null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:35:16 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: ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.ins Phases from ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.phi Native data from ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.hkl Listing output to ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.lst Phases output to ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.phs Poly-Ala trace output to ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 41 21 2 Allowed origin shift code: 9 72462 Reflections read from file ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.phi 72462 Reflections read from file ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.hkl 72462 Unique data, highest resolution = 1.792 Angstroms Anisotropic scaling: intensities multiplied by 0.000012h^2 +0.000012k^2 -0.000020l^2 +0.000000kl +0.000000hl +0.000000hk 70 Reflections with d > 1.992 and 0 in range 1.992 > d > 1.792 added Density sharpening factor set to 1.06 Fourier grid = 256 x 256 x 21 0.000 <= z <= 0.125 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.644 ** -f missing ?? ** = 0.300, Contrast = 0.322, Connect. = 0.656 for dens.mod. cycle 1 = 0.300, Contrast = 0.462, Connect. = 0.693 for dens.mod. cycle 2 = 0.300, Contrast = 0.804, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.985, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 1.084, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 1.137, Connect. = 0.818 for dens.mod. cycle 6 = 0.300, Contrast = 1.166, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 1.182, Connect. = 0.828 for dens.mod. cycle 8 = 0.300, Contrast = 1.191, Connect. = 0.830 for dens.mod. cycle 9 = 0.300, Contrast = 1.196, Connect. = 0.832 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2553 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 596 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 48.113 2.530 1.154 0.867 1.000 0.857 CA 1.727 B: 23 65.033 2.580 1.028 0.912 1.000 0.818 CA 1.876 C: 39 43.718 2.463 1.118 0.415 0.868 0.605 CB 1.711 D: 23 64.481 2.587 1.064 0.932 1.000 0.727 CA 1.799 24 residues pruned to eliminate duplicates E: 22 62.366 2.610 0.925 0.920 1.000 0.857 CA 1.908 F: 15 48.468 2.525 1.455 0.910 1.000 0.714 CB 1.482 15 residues pruned to eliminate duplicates G: 15 55.607 2.474 1.773 0.771 1.000 0.643 CA 1.704 15 residues pruned to eliminate duplicates H: 15 44.731 2.480 1.350 0.790 0.929 0.714 CB 1.712 15 residues pruned to eliminate duplicates I: 23 65.666 2.529 1.044 0.933 1.000 0.864 CA 1.890 23 residues pruned to eliminate duplicates J: 53 47.363 2.382 1.023 0.555 0.904 0.654 CB 1.429 K: 24 57.246 2.524 0.975 0.868 0.957 0.826 CA 1.830 23 residues pruned to eliminate duplicates L: 23 70.651 2.586 1.172 0.918 1.000 0.773 CA 1.891 24 residues pruned to eliminate duplicates M: 24 57.106 2.549 0.810 0.913 1.000 0.870 CA 1.827 24 residues pruned to eliminate duplicates N: 23 28.015 2.442 0.984 0.419 0.818 0.636 CB 1.639 23 residues pruned to eliminate duplicates O: 24 69.863 2.445 1.268 0.914 1.000 0.652 CB 1.857 22 residues pruned to eliminate duplicates P: 24 62.635 2.521 1.075 0.918 0.957 0.739 CA 1.840 24 residues pruned to eliminate duplicates Q: 16 46.150 2.398 1.460 0.749 0.933 0.800 CB 1.733 16 residues pruned to eliminate duplicates R: 15 35.611 2.468 1.238 0.802 0.857 0.714 CB 1.544 15 residues pruned to eliminate duplicates S: 23 65.331 2.600 1.074 0.909 1.000 0.773 CA 1.833 23 residues pruned to eliminate duplicates T: 34 41.299 2.436 1.148 0.473 0.879 0.667 CB 1.606 19 residues pruned to eliminate duplicates U: 23 78.988 2.580 1.347 0.929 1.000 0.682 CA 1.946 22 residues pruned to eliminate duplicates V: 15 47.421 2.460 1.359 0.845 1.000 0.786 CA 1.624 15 residues pruned to eliminate duplicates W: 22 60.134 2.601 0.971 0.894 0.952 0.857 CA 1.929 23 residues pruned to eliminate duplicates X: 22 77.232 2.644 1.311 0.926 1.000 0.714 CB 1.935 22 residues pruned to eliminate duplicates Y: 23 54.742 2.541 0.771 0.923 1.000 0.955 CA 1.822 23 residues pruned to eliminate duplicates Z: 23 58.518 2.576 0.993 0.908 0.955 0.773 CA 1.808 23 residues pruned to eliminate duplicates Z: 24 55.045 2.503 0.983 0.866 0.957 0.696 CA 1.769 24 residues pruned to eliminate duplicates Z: 22 57.703 2.562 0.813 0.928 1.000 0.952 CA 1.898 22 residues pruned to eliminate duplicates Z: 76 53.804 2.343 1.226 0.432 0.880 0.560 CB 1.452 32 residues pruned to eliminate duplicates Z: 23 72.592 2.577 1.144 0.912 1.000 0.636 CB 1.983 23 residues pruned to eliminate duplicates Z: 23 74.522 2.585 1.324 0.929 1.000 0.682 CB 1.851 24 residues pruned to eliminate duplicates Z: 67 56.792 2.445 1.080 0.455 0.909 0.667 CB 1.584 70 residues pruned to eliminate duplicates Z: 46 37.692 2.347 0.891 0.425 0.889 0.578 CB 1.539 38 residues pruned to eliminate duplicates Z: 60 50.459 2.415 1.077 0.415 0.898 0.576 CB 1.593 60 residues pruned to eliminate duplicates Z: 15 52.780 2.381 1.467 0.909 1.000 0.857 CA 1.705 17 residues pruned to eliminate duplicates Z: 24 57.736 2.497 1.189 0.871 0.913 0.739 CA 1.759 24 residues pruned to eliminate duplicates Z: 24 53.203 2.427 0.912 0.882 1.000 0.870 CA 1.730 24 residues pruned to eliminate duplicates Z: 16 24.278 2.417 1.156 0.407 0.933 0.400 CB 1.421 16 residues pruned to eliminate duplicates Z: 23 52.214 2.520 0.713 0.927 1.000 0.955 CA 1.807 23 residues pruned to eliminate duplicates Z: 24 74.327 2.537 1.346 0.905 1.000 0.696 CA 1.853 24 residues pruned to eliminate duplicates Z: 16 31.467 2.360 0.924 0.821 0.867 0.867 CA 1.563 16 residues pruned to eliminate duplicates Z: 24 67.198 2.463 1.243 0.915 1.000 0.696 CB 1.793 24 residues pruned to eliminate duplicates Z: 108 92.543 2.425 1.202 0.522 