0.960 0.640 CB 1.487 26 residues pruned to eliminate duplicates Z: 40 28.019 2.094 0.297 0.608 0.923 0.590 CB 1.616 40 residues pruned to eliminate duplicates Z: 19 23.405 2.072 0.468 0.775 0.944 0.611 CB 1.507 19 residues pruned to eliminate duplicates Z: 102 44.451 2.184 0.401 0.566 0.901 0.515 CB 1.505 102 residues pruned to eliminate duplicates Z: 42 24.884 2.066 0.390 0.525 0.902 0.537 CB 1.464 42 residues pruned to eliminate duplicates Z: 40 25.142 2.106 0.431 0.549 0.821 0.462 CB 1.552 40 residues pruned to eliminate duplicates Z: 20 20.734 2.072 0.514 0.670 0.842 0.474 CB 1.540 20 residues pruned to eliminate duplicates Z: 107 47.154 2.172 0.401 0.529 0.943 0.491 CB 1.550 84 residues pruned to eliminate duplicates Z: 14 15.239 1.767 0.510 0.732 0.923 0.538 CB 1.393 14 residues pruned to eliminate duplicates Z: 94 42.132 2.250 0.371 0.496 0.871 0.634 CB 1.633 94 residues pruned to eliminate duplicates Z: 29 18.171 2.075 0.269 0.413 0.821 0.500 CB 1.737 29 residues pruned to eliminate duplicates Z: 50 30.489 2.087 0.407 0.589 0.939 0.531 CB 1.451 50 residues pruned to eliminate duplicates Z: 40 28.721 2.119 0.461 0.557 0.923 0.487 CB 1.523 40 residues pruned to eliminate duplicates Z: 20 20.489 2.186 0.436 0.522 0.895 0.579 CB 1.638 20 residues pruned to eliminate duplicates Z: 102 48.399 2.182 0.463 0.565 0.941 0.535 CB 1.506 102 residues pruned to eliminate duplicates Z: 21 18.318 2.105 0.425 0.494 0.900 0.650 CB 1.526 21 residues pruned to eliminate duplicates Z: 24 14.542 1.985 0.303 0.450 0.870 0.565 CB 1.420 24 residues pruned to eliminate duplicates Z: 41 24.951 2.063 0.356 0.579 0.900 0.475 CB 1.452 41 residues pruned to eliminate duplicates Z: 41 22.337 2.068 0.456 0.481 0.775 0.475 CB 1.542 41 residues pruned to eliminate duplicates Z: 57 33.152 2.208 0.437 0.470 0.911 0.571 CB 1.580 57 residues pruned to eliminate duplicates Z: 52 25.112 2.136 0.225 0.490 0.843 0.490 CB 1.609 52 residues pruned to eliminate duplicates Z: 50 27.309 2.053 0.403 0.563 0.898 0.551 CB 1.420 50 residues pruned to eliminate duplicates Z: 108 47.506 2.198 0.456 0.544 0.897 0.533 CB 1.532 108 residues pruned to eliminate duplicates Z: 39 25.951 2.129 0.333 0.551 0.895 0.526 CB 1.577 39 residues pruned to eliminate duplicates Z: 10 8.343 1.995 0.093 0.389 1.000 0.667 N 1.435 10 residues pruned to eliminate duplicates Z: 50 25.565 2.009 0.380 0.551 0.898 0.551 CB 1.396 50 residues pruned to eliminate duplicates Z: 41 26.774 2.093 0.496 0.545 0.850 0.525 CB 1.522 41 residues pruned to eliminate duplicates Z: 72 42.424 2.320 0.480 0.485 0.930 0.493 CB 1.601 72 residues pruned to eliminate duplicates Z: 50 36.196 2.305 0.486 0.481 0.959 0.551 CB 1.605 50 residues pruned to eliminate duplicates Z: 72 44.886 2.342 0.505 0.499 0.930 0.465 CB 1.628 72 residues pruned to eliminate duplicates Z: 71 42.723 2.341 0.556 0.489 0.900 0.457 CB 1.575 71 residues pruned to eliminate duplicates Z: 16 8.016 2.191 0.102 0.355 0.800 0.333 CB 1.253 Z: 6 3.342 1.969 0.096 0.292 0.800 0.800 CA 1.093 6 residues pruned to eliminate duplicates Z: 71 40.962 2.345 0.436 0.487 0.900 0.514 CB 1.636 87 residues pruned to eliminate duplicates Z: 9 7.216 2.223 0.265 0.456 0.750 0.375 CB 1.265 Z: 6 6.396 2.027 0.254 0.474 1.000 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 9 6.955 2.229 0.127 0.431 0.875 0.250 CB 1.201 9 residues pruned to eliminate duplicates 403 residues left after pruning, divided into chains as follows: A: 11 B: 13 C: 18 D: 222 E: 23 F: 107 G: 9 CC for partial structure against native data = 27.61 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.299, Contrast = 0.500, Connect. = 0.744 for dens.mod. cycle 1 = 0.299, Contrast = 0.552, Connect. = 0.759 for dens.mod. cycle 2 = 0.299, Contrast = 0.690, Connect. = 0.799 for dens.mod. cycle 3 = 0.299, Contrast = 0.702, Connect. = 0.801 for dens.mod. cycle 4 = 0.299, Contrast = 0.714, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.721, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.727, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.731, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.734, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.736, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2949 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 539 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 32.870 2.365 0.436 0.922 0.941 0.882 CB 1.753 B: 14 23.462 2.274 0.456 0.892 1.000 0.846 CB 1.412 C: 14 35.987 2.549 0.536 0.903 1.000 0.923 CB 1.816 D: 15 23.865 2.296 0.497 0.833 0.929 0.786 CB 1.499 14 residues pruned to eliminate duplicates E: 13 31.641 2.506 0.401 0.895 1.000 1.000 CA 1.866 13 residues pruned to eliminate duplicates F: 22 32.060 2.244 0.787 0.531 1.000 0.810 CB 1.692 G: 14 32.596 2.510 0.383 0.900 1.000 0.923 CB 1.860 14 residues pruned to eliminate duplicates H: 19 28.458 2.245 0.359 0.941 0.944 0.944 CB 1.615 17 residues pruned to eliminate duplicates I: 15 25.692 2.298 0.486 0.886 1.000 0.714 CB 1.451 J: 13 38.773 2.532 0.662 0.914 1.000 0.917 CB 1.881 13 residues pruned to eliminate duplicates K: 16 19.307 2.199 0.221 0.882 1.000 0.667 CB 1.343 16 residues pruned to eliminate duplicates L: 13 33.668 2.473 0.494 0.886 1.000 0.917 CA 1.897 13 residues pruned to eliminate duplicates M: 21 29.573 2.239 0.413 0.944 0.950 0.850 CB 1.524 20 residues pruned to eliminate duplicates N: 14 20.248 2.299 0.299 0.855 1.000 0.923 CA 1.388 O: 6 6.353 2.184 0.240 0.403 0.800 0.600 CB 1.451 P: 18 31.848 2.364 0.439 0.913 0.941 0.882 CB 1.708 18 residues pruned to eliminate duplicates Q: 9 17.643 1.888 0.621 0.885 0.875 0.750 O 1.681 10 residues pruned to eliminate duplicates R: 17 42.065 2.379 0.736 0.951 1.000 0.812 CB 1.755 21 residues pruned to eliminate duplicates S: 17 10.298 1.953 0.328 0.418 0.938 0.438 CB 1.154 T: 20 31.875 2.251 0.361 0.934 1.000 0.895 CB 1.665 20 residues pruned to eliminate duplicates U: 50 39.228 2.315 0.515 0.555 0.918 0.612 CB 1.650 31 residues pruned to eliminate duplicates V: 16 35.229 2.361 0.808 0.919 0.867 0.600 CB 1.732 W: 15 24.305 2.337 0.329 0.853 0.929 0.786 CA 1.665 15 residues pruned to eliminate duplicates X: 19 28.209 2.161 0.591 0.917 0.889 0.500 CB 1.535 17 residues pruned to eliminate duplicates Y: 48 26.514 2.108 0.444 0.528 0.851 0.638 CB 1.451 7 residues pruned to eliminate duplicates Z: 7 14.140 2.117 0.077 0.880 1.000 1.000 N 1.836 7 residues pruned to eliminate duplicates Z: 14 34.920 2.511 0.502 0.895 1.000 0.923 CB 1.841 14 residues pruned to eliminate duplicates Z: 19 27.979 2.166 0.610 0.881 0.889 0.444 CB 1.541 19 residues pruned to eliminate duplicates Z: 14 31.102 2.396 0.408 0.840 1.000 0.769 CA 1.908 Z: 18 37.992 2.344 0.679 0.929 1.000 0.765 CB 1.638 17 residues pruned to eliminate duplicates Z: 58 39.888 2.341 0.376 0.537 0.895 0.561 CB 1.768 49 residues pruned to eliminate duplicates Z: 19 33.685 2.190 0.719 0.948 0.944 0.611 CB 1.542 19 residues pruned to eliminate duplicates Z: 17 12.273 1.948 0.453 0.472 0.938 0.625 CB 1.189 15 residues pruned to eliminate duplicates Z: 23 24.187 2.202 0.493 0.533 0.909 0.591 CB 1.670 23 residues pruned to eliminate duplicates Z: 18 32.008 2.293 0.690 0.925 0.941 0.588 CB 1.494 18 residues pruned to eliminate duplicates Z: 7 15.304 2.221 0.317 0.841 1.000 0.833 CA 1.593 Z: 15 14.304 2.193 0.025 0.858 0.857 0.714 CA 1.461 15 residues pruned to eliminate duplicates Z: 15 22.338 2.306 0.214 0.805 0.929 0.714 CA 1.760 15 residues pruned to eliminate duplicates Z: 56 37.828 2.264 0.495 0.552 0.909 0.545 CB 1.575 52 residues pruned to eliminate duplicates Z: 14 24.714 2.213 0.395 0.895 0.923 0.615 CB 1.723 14 residues pruned to eliminate duplicates Z: 60 53.272 2.363 0.705 0.559 0.915 0.644 CB 1.776 28 residues pruned to eliminate duplicates Z: 13 31.298 2.283 1.123 0.872 1.000 0.333 CA 1.359 13 residues pruned to eliminate duplicates Z: 14 39.174 2.539 0.636 0.900 1.000 0.846 CA 1.869 14 residues pruned to eliminate duplicates Z: 14 34.721 2.271 0.700 0.868 1.000 0.692 CA 1.823 14 residues pruned to eliminate duplicates Z: 7 4.866 1.692 -0.159 0.783 1.000 0.833 CA 1.089 Z: 13 31.776 2.416 0.786 0.890 1.000 0.833 CA 1.529 13 residues pruned to eliminate duplicates Z: 11 16.863 1.993 0.290 0.651 1.000 0.700 CA 1.802 11 residues pruned to eliminate duplicates Z: 30 27.192 2.281 0.495 0.615 0.862 0.690 CB 1.541 30 residues pruned to eliminate duplicates Z: 13 29.529 2.360 0.533 0.843 1.000 0.833 CA 1.754 13 residues pruned to eliminate duplicates Z: 14 27.067 2.300 0.409 0.847 1.000 0.692 CA 1.719 14 residues pruned to eliminate duplicates Z: 14 18.476 2.289 0.176 0.897 0.923 0.769 CB 1.476 14 residues pruned to eliminate duplicates Z: 7 14.873 2.185 0.141 0.894 1.000 1.000 CA 1.748 7 residues pruned to eliminate duplicates Z: 19 25.932 2.230 0.258 0.935 0.944 0.889 CB 1.608 18 residues pruned to eliminate duplicates Z: 14 36.275 2.236 0.961 0.860 1.000 0.615 CB 1.687 14 residues pruned to eliminate duplicates Z: 20 25.314 2.150 0.462 0.880 0.947 0.474 CB 1.414 20 residues pruned to eliminate duplicates Z: 85 44.485 2.318 0.458 0.512 0.905 0.655 CB 1.567 85 residues pruned to eliminate duplicates Z: 18 28.573 2.177 0.583 0.924 0.941 0.471 CB 1.500 19 residues pruned to eliminate duplicates Z: 31 34.996 2.398 