0.935 0.654 CB 1.754 23 residues pruned to eliminate duplicates Z: 16 40.159 2.394 0.981 0.859 1.000 0.800 CA 1.609 16 residues pruned to eliminate duplicates Z: 23 76.873 2.542 1.385 0.926 1.000 0.591 CB 1.896 22 residues pruned to eliminate duplicates Z: 15 37.997 2.407 1.180 0.915 1.000 0.714 CB 1.368 15 residues pruned to eliminate duplicates Z: 10 24.040 2.297 1.138 0.867 0.889 0.778 CB 1.343 10 residues pruned to eliminate duplicates Z: 15 44.207 2.467 1.296 0.929 1.000 0.714 CB 1.460 15 residues pruned to eliminate duplicates Z: 10 19.586 2.388 1.053 0.430 0.889 0.556 CA 1.611 10 residues pruned to eliminate duplicates Z: 48 56.456 2.409 1.292 0.411 0.936 0.681 CB 1.748 48 residues pruned to eliminate duplicates Z: 21 20.073 2.294 0.927 0.349 0.800 0.350 CB 1.495 21 residues pruned to eliminate duplicates Z: 108 91.197 2.464 1.163 0.508 0.935 0.617 CB 1.756 109 residues pruned to eliminate duplicates Z: 24 65.364 2.513 1.056 0.919 1.000 0.739 CA 1.859 24 residues pruned to eliminate duplicates Z: 11 23.434 2.210 0.898 0.837 1.000 0.700 CB 1.322 11 residues pruned to eliminate duplicates Z: 24 51.787 2.513 0.784 0.874 0.957 0.870 CB 1.833 24 residues pruned to eliminate duplicates Z: 24 55.902 2.505 0.945 0.895 0.957 0.783 CB 1.793 24 residues pruned to eliminate duplicates Z: 14 43.892 2.565 1.453 0.824 0.846 0.769 CB 1.726 14 residues pruned to eliminate duplicates Z: 24 58.296 2.547 1.002 0.884 0.957 0.826 CB 1.801 24 residues pruned to eliminate duplicates Z: 83 83.387 2.428 1.142 0.565 0.951 0.646 CB 1.748 83 residues pruned to eliminate duplicates Z: 51 48.996 2.298 1.201 0.408 0.900 0.520 CB 1.676 Z: 19 11.858 2.028 0.677 0.238 0.833 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 12 35.456 2.286 1.275 0.773 1.000 0.818 CB 1.615 12 residues pruned to eliminate duplicates Z: 108 92.575 2.436 1.185 0.519 0.935 0.701 CB 1.765 74 residues pruned to eliminate duplicates Z: 21 52.021 2.687 1.385 0.660 0.900 0.650 CB 1.739 20 residues pruned to eliminate duplicates Z: 108 96.374 2.468 1.183 0.524 0.953 0.617 CB 1.772 108 residues pruned to eliminate duplicates Z: 83 53.794 2.368 1.051 0.430 0.878 0.524 CB 1.497 83 residues pruned to eliminate duplicates Z: 15 47.666 2.437 1.545 0.837 0.929 0.714 CA 1.655 15 residues pruned to eliminate duplicates Z: 14 48.162 2.707 1.258 0.930 0.923 0.538 CB 1.655 14 residues pruned to eliminate duplicates Z: 50 49.238 2.324 1.305 0.375 0.857 0.592 CB 1.749 50 residues pruned to eliminate duplicates Z: 46 37.380 2.293 1.035 0.441 0.867 0.622 CB 1.464 40 residues pruned to eliminate duplicates Z: 109 95.619 2.480 1.260 0.508 0.935 0.657 CB 1.742 108 residues pruned to eliminate duplicates Z: 24 56.312 2.511 0.815 0.909 1.000 0.739 CA 1.830 24 residues pruned to eliminate duplicates Z: 109 92.938 2.473 1.158 0.512 0.935 0.620 CB 1.771 109 residues pruned to eliminate duplicates Z: 22 39.925 2.456 1.352 0.601 0.905 0.381 CB 1.514 22 residues pruned to eliminate duplicates Z: 111 85.780 2.351 1.141 0.515 0.955 0.664 CB 1.677 111 residues pruned to eliminate duplicates Z: 109 93.568 2.432 1.227 0.520 0.954 0.630 CB 1.709 109 residues pruned to eliminate duplicates Z: 34 34.874 2.315 0.960 0.473 0.879 0.667 CB 1.565 34 residues pruned to eliminate duplicates Z: 6 5.544 2.193 0.365 0.264 0.600 0.600 CA 1.806 6 residues pruned to eliminate duplicates Z: 38 34.835 2.175 1.190 0.471 0.919 0.541 CB 1.347 5 residues pruned to eliminate duplicates Z: 48 58.147 2.426 1.177 0.424 0.957 0.617 CB 1.816 50 residues pruned to eliminate duplicates Z: 22 64.274 2.602 1.064 0.923 0.952 0.857 CB 1.927 22 residues pruned to eliminate duplicates Z: 71 76.466 2.458 1.106 0.575 0.943 0.671 CB 1.742 71 residues pruned to eliminate duplicates Z: 50 51.277 2.408 1.125 0.383 0.918 0.612 CB 1.765 50 residues pruned to eliminate duplicates Z: 23 56.583 2.562 0.799 0.924 1.000 0.818 CA 1.839 23 residues pruned to eliminate duplicates Z: 24 61.163 2.472 1.221 0.925 0.913 0.739 CB 1.786 24 residues pruned to eliminate duplicates Z: 15 20.458 2.259 1.183 0.492 0.857 0.643 CB 1.305 15 residues pruned to eliminate duplicates Z: 72 56.138 2.370 1.117 0.474 0.915 0.563 CB 1.488 67 residues pruned to eliminate duplicates Z: 48 50.052 2.315 1.306 0.420 0.915 0.617 CB 1.624 48 residues pruned to eliminate duplicates Z: 108 95.037 2.473 1.211 0.521 0.944 0.617 CB 1.743 108 residues pruned to eliminate duplicates Z: 23 62.390 2.564 1.024 0.940 0.955 0.818 CA 1.865 23 residues pruned to eliminate duplicates Z: 35 35.018 2.298 1.212 0.482 0.853 0.529 CB 1.410 35 residues pruned to eliminate duplicates Z: 11 24.938 2.248 0.884 0.833 1.000 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 14 25.594 2.080 0.988 0.784 1.000 0.692 CB 1.337 14 residues pruned to eliminate duplicates Z: 13 28.309 2.102 1.230 0.833 0.917 0.667 CB 1.427 13 residues pruned to eliminate duplicates Z: 75 79.951 2.374 1.188 0.597 0.959 0.662 CB 1.700 75 residues pruned to eliminate duplicates Z: 22 72.974 2.609 1.272 0.938 1.000 0.810 CB 1.869 22 residues pruned to eliminate duplicates Z: 109 97.882 2.471 1.247 0.512 0.944 0.694 CB 1.775 108 residues pruned to eliminate duplicates Z: 6 5.576 1.974 0.883 0.513 0.800 0.600 CB 0.828 6 residues pruned to eliminate duplicates Z: 54 49.782 2.454 1.067 0.535 0.830 0.547 CB 1.568 54 residues pruned to eliminate duplicates Z: 76 56.315 2.437 1.150 0.419 0.867 0.613 CB 1.558 75 residues pruned to eliminate duplicates Z: 13 13.261 2.194 0.597 0.396 0.833 0.417 CB 1.463 13 residues pruned to eliminate duplicates Z: 91 84.278 2.445 1.162 0.532 0.944 0.656 CB 1.723 91 residues pruned to eliminate duplicates Z: 108 95.097 2.454 1.212 0.522 0.935 0.682 CB 1.773 108 residues pruned to eliminate duplicates Z: 107 97.393 2.447 1.236 0.525 0.962 0.689 CB 