0.705 0.521 0.900 0.533 CB 1.701 31 residues pruned to eliminate duplicates Z: 11 18.213 2.189 0.651 0.721 0.800 0.700 CB 1.632 12 residues pruned to eliminate duplicates Z: 11 11.522 2.109 0.001 0.875 0.800 0.700 CB 1.570 11 residues pruned to eliminate duplicates Z: 9 10.470 2.043 -0.094 0.904 1.000 1.000 CB 1.424 7 residues pruned to eliminate duplicates Z: 18 33.022 2.371 0.501 0.915 0.941 0.706 CB 1.690 18 residues pruned to eliminate duplicates Z: 10 18.619 2.138 0.462 0.883 1.000 0.778 CB 1.436 Z: 11 14.230 1.883 0.645 0.704 0.900 0.700 CA 1.341 12 residues pruned to eliminate duplicates Z: 9 15.006 1.823 0.382 0.855 1.000 0.625 CB 1.554 9 residues pruned to eliminate duplicates Z: 35 25.228 2.095 0.309 0.559 0.971 0.676 CB 1.535 33 residues pruned to eliminate duplicates Z: 53 48.453 2.404 0.603 0.556 0.923 0.538 CB 1.788 53 residues pruned to eliminate duplicates Z: 43 24.424 2.060 0.217 0.607 0.929 0.595 CB 1.461 43 residues pruned to eliminate duplicates Z: 15 25.979 2.210 0.642 0.851 0.929 0.643 CA 1.525 15 residues pruned to eliminate duplicates Z: 17 26.808 2.352 0.562 0.923 0.875 0.562 CB 1.465 17 residues pruned to eliminate duplicates Z: 8 8.194 1.868 0.324 0.731 0.857 0.286 CA 1.187 Z: 16 26.861 2.291 0.608 0.766 0.933 0.600 CB 1.593 16 residues pruned to eliminate duplicates Z: 6 8.789 1.951 0.166 0.879 1.000 1.000 CB 1.253 6 residues pruned to eliminate duplicates Z: 7 17.331 2.186 0.317 0.873 1.000 0.667 CA 1.791 7 residues pruned to eliminate duplicates Z: 61 38.491 2.257 0.501 0.547 0.867 0.517 CB 1.616 61 residues pruned to eliminate duplicates Z: 61 45.450 2.313 0.573 0.555 0.917 0.633 CB 1.668 61 residues pruned to eliminate duplicates Z: 12 11.152 2.028 0.231 0.900 1.000 0.727 CB 0.962 12 residues pruned to eliminate duplicates Z: 16 11.366 2.223 0.399 0.400 0.733 0.467 CB 1.430 8 residues pruned to eliminate duplicates Z: 15 22.547 2.274 0.163 0.924 1.000 1.000 CB 1.600 15 residues pruned to eliminate duplicates Z: 8 11.965 2.059 0.121 0.810 0.857 0.714 CB 1.745 8 residues pruned to eliminate duplicates Z: 44 23.841 2.062 0.291 0.577 0.907 0.628 CB 1.399 44 residues pruned to eliminate duplicates Z: 25 19.087 2.081 0.483 0.422 0.875 0.500 CB 1.565 25 residues pruned to eliminate duplicates Z: 14 24.999 2.313 0.484 0.911 1.000 0.769 CB 1.431 14 residues pruned to eliminate duplicates Z: 117 52.910 2.351 0.516 0.496 0.888 0.509 CB 1.559 76 residues pruned to eliminate duplicates Z: 11 16.615 1.777 0.771 0.921 1.000 1.000 CB 1.175 Z: 13 11.354 1.916 0.556 0.896 1.000 0.583 CB 0.787 13 residues pruned to eliminate duplicates Z: 20 26.820 2.204 0.488 0.910 0.895 0.684 CB 1.486 20 residues pruned to eliminate duplicates Z: 7 12.220 2.033 0.334 0.837 1.000 0.833 CB 1.376 7 residues pruned to eliminate duplicates Z: 18 33.572 2.321 0.578 0.908 0.941 0.882 CB 1.677 18 residues pruned to eliminate duplicates Z: 7 9.571 1.821 0.373 0.748 1.000 0.667 CB 1.253 Z: 10 19.121 1.879 0.796 0.929 1.000 0.778 CB 1.322 11 residues pruned to eliminate duplicates Z: 14 19.097 2.367 0.093 0.880 1.000 0.846 CA 1.484 14 residues pruned to eliminate duplicates Z: 55 46.974 2.377 0.653 0.644 0.889 0.463 CB 1.600 41 residues pruned to eliminate duplicates Z: 12 21.377 2.058 0.674 0.894 1.000 0.818 CB 1.342 11 residues pruned to eliminate duplicates Z: 39 32.535 2.311 0.482 0.532 0.921 0.553 CB 1.621 39 residues pruned to eliminate duplicates Z: 16 24.800 2.237 0.365 0.877 1.000 0.867 CB 1.522 16 residues pruned to eliminate duplicates Z: 10 10.611 1.849 0.467 0.899 0.889 0.889 CB 1.049 10 residues pruned to eliminate duplicates Z: 16 18.665 2.140 0.491 0.862 0.867 0.600 CA 1.279 16 residues pruned to eliminate duplicates Z: 80 40.712 2.305 0.361 0.539 0.886 0.608 CB 1.585 80 residues pruned to eliminate duplicates Z: 7 12.856 2.007 0.213 0.822 1.000 0.667 CB 1.631 7 residues pruned to eliminate duplicates Z: 26 18.603 2.112 0.331 0.480 0.840 0.600 CA 1.608 26 residues pruned to eliminate duplicates Z: 13 9.432 1.968 -0.011 0.925 1.000 0.833 CB 0.982 13 residues pruned to eliminate duplicates Z: 6 15.875 2.204 0.394 0.872 1.000 0.800 CB 1.685 6 residues pruned to eliminate duplicates Z: 12 15.949 2.038 0.412 0.905 0.909 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 46 39.045 2.298 0.577 0.564 0.956 0.689 CA 1.580 46 residues pruned to eliminate duplicates Z: 29 26.391 2.316 0.327 0.621 0.893 0.607 CB 1.621 29 residues pruned to eliminate duplicates Z: 54 49.771 2.430 0.593 0.574 0.962 0.660 CB 1.709 54 residues pruned to eliminate duplicates Z: 43 40.957 2.420 0.543 0.586 0.881 0.619 CB 1.770 43 residues pruned to eliminate duplicates Z: 10 13.419 2.114 0.243 0.654 0.889 0.667 CB 1.660 10 residues pruned to eliminate duplicates Z: 10 16.485 2.161 0.257 0.839 0.889 0.667 CB 1.700 10 residues pruned to eliminate duplicates Z: 12 22.851 2.342 0.482 0.905 0.909 0.909 CB 1.554 12 residues pruned to eliminate duplicates Z: 10 13.537 1.888 0.641 0.891 0.889 0.778 CB 1.178 10 residues pruned to eliminate duplicates Z: 7 9.427 1.856 0.144 0.829 1.000 0.833 CB 1.364 7 residues pruned to eliminate duplicates Z: 20 27.136 2.118 0.367 0.942 1.000 0.789 CB 1.492 20 residues pruned to eliminate duplicates Z: 24 29.879 2.217 0.711 0.689 0.913 0.522 CB 1.513 23 residues pruned to eliminate duplicates Z: 18 37.792 2.356 0.673 0.932 1.000 0.824 CB 1.624 18 residues pruned to eliminate duplicates Z: 6 15.329 1.991 0.425 0.860 1.000 0.800 N 1.777 6 residues pruned to eliminate duplicates Z: 30 20.621 2.094 0.436 0.481 0.862 0.621 CB 1.505 30 residues pruned to eliminate duplicates Z: 119 45.948 2.296 0.335 0.479 0.915 0.585 CB 1.540 119 residues pruned to eliminate duplicates Z: 9 10.698 1.692 0.280 0.854 1.000 0.750 CB 1.289 9 residues pruned to eliminate duplicates Z: 19 37.662 2.275 0.798 0.927 1.000 0.833 CB 1.521 19 residues pruned to eliminate duplicates Z: 14 19.849 2.138 0.355 0.850 0.923 0.615 CB 1.525 14 residues pruned to eliminate duplicates Z: 15 25.929 2.330 0.421 0.834 1.000 0.643 CA 1.569 15 residues pruned to eliminate duplicates Z: 12 12.056 1.900 0.411 0.887 0.727 0.727 CB 1.344 Z: 10 15.325 2.125 0.354 0.868 1.000 0.556 CB 1.297 10 residues pruned to eliminate duplicates Z: 12 17.903 2.069 0.669 0.877 0.818 0.636 CB 1.387 12 residues pruned to eliminate duplicates Z: 7 4.409 2.147 -0.357 0.339 1.000 0.500 CB 1.555 7 residues pruned to eliminate duplicates Z: 15 25.427 2.296 0.366 0.890 1.000 0.857 CA 1.559 15 residues pruned to eliminate duplicates Z: 56 43.114 2.301 0.434 0.595 0.945 0.673 CB 1.702 56 residues pruned to eliminate duplicates Z: 56 43.197 2.373 0.482 0.619 0.909 0.564 CB 1.629 56 residues pruned to eliminate duplicates Z: 11 17.869 1.959 0.651 0.875 0.900 0.600 CB 1.412 12 residues pruned to eliminate duplicates Z: 16 23.663 2.190 0.729 0.869 0.733 0.267 CB 1.608 16 residues pruned to eliminate duplicates Z: 9 16.362 1.803 0.687 0.906 1.000 0.250 CA 1.352 7 residues pruned to eliminate duplicates Z: 8 14.421 2.012 0.748 0.826 1.000 0.571 CA 1.169 8 residues pruned to eliminate duplicates Z: 14 21.273 1.957 0.615 0.897 0.923 0.769 CB 1.449 Z: 40 34.641 2.316 0.722 0.513 0.897 0.615 CB 1.529 40 residues pruned to eliminate duplicates Z: 12 15.415 1.870 0.481 0.919 1.000 0.818 CB 1.183 12 residues pruned to eliminate duplicates Z: 64 41.182 2.203 0.501 0.562 0.937 0.508 CB 1.578 48 residues pruned to eliminate duplicates Z: 58 45.248 2.429 0.489 0.558 0.912 0.614 CB 1.718 58 residues pruned to eliminate duplicates Z: 28 32.219 2.146 0.700 0.808 0.889 0.667 CB 1.462 28 residues pruned to eliminate duplicates Z: 16 14.666 2.093 0.268 0.833 0.933 0.800 CA 1.146 16 residues pruned to eliminate duplicates Z: 6 11.208 2.077 0.732 0.640 0.800 0.800 N 1.528 6 residues pruned to eliminate duplicates Z: 9 11.867 1.768 0.335 0.733 1.000 0.750 CB 1.442 9 residues pruned to eliminate duplicates Z: 14 15.151 2.035 0.500 0.683 0.846 0.769 CA 1.376 14 residues pruned to eliminate duplicates Z: 16 29.508 2.304 0.736 0.771 0.933 0.600 CA 1.606 16 residues pruned to eliminate duplicates Z: 27 27.613 2.308 0.641 0.684 0.885 0.615 CB 1.366 27 residues pruned to eliminate duplicates Z: 29 25.653 2.342 0.213 0.628 0.929 0.786 CB 1.629 29 residues pruned to eliminate duplicates Z: 6 6.551 2.132 0.214 0.591 0.800 0.600 CA 1.297 6 residues pruned to eliminate duplicates Z: 12 18.827 2.019 0.838 0.893 0.909 0.909 CB 1.208 12 residues pruned to eliminate duplicates Z: 67 50.793 2.386 0.567 0.558 0.909 0.576 CA 1.738 67 residues pruned to eliminate duplicates Z: 10 22.073 2.004 0.974 0.886 1.000 0.778 CB 1.342 10 residues pruned to eliminate duplicates Z: 11 14.094 2.069 0.264 0.826 0.900 0.500 CB 1.428 11 residues pruned to eliminate duplicates Z: 60 42.508 2.309 0.424 0.560 0.932 0.627 CB 1.702 60 residues pruned to eliminate duplicates Z: 15 28.225 2.298 0.563 0.904 1.000 0.786 CB 1.496 15 residues pruned to eliminate duplicates Z: 27 22.999 2.181 0.409 0.623 0.885 0.577 CA 1.477 27 residues pruned to eliminate duplicates Z: 15 20.724 2.222 0.355 0.776 0.929 0.714 CA 1.552 15 residues pruned to eliminate duplicates Z: 9 8.066 2.044 -0.143 0.881 1.000 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 15 24.723 2.005 0.682 0.907 0.929 0.643 CB 1.500 15 residues pruned to eliminate duplicates Z: 15 31.374 2.260 0.751 0.925 1.000 0.714 CB 1.487 15 residues pruned to eliminate duplicates Z: 14 24.655 2.348 0.562 0.863 1.000 0.769 CA 1.368 14 residues pruned to eliminate duplicates Z: 13 20.187 2.002 0.435 0.834 1.000 0.833 CB 1.521 13 residues pruned to eliminate duplicates Z: 15 14.311 2.025 0.143 0.891 1.000 0.714 CB 1.188 15 residues pruned to eliminate duplicates Z: 60 38.824 2.214 0.510 0.512 0.915 0.373 CB 1.632 60 residues pruned to eliminate duplicates Z: 18 26.065 2.115 0.750 0.916 0.882 0.647 CB 1.368 17 residues pruned to eliminate duplicates Z: 36 33.465 2.387 0.589 0.512 0.886 0.600 CB 1.665 36 residues pruned to eliminate duplicates Z: 27 25.206 2.136 0.603 0.697 0.923 0.500 CB 1.307 27 residues pruned to eliminate duplicates Z: 15 30.874 2.317 0.542 0.837 1.000 0.786 CB 1.727 15 residues pruned to eliminate duplicates Z: 13 36.334 2.393 0.708 0.854 1.000 0.500 CB 1.896 13 residues pruned to eliminate duplicates Z: 15 14.854 2.115 -0.075 0.932 1.000 0.929 CB 1.417 15 residues pruned to eliminate duplicates Z: 11 15.715 2.151 0.330 0.915 0.900 0.900 CB 1.365 11 residues pruned to eliminate duplicates Z: 15 23.322 1.968 0.450 0.894 1.000 0.857 CB 1.568 14 residues pruned to eliminate duplicates Z: 14 15.965 2.034 0.504 0.902 0.923 0.923 CB 1.119 14 residues pruned to eliminate duplicates Z: 8 8.030 1.892 0.173 0.751 0.857 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 74 36.149 2.294 0.392 0.516 0.890 0.575 CB 1.463 74 residues pruned to eliminate duplicates Z: 16 20.630 2.138 0.629 0.788 0.867 0.800 CB 1.370 16 residues pruned to eliminate duplicates Z: 12 8.777 1.999 -0.074 0.927 1.000 0.909 CB 1.002 12 residues pruned to eliminate duplicates Z: 11 14.167 1.747 0.881 0.827 0.900 0.800 CB 1.142 11 residues pruned to eliminate duplicates Z: 29 25.440 2.202 0.617 0.656 0.786 0.571 CB 1.486 29 residues pruned to eliminate duplicates Z: 14 24.514 1.980 0.602 0.883 1.000 0.692 CB 1.550 14 residues pruned to eliminate duplicates Z: 20 22.773 2.113 0.380 0.740 1.000 0.579 CB 1.445 18 residues pruned to eliminate duplicates Z: 12 17.178 1.869 0.501 0.926 1.000 0.727 CB 1.295 12 residues pruned to eliminate duplicates Z: 16 13.626 2.238 0.356 0.445 0.933 0.600 CB 1.315 16 residues pruned to eliminate duplicates Z: 6 8.480 1.560 0.572 0.702 1.000 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 12 14.884 1.878 0.452 0.906 0.909 0.636 CB 1.288 11 residues pruned to eliminate duplicates Z: 11 11.237 1.748 0.113 0.896 1.000 0.900 CA 1.307 11 residues pruned to eliminate duplicates Z: 11 15.728 2.080 0.254 0.908 1.000 0.800 CB 1.354 11 residues pruned to eliminate duplicates Z: 6 7.084 1.664 0.192 0.846 1.000 1.000 CA 1.187 6 residues pruned to eliminate duplicates Z: 7 11.651 2.199 0.324 0.615 1.000 0.667 CA 1.465 8 residues pruned to eliminate duplicates Z: 16 20.103 2.155 0.486 0.845 1.000 0.733 CA 1.205 16 residues pruned to eliminate duplicates Z: 30 26.537 2.212 0.638 0.628 0.897 0.448 CB 1.345 30 residues pruned to eliminate duplicates Z: 8 7.366 1.850 0.269 0.632 0.857 0.429 CA 1.222 8 residues pruned to eliminate duplicates Z: 6 4.348 1.506 0.744 0.597 1.000 0.800 N 0.675 6 residues pruned to eliminate duplicates Z: 82 42.714 2.311 0.384 0.541 0.901 0.568 CB 1.582 82 residues pruned to eliminate duplicates Z: 14 18.478 1.871 0.486 0.877 0.923 0.769 CB 1.450 14 residues pruned to eliminate duplicates Z: 63 44.958 2.310 0.539 0.525 0.935 0.548 CB 1.675 63 residues pruned to eliminate duplicates Z: 9 12.612 2.209 0.137 0.713 0.875 0.750 CB 1.672 9 residues pruned to eliminate duplicates Z: 13 42.738 2.480 0.929 0.894 1.000 0.917 CB 1.850 13 residues pruned to eliminate duplicates Z: 38 22.093 2.328 0.350 0.430 0.892 0.541 CB 1.394 38 residues pruned to eliminate duplicates Z: 15 22.271 2.005 0.498 0.880 0.929 0.714 CB 1.547 15 residues pruned to eliminate duplicates Z: 11 16.684 1.743 0.742 0.894 1.000 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 7 6.536 1.787 0.685 0.440 0.667 0.667 CB 1.414 8 residues pruned to eliminate duplicates Z: 28 29.873 2.372 0.606 0.675 0.852 0.630 CB 1.508 28 residues pruned to eliminate duplicates Z: 14 16.774 1.995 0.437 0.843 0.923 0.923 CB 1.310 14 residues pruned to eliminate duplicates Z: 7 16.658 2.167 0.222 0.900 1.000 1.000 N 1.834 7 residues pruned to eliminate duplicates Z: 16 7.875 1.959 0.319 0.392 0.867 0.533 CB 1.018 16 residues pruned to eliminate duplicates Z: 15 33.120 2.254 0.843 0.905 1.000 0.714 CA 1.516 15 residues pruned to eliminate duplicates Z: 20 25.660 2.059 0.306 0.920 1.000 0.895 CB 1.542 20 residues pruned to eliminate duplicates Z: 14 22.928 2.274 0.389 0.920 1.000 0.615 CB 1.418 14 residues pruned to eliminate duplicates Z: 20 16.039 1.826 0.448 0.648 0.842 0.684 CB 1.439 20 residues pruned to eliminate duplicates Z: 15 26.440 1.904 0.875 0.867 0.929 0.429 CA 1.560 16 residues pruned to eliminate duplicates Z: 57 42.803 2.289 0.525 0.558 0.964 0.679 CB 1.606 57 residues pruned to eliminate duplicates Z: 13 17.310 1.962 0.274 0.888 0.917 0.833 CA 1.571 13 residues pruned to eliminate duplicates Z: 19 18.855 2.368 0.432 0.469 0.944 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 10 13.867 1.836 0.515 0.859 1.000 0.889 CB 1.223 10 residues pruned to eliminate duplicates Z: 14 24.753 1.990 0.613 0.897 1.000 0.769 CB 1.530 14 residues pruned to eliminate duplicates Z: 26 13.452 2.079 0.340 0.303 0.800 0.320 CB 1.504 26 residues pruned to eliminate duplicates Z: 85 51.089 2.299 0.545 0.527 0.952 0.631 CB 1.605 85 residues pruned to eliminate duplicates Z: 19 17.871 2.062 0.668 0.528 0.778 0.500 CB 1.533 19 residues pruned to eliminate duplicates Z: 14 18.541 1.920 0.239 0.894 1.000 0.923 CB 1.550 14 residues pruned to eliminate duplicates Z: 7 6.088 1.953 0.403 0.632 0.833 0.500 CA 0.962 7 residues pruned to eliminate duplicates Z: 14 17.431 1.909 0.279 0.904 1.000 0.923 CA 1.410 14 residues pruned to eliminate duplicates Z: 15 31.122 2.153 0.863 0.843 1.000 0.357 CB 1.545 15 residues pruned to eliminate duplicates Z: 11 14.435 2.011 0.213 0.914 1.000 0.900 CA 1.323 11 residues pruned to eliminate duplicates Z: 10 15.870 1.883 0.623 0.860 1.000 0.778 CB 1.273 10 residues pruned to eliminate duplicates Z: 12 11.928 2.000 0.063 0.873 0.909 0.727 CB 1.356 12 residues pruned to eliminate duplicates Z: 56 44.590 2.388 0.678 0.571 0.873 0.527 CB 1.605 56 residues pruned to eliminate duplicates Z: 12 7.207 1.653 0.199 0.854 1.000 1.000 CB 0.810 Z: 16 23.621 2.178 0.519 0.862 0.933 0.533 CA 1.450 16 residues pruned to eliminate duplicates Z: 12 19.288 1.871 0.551 0.931 1.000 0.636 CB 1.400 12 residues pruned to eliminate duplicates Z: 18 9.037 1.922 0.159 0.302 0.824 0.529 CB 1.490 18 residues pruned to eliminate duplicates Z: 85 42.364 2.218 0.403 0.535 0.940 0.571 CB 1.526 28 residues pruned to eliminate duplicates Z: 18 26.572 2.124 0.265 0.912 1.000 0.588 CB 1.700 18 residues pruned to eliminate duplicates Z: 14 13.381 1.769 0.585 0.639 0.846 0.769 CB 1.373 14 residues pruned to eliminate duplicates Z: 10 5.947 1.887 0.488 0.438 0.667 0.333 CB 1.129 10 residues pruned to eliminate duplicates Z: 17 21.539 2.267 -0.006 0.946 0.938 0.938 CB 1.763 17 residues pruned to eliminate duplicates Z: 14 50.050 2.490 1.118 0.933 1.000 0.846 CA 1.837 14 residues pruned to eliminate duplicates Z: 14 11.540 1.925 0.198 0.914 1.000 0.923 CB 0.981 14 residues pruned to eliminate duplicates Z: 7 11.778 2.083 0.057 0.786 1.000 0.833 CB 1.698 7 residues pruned to eliminate duplicates Z: 15 19.815 2.190 0.221 0.846 1.000 0.857 CA 1.470 15 residues pruned to eliminate duplicates Z: 14 8.401 1.807 0.334 0.395 0.769 0.385 CB 1.404 14 residues pruned to eliminate duplicates Z: 27 32.271 2.375 0.582 0.723 0.885 0.654 CB 1.557 27 residues pruned to eliminate duplicates Z: 14 25.167 2.277 0.530 0.811 0.923 0.615 CB 1.656 14 residues pruned to eliminate duplicates Z: 7 8.210 2.129 0.127 0.789 0.667 0.667 CB 1.625 7 residues pruned to eliminate duplicates Z: 20 26.558 2.082 0.398 0.945 0.947 0.842 CB 1.529 19 residues pruned to eliminate duplicates Z: 15 23.127 2.234 0.488 0.848 1.000 0.643 CB 1.379 15 residues pruned to eliminate duplicates Z: 15 21.257 1.966 0.575 0.909 0.929 0.286 CB 1.403 15 residues pruned to eliminate duplicates Z: 7 13.560 2.047 0.277 0.857 1.000 0.833 CA 1.561 7 residues pruned to eliminate duplicates Z: 10 16.063 1.941 0.398 0.892 1.000 0.889 CB 1.418 10 residues pruned to eliminate duplicates Z: 66 33.221 2.222 0.351 0.532 0.923 0.554 CB 1.441 66 residues pruned to eliminate duplicates Z: 79 32.643 2.117 0.395 0.541 0.885 0.551 CB 1.360 79 residues pruned to eliminate duplicates Z: 20 27.584 2.470 0.528 0.588 0.895 0.684 CB 1.722 20 residues pruned to eliminate duplicates Z: 11 9.381 1.704 0.316 0.882 1.000 0.800 CB 0.957 11 residues pruned to eliminate duplicates Z: 6 6.324 2.120 0.587 0.329 0.800 0.400 CA 1.267 Z: 13 17.304 2.033 0.720 0.663 0.917 0.500 CB 1.340 12 residues pruned to eliminate duplicates Z: 64 41.863 2.264 0.500 0.525 0.952 0.571 CB 1.592 64 residues pruned to eliminate duplicates Z: 16 37.828 2.380 0.944 0.937 0.933 0.600 CB 1.574 16 residues pruned to eliminate duplicates Z: 14 33.342 2.315 0.913 0.920 1.000 0.692 CB 1.471 14 residues pruned