1.753 108 residues pruned to eliminate duplicates Z: 81 83.230 2.449 1.160 0.559 0.950 0.675 CB 1.749 81 residues pruned to eliminate duplicates Z: 11 9.906 2.117 0.964 0.335 0.800 0.500 CA 1.127 11 residues pruned to eliminate duplicates Z: 50 43.772 2.320 1.057 0.354 0.918 0.592 CB 1.672 50 residues pruned to eliminate duplicates Z: 128 106.386 2.486 1.265 0.525 0.953 0.638 CB 1.717 131 residues pruned to eliminate duplicates Z: 50 53.647 2.389 1.306 0.413 0.898 0.612 CB 1.697 49 residues pruned to eliminate duplicates Z: 33 31.366 2.291 1.014 0.477 0.906 0.625 CB 1.358 33 residues pruned to eliminate duplicates Z: 22 67.707 2.601 1.183 0.918 1.000 0.619 CB 1.835 22 residues pruned to eliminate duplicates Z: 71 66.704 2.547 1.183 0.495 0.871 0.671 CB 1.654 71 residues pruned to eliminate duplicates Z: 49 56.500 2.397 1.321 0.434 0.917 0.583 CB 1.712 49 residues pruned to eliminate duplicates Z: 9 17.443 2.387 0.614 0.835 0.875 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 82 83.699 2.418 1.194 0.547 0.963 0.728 CB 1.739 82 residues pruned to eliminate duplicates Z: 23 45.383 2.416 0.952 0.887 0.909 0.773 CB 1.627 23 residues pruned to eliminate duplicates Z: 24 55.787 2.520 0.795 0.928 1.000 0.783 CA 1.801 24 residues pruned to eliminate duplicates Z: 110 84.836 2.394 1.122 0.487 0.954 0.679 CB 1.698 110 residues pruned to eliminate duplicates Z: 108 84.740 2.419 1.174 0.501 0.925 0.664 CB 1.682 108 residues pruned to eliminate duplicates Z: 24 66.156 2.504 1.339 0.872 0.957 0.696 CA 1.794 24 residues pruned to eliminate duplicates Z: 23 62.842 2.564 1.001 0.911 1.000 0.864 CA 1.850 23 residues pruned to eliminate duplicates Z: 80 87.560 2.459 1.238 0.579 0.949 0.671 CB 1.747 80 residues pruned to eliminate duplicates Z: 11 28.899 2.155 1.051 0.828 1.000 0.700 CB 1.558 13 residues pruned to eliminate duplicates Z: 12 28.134 2.330 1.075 0.793 0.818 0.545 CB 1.658 12 residues pruned to eliminate duplicates Z: 153 97.391 2.458 1.144 0.530 0.888 0.632 CB 1.638 153 residues pruned to eliminate duplicates Z: 52 44.132 2.390 1.255 0.414 0.882 0.529 CB 1.422 52 residues pruned to eliminate duplicates Z: 26 31.738 2.308 1.388 0.305 0.880 0.480 CB 1.626 26 residues pruned to eliminate duplicates Z: 82 82.525 2.412 1.150 0.579 0.951 0.691 CB 1.724 82 residues pruned to eliminate duplicates Z: 22 77.541 2.625 1.286 0.920 1.000 0.619 CB 1.986 22 residues pruned to eliminate duplicates Z: 11 19.468 2.015 1.072 0.765 0.900 0.700 CA 1.295 11 residues pruned to eliminate duplicates Z: 109 96.794 2.456 1.267 0.520 0.935 0.694 CB 1.753 109 residues pruned to eliminate duplicates Z: 13 30.816 2.192 1.177 0.780 0.917 0.667 CB 1.588 13 residues pruned to eliminate duplicates Z: 49 58.693 2.572 1.087 0.545 0.854 0.750 CB 1.768 49 residues pruned to eliminate duplicates Z: 22 41.279 2.453 0.716 0.865 0.905 0.810 CB 1.733 22 residues pruned to eliminate duplicates Z: 38 30.495 2.147 1.188 0.459 0.811 0.514 CB 1.372 24 residues pruned to eliminate duplicates Z: 23 65.910 2.553 1.112 0.918 1.000 0.773 CA 1.837 23 residues pruned to eliminate duplicates Z: 48 45.540 2.431 1.023 0.515 0.851 0.596 CB 1.563 48 residues pruned to eliminate duplicates Z: 109 92.673 2.414 1.320 0.512 0.944 0.657 CB 1.666 109 residues pruned to eliminate duplicates Z: 37 34.776 2.163 1.181 0.484 0.917 0.667 CB 1.362 37 residues pruned to eliminate duplicates Z: 26 41.059 2.480 1.224 0.601 0.840 0.520 CB 1.611 26 residues pruned to eliminate duplicates Z: 83 81.370 2.412 1.203 0.559 0.939 0.646 CB 1.701 83 residues pruned to eliminate duplicates Z: 108 95.712 2.451 1.235 0.525 0.935 0.626 CB 1.763 108 residues pruned to eliminate duplicates Z: 82 89.236 2.442 1.224 0.569 0.951 0.679 CB 1.796 82 residues pruned to eliminate duplicates Z: 110 84.544 2.381 1.155 0.510 0.927 0.725 CB 1.686 110 residues pruned to eliminate duplicates Z: 93 79.304 2.374 1.233 0.526 0.913 0.663 CB 1.664 93 residues pruned to eliminate duplicates Z: 82 85.547 2.421 1.213 0.567 0.963 0.593 CB 1.726 82 residues pruned to eliminate duplicates Z: 98 90.376 2.427 1.188 0.541 0.938 0.670 CB 1.769 98 residues pruned to eliminate duplicates Z: 12 31.377 2.294 1.131 0.884 0.909 0.455 CB 1.539 12 residues pruned to eliminate duplicates Z: 72 74.000 2.419 1.072 0.587 0.930 0.606 CB 1.734 72 residues pruned to eliminate duplicates Z: 12 21.843 1.938 1.041 0.803 0.909 0.909 CB 1.406 12 residues pruned to eliminate duplicates Z: 12 22.304 1.972 0.991 0.790 0.909 0.727 CA 1.460 12 residues pruned to eliminate duplicates Z: 41 53.252 2.472 1.125 0.524 0.900 0.650 CB 1.738 41 residues pruned to eliminate duplicates Z: 110 94.876 2.434 1.255 0.502 0.954 0.615 CB 1.732 110 residues pruned to eliminate duplicates Z: 111 88.185 2.403 1.112 0.520 0.936 0.609 CB 1.734 111 residues pruned to eliminate duplicates Z: 51 49.256 2.304 1.312 0.387 0.880 0.640 CB 1.676 51 residues pruned to eliminate duplicates Z: 49 46.629 2.290 1.117 0.392 0.896 0.625 CB 1.737 49 residues pruned to eliminate duplicates Z: 37 39.740 2.359 1.042 0.476 0.889 0.611 CB 1.584 37 residues pruned to eliminate duplicates Z: 70 79.733 2.498 1.105 0.579 0.942 0.652 CB 1.797 70 residues pruned to eliminate duplicates Z: 24 19.927 2.160 0.929 0.378 0.870 0.261 CB 1.306 24 residues pruned to eliminate duplicates Z: 24 70.489 2.475 1.165 0.922 1.000 0.652 CA 1.929 24 residues pruned to eliminate duplicates Z: 6 5.310 2.147 0.203 0.727 0.600 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 9 25.729 2.316 1.064 0.890 0.875 0.750 CB 1.565 9 residues pruned to eliminate duplicates Z: 108 88.606 2.407 1.172 0.499 0.935 0.645 CB 1.755 108 residues pruned to eliminate duplicates Z: 109 90.272 2.448 1.215 0.500 0.944 0.676 CB 1.697 109 residues pruned to eliminate duplicates Z: 58 44.459 2.339 0.934 0.496 0.877 0.579 CB 1.490 58 residues pruned to eliminate duplicates Z: 9 9.046 2.002 1.570 0.297 0.875 0.500 CB 0.891 9 residues pruned to eliminate duplicates Z: 9 7.971 2.191 0.526 0.309 0.750 0.500 CA 1.390 9 residues pruned to eliminate duplicates Z: 24 35.272 2.507 1.166 0.603 0.826 0.522 CB 1.487 24 residues pruned to eliminate duplicates Z: 12 35.612 2.264 1.301 0.784 1.000 0.818 CB 1.605 12 residues pruned to eliminate duplicates Z: 37 34.219 2.161 1.184 0.498 0.917 0.556 CB 1.321 37 residues pruned to eliminate duplicates Z: 10 17.020 2.063 0.506 0.868 1.000 0.667 CA 1.335 10 residues pruned to eliminate duplicates Z: 110 94.459 2.442 1.279 0.504 0.945 0.615 CB 1.713 109 residues pruned to eliminate duplicates Z: 23 62.790 2.550 1.003 0.903 1.000 0.727 CA 1.868 23 residues pruned to eliminate duplicates Z: 11 26.583 2.416 0.712 0.797 0.800 0.600 CB 1.958 11 residues pruned to eliminate duplicates Z: 109 97.332 2.449 1.239 0.513 0.944 0.676 CB 1.786 109 residues pruned to eliminate duplicates Z: 111 88.753 2.403 1.124 0.511 0.936 0.627 CB 1.752 111 residues pruned to eliminate duplicates Z: 52 46.754 2.265 1.197 0.389 0.882 0.588 CB 1.677 52 residues pruned to eliminate duplicates Z: 10 27.124 2.215 1.477 0.890 0.889 0.889 CB 1.334 10 residues pruned to eliminate duplicates Z: 109 95.453 2.446 1.177 0.521 0.954 0.630 CB 1.771 109 residues pruned to eliminate duplicates Z: 12 20.033 2.035 0.939 0.801 0.818 0.818 CB 1.438 12 residues pruned to eliminate duplicates Z: 22 72.693 2.614 1.270 0.923 1.000 0.714 CB 1.879 22 residues pruned to eliminate duplicates Z: 108 87.820 2.467 1.130 0.511 0.916 0.645 CB 1.745 108 residues pruned to eliminate duplicates Z: 42 52.888 2.456 1.107 0.581 0.951 0.634 CB 1.552 42 residues pruned to eliminate duplicates Z: 108 94.954 2.463 1.160 0.523 0.944 0.664 CB 1.787 108 residues pruned to eliminate duplicates Z: 13 11.124 2.116 0.900 0.282 0.750 0.417 CA 1.361 13 residues pruned to eliminate duplicates Z: 12 24.415 1.901 1.172 0.803 1.000 0.727 CB 1.369 12 residues pruned to eliminate duplicates Z: 109 92.617 2.461 1.178 0.517 0.944 0.676 CB 1.731 109 residues pruned to eliminate duplicates Z: 24 60.607 2.464 0.984 0.922 1.000 0.652 CA 1.818 24 residues pruned to eliminate duplicates Z: 50 52.376 2.296 1.102 0.485 0.939 0.612 CB 1.677 50 residues pruned to eliminate duplicates Z: 23 63.092 2.550 0.921 0.940 1.000 0.955 CB 1.907 23 residues pruned to eliminate duplicates Z: 15 35.316 2.421 0.927 0.818 0.929 0.786 CA 1.652 15 residues pruned to eliminate duplicates Z: 6 14.401 2.345 1.320 0.514 0.800 0.600 CB 1.459 6 residues pruned to eliminate duplicates Z: 24 33.782 2.228 1.184 0.595 0.913 0.652 CB 1.449 24 residues pruned to eliminate duplicates Z: 12 23.885 1.923 1.057 0.818 0.909 0.636 CB 1.519 12 residues pruned to eliminate duplicates Z: 38 55.904 2.408 1.343 0.446 0.946 0.676 CB 1.820 38 residues pruned to eliminate duplicates Z: 80 78.640 2.452 1.176 0.571 0.911 0.684 CB 1.698 80 residues pruned to eliminate duplicates Z: 43 71.405 2.518 1.242 0.638 0.929 0.738 CB 1.847 43 residues pruned to eliminate duplicates Z: 98 74.901 2.353 1.115 0.477 0.938 0.649 CB 1.667 98 residues pruned to eliminate duplicates Z: 6 4.101 1.634 0.604 0.282 0.800 0.400 CA 1.118 4 residues pruned to eliminate duplicates Z: 110 91.081 2.428 1.166 0.511 0.945 0.661 CB 1.737 110 residues pruned to eliminate duplicates Z: 104 93.321 2.457 1.211 0.527 0.942 0.650 CB 1.751 104 residues pruned to eliminate duplicates Z: 109 94.978 2.455 1.252 0.521 0.935 0.620 CB 1.732 109 residues pruned to eliminate duplicates Z: 6 9.072 2.078 0.454 0.755 0.800 0.400 CA 1.338 6 residues pruned to eliminate duplicates Z: 11 31.575 2.122 1.132 0.874 1.000 0.900 CB 1.607 11 residues pruned to eliminate duplicates Z: 52 60.270 2.514 1.168 0.553 0.882 0.627 CB 1.666 52 residues pruned to eliminate duplicates Z: 42 39.937 2.191 1.042 0.450 0.951 0.634 CB 1.542 42 residues pruned to eliminate duplicates Z: 51 52.193 2.312 1.232 0.402 0.920 0.580 CB 1.724 50 residues pruned to eliminate duplicates Z: 45 25.905 1.978 0.952 0.394 0.864 0.477 CB 1.310 45 residues pruned to eliminate duplicates Z: 40 32.523 2.262 1.114 0.446 0.872 0.436 CB 1.320 40 residues pruned to eliminate duplicates Z: 52 46.897 2.352 1.261 0.476 0.902 0.490 CB 1.404 52 residues pruned to eliminate duplicates Z: 56 48.430 2.360 1.116 0.491 0.891 0.545 CB 1.481 56 residues pruned to eliminate duplicates Z: 99 57.298 2.284 1.156 0.435 0.888 0.602 CB 1.415 99 residues pruned to eliminate duplicates Z: 117 76.457 2.445 1.146 0.460 0.922 0.560 CB 1.528 117 residues pruned to eliminate duplicates Z: 12 22.039 1.955 0.994 0.804 1.000 1.000 CB 1.307 12 residues pruned to eliminate duplicates Z: 7 10.318 1.830 0.466 0.678 1.000 0.667 CB 1.332 7 residues pruned to eliminate duplicates Z: 7 6.315 1.820 0.230 0.476 0.833 0.833 CB 1.416 7 residues pruned to eliminate duplicates Z: 52 43.688 2.344 1.310 0.420 0.863 0.471 CB 1.423 52 residues pruned to eliminate duplicates Z: 21 19.644 2.105 0.848 0.450 0.800 0.600 CB 1.486 21 residues pruned to eliminate duplicates Z: 10 10.061 2.304 0.814 0.345 0.778 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 41 30.488 2.248 1.017 0.347 0.825 0.575 CB 1.522 41 residues pruned to eliminate duplicates Z: 6 3.601 1.892 0.548 0.456 1.000 0.800 CB 0.575 Z: 13 21.465 2.097 1.227 0.504 0.917 0.583 CB 1.442 13 residues pruned to eliminate duplicates Z: 23 51.273 2.512 0.869 0.890 0.955 0.727 CA 1.754 23 residues pruned to eliminate duplicates Z: 61 41.823 2.286 1.265 0.405 0.867 0.517 CB 1.329 61 residues pruned to eliminate duplicates Z: 17 24.077 2.175 1.297 0.439 0.812 0.562 CB 1.580 17 residues pruned to eliminate duplicates Z: 22 25.109 2.272 0.869 0.356 0.952 