to eliminate duplicates Z: 6 5.959 1.602 0.294 0.806 0.800 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 14 13.380 2.039 0.162 0.889 1.000 0.769 CB 1.127 14 residues pruned to eliminate duplicates Z: 81 48.471 2.370 0.525 0.496 0.925 0.588 CB 1.628 81 residues pruned to eliminate duplicates Z: 6 3.501 1.485 0.300 0.874 1.000 1.000 CB 0.590 Z: 124 48.766 2.143 0.430 0.581 0.911 0.561 CB 1.457 129 residues pruned to eliminate duplicates Z: 7 4.570 1.795 0.149 0.427 1.000 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 27 20.990 2.173 0.508 0.422 0.808 0.423 CB 1.687 44 residues pruned to eliminate duplicates Z: 8 3.942 1.627 0.366 0.328 0.714 0.429 CA 1.133 8 residues pruned to eliminate duplicates Z: 15 15.706 2.032 0.447 0.833 0.929 0.714 CA 1.153 15 residues pruned to eliminate duplicates Z: 61 28.682 2.224 0.347 0.433 0.850 0.417 CB 1.558 61 residues pruned to eliminate duplicates Z: 20 27.680 2.217 0.743 0.668 0.895 0.684 CB 1.572 22 residues pruned to eliminate duplicates Z: 7 3.524 1.787 0.833 0.343 0.833 0.500 CB 0.625 Z: 6 13.066 2.123 0.574 0.603 1.000 0.600 CB 1.586 6 residues pruned to eliminate duplicates Z: 13 16.167 2.188 0.435 0.781 0.833 0.417 CA 1.392 13 residues pruned to eliminate duplicates Z: 33 31.600 2.292 0.362 0.668 0.938 0.625 CB 1.635 33 residues pruned to eliminate duplicates Z: 8 8.081 1.722 0.477 0.755 1.000 0.571 CA 0.956 8 residues pruned to eliminate duplicates Z: 16 16.023 1.881 0.111 0.868 1.000 0.733 CA 1.447 16 residues pruned to eliminate duplicates Z: 6 2.974 1.574 0.018 0.621 0.800 0.400 CB 0.926 6 residues pruned to eliminate duplicates Z: 15 19.035 2.009 0.348 0.874 0.857 0.714 CA 1.595 15 residues pruned to eliminate duplicates Z: 76 44.558 2.330 0.551 0.515 0.893 0.547 CB 1.570 76 residues pruned to eliminate duplicates Z: 6 6.371 1.617 0.442 0.790 1.000 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 15 36.008 2.349 0.661 0.844 1.000 0.714 CA 1.835 15 residues pruned to eliminate duplicates Z: 15 29.948 2.362 0.493 0.831 0.929 0.857 CA 1.836 15 residues pruned to eliminate duplicates Z: 6 5.934 1.878 -0.250 0.845 1.000 0.600 CA 1.401 6 residues pruned to eliminate duplicates Z: 8 12.511 1.971 0.157 0.833 1.000 0.714 CB 1.556 8 residues pruned to eliminate duplicates Z: 14 24.209 2.164 0.495 0.901 1.000 0.692 CB 1.482 14 residues pruned to eliminate duplicates Z: 10 13.896 2.054 0.131 0.847 1.000 0.778 CB 1.480 10 residues pruned to eliminate duplicates Z: 15 25.896 2.288 0.587 0.914 0.929 0.571 CB 1.451 15 residues pruned to eliminate duplicates Z: 14 15.834 2.019 0.460 0.916 0.923 0.846 CB 1.140 14 residues pruned to eliminate duplicates Z: 11 16.413 1.948 0.525 0.903 1.000 0.700 CB 1.245 11 residues pruned to eliminate duplicates Z: 6 8.126 1.828 0.268 0.701 1.000 0.800 CB 1.305 Z: 6 7.238 1.285 1.009 0.817 1.000 0.600 N 0.952 Z: 9 9.564 2.047 -0.052 0.849 0.875 0.875 CB 1.477 9 residues pruned to eliminate duplicates Z: 50 29.076 2.065 0.439 0.489 0.918 0.571 CB 1.539 54 residues pruned to eliminate duplicates Z: 6 4.480 1.751 0.174 0.783 1.000 0.800 CB 0.760 6 residues pruned to eliminate duplicates Z: 15 18.149 2.224 0.382 0.853 1.000 0.857 CA 1.166 15 residues pruned to eliminate duplicates Z: 6 9.617 2.008 0.180 0.695 1.000 1.000 CA 1.519 6 residues pruned to eliminate duplicates Z: 10 8.734 2.258 0.232 0.263 0.667 0.333 N 2.057 10 residues pruned to eliminate duplicates Z: 11 15.140 2.081 0.177 0.712 1.000 0.800 CB 1.613 Z: 11 15.742 1.815 0.753 0.866 0.900 0.700 CB 1.273 11 residues pruned to eliminate duplicates Z: 34 26.262 2.091 0.597 0.577 0.879 0.394 CB 1.446 37 residues pruned to eliminate duplicates Z: 9 9.032 1.910 0.403 0.481 0.875 0.625 CB 1.389 9 residues pruned to eliminate duplicates Z: 6 5.181 1.736 0.188 0.418 1.000 0.800 CA 1.224 6 residues pruned to eliminate duplicates Z: 13 19.592 2.183 0.693 0.547 0.917 0.417 CA 1.595 13 residues pruned to eliminate duplicates Z: 67 47.798 2.399 0.625 0.538 0.848 0.561 CB 1.714 67 residues pruned to eliminate duplicates Z: 19 30.831 2.133 0.831 0.919 0.889 0.444 CB 1.475 19 residues pruned to eliminate duplicates Z: 10 5.269 1.640 0.419 0.523 0.667 0.333 CB 1.106 Z: 11 8.792 1.936 0.295 0.395 0.900 0.700 CB 1.377 Z: 16 32.358 2.325 0.771 0.922 1.000 0.467 CB 1.426 16 residues pruned to eliminate duplicates Z: 16 27.129 2.213 0.816 0.894 0.933 0.800 CB 1.340 16 residues pruned to eliminate duplicates Z: 13 15.657 1.876 0.217 0.896 0.917 0.917 CA 1.548 13 residues pruned to eliminate duplicates Z: 20 21.659 2.211 0.354 0.499 0.895 0.632 CB 1.858 20 residues pruned to eliminate duplicates Z: 54 38.717 2.266 0.328 0.675 0.962 0.660 CB 1.562 54 residues pruned to eliminate duplicates Z: 6 6.121 1.794 -0.101 0.775 1.000 1.000 CA 1.331 6 residues pruned to eliminate duplicates Z: 27 18.187 2.243 0.145 0.488 0.885 0.615 CB 1.589 27 residues pruned to eliminate duplicates Z: 15 17.203 2.033 0.401 0.831 0.857 0.714 CB 1.414 Z: 14 18.646 2.140 0.227 0.893 1.000 0.846 CB 1.414 14 residues pruned to eliminate duplicates Z: 54 46.194 2.338 0.486 0.586 0.981 0.604 CB 1.714 51 residues pruned to eliminate duplicates Z: 11 15.296 2.065 0.149 0.724 1.000 0.800 CB 1.666 11 residues pruned to eliminate duplicates Z: 8 5.852 1.425 0.343 0.881 1.000 0.714 CB 0.837 6 residues pruned to eliminate duplicates Z: 32 16.929 1.987 0.311 0.591 0.839 0.452 CB 1.275 32 residues pruned to eliminate duplicates Z: 12 18.838 2.217 0.770 0.649 0.909 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 18 29.408 2.235 0.744 0.913 0.941 0.588 CB 1.376 18 residues pruned to eliminate duplicates Z: 74 43.581 2.252 0.505 0.552 0.932 0.548 CB 1.535 75 residues pruned to eliminate duplicates Z: 11 16.119 1.776 0.619 0.910 1.000 0.800 CB 1.256 11 residues pruned to eliminate duplicates Z: 59 40.889 2.353 0.414 0.544 0.931 0.586 CB 1.659 59 residues pruned to eliminate duplicates Z: 38 31.453 2.365 0.356 0.599 0.919 0.405 CB 1.598 38 residues pruned to eliminate duplicates Z: 30 27.457 2.247 0.503 0.623 0.897 0.552 CB 1.499 30 residues pruned to eliminate duplicates Z: 23 23.109 2.104 0.393 0.620 0.955 0.727 CB 1.572 23 residues pruned to eliminate duplicates Z: 40 43.518 2.357 0.670 0.580 0.923 0.590 CB 1.775 40 residues pruned to eliminate duplicates Z: 47 32.880 2.292 0.541 0.537 0.870 0.543 CB 1.522 47 residues pruned to eliminate duplicates Z: 9 12.944 1.965 0.444 0.886 0.875 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 12 15.072 2.019 0.282 0.825 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 19 13.292 2.225 0.107 0.420 0.889 0.611 CB 1.556 19 residues pruned to eliminate duplicates Z: 34 18.638 2.131 0.149 0.468 0.848 0.485 CB 1.613 34 residues pruned to eliminate duplicates Z: 34 27.806 2.066 0.521 0.602 0.909 0.758 CB 1.538 34 residues pruned to eliminate duplicates Z: 18 23.121 2.123 0.324 0.890 0.941 0.824 CB 1.525 14 residues pruned to eliminate duplicates Z: 11 10.982 1.858 0.081 0.902 1.000 0.900 CB 1.234 11 residues pruned to eliminate duplicates Z: 19 39.121 2.194 0.846 0.942 1.000 0.722 CB 1.579 19 residues pruned to eliminate duplicates Z: 11 22.590 2.121 0.449 0.849 1.000 0.600 CB 1.723 11 residues pruned to eliminate duplicates Z: 17 26.440 2.130 0.779 0.805 0.812 0.375 CA 1.645 17 residues pruned to eliminate duplicates Z: 20 20.396 2.407 0.321 0.512 0.842 0.737 CB 1.728 20 residues pruned to eliminate duplicates Z: 34 24.566 2.191 0.304 0.563 0.879 0.515 CB 1.602 34 residues pruned to eliminate duplicates Z: 11 11.404 2.108 0.109 0.792 0.800 0.600 CB 1.493 11 residues pruned to eliminate duplicates Z: 17 25.909 2.151 0.369 0.930 1.000 0.562 CB 1.539 17 residues pruned to eliminate duplicates Z: 8 6.295 1.785 0.135 0.733 0.857 0.429 CB 1.112 8 residues pruned to eliminate duplicates Z: 15 19.819 2.248 0.411 0.863 0.857 0.714 CA 1.429 15 residues pruned to eliminate duplicates Z: 13 17.674 1.987 0.509 0.762 1.000 0.583 CB 1.348 13 residues pruned to eliminate duplicates 7 1.519 1.219 0.403 0.345 1.000 0.667 N 0.429 ? Z: 37 18.853 1.948 0.501 0.516 0.750 0.389 CB 1.410 37 residues pruned to eliminate duplicates Z: 14 19.769 2.261 0.307 0.890 0.923 0.769 CB 1.446 14 residues pruned to eliminate duplicates Z: 48 45.515 2.352 0.657 0.549 0.936 0.553 CA 1.734 48 residues pruned to eliminate duplicates Z: 114 46.636 2.311 0.325 0.526 0.903 0.593 CB 1.547 114 residues pruned to eliminate duplicates Z: 8 6.619 1.499 0.242 0.882 1.000 1.000 CB 0.973 8 residues pruned to eliminate duplicates Z: 19 19.194 2.249 0.556 0.496 0.833 0.722 CA 1.558 19 residues pruned to eliminate duplicates Z: 10 4.086 1.888 -0.144 0.305 0.889 0.333 CB 1.178 Z: 13 14.929 2.071 0.397 0.586 0.917 0.667 CA 1.496 13 residues pruned to eliminate duplicates Z: 55 19.389 2.101 0.296 0.399 0.833 0.500 CB 1.293 55 residues pruned to eliminate duplicates Z: 51 37.179 2.389 0.422 0.537 0.880 0.600 CB 1.695 51 residues pruned to eliminate duplicates Z: 13 19.053 1.782 0.723 0.906 1.000 0.667 CB 1.274 13 residues pruned to eliminate duplicates Z: 20 13.138 2.115 0.609 0.368 0.684 0.368 CB 1.492 20 residues pruned to eliminate duplicates Z: 18 10.891 2.021 0.280 0.424 0.765 0.529 CB 1.445 18 residues pruned to eliminate duplicates Z: 6 6.267 1.925 0.163 0.700 0.800 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 23 20.611 2.049 0.705 0.536 0.864 0.455 CB 1.406 34 residues pruned to eliminate duplicates Z: 29 15.828 2.237 0.206 0.457 0.857 0.464 CB 1.352 29 residues pruned to eliminate duplicates Z: 7 8.554 2.078 0.226 0.417 0.833 0.833 CA 1.793 Z: 11 8.327 1.886 0.349 0.383 1.000 0.600 CA 1.172 11 residues pruned to eliminate duplicates Z: 9 5.262 1.645 0.308 0.392 1.000 0.625 CB 0.969 12 residues pruned to eliminate duplicates Z: 28 23.130 2.299 0.519 0.428 0.889 0.630 CB 1.545 28 residues pruned to eliminate duplicates Z: 12 6.061 1.559 0.105 0.875 0.909 0.727 CB 0.849 11 residues pruned to eliminate duplicates Z: 15 22.130 2.156 0.602 0.806 0.929 0.571 CA 1.412 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 10.676 1.716 0.374 0.670 0.923 0.385 CB 1.163 14 residues pruned to eliminate duplicates Z: 14 11.365 1.720 0.320 0.660 0.923 0.538 N 1.296 14 residues pruned to eliminate duplicates Z: 13 13.952 1.746 0.391 0.837 0.917 0.667 CB 1.353 12 residues pruned to eliminate duplicates Z: 10 9.866 1.921 -0.056 0.907 1.000 0.778 CB 1.290 11 residues pruned to eliminate duplicates Z: 9 10.166 1.951 0.206 0.863 0.875 0.375 CB 1.280 9 residues pruned to eliminate duplicates Z: 13 9.253 1.641 0.270 0.605 0.917 0.667 CB 1.266 13 residues pruned to eliminate duplicates Z: 10 15.070 1.956 0.311 0.898 1.000 0.778 CB 1.401 10 residues pruned to eliminate duplicates Z: 14 9.806 1.693 0.436 0.770 0.769 0.538 CB 1.146 14 residues pruned to eliminate duplicates Z: 12 15.329 1.844 0.625 0.866 0.909 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 6 4.237 1.555 0.556 0.344 0.800 0.200 CA 1.159 6 residues pruned to eliminate duplicates Z: 17 15.394 2.185 0.328 0.485 0.938 0.562 CB 1.437 19 residues pruned to eliminate duplicates Z: 6 3.651 1.776 0.361 0.261 0.800 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 21 12.806 1.918 0.453 0.435 0.900 0.500 CB 1.221 25 residues pruned to eliminate duplicates Z: 10 10.530 1.970 0.221 0.622 0.778 0.667 CA 1.671 10 residues pruned to eliminate duplicates Z: 16 13.837 2.209 0.471 0.446 0.867 0.467 CB 1.341 16 residues pruned to eliminate duplicates Z: 16 16.213 2.218 0.549 0.475 0.933 0.467 CB 1.339 17 residues pruned to eliminate duplicates Z: 7 18.968 2.235 0.392 0.842 1.000 0.333 CB 1.856 7 residues pruned to eliminate duplicates Z: 10 9.420 2.138 0.173 0.594 0.667 0.444 CA 1.717 10 residues pruned to eliminate duplicates Z: 12 16.174 2.138 0.446 0.540 0.909 0.636 CB 1.670 13 residues pruned to eliminate duplicates Z: 18 20.288 1.947 0.603 0.723 0.941 0.765 CB 1.370 18 residues pruned to eliminate duplicates Z: 17 21.470 1.993 0.522 0.737 0.938 0.750 CA 1.526 15 residues pruned to eliminate duplicates Z: 15 19.270 1.923 0.366 0.862 1.000 0.786 CA 1.439 15 residues pruned to eliminate duplicates Z: 18 22.777 2.008 0.726 0.688 0.941 0.471 CB 1.426 18 residues pruned to eliminate duplicates Z: 18 20.423 1.979 0.813 0.688 0.824 0.353 CB 1.411 18 residues pruned to eliminate duplicates Z: 17 18.307 1.961 0.677 0.643 0.875 0.250 CB 1.391 17 residues pruned to eliminate duplicates Z: 18 21.303 1.985 0.636 0.730 0.941 0.294 CB 1.374 18 residues pruned to eliminate duplicates Z: 17 19.757 1.968 0.630 0.737 0.938 0.312 CB 1.328 17 residues pruned to eliminate duplicates Z: 18 18.302 1.977 0.788 0.662 0.824 0.294 CB 1.311 18 residues pruned to eliminate duplicates Z: 14 14.651 1.814 0.636 0.516 0.846 0.231 CB 1.592 14 residues pruned to eliminate duplicates Z: 17 22.996 2.039 0.648 0.720 0.938 0.375 CB 1.497 17 residues pruned to eliminate duplicates Z: 10 19.107 1.922 0.834 0.788 0.889 0.444 CA 1.578 10 residues pruned to eliminate duplicates Z: 13 14.945 1.714 0.760 0.583 0.917 0.250 CB 1.440 13 residues pruned to eliminate duplicates Z: 18 17.758 2.012 0.678 0.730 0.765 0.294 CB 1.357 17 residues pruned to eliminate duplicates Z: 16 22.752 1.938 0.776 0.890 0.867 0.467 CB 1.416 16 residues pruned to eliminate duplicates Z: 110 51.122 2.342 0.464 0.490 0.872 0.661 CB 1.654 109 residues pruned to eliminate duplicates Z: 7 6.799 1.890 0.559 0.422 0.833 0.833 CA 1.225 7 residues pruned to eliminate duplicates Z: 11 16.559 2.293 0.353 0.621 0.900 0.700 CB 1.674 12 residues pruned to eliminate duplicates Z: 7 4.432 1.619 0.956 0.325 0.667 0.667 CA 1.039 7 residues pruned to eliminate duplicates Z: 52 52.363 2.401 0.636 0.624 0.941 0.588 CB 1.765 52 residues pruned to eliminate duplicates Z: 69 51.007 2.385 0.552 0.565 0.912 0.618 CB 1.720 69 residues pruned to eliminate duplicates Z: 66 52.988 2.377 0.649 0.570 0.908 0.569 CB 1.727 65 residues pruned to eliminate duplicates Z: 18 24.488 2.433 0.327 0.695 0.941 0.706 CA 1.635 18 residues pruned to eliminate duplicates Z: 24 31.616 2.396 0.830 0.547 0.913 0.522 CB 1.573 24 residues pruned to eliminate duplicates Z: 98 48.728 2.305 0.501 0.529 0.887 0.557 CB 1.567 98 residues pruned to eliminate duplicates Z: 69 45.453 2.332 0.611 0.548 0.868 0.618 CB 1.614 69 residues pruned to eliminate duplicates Z: 38 28.567 2.235 0.456 0.514 0.919 0.595 CA 1.548 38 residues pruned to eliminate duplicates Z: 54 46.175 2.379 0.628 0.577 0.868 0.604 CA 1.752 54 residues pruned to eliminate duplicates Z: 14 42.810 2.507 0.853 0.896 1.000 0.923 CA 1.831 14 residues pruned to eliminate duplicates Z: 88 51.939 2.342 0.633 0.517 0.885 0.598 CB 1.617 88 residues pruned to eliminate duplicates Z: 48 49.475 2.422 0.690 0.601 0.915 0.617 CA 1.751 48 residues pruned to eliminate duplicates Z: 66 53.938 2.358 0.647 0.558 0.954 0.631 CB 1.707 66 residues pruned to eliminate duplicates Z: 14 36.727 2.534 0.725 0.870 0.923 0.769 CA 1.842 14 residues pruned to eliminate duplicates Z: 27 33.707 2.418 0.692 0.541 0.885 0.654 CB 1.754 27 residues pruned to eliminate duplicates Z: 90 49.276 2.321 0.531 0.484 0.910 0.596 CB 1.641 90 residues pruned to eliminate duplicates Z: 61 52.487 2.393 0.654 0.596 0.917 0.683 CB 1.704 62 residues pruned to eliminate duplicates Z: 15 31.581 2.483 0.748 0.723 0.929 0.786 CB 1.712 15 residues pruned to eliminate duplicates Z: 82 50.022 2.364 0.524 0.539 0.901 0.679 CB 1.647 82 residues pruned to eliminate duplicates Z: 127 49.139 2.333 0.345 0.488 0.889 0.508 CB 1.589 127 residues pruned to eliminate duplicates Z: 75 45.312 2.339 0.517 0.490 0.905 0.514 CB 1.656 75 residues pruned to eliminate duplicates Z: 71 47.466 2.385 0.565 0.543 0.857 0.500 CB 1.700 71 residues pruned to eliminate duplicates Z: 61 50.972 2.342 0.652 0.535 0.950 0.517 CB 1.730 61 residues pruned to eliminate duplicates Z: 64 51.660 2.414 0.642 0.572 0.921 0.571 CB 1.664 64 residues pruned to eliminate duplicates Z: 53 45.426 2.321 0.593 0.614 0.885 0.577 CA 1.729 53 residues pruned to eliminate duplicates Z: 73 39.349 2.387 0.373 0.518 0.861 0.528 CB 1.614 73 residues pruned to eliminate duplicates Z: 69 46.367 2.390 0.516 0.556 0.868 0.588 CB 1.694 69 residues pruned to eliminate duplicates Z: 64 50.478 2.375 0.570 0.564 0.937 0.619 CB 1.711 64 residues pruned to eliminate duplicates Z: 47 51.065 2.465 0.657 0.586 0.935 0.587 CB 1.817 47 residues pruned to eliminate duplicates Z: 80 46.243 2.369 0.534 0.493 0.886 0.519 CB 1.627 80 residues pruned to eliminate duplicates Z: 160 62.349 2.316 0.477 0.530 0.893 0.547 CB 1.572 160 residues pruned to eliminate duplicates Z: 55 48.979 2.324 0.723 0.574 0.944 0.630 CB 1.641 55 residues pruned to eliminate duplicates Z: 66 50.835 2.358 0.600 0.565 0.908 0.615 CB 1.730 65 residues pruned to eliminate duplicates Z: 14 36.917 2.420 0.627 0.836 1.000 0.538 CA 1.946 14 residues pruned to eliminate duplicates Z: 53 50.333 2.441 0.700 0.536 0.904 0.538 CB 1.796 53 residues pruned to eliminate duplicates Z: 68 51.678 2.369 0.643 0.563 0.896 0.642 CB 1.704 68 residues pruned to eliminate duplicates Z: 125 54.100 2.351 0.472 0.499 0.871 0.621 CB 1.614 125 residues pruned to eliminate duplicates Z: 59 46.657 2.448 0.615 0.535 0.897 0.534 CB 1.669 59 residues pruned to eliminate duplicates Z: 89 47.328 2.305 0.522 0.502 0.909 0.545 CB 1.578 89 residues pruned to eliminate duplicates Z: 123 50.612 2.331 0.378 0.506 0.893 0.533 CB 1.587 123 residues pruned to eliminate duplicates Z: 104 43.044 2.336 0.294 0.475 0.893 0.485 CB 1.610 104 residues pruned to eliminate duplicates Z: 73 48.228 2.383 0.607 0.499 0.889 0.556 CB 1.672 73 residues pruned to eliminate duplicates Z: 106 49.539 2.332 0.461 0.500 0.867 0.571 CB 1.638 106 residues pruned to eliminate duplicates Z: 113 53.671 2.339 0.475 0.513 0.893 0.607 CB 1.626 113 residues pruned to eliminate duplicates Z: 66 54.979 2.422 0.634 0.579 0.938 0.569 CB 1.701 66 residues pruned to eliminate duplicates Z: 54 52.249 2.458 0.651 0.575 0.925 0.642 CB 1.779 54 residues pruned to eliminate duplicates Z: 66 53.024 2.396 0.736 0.547 0.877 0.585 CB 1.722 66 residues pruned to eliminate duplicates Z: 67 49.040 2.384 0.590 0.518 0.924 0.561 CB 1.692 67 residues pruned to eliminate duplicates Z: 70 46.475 2.327 0.557 0.540 0.884 0.652 CB 1.679 70 residues pruned to eliminate duplicates Z: 75 45.697 2.300 0.633 0.482 0.892 0.581 CB 1.614 75 residues pruned to eliminate duplicates Z: 120 55.550 2.357 0.490 0.511 0.891 0.529 CB 1.610 120 residues pruned to eliminate duplicates Z: 73 48.025 2.408 0.541 0.528 0.944 0.597 CB 1.572 73 residues pruned