0.714 CB 1.584 22 residues pruned to eliminate duplicates Z: 83 80.423 2.417 1.177 0.559 0.951 0.659 CB 1.675 83 residues pruned to eliminate duplicates Z: 6 13.747 1.973 0.809 0.663 1.000 0.800 CB 1.482 Z: 35 36.710 2.348 1.318 0.351 0.941 0.500 CB 1.445 35 residues pruned to eliminate duplicates Z: 13 25.936 2.185 1.061 0.742 0.917 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 8 13.351 1.970 0.850 0.505 0.857 0.714 CB 1.608 8 residues pruned to eliminate duplicates Z: 10 17.312 2.012 0.713 0.787 0.889 0.889 CA 1.464 10 residues pruned to eliminate duplicates Z: 137 96.940 2.375 1.237 0.523 0.919 0.676 CB 1.665 137 residues pruned to eliminate duplicates Z: 72 46.748 2.305 1.076 0.475 0.859 0.535 CB 1.384 72 residues pruned to eliminate duplicates Z: 47 53.161 2.371 1.276 0.424 0.935 0.609 CB 1.680 47 residues pruned to eliminate duplicates Z: 58 61.810 2.401 1.300 0.425 0.947 0.684 CB 1.692 58 residues pruned to eliminate duplicates Z: 8 12.575 1.936 0.482 0.790 0.857 0.714 CB 1.499 8 residues pruned to eliminate duplicates Z: 9 10.753 2.001 0.369 0.455 0.875 0.750 CB 1.660 9 residues pruned to eliminate duplicates Z: 11 25.214 2.152 1.196 0.831 1.000 0.700 CB 1.268 11 residues pruned to eliminate duplicates Z: 16 21.759 2.232 1.363 0.451 0.800 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 76 60.431 2.271 1.186 0.424 0.920 0.680 CB 1.654 76 residues pruned to eliminate duplicates Z: 104 63.033 2.350 1.132 0.412 0.864 0.563 CB 1.574 104 residues pruned to eliminate duplicates Z: 12 12.856 2.163 0.809 0.431 0.818 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 49 45.342 2.382 1.200 0.434 0.917 0.500 CB 1.458 49 residues pruned to eliminate duplicates Z: 12 16.460 1.976 0.559 0.521 0.909 0.636 CB 1.736 12 residues pruned to eliminate duplicates Z: 7 15.140 2.193 1.370 0.459 0.833 0.667 CB 1.489 7 residues pruned to eliminate duplicates Z: 23 61.926 2.542 0.948 0.922 1.000 0.818 CB 1.875 23 residues pruned to eliminate duplicates Z: 49 47.871 2.393 1.101 0.388 0.896 0.604 CB 1.728 49 residues pruned to eliminate duplicates Z: 9 7.865 1.700 0.902 0.476 0.875 0.500 CB 1.007 Z: 41 35.056 2.166 1.150 0.499 0.925 0.525 CB 1.287 41 residues pruned to eliminate duplicates Z: 12 23.964 2.073 1.033 0.843 1.000 0.455 CB 1.277 12 residues pruned to eliminate duplicates Z: 10 5.516 1.682 0.533 0.328 0.889 0.556 CB 0.968 10 residues pruned to eliminate duplicates Z: 25 25.862 2.180 0.888 0.352 0.917 0.625 CB 1.642 25 residues pruned to eliminate duplicates Z: 68 63.391 2.387 1.159 0.452 0.925 0.687 CB 1.706 68 residues pruned to eliminate duplicates Z: 56 36.345 2.270 0.893 0.402 0.873 0.545 CB 1.449 56 residues pruned to eliminate duplicates Z: 130 95.846 2.429 1.158 0.536 0.946 0.597 CB 1.643 130 residues pruned to eliminate duplicates Z: 29 34.686 2.235 1.275 0.379 0.857 0.571 CB 1.711 30 residues pruned to eliminate duplicates Z: 110 86.872 2.413 1.163 0.493 0.936 0.596 CB 1.717 110 residues pruned to eliminate duplicates Z: 19 14.790 1.924 1.075 0.408 0.778 0.500 CB 1.236 19 residues pruned to eliminate duplicates Z: 86 89.786 2.550 1.184 0.601 0.918 0.706 CB 1.731 86 residues pruned to eliminate duplicates Z: 38 31.361 2.100 1.178 0.469 0.892 0.595 CB 1.304 38 residues pruned to eliminate duplicates Z: 39 42.555 2.329 1.281 0.503 0.921 0.579 CB 1.406 39 residues pruned to eliminate duplicates Z: 32 22.203 2.186 0.989 0.347 0.839 0.516 CB 1.291 32 residues pruned to eliminate duplicates Z: 78 64.523 2.350 1.141 0.438 0.922 0.623 CB 1.690 78 residues pruned to eliminate duplicates Z: 7 3.914 1.762 1.063 0.809 1.000 0.833 CB 0.336 7 residues pruned to eliminate duplicates Z: 109 90.719 2.410 1.155 0.530 0.935 0.704 CB 1.744 109 residues pruned to eliminate duplicates Z: 25 24.714 2.031 1.210 0.542 0.875 0.542 CB 1.232 25 residues pruned to eliminate duplicates Z: 7 5.717 1.904 -0.055 0.526 0.833 0.333 N 1.517 Z: 9 16.215 1.850 0.764 0.806 1.000 0.375 CA 1.345 9 residues pruned to eliminate duplicates Z: 47 39.792 2.333 1.089 0.457 0.891 0.457 CB 1.411 47 residues pruned to eliminate duplicates Z: 12 20.405 2.009 0.704 0.852 1.000 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 6 4.386 1.845 0.536 0.421 1.000 0.400 CB 0.752 Z: 10 13.251 1.771 0.752 0.701 0.889 0.222 CA 1.333 10 residues pruned to eliminate duplicates Z: 50 49.842 2.371 1.084 0.382 0.939 0.633 CB 1.740 50 residues pruned to eliminate duplicates Z: 15 29.527 2.334 1.293 0.475 0.929 0.786 CB 1.629 15 residues pruned to eliminate duplicates Z: 28 22.745 2.125 0.954 0.331 0.852 0.556 CB 1.489 28 residues pruned to eliminate duplicates Z: 10 20.499 2.083 1.094 0.803 0.889 0.778 CB 1.352 10 residues pruned to eliminate duplicates Z: 47 47.913 2.477 0.909 0.534 0.848 0.696 CB 1.705 47 residues pruned to eliminate duplicates Z: 17 16.990 1.954 1.032 0.472 0.812 0.500 CB 1.355 17 residues pruned to eliminate duplicates Z: 66 49.118 2.350 1.105 0.433 0.908 0.492 CB 1.455 66 residues pruned to eliminate duplicates Z: 6 4.966 1.722 0.525 0.263 0.800 0.400 CB 1.385 6 residues pruned to eliminate duplicates Z: 24 30.425 2.378 1.127 0.391 0.913 0.522 CB 1.541 24 residues pruned to eliminate duplicates Z: 31 34.246 2.284 0.986 0.520 0.900 0.633 CB 1.501 31 residues pruned to eliminate duplicates Z: 12 27.651 2.010 1.089 0.819 1.000 0.727 CB 1.505 12 residues pruned to eliminate duplicates Z: 14 18.438 2.374 1.374 0.823 0.615 0.538 CB 1.114 14 residues pruned to eliminate duplicates Z: 83 85.446 2.437 1.203 0.569 0.939 0.646 CB 1.752 83 residues pruned to eliminate duplicates Z: 163 103.238 2.440 1.127 0.512 0.920 0.673 CB 1.679 163 residues pruned to eliminate duplicates Z: 28 45.499 2.374 1.146 0.533 0.963 0.741 CB 1.728 28 residues pruned to eliminate duplicates Z: 98 97.211 2.453 1.257 0.550 0.948 0.660 CB 1.790 98 residues pruned to eliminate duplicates Z: 10 30.054 2.199 1.009 0.907 1.000 0.667 CB 1.611 10 residues pruned to eliminate duplicates Z: 11 26.115 2.103 1.058 0.831 0.900 0.800 CB 1.592 11 residues pruned to eliminate duplicates Z: 10 17.456 2.220 0.973 0.387 0.889 0.444 CB 1.685 10 residues pruned to eliminate duplicates Z: 62 53.384 2.217 1.039 0.495 0.951 0.672 CB 1.598 62 residues pruned to eliminate duplicates Z: 34 35.412 2.218 1.025 0.399 0.909 0.485 CB 1.679 34 residues pruned to eliminate duplicates Z: 44 71.825 2.508 1.261 0.635 0.930 0.651 CB 1.830 44 residues pruned to eliminate duplicates Z: 19 51.785 2.715 1.442 0.703 0.944 0.500 CB 1.620 19 residues pruned to eliminate duplicates Z: 17 12.185 1.941 0.883 0.392 0.750 0.625 CB 1.245 17 residues pruned to eliminate duplicates Z: 62 43.207 2.335 0.998 0.426 0.836 0.525 CB 1.532 62 residues pruned to eliminate duplicates Z: 61 42.315 2.334 0.968 0.428 0.883 0.600 CB 1.450 61 residues pruned to eliminate duplicates Z: 9 26.203 2.124 1.296 0.688 1.000 0.750 CB 1.599 9 residues pruned to eliminate duplicates Z: 12 19.142 2.299 1.232 0.429 0.818 0.727 CB 1.479 12 residues pruned to eliminate duplicates Z: 41 76.763 2.565 1.223 0.705 0.975 0.775 CB 1.812 41 residues pruned to eliminate duplicates Z: 11 33.901 2.165 1.288 0.840 1.000 0.800 CB 1.615 11 residues pruned to eliminate duplicates Z: 145 104.381 2.454 1.156 0.521 0.944 0.625 CB 1.704 151 residues pruned to eliminate duplicates Z: 60 81.401 2.494 1.227 0.644 0.966 0.763 CB 1.726 60 residues pruned to eliminate duplicates Z: 77 34.799 2.138 0.874 0.396 0.829 0.434 CB 1.341 77 residues pruned to eliminate duplicates Z: 84 87.475 2.427 1.171 0.592 0.952 0.687 CB 1.754 84 residues pruned to eliminate duplicates Z: 36 49.629 2.333 1.346 0.433 0.943 0.657 CB 1.741 36 residues pruned to eliminate duplicates Z: 14 22.365 2.288 1.295 0.399 0.769 0.538 CB 1.708 14 residues pruned to eliminate duplicates Z: 24 65.036 2.507 1.069 0.916 1.000 0.652 CA 1.846 24 residues pruned to eliminate duplicates Z: 36 47.611 2.357 1.274 0.565 0.971 0.543 CB 1.451 36 residues pruned to eliminate duplicates Z: 10 13.473 1.678 0.367 0.808 1.000 0.667 CA 1.497 10 residues pruned to eliminate duplicates Z: 28 41.572 2.313 1.040 0.542 0.963 0.667 CB 1.691 28 residues pruned to eliminate duplicates Z: 12 5.588 1.763 0.443 0.363 0.818 0.455 CB 0.939 12 residues pruned to eliminate duplicates Z: 10 11.643 1.784 0.608 0.777 0.778 0.556 CA 1.362 10 residues pruned to eliminate duplicates Z: 49 52.204 2.309 1.208 0.434 0.917 0.646 CB 1.726 51 residues pruned to eliminate duplicates Z: 34 18.248 2.057 0.824 0.431 0.758 0.545 CB 1.201 34 residues pruned to eliminate duplicates Z: 42 53.536 2.380 1.144 0.441 0.951 0.610 CB 1.829 42 residues pruned to eliminate duplicates Z: 23 60.432 2.521 0.995 0.889 1.000 0.864 CA 1.844 23 residues pruned to eliminate duplicates Z: 136 97.089 2.426 1.151 0.532 0.904 0.644 CB 1.718 136 residues pruned to eliminate duplicates Z: 38 41.388 2.336 1.342 0.529 0.865 0.568 CB 1.397 38 residues pruned to eliminate duplicates Z: 74 89.793 2.421 1.208 0.634 0.959 0.685 CB 1.809 74 residues pruned to eliminate duplicates Z: 49 56.346 2.434 1.172 0.570 0.875 0.688 CB 1.644 49 residues pruned to eliminate duplicates Z: 31 32.394 2.188 1.052 0.495 0.867 0.600 CB 1.527 31 residues pruned to eliminate duplicates Z: 40 45.257 2.328 1.219 0.402 0.872 0.564 CB 1.784 40 residues pruned to eliminate duplicates Z: 35 35.521 2.299 1.175 0.484 0.882 0.529 CB 1.403 35 residues pruned to eliminate duplicates Z: 42 58.168 2.392 1.050 0.554 1.000 0.780 CB 1.758 42 residues pruned to eliminate duplicates Z: 6 2.061 1.627 0.188 0.274 0.600 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 15 15.605 2.133 0.881 0.378 0.857 0.571 CA 1.381 15 residues pruned to eliminate duplicates Z: 39 44.438 2.308 1.326 0.516 0.947 0.579 CB 1.395 40 residues pruned to eliminate duplicates Z: 13 18.888 1.963 0.761 0.770 0.917 0.667 CB 1.355 13 residues pruned to eliminate duplicates Z: 60 52.041 2.295 1.178 0.416 0.915 0.610 CB 1.618 58 residues pruned to eliminate duplicates Z: 150 104.810 2.452 1.193 0.524 0.919 0.658 CB 1.697 150 residues pruned to eliminate duplicates Z: 99 93.427 2.411 1.147 0.543 0.969 0.714 CB 1.803 101 residues pruned to eliminate duplicates Z: 27 19.316 2.149 0.820 0.397 0.769 0.423 CB 1.403 27 residues pruned to eliminate duplicates Z: 66 91.002 2.519 1.277 0.611 0.985 0.677 CB 1.799 66 residues pruned to eliminate duplicates Z: 13 9.751 1.984 0.843 0.359 0.750 0.333 CB 1.195 13 residues pruned to eliminate duplicates Z: 9 17.855 1.826 0.892 0.827 1.000 0.625 CA 1.377 9 residues pruned to eliminate duplicates Z: 85 77.891 2.352 1.144 0.563 0.952 0.714 CB 1.665 85 residues pruned to eliminate duplicates Z: 71 57.670 2.274 1.175 0.431 0.929 0.629 CB 1.611 71 residues pruned to eliminate duplicates Z: 31 35.661 2.231 1.301 0.369 0.900 0.567 CB 1.621 31 residues pruned to eliminate duplicates Z: 27 15.626 2.110 0.630 0.346 0.808 0.500 CB 1.304 27 residues pruned to eliminate duplicates 7 1.614 1.730 0.056 0.564 0.833 0.667 CB 0.406 ? Z: 7 5.002 1.437 0.839 0.542 0.833 0.500 N 0.890 7 residues pruned to eliminate duplicates Z: 70 70.974 2.444 1.135 0.539 0.928 0.652 CB 1.698 70 residues pruned to eliminate duplicates Z: 6 3.712 1.399 0.438 0.537 0.800 0.600 CB 0.995 Z: 17 26.461 2.267 1.189 0.382 0.875 0.625 CB 1.727 17 residues pruned to eliminate duplicates Z: 23 29.399 2.201 1.082 0.503 0.955 0.636 CB 1.428 23 residues pruned to eliminate duplicates Z: 24 74.743 2.480 1.338 0.903 1.000 0.522 CA 1.916 24 residues pruned to eliminate duplicates Z: 7 2.757 1.520 0.640 0.147 0.833 0.333 CB 0.838 Z: 108 89.860 2.424 1.228 0.522 0.925 0.645 CB 1.702 