to eliminate duplicates Z: 57 44.832 2.444 0.540 0.515 0.893 0.554 CB 1.756 57 residues pruned to eliminate duplicates Z: 76 46.524 2.372 0.558 0.499 0.933 0.547 CB 1.559 76 residues pruned to eliminate duplicates Z: 45 18.770 2.260 0.281 0.391 0.818 0.500 CB 1.342 45 residues pruned to eliminate duplicates Z: 79 44.116 2.375 0.439 0.502 0.910 0.551 CB 1.602 79 residues pruned to eliminate duplicates Z: 75 43.691 2.377 0.392 0.513 0.919 0.595 CB 1.649 75 residues pruned to eliminate duplicates Z: 31 17.704 2.295 0.409 0.398 0.833 0.533 CB 1.335 31 residues pruned to eliminate duplicates Z: 145 62.634 2.365 0.460 0.528 0.910 0.549 CB 1.616 145 residues pruned to eliminate duplicates Z: 31 12.900 2.198 0.290 0.386 0.700 0.367 CB 1.340 31 residues pruned to eliminate duplicates Z: 58 28.286 2.318 0.228 0.466 0.877 0.579 CB 1.555 58 residues pruned to eliminate duplicates Z: 32 16.258 2.236 0.325 0.356 0.806 0.419 CB 1.428 32 residues pruned to eliminate duplicates Z: 87 42.939 2.332 0.377 0.520 0.884 0.581 CB 1.600 87 residues pruned to eliminate duplicates Z: 18 8.742 2.147 0.001 0.486 0.882 0.353 CB 1.134 18 residues pruned to eliminate duplicates Z: 102 41.170 2.302 0.310 0.505 0.871 0.545 CB 1.551 102 residues pruned to eliminate duplicates Z: 84 49.530 2.333 0.563 0.495 0.928 0.518 CB 1.615 84 residues pruned to eliminate duplicates Z: 43 22.227 2.254 0.249 0.421 0.905 0.571 CB 1.462 43 residues pruned to eliminate duplicates Z: 87 38.554 2.325 0.248 0.537 0.884 0.605 CB 1.564 87 residues pruned to eliminate duplicates Z: 21 10.077 2.078 0.212 0.319 0.750 0.500 CB 1.457 21 residues pruned to eliminate duplicates Z: 78 39.022 2.319 0.304 0.544 0.909 0.558 CB 1.550 78 residues pruned to eliminate duplicates Z: 110 54.539 2.392 0.473 0.530 0.890 0.550 CB 1.617 110 residues pruned to eliminate duplicates Z: 62 30.274 2.308 0.339 0.455 0.852 0.541 CB 1.542 62 residues pruned to eliminate duplicates Z: 45 23.032 2.304 0.432 0.382 0.841 0.477 CB 1.418 45 residues pruned to eliminate duplicates Z: 144 62.950 2.376 0.478 0.534 0.874 0.587 CB 1.659 144 residues pruned to eliminate duplicates Z: 28 16.479 2.210 0.298 0.441 0.852 0.444 CB 1.380 28 residues pruned to eliminate duplicates Z: 27 18.298 2.239 0.368 0.450 0.885 0.538 CB 1.395 27 residues pruned to eliminate duplicates Z: 144 63.607 2.373 0.466 0.532 0.902 0.559 CB 1.642 144 residues pruned to eliminate duplicates Z: 31 17.353 2.208 0.295 0.431 0.833 0.567 CB 1.428 31 residues pruned to eliminate duplicates Z: 30 18.025 2.215 0.285 0.430 0.862 0.379 CB 1.466 30 residues pruned to eliminate duplicates Z: 50 25.721 2.297 0.297 0.477 0.837 0.694 CB 1.509 50 residues pruned to eliminate duplicates Z: 155 61.486 2.343 0.430 0.529 0.877 0.571 CB 1.639 155 residues pruned to eliminate duplicates Z: 71 39.276 2.332 0.344 0.547 0.914 0.614 CB 1.564 71 residues pruned to eliminate duplicates Z: 30 17.361 2.250 0.342 0.400 0.828 0.552 CB 1.434 30 residues pruned to eliminate duplicates Z: 47 24.651 2.213 0.315 0.392 0.935 0.565 CB 1.498 47 residues pruned to eliminate duplicates Z: 71 28.519 2.326 0.261 0.440 0.829 0.514 CB 1.491 71 residues pruned to eliminate duplicates Z: 42 31.403 2.307 0.376 0.531 0.902 0.634 CB 1.661 42 residues pruned to eliminate duplicates Z: 62 31.498 2.300 0.314 0.479 0.869 0.623 CB 1.569 62 residues pruned to eliminate duplicates Z: 22 25.042 2.274 0.488 0.662 0.857 0.762 CB 1.621 22 residues pruned to eliminate duplicates Z: 35 24.489 2.177 0.409 0.519 0.941 0.559 CB 1.428 35 residues pruned to eliminate duplicates Z: 22 25.842 2.321 0.176 0.719 0.952 0.762 CB 1.780 22 residues pruned to eliminate duplicates Z: 153 70.043 2.381 0.485 0.548 0.921 0.638 CB 1.665 154 residues pruned to eliminate duplicates Z: 18 27.661 2.273 0.294 0.890 0.941 0.765 CB 1.744 18 residues pruned to eliminate duplicates Z: 74 41.032 2.327 0.408 0.549 0.877 0.630 CB 1.593 74 residues pruned to eliminate duplicates Z: 35 28.148 2.288 0.493 0.590 0.882 0.618 CB 1.469 35 residues pruned to eliminate duplicates Z: 88 41.270 2.316 0.366 0.547 0.874 0.552 CB 1.529 88 residues pruned to eliminate duplicates Z: 59 36.700 2.304 0.430 0.557 0.862 0.603 CB 1.605 59 residues pruned to eliminate duplicates Z: 18 19.958 2.122 0.426 0.714 0.941 0.588 CB 1.399 18 residues pruned to eliminate duplicates Z: 19 30.546 2.332 0.336 0.868 1.000 0.778 CB 1.690 19 residues pruned to eliminate duplicates Z: 144 62.354 2.365 0.498 0.512 0.902 0.587 CB 1.613 144 residues pruned to eliminate duplicates Z: 31 28.090 2.243 0.433 0.619 0.933 0.767 CB 1.527 31 residues pruned to eliminate duplicates Z: 20 22.553 2.267 0.340 0.635 0.947 0.737 CB 1.584 20 residues pruned to eliminate duplicates Z: 77 40.263 2.312 0.372 0.593 0.895 0.592 CB 1.490 77 residues pruned to eliminate duplicates Z: 70 40.630 2.297 0.430 0.595 0.913 0.551 CB 1.489 70 residues pruned to eliminate duplicates Z: 54 42.842 2.364 0.406 0.631 0.943 0.604 CB 1.659 54 residues pruned to eliminate duplicates Z: 91 40.863 2.303 0.364 0.503 0.878 0.500 CB 1.558 91 residues pruned to eliminate duplicates Z: 26 32.142 2.392 0.520 0.677 0.960 0.520 CB 1.565 26 residues pruned to eliminate duplicates Z: 58 30.297 2.315 0.388 0.519 0.860 0.509 CB 1.426 58 residues pruned to eliminate duplicates Z: 87 38.898 2.261 0.430 0.526 0.849 0.512 CB 1.490 87 residues pruned to eliminate duplicates Z: 47 41.671 2.354 0.501 0.681 0.913 0.565 CB 1.613 47 residues pruned to eliminate duplicates Z: 27 28.458 2.396 0.477 0.671 0.846 0.654 CB 1.592 27 residues pruned to eliminate duplicates Z: 32 28.734 2.219 0.668 0.612 0.903 0.613 CB 1.389 32 residues pruned to eliminate duplicates Z: 74 40.725 2.281 0.413 0.540 0.918 0.548 CB 1.550 74 residues pruned to eliminate duplicates Z: 148 62.800 2.344 0.538 0.517 0.884 0.565 CB 1.597 148 residues pruned to eliminate duplicates Z: 54 29.492 2.250 0.447 0.518 0.849 0.472 CB 1.441 54 residues pruned to eliminate duplicates Z: 43 29.897 2.287 0.396 0.544 0.905 0.500 CB 1.530 43 residues pruned to eliminate duplicates Z: 33 26.613 2.261 0.358 0.595 0.875 0.688 CA 1.599 33 residues pruned to eliminate duplicates Z: 53 41.282 2.352 0.484 0.634 0.904 0.538 CB 1.601 53 residues pruned to eliminate duplicates Z: 155 65.585 2.334 0.570 0.510 0.896 0.532 CB 1.593 154 residues pruned to eliminate duplicates Z: 7 13.270 2.026 0.637 0.621 1.000 0.500 CB 1.457 7 residues pruned to eliminate duplicates Z: 36 31.931 2.290 0.419 0.565 0.971 0.514 CB 1.606 36 residues pruned to eliminate duplicates Z: 53 46.068 2.384 0.475 0.672 0.942 0.654 CB 1.644 53 residues pruned to eliminate duplicates Z: 56 41.736 2.320 0.493 0.629 0.909 0.545 CB 1.583 56 residues pruned to eliminate duplicates Z: 44 26.320 2.267 0.327 0.480 0.860 0.605 CB 1.583 44 residues pruned to eliminate duplicates Z: 30 27.949 2.236 0.324 0.632 0.931 0.621 CB 1.663 30 residues pruned to eliminate duplicates Z: 58 37.721 2.280 0.449 0.603 0.912 0.561 CB 1.503 58 residues pruned to eliminate duplicates Z: 40 33.671 2.326 0.489 0.495 0.974 0.564 CB 1.606 40 residues pruned to eliminate duplicates Z: 72 43.041 2.273 0.589 0.535 0.915 0.493 CB 1.492 72 residues pruned to eliminate duplicates Z: 82 42.866 2.287 0.461 0.540 0.926 0.543 CB 1.481 82 residues pruned to eliminate duplicates Z: 73 41.404 2.296 0.467 0.548 0.903 0.597 CB 1.532 73 residues pruned to eliminate duplicates Z: 78 37.415 2.323 0.394 0.524 0.831 0.506 CB 1.546 78 residues pruned to eliminate duplicates Z: 56 47.513 2.370 0.559 0.639 0.927 0.618 CB 1.641 56 residues pruned to eliminate duplicates Z: 56 43.774 2.349 0.538 0.626 0.909 0.564 CB 1.597 56 residues pruned to eliminate duplicates Z: 49 38.343 2.220 0.588 0.615 0.896 0.438 CB 1.572 49 residues pruned to eliminate duplicates Z: 61 43.050 2.359 0.464 0.587 0.917 0.533 CB 1.615 61 residues pruned to eliminate duplicates Z: 39 34.552 2.377 0.423 0.544 0.921 0.553 CB 1.723 39 residues pruned to eliminate duplicates Z: 57 46.730 2.352 0.594 0.617 0.929 0.589 CB 1.605 57 residues pruned to eliminate duplicates Z: 56 47.849 2.368 0.579 0.610 0.945 0.473 CB 1.643 56 residues pruned to eliminate duplicates Z: 56 43.643 2.374 0.495 0.627 0.909 0.509 CB 1.619 56 residues pruned to eliminate duplicates Z: 54 49.375 2.402 0.572 0.650 0.962 0.528 CB 1.623 54 residues pruned to eliminate duplicates Z: 26 13.747 2.143 0.315 0.309 0.840 0.560 CB 1.436 26 residues pruned to eliminate duplicates Z: 56 47.160 2.367 0.593 0.620 0.945 0.509 CB 1.592 56 residues pruned to eliminate duplicates Z: 41 27.884 2.278 0.396 0.513 0.875 0.650 CB 1.565 41 residues pruned to eliminate duplicates Z: 157 63.437 2.324 0.509 0.498 0.897 0.571 CB 1.616 157 residues pruned to eliminate duplicates Z: 17 8.472 2.064 0.243 0.278 0.812 0.438 CB 1.305 17 residues pruned to eliminate duplicates Z: 58 31.921 2.261 0.472 0.430 0.912 0.579 CB 1.497 58 residues pruned to eliminate duplicates Z: 14 12.897 2.205 0.385 0.312 0.923 0.615 CB 1.562 14 residues pruned to eliminate duplicates Z: 56 32.049 2.244 0.472 0.445 0.891 0.545 CB 1.554 56 residues pruned to eliminate duplicates Z: 8 7.941 2.021 0.276 0.598 0.857 0.571 CA 1.237 8 residues pruned to eliminate duplicates Z: 16 10.935 2.029 0.382 0.351 0.933 0.600 CB 1.267 16 residues pruned to eliminate