115 residues pruned to eliminate duplicates Z: 12 12.527 2.310 0.818 0.360 0.636 0.364 CB 1.643 12 residues pruned to eliminate duplicates Z: 8 9.550 1.907 0.645 0.711 0.857 0.429 CB 1.109 8 residues pruned to eliminate duplicates Z: 18 19.510 2.244 0.902 0.276 0.882 0.647 CA 1.619 18 residues pruned to eliminate duplicates Z: 102 94.035 2.424 1.268 0.533 0.941 0.673 CB 1.751 102 residues pruned to eliminate duplicates Z: 25 22.688 2.221 0.949 0.400 0.917 0.500 CB 1.297 25 residues pruned to eliminate duplicates Z: 76 68.584 2.373 1.239 0.443 0.920 0.667 CB 1.717 76 residues pruned to eliminate duplicates Z: 16 18.883 2.255 0.707 0.405 0.933 0.400 CB 1.499 16 residues pruned to eliminate duplicates Z: 81 87.874 2.436 1.228 0.576 0.963 0.713 CB 1.748 81 residues pruned to eliminate duplicates Z: 12 24.932 2.099 1.112 0.809 1.000 0.545 CB 1.295 12 residues pruned to eliminate duplicates Z: 9 13.987 1.997 1.551 0.447 0.750 0.625 CB 1.366 9 residues pruned to eliminate duplicates Z: 36 47.055 2.364 1.338 0.540 0.943 0.543 CB 1.467 36 residues pruned to eliminate duplicates Z: 55 43.423 2.355 1.261 0.355 0.870 0.556 CB 1.491 55 residues pruned to eliminate duplicates Z: 36 43.798 2.354 1.280 0.533 0.914 0.486 CB 1.461 36 residues pruned to eliminate duplicates Z: 26 30.689 2.173 1.070 0.539 0.880 0.640 CB 1.491 26 residues pruned to eliminate duplicates Z: 9 25.588 2.138 1.194 0.702 1.000 0.625 CB 1.605 9 residues pruned to eliminate duplicates Z: 16 14.897 2.097 0.593 0.351 0.867 0.600 CB 1.561 16 residues pruned to eliminate duplicates Z: 23 28.305 2.142 1.262 0.435 0.864 0.636 CB 1.543 23 residues pruned to eliminate duplicates Z: 16 9.958 2.146 0.722 0.222 0.733 0.333 CB 1.315 16 residues pruned to eliminate duplicates Z: 83 78.365 2.412 1.167 0.546 0.939 0.646 CB 1.685 83 residues pruned to eliminate duplicates Z: 129 96.010 2.480 1.191 0.536 0.891 0.648 CB 1.693 129 residues pruned to eliminate duplicates Z: 7 2.976 1.668 0.219 0.460 0.667 0.500 CB 0.934 7 residues pruned to eliminate duplicates Z: 110 100.780 2.453 1.296 0.527 0.954 0.670 CB 1.748 110 residues pruned to eliminate duplicates Z: 37 46.226 2.303 1.325 0.445 0.917 0.639 CB 1.660 37 residues pruned to eliminate duplicates Z: 35 34.841 2.159 1.124 0.521 0.912 0.500 CB 1.400 35 residues pruned to eliminate duplicates Z: 156 102.611 2.423 1.177 0.528 0.929 0.639 CB 1.637 156 residues pruned to eliminate duplicates Z: 8 10.924 1.872 0.522 0.805 0.857 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 6 3.349 1.796 0.430 0.100 1.000 0.600 CB 0.972 Z: 40 43.825 2.333 1.037 0.420 0.949 0.667 CB 1.692 40 residues pruned to eliminate duplicates Z: 23 48.050 2.514 0.698 0.920 0.955 0.818 CA 1.769 23 residues pruned to eliminate duplicates Z: 8 14.009 1.784 0.546 0.834 1.000 0.571 CB 1.440 8 residues pruned to eliminate duplicates Z: 10 23.542 2.221 0.983 0.874 0.889 0.556 CB 1.458 10 residues pruned to eliminate duplicates Z: 6 6.217 1.683 0.527 0.707 1.000 0.600 CA 0.896 6 residues pruned to eliminate duplicates Z: 17 15.362 2.068 0.937 0.361 0.875 0.500 CB 1.273 17 residues pruned to eliminate duplicates Z: 49 63.126 2.454 1.300 0.585 0.917 0.729 CB 1.623 49 residues pruned to eliminate duplicates Z: 16 13.025 2.035 0.881 0.382 0.733 0.467 CB 1.358 16 residues pruned to eliminate duplicates Z: 82 44.032 2.223 1.004 0.423 0.889 0.642 CB 1.338 82 residues pruned to eliminate duplicates Z: 7 4.922 1.636 0.220 0.395 1.000 0.833 N 1.125 Z: 13 13.410 2.164 1.024 0.324 0.750 0.500 CB 1.429 13 residues pruned to eliminate duplicates Z: 17 28.313 2.314 1.196 0.448 0.938 0.688 CB 1.568 17 residues pruned to eliminate duplicates Z: 111 85.924 2.425 1.122 0.495 0.936 0.655 CB 1.709 111 residues pruned to eliminate duplicates Z: 11 27.406 2.118 1.003 0.812 1.000 0.800 CA 1.557 11 residues pruned to eliminate duplicates Z: 111 94.959 2.404 1.312 0.522 0.927 0.682 CB 1.720 111 residues pruned to eliminate duplicates Z: 13 26.198 2.121 0.960 0.727 0.917 0.833 CA 1.617 13 residues pruned to eliminate duplicates Z: 99 82.722 2.414 1.084 0.548 0.929 0.643 CB 1.706 99 residues pruned to eliminate duplicates Z: 6 3.132 1.478 0.408 0.321 0.800 0.400 CA 1.025 Z: 13 14.415 2.352 0.560 0.343 0.917 0.667 CB 1.467 13 residues pruned to eliminate duplicates Z: 63 51.206 2.334 1.140 0.534 0.855 0.613 CB 1.473 63 residues pruned to eliminate duplicates Z: 13 7.418 2.052 0.489 0.241 0.750 0.583 CB 1.262 13 residues pruned to eliminate duplicates Z: 24 57.995 2.489 0.965 0.896 1.000 0.783 CA 1.771 24 residues pruned to eliminate duplicates Z: 19 42.052 2.354 0.869 0.886 0.944 0.833 CA 1.721 19 residues pruned to eliminate duplicates Z: 11 6.649 1.945 0.730 0.314 0.800 0.400 CB 0.959 11 residues pruned to eliminate duplicates Z: 92 81.731 2.393 1.183 0.527 0.923 0.637 CB 1.729 92 residues pruned to eliminate duplicates Z: 49 45.663 2.280 1.136 0.388 0.875 0.604 CB 1.741 49 residues pruned to eliminate duplicates Z: 10 6.502 1.789 0.372 0.486 0.889 0.667 CB 1.008 6 residues pruned to eliminate duplicates Z: 10 4.782 1.535 0.246 0.492 0.889 0.667 CB 0.945 Z: 12 24.086 2.455 0.917 0.363 1.000 0.455 CA 1.788 12 residues pruned to eliminate duplicates Z: 12 14.632 2.119 1.161 0.392 0.909 0.364 CB 1.188 12 residues pruned to eliminate duplicates Z: 107 98.103 2.436 1.323 0.532 0.934 0.651 CB 1.748 107 residues pruned to eliminate duplicates Z: 34 33.193 2.189 0.879 0.510 0.939 0.636 CB 1.480 34 residues pruned to eliminate duplicates Z: 36 23.032 2.099 1.023 0.429 0.829 0.571 CB 1.191 36 residues pruned to eliminate duplicates Z: 20 17.609 1.988 1.109 0.311 0.737 0.474 CB 1.613 20 residues pruned to eliminate duplicates Z: 33 37.778 2.311 1.018 0.483 0.844 0.500 CB 1.727 33 residues pruned to eliminate duplicates Z: 46 39.432 2.316 1.291 