duplicates Z: 20 13.834 1.899 0.440 0.473 0.947 0.526 CB 1.259 20 residues pruned to eliminate duplicates Z: 17 9.187 1.881 0.538 0.289 0.875 0.438 CB 1.150 17 residues pruned to eliminate duplicates Z: 12 10.591 2.122 0.531 0.404 0.818 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 13 11.673 2.270 0.420 0.329 0.833 0.500 CB 1.514 13 residues pruned to eliminate duplicates Z: 17 13.670 2.040 0.494 0.423 0.938 0.625 CB 1.296 17 residues pruned to eliminate duplicates Z: 81 46.810 2.346 0.529 0.495 0.913 0.538 CB 1.607 68 residues pruned to eliminate duplicates Z: 8 7.766 1.765 0.647 0.360 0.857 0.143 CA 1.371 6 residues pruned to eliminate duplicates Z: 7 8.762 1.713 0.835 0.365 1.000 0.500 CA 1.316 7 residues pruned to eliminate duplicates Z: 6 5.880 2.187 0.339 0.254 1.000 0.400 CA 1.191 Z: 6 7.067 1.721 0.866 0.330 1.000 0.200 C 1.185 Z: 10 20.404 2.137 0.498 0.686 1.000 0.667 N 1.791 10 residues pruned to eliminate duplicates Z: 24 20.071 1.920 0.504 0.610 0.870 0.739 CB 1.502 24 residues pruned to eliminate duplicates Z: 25 26.192 2.080 0.635 0.506 0.958 0.583 CB 1.631 25 residues pruned to eliminate duplicates Z: 47 37.748 2.164 0.735 0.535 0.913 0.609 CB 1.568 47 residues pruned to eliminate duplicates Z: 48 34.350 2.129 0.608 0.515 0.936 0.638 CB 1.540 48 residues pruned to eliminate duplicates Z: 98 41.499 2.249 0.438 0.495 0.866 0.495 CB 1.512 98 residues pruned to eliminate duplicates Z: 22 29.514 2.247 0.793 0.501 0.952 0.571 CB 1.677 22 residues pruned to eliminate duplicates Z: 40 27.893 2.029 0.568 0.525 0.923 0.641 CB 1.484 40 residues pruned to eliminate duplicates Z: 27 21.348 1.930 0.537 0.553 0.962 0.654 CB 1.395 27 residues pruned to eliminate duplicates Z: 49 33.874 2.150 0.588 0.515 0.917 0.583 CB 1.540 68 residues pruned to eliminate duplicates Z: 12 15.152 1.968 0.524 0.880 0.909 0.727 CB 1.214 12 residues pruned to eliminate duplicates Z: 33 17.255 2.018 0.384 0.467 0.812 0.469 CB 1.390 33 residues pruned to eliminate duplicates Z: 35 26.645 2.100 0.539 0.548 0.882 0.588 CB 1.529 35 residues pruned to eliminate duplicates Z: 12 11.714 1.989 0.363 0.764 1.000 0.727 CA 1.031 12 residues pruned to eliminate duplicates Z: 25 23.126 2.033 0.491 0.604 0.875 0.625 CB 1.612 25 residues pruned to eliminate duplicates Z: 13 15.448 1.992 0.706 0.671 0.917 0.167 CB 1.223 13 residues pruned to eliminate duplicates Z: 68 41.317 2.257 0.511 0.541 0.940 0.612 CB 1.512 68 residues pruned to eliminate duplicates Z: 11 18.302 2.159 0.605 0.827 0.900 0.200 CB 1.399 11 residues pruned to eliminate duplicates Z: 27 27.762 2.144 0.731 0.568 0.885 0.423 CB 1.553 27 residues pruned to eliminate duplicates Z: 27 26.843 2.205 0.713 0.589 0.846 0.423 CB 1.512 27 residues pruned to eliminate duplicates Z: 46 27.091 2.015 0.634 0.505 0.889 0.467 CB 1.374 33 residues pruned to eliminate duplicates Z: 10 10.733 1.846 0.472 0.750 1.000 0.778 CB 1.053 10 residues pruned to eliminate duplicates Z: 31 29.501 2.174 0.679 0.601 0.867 0.500 CB 1.547 31 residues pruned to eliminate duplicates Z: 30 30.319 2.220 0.660 0.635 0.828 0.414 CB 1.626 30 residues pruned to eliminate duplicates Z: 21 25.162 2.216 0.650 0.614 0.850 0.550 CB 1.625 21 residues pruned to eliminate duplicates Z: 35 26.599 2.047 0.704 0.566 0.882 0.471 CB 1.390 35 residues pruned to eliminate duplicates Z: 34 28.321 2.141 0.697 0.592 0.879 0.424 CB 1.414 34 residues pruned to eliminate duplicates Z: 29 30.549 2.209 0.631 0.625 0.929 0.429 CB 1.534 29 residues pruned to eliminate duplicates Z: 29 34.362 2.238 0.657 0.651 0.964 0.429 CB 1.578 43 residues pruned to eliminate duplicates Z: 12 16.357 1.946 0.750 0.715 0.818 0.727 CB 1.458 12 residues pruned to eliminate duplicates Z: 34 28.220 2.127 0.617 0.591 0.848 0.515 CB 1.543 34 residues pruned to eliminate duplicates Z: 21 24.632 2.190 0.652 0.624 0.850 0.600 CB 1.594 21 residues pruned to eliminate duplicates Z: 33 32.766 2.129 0.680 0.613 0.938 0.438 CB 1.552 33 residues pruned to eliminate duplicates Z: 34 28.647 2.154 0.673 0.596 0.909 0.455 CB 1.389 33 residues pruned to eliminate duplicates Z: 8 11.440 2.271 0.312 0.571 0.857 0.286 CB 1.581 8 residues pruned to eliminate duplicates Z: 7 13.214 2.059 0.651 0.724 0.833 0.333 CA 1.556 7 residues pruned to eliminate duplicates Z: 7 13.179 2.306 0.343 0.645 0.833 0.500 CA 1.822 7 residues pruned to eliminate duplicates Z: 29 31.662 2.212 0.686 0.635 0.929 0.500 CB 1.522 29 residues pruned to eliminate duplicates Z: 34 27.513 2.144 0.591 0.592 0.909 0.485 CB 1.415 34 residues pruned to eliminate duplicates Z: 32 28.917 2.149 0.658 0.622 0.903 0.516 CB 1.438 32 residues pruned to eliminate duplicates Z: 38 28.320 2.117 0.751 0.561 0.865 0.514 CB 1.368 38 residues pruned to eliminate duplicates Z: 22 29.249 2.119 0.568 0.840 1.000 0.619 CB 1.433 21 residues pruned to eliminate duplicates Z: 20 27.442 2.165 0.281 0.931 1.000 0.789 CB 1.586 20 residues pruned to eliminate duplicates Z: 30 26.724 2.062 0.619 0.692 0.931 0.552 CB 1.340 30 residues pruned to eliminate duplicates Z: 19 27.395 2.095 0.461 0.925 1.000 0.611 CB 1.480 19 residues pruned to eliminate duplicates Z: 27 29.869 2.213 0.623 0.726 0.962 0.538 CB 1.383 27 residues pruned to eliminate duplicates Z: 26 29.399 2.247 0.677 0.737 0.960 0.480 CB 1.314 26 residues pruned to eliminate duplicates Z: 29 30.161 2.158 0.727 0.729 0.893 0.464 CB 1.394 29 residues pruned to eliminate duplicates Z: 25 25.049 2.192 0.595 0.722 0.875 0.417 CB 1.367 25 residues pruned to eliminate duplicates Z: 28 28.112 2.182 0.651 0.706 0.889 0.519 CB 1.402 28 residues pruned to eliminate duplicates Z: 30 26.637 2.124 0.621 0.697 0.897 0.379 CB 1.339 30 residues pruned to eliminate duplicates Z: 26 26.507 2.241 0.590 0.734 0.880 0.360 CB 1.370 26 residues pruned to eliminate duplicates Z: 26 28.306 2.238 0.791 0.742 0.880 0.360 CB 1.293 26 residues pruned to eliminate duplicates Z: 29 27.333 2.136 0.758 0.659 0.929 0.250 CB 1.278 29 residues pruned to eliminate duplicates Z: 29 31.155 2.146 0.685 0.703 0.964 0.464 CB 1.404 20 residues pruned to eliminate duplicates Z: 19 30.818 2.141 0.727 0.927 1.000 0.333 CB 1.377 19 residues pruned to eliminate duplicates Z: 28 29.891 2.193 0.653 0.703 0.963 0.407 CB 1.370 28 residues pruned to eliminate duplicates Z: 15 25.047 2.326 0.856 0.712 0.857 0.357 CB 1.493 15 residues pruned to eliminate duplicates Z: 28 32.052 2.207 0.758 0.755 0.963 0.519 CB 1.315 29 residues pruned to eliminate duplicates Z: 6 6.943 1.641 0.696 0.452 1.000 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 21 23.956 2.256 0.651 0.660 0.950 0.450 CB 1.305 21 residues pruned to eliminate duplicates Z: 9 7.825 2.089 0.351 0.355 0.875 0.375 CB 1.311 9 residues pruned to eliminate duplicates Z: 89 49.623 2.220 0.477 0.543 0.955 0.489 CB 1.621 89 residues pruned to eliminate duplicates Z: 54 39.219 2.208 0.531 0.552 0.962 0.566 CB 1.575 54 residues pruned to eliminate duplicates Z: 70 47.750 2.265 0.592 0.567 0.942 0.493 CB 1.585 70 residues pruned to eliminate duplicates Z: 20 13.368 1.951 0.367 0.619 0.895 0.526 CB 1.148 20 residues pruned to eliminate duplicates Z: 30 19.603 1.975 0.371 0.596 0.966 0.552 CB 1.271 30 residues pruned to eliminate duplicates Z: 106 51.022 2.223 0.406 0.544 0.952 0.600 CB 1.602 115 residues pruned to eliminate duplicates Z: 15 15.687 1.990 0.268 0.877 1.000 0.714 CB 1.207 15 residues pruned to eliminate duplicates Z: 104 46.142 2.218 0.365 0.561 0.883 0.602 CB 1.602 104 residues pruned to eliminate duplicates Z: 100 51.307 2.260 0.445 0.548 0.929 0.586 CB 1.621 94 residues pruned to eliminate duplicates Z: 12 15.627 2.064 0.186 0.764 1.000 0.545 CB 1.523 12 residues pruned to eliminate duplicates Z: 31 16.177 2.062 0.208 0.405 0.833 0.500 CB 1.572 31 residues pruned to eliminate duplicates Z: 106 43.706 2.188 0.366 0.532 0.895 0.524 CB 1.544 106 residues pruned to eliminate duplicates Z: 40 23.846 2.118 0.239 0.569 0.897 0.538 CB 1.516 40 residues pruned to eliminate duplicates Z: 100 43.420 2.187 0.391 0.524 0.919 0.596 CB 1.524 100 residues pruned to eliminate duplicates Z: 20 16.745 2.028 0.359 0.610 0.789 0.579 CB 1.590 20 residues pruned to eliminate duplicates Z: 94 54.932 2.224 0.593 0.597 0.946 0.548 CB 1.548 54 residues pruned to eliminate duplicates Z: 12 17.223 1.999 0.325 0.831 0.909 0.545 CA 1.620 Z: 12 16.309 2.040 0.319 0.803 0.909 0.636 CB 1.542 24 residues pruned to eliminate duplicates Z: 107 45.693 2.249 0.352 0.540 0.877 0.547 CB 1.600 107 residues pruned to eliminate duplicates Z: 116 44.930 2.126 0.393 0.536 0.913 0.504 CB 1.495 116 residues pruned to eliminate duplicates Z: 32 21.657 2.144 0.307 0.464 0.871 0.581 CB 1.652 32 residues pruned to eliminate duplicates Z: 13 8.430 2.137 0.017 0.250 0.833 0.583 CB 1.793 13 residues pruned to eliminate duplicates Z: 106 44.956 2.171 0.375 0.540 0.943 0.552 CB 1.498 106 residues pruned to eliminate duplicates Z: 12 8.256 2.123 0.068 0.261 0.818 0.636 CB 1.764 12 residues pruned to eliminate duplicates Z: 40 20.726 2.110 0.390 0.543 0.795 0.513 CB 1.365 40 residues pruned to eliminate duplicates Z: 9 9.995 2.236 0.349 0.351 0.875 0.875 CB 1.573 9 residues pruned to eliminate duplicates Z: 31 16.304 2.035 0.303 0.446 0.733 0.533 CB 1.619 31 residues pruned to eliminate duplicates Z: 53 20.750 2.021 0.237 0.487 0.885 0.577 CB 1.318 53 residues pruned to eliminate duplicates Z: 75 40.028 2.238 0.402 0.470 0.932 0.568 CB 1.639 75 residues pruned to eliminate duplicates Z: 54 28.127 2.204 0.399 0.470 0.849 0.660 CB 1.521 54 residues pruned to eliminate duplicates Z: 109 46.343 2.212 0.396 0.534 0.898 0.546 CB 1.555 109 residues pruned to eliminate duplicates Z: 38 24.054 2.315 0.332 0.406 0.892 0.595 CB 1.587 38 residues pruned to eliminate duplicates Z: 110 49.689 2.200 0.443 0.534 0.954 0.642 CB 1.519 110 residues pruned to eliminate duplicates Z: 134 58.624 2.225 0.491 0.579 0.925 0.526 CB 1.535 134 residues pruned to eliminate duplicates Z: 49 43.545 2.369 0.570 0.566 0.938 0.729 CA 1.690 49 residues pruned to eliminate duplicates Z: 50 39.771 2.360 0.472 0.575 0.878 0.633 CB 1.733 50 residues pruned to eliminate duplicates Z: 57 45.697 2.400 0.407 0.565 0.946 0.679 CB 1.795 57 residues pruned to eliminate duplicates Z: 60 46.386 2.366 0.496 0.549 0.932 0.610 CB 1.745 60 residues pruned to eliminate duplicates Z: 58 46.135 2.371 0.521 0.574 0.930 0.614 CB 1.697 58 residues pruned to eliminate duplicates Z: 29 21.545 2.325 0.425 0.470 0.857 0.607 CB 1.478 29 residues pruned to eliminate duplicates Z: 53 45.393 2.389 0.510 0.580 0.923 0.654 CA 1.750 53 residues pruned to eliminate duplicates Z: 59 40.277 2.343 0.401 0.534 0.897 0.672 CB 1.739 59 residues pruned to eliminate duplicates Z: 61 41.761 2.336 0.411 0.549 0.900 0.617 CB 1.732 61 residues pruned to eliminate duplicates Z: 36 26.483 2.245 0.478 0.472 0.886 0.514 CB 1.567 36 residues pruned to eliminate duplicates Z: 27 29.720 2.353 0.680 0.531 0.885 0.615 CB 1.616 27 residues pruned to eliminate duplicates Z: 27 21.591 2.171 0.854 0.484 0.846 0.462 CB 1.263 27 residues pruned to eliminate duplicates Z: 49 45.086 2.388 0.575 0.557 0.958 0.562 CB 1.709 49 residues pruned to eliminate duplicates Z: 72 44.951 2.303 0.539 0.518 0.930 0.507 CB 1.591 72 residues pruned to eliminate duplicates Z: 60 43.357 2.337 0.475 0.535 0.932 0.678 CB 1.697 60 residues pruned to eliminate duplicates Z: 58 44.702 2.381 0.532 0.558 0.895 0.544 CB 1.714 58 residues pruned to eliminate duplicates Z: 59 49.164 2.371 0.569 0.560 0.948 0.603 CB 1.726 59 residues pruned to eliminate duplicates Z: 60 49.082 2.368 0.557 0.549 0.949 0.525 CB 1.741 60 residues pruned to eliminate duplicates Z: 59 38.778 2.324 0.454 0.538 0.897 0.552 CB 1.619 59 residues pruned to eliminate duplicates Z: 62 41.466 2.211 0.586 0.539 0.934 0.574 CB 1.561 62 residues pruned to eliminate duplicates Z: 59 41.081 2.365 0.415 0.541 0.897 0.500 CB 1.727 59 residues pruned to eliminate duplicates Z: 58 47.437 2.405 0.453 0.559 0.965 0.667 CB 1.759 58 residues pruned to eliminate duplicates Z: 57 43.367 2.309 0.544 0.556 0.929 0.607 CB 1.658 57 residues pruned to eliminate duplicates Z: 58 41.065 2.344 0.482 0.550 0.877 0.579 CB 1.700 58 residues pruned to eliminate duplicates Z: 60 45.286 2.348 0.580 0.537 0.915 0.627 CB 1.675 60 residues pruned to eliminate duplicates Z: 31 34.021 2.342 0.468 0.580 0.967 0.500 CA 1.732 31 residues pruned to eliminate duplicates Z: 60 41.937 2.324 0.555 0.542 0.881 0.542 CB 1.645 60 residues pruned to eliminate duplicates Z: 44 41.570 2.371 0.503 0.598 0.930 0.674 CB 1.743 44 residues pruned to eliminate duplicates Z: 51 49.770 2.380 0.524 0.602 1.000 0.660 CA 1.761 51 residues pruned to eliminate duplicates Z: 58 43.624 2.379 0.486 0.566 0.930 0.684 CB 1.649 58 residues pruned to eliminate duplicates Z: 59 43.456 2.381 0.438 0.553 0.897 0.603 CB 1.765 59 residues pruned to eliminate duplicates Z: 59 43.895 2.367 0.479 0.555 0.948 0.586 CB 1.645 59 residues pruned to eliminate duplicates Z: 54 48.347 2.357 0.498 0.562 0.981 0.547 CA 1.805 54 residues pruned to eliminate duplicates Z: 61 46.929 2.332 0.547 0.536 0.933 0.583 CB 1.736 61 residues pruned to eliminate duplicates Z: 37 35.558 2.318 0.393 0.579 0.972 0.583 CA 1.750 37 residues pruned to eliminate duplicates Z: 55 46.025 2.368 0.510 0.579 0.963 0.648 CB 1.686 55 residues pruned to eliminate duplicates Z: 38 32.103 2.320 0.286 0.535 0.973 0.514 CA 1.757 38 residues pruned to eliminate duplicates Z: 41 32.701 2.218 0.508 0.546 0.925 0.725 CA 1.598 41 residues pruned to eliminate duplicates Z: 54 49.692 2.371 0.572 0.609 0.981 0.698 CB 1.683 54 residues pruned to eliminate duplicates Z: 57 49.790 2.382 0.555 0.566 0.946 0.625 CB 1.781 57 residues pruned to eliminate duplicates Z: 50 40.969 2.336 0.562 0.548 0.898 0.551 CB 1.705 50 residues pruned to eliminate duplicates Z: 60 50.092 2.384 0.647 0.554 0.932 0.610 CB 1.690 60 residues pruned to eliminate duplicates Z: 58 48.643 2.387 0.568 0.561 0.930 0.596 CB 1.745 58 residues pruned to eliminate duplicates Z: 34 41.290 2.409 0.509 0.611 1.000 0.697 CA 1.780 34 residues pruned to eliminate duplicates Z: 45 36.430 2.283 0.447 0.510 0.955 0.500 CA 1.725 45 residues pruned to eliminate duplicates Z: 58 48.425 2.393 0.487 0.568 0.947 0.632 CB 1.782 58 residues pruned to eliminate duplicates Z: 16 9.042 2.029 0.160 0.354 0.867 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 61 44.767 2.349 0.564 0.536 0.933 0.550 CB 1.628 61 residues pruned to eliminate duplicates Z: 66 45.497 2.357 0.420 0.513 0.954 0.569 CB 1.745 66 residues pruned to eliminate duplicates Z: 56 46.420 2.292 0.541 0.590 0.964 0.545 CA 1.688 56 residues pruned to eliminate duplicates Z: 35 32.221 2.367 0.292 0.572 0.971 0.618 CA 1.737 35 residues pruned to eliminate duplicates Z: 57 43.369 2.303 0.506 0.573 0.911 0.518 CB 1.711 57 residues pruned to eliminate duplicates Z: 58 45.842 2.345 0.518 0.543 0.947 0.509 CA 1.727 58 residues pruned to eliminate duplicates Z: 76 46.867 2.262 0.487 0.561 0.947 0.573 CB 1.602 76 residues pruned to eliminate duplicates Z: 78 50.370 2.254 0.419 0.620 0.987 0.662 CB 1.624 78 residues pruned to eliminate duplicates Z: 24 16.885 1.957 0.314 0.642 0.913 0.652 CB 1.314 24 residues pruned to eliminate duplicates Z: 24 14.225 1.874 0.394 0.593 0.913 0.652 CB 1.137 24 residues pruned to eliminate duplicates Z: 22 13.857 1.922 0.196 0.668 0.952 0.667 CB 1.182 22 residues pruned to eliminate duplicates Z: 86 47.115 2.253 0.463 0.572 0.894 0.506 CB 1.618 86 residues pruned to eliminate duplicates Z: 46 21.198 1.957 0.343 0.450 0.889 0.556 CB 1.423 46 residues pruned to eliminate duplicates Z: 107 53.018 2.214 0.490 0.526 0.925 0.519 CB 1.646 107 residues pruned to eliminate duplicates Z: 41 25.973 2.094 0.385 0.551 0.900 0.625 CB 1.497 41 residues pruned to eliminate duplicates Z: 107 47.372 2.223 0.367 0.564 0.896 0.623 CB 1.588 99 residues pruned to eliminate duplicates Z: 10 10.720 1.996 0.023 0.887 1.000 0.778 CB 1.261 10 residues pruned to eliminate duplicates Z: 86 54.602 2.259 0.474 0.583 0.965 0.612 CB 1.702 86 residues pruned to eliminate duplicates Z: 9 10.428 2.328 0.302 0.466 1.000 0.375 CB 1.259 9 residues pruned to eliminate duplicates Z: 6 3.688 2.010 0.137 0.349 0.800 0.800 CA 1.063 6 residues pruned to eliminate duplicates Z: 66 40.514 2.338 0.383 0.527 0.938 0.508 CB 1.612 66 residues pruned to eliminate duplicates Z: 9 9.204 2.350 0.222 0.477 0.875 0.250 CB 1.325 9 residues pruned to eliminate duplicates Z: 7 6.839 1.882 0.280 0.499 1.000 0.667 CA 1.160 7 residues pruned to eliminate duplicates Z: 10 11.936 2.155 0.628 0.520 1.000 0.222 CB 1.112 10 residues pruned to eliminate duplicates 413 residues left after pruning, divided into chains as follows: A: 10 B: 13 C: 12 D: 13 E: 17 F: 206 G: 25 H: 107 I: 10 CC for partial structure against native data = 26.87 % ------------------------------------------------------------------------------ Global autotracing cycle 8 Phases from autotracing cycle 4 used as input for final density modification = 0.299, Contrast = 0.489, Connect. = 0.745 for dens.mod. cycle 1 = 0.299, Contrast = 0.540, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.684, Connect. = 0.801 for dens.mod. cycle 3 = 0.299, Contrast = 0.696, Connect. = 0.802 for dens.mod. cycle 4 = 0.299, Contrast = 0.710, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.719, Connect. = 0.805 for dens.mod. cycle 6 = 0.299, Contrast = 0.726, Connect. = 0.806 for dens.mod. cycle 7 = 0.299, Contrast = 0.732, Connect. = 0.808 for dens.mod. cycle 8 = 0.299, Contrast = 0.737, Connect. = 0.809 for dens.mod. cycle 9 = 0.299, Contrast = 0.740, Connect. = 0.810 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.66 - 2.91 - 2.54 - 2.31 - 2.15 - 2.02 - 1.92 - 1.84 - 1.77 - 1.71 0.579 0.589 0.604 0.620 0.598 0.556 0.516 0.456 0.407 0.378 0.728 0.726 0.742 0.755 0.731 0.691 0.642 0.568 0.498 0.452 N 6000 6032 6109 6015 5828 6221 6037 5771 5993 5783 Estimated mean FOM = 0.531 Pseudo-free CC = 56.15 % Best trace (cycle 4 with CC 30.42%) was saved as ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.4 - Setup, data input and phasing 18.2 - FFTs and peak-searches 32.9 - Sphere of influence 1.1 - Rest of density modification 0.0 - Alpha-helix search 2738.1 - Tripeptide search 19257.8 - Chain tracing 0.0 - NCS analysis 72.0 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 04:33:52 Total time: 22121.89 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 370.82 Used memory is bytes: 55358248