0.446 0.889 0.489 CB 1.318 46 residues pruned to eliminate duplicates Z: 89 77.579 2.375 1.098 0.541 0.898 0.636 CB 1.777 89 residues pruned to eliminate duplicates Z: 37 27.621 2.061 0.989 0.436 0.889 0.528 CB 1.350 37 residues pruned to eliminate duplicates Z: 15 35.179 2.468 1.003 0.766 0.857 0.786 CB 1.752 15 residues pruned to eliminate duplicates Z: 60 51.646 2.397 1.040 0.472 0.915 0.593 CB 1.545 60 residues pruned to eliminate duplicates Z: 32 36.272 2.416 0.891 0.472 0.903 0.613 CB 1.625 32 residues pruned to eliminate duplicates Z: 16 27.100 2.300 1.053 0.651 1.000 0.667 CB 1.287 16 residues pruned to eliminate duplicates 6 1.530 1.507 0.161 0.244 0.800 0.200 CB 0.657 ? Z: 84 79.316 2.390 1.166 0.522 0.952 0.578 CB 1.729 84 residues pruned to eliminate duplicates Z: 36 37.797 2.363 0.955 0.478 0.857 0.543 CB 1.649 36 residues pruned to eliminate duplicates Z: 97 91.983 2.444 1.269 0.535 0.938 0.604 CB 1.745 97 residues pruned to eliminate duplicates Z: 8 9.251 1.846 0.533 0.759 0.714 0.286 CB 1.375 8 residues pruned to eliminate duplicates Z: 108 86.542 2.407 1.133 0.517 0.963 0.654 CB 1.665 108 residues pruned to eliminate duplicates Z: 7 3.385 1.538 -0.247 0.561 0.833 0.667 O 1.350 6 residues pruned to eliminate duplicates Z: 16 11.111 1.701 0.648 0.433 0.867 0.600 N 1.266 9 residues pruned to eliminate duplicates 439 residues left after pruning, divided into chains as follows: A: 219 B: 220 CC for partial structure against native data = 45.86 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.787, Connect. = 0.779 for dens.mod. cycle 1 = 0.300, Contrast = 0.905, Connect. = 0.807 for dens.mod. cycle 2 = 0.300, Contrast = 1.120, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 1.152, Connect. = 0.831 for dens.mod. cycle 4 = 0.300, Contrast = 1.178, Connect. = 0.832 for dens.mod. cycle 5 = 0.300, Contrast = 1.184, Connect. = 0.833 for dens.mod. cycle 6 = 0.300, Contrast = 1.191, Connect. = 0.834 for dens.mod. cycle 7 = 0.300, Contrast = 1.192, Connect. = 0.835 for dens.mod. cycle 8 = 0.300, Contrast = 1.194, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 1.193, Connect. = 0.835 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2692 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 72.326 2.694 1.049 0.917 1.000 0.818 CA 1.971 B: 35 42.802 2.561 0.862 0.482 0.882 0.676 CB 1.775 C: 24 53.254 2.618 0.649 0.919 1.000 0.826 CA 1.813 24 residues pruned to eliminate duplicates D: 12 15.127 2.274 1.065 0.356 0.727 0.455 CB 1.560 12 residues pruned to eliminate duplicates E: 23 63.494 2.677 0.941 0.916 0.955 0.773 CA 1.927 23 residues pruned to eliminate duplicates F: 23 59.200 2.688 0.710 0.904 1.000 0.818 CA 1.955 23 residues pruned to eliminate duplicates G: 24 64.606 2.636 0.943 0.923 1.000 0.913 CA 1.848 23 residues pruned to eliminate duplicates H: 24 51.424 2.586 0.728 0.843 0.957 0.783 CB 1.869 I: 23 64.809 2.688 0.984 0.921 0.955 0.864 CA 1.910 23 residues pruned to eliminate duplicates J: 23 62.211 2.669 0.835 0.936 1.000 0.909 CA 1.885 24 residues pruned to eliminate duplicates K: 24 56.573 2.567 0.739 0.913 1.000 0.826 CA 1.870 24 residues pruned to eliminate duplicates L: 24 59.593 2.535 0.843 0.909 1.000 0.870 CA 1.887 24 residues pruned to eliminate duplicates M: 15 46.692 2.584 1.572 0.818 0.929 0.786 CB 1.534 N: 15 42.939 2.474 1.109 0.830 1.000 0.714 CB 1.654 15 residues pruned to eliminate duplicates O: 14 47.451 2.642 1.290 0.827 0.923 0.846 CB 1.776 14 residues pruned to eliminate duplicates P: 15 47.786 2.489 1.298 0.925 1.000 0.786 CB 1.566 Q: 23 56.153 2.638 0.627 0.922 1.000 0.909 CB 1.961 24 residues pruned to eliminate duplicates R: 15 43.334 2.518 0.918 0.901 1.000 0.786 CB 1.712 15 residues pruned to eliminate duplicates S: 23 55.940 2.622 0.799 0.887 0.955 0.909 CA 1.909 23 residues pruned to eliminate duplicates T: 22 62.617 2.700 0.867 0.912 0.952 0.714 CB 2.016 23 residues pruned to eliminate duplicates U: 24 67.927 2.633 1.038 0.913 1.000 0.739 CA 1.867 24 residues pruned to eliminate duplicates V: 14 49.588 2.670 1.437 0.840 0.923 0.692 CA 1.709 14 residues pruned to eliminate duplicates W: 77 75.319 2.491 1.109 0.459 0.947 0.697 CB 1.811 X: 23 77.746 2.686 1.195 0.928 1.000 0.818 CA 1.969 23 residues pruned to eliminate duplicates Y: 14 51.774 2.679 1.504 0.865 0.923 0.692 CA 1.699 15 residues pruned to eliminate duplicates Z: 23 73.595 2.620 1.190 0.911 1.000 0.636 CA 1.938 22 residues pruned to eliminate duplicates Z: 20 31.795 2.578 0.814 0.408 0.895 0.579 CB 1.920 20 residues pruned to eliminate duplicates Z: 23 55.885 2.616 0.732 0.902 1.000 0.864 CA 1.876 23 residues pruned to eliminate duplicates Z: 24 48.780 2.497 0.652 0.932 1.000 0.913 CA 1.722 24 residues pruned to eliminate duplicates Z: 14 46.497 2.547 1.097 0.896 1.000 0.769 CA 1.729 14 residues pruned to eliminate duplicates Z: 23 71.553 2.598 1.127 0.941 1.000 0.773 CB 1.915 22 residues pruned to eliminate duplicates Z: 24 62.692 2.555 1.147 0.874 0.957 0.609 CB 1.814 24 residues pruned to eliminate duplicates Z: 109 97.996 2.543 1.197 0.504 0.907 0.630 CB 1.853 100 residues pruned to eliminate duplicates Z: 75 49.037 2.464 0.915 0.429 0.797 0.541 CB 1.631 49 residues pruned to eliminate duplicates Z: 75 80.944 2.433 1.071 0.562 0.986 0.662 CB 1.783 27 residues pruned to eliminate duplicates Z: 80 43.168 2.321 0.909 0.407 0.848 0.506 CB 1.426 15 residues pruned to eliminate duplicates Z: 23 60.651 2.645 0.851 0.910 1.000 0.909 CA 1.872 23 residues pruned to eliminate duplicates Z: 21 86.699 2.790 1.299 0.918 1.000 0.750 CA 2.132 21 residues pruned to eliminate duplicates Z: 16 34.029 2.338 1.137 0.843 0.867 0.800 CB 1.510 16 residues pruned to eliminate duplicates Z: 11 16.180 2.236 0.772 0.706 0.700 0.600 CB 1.529 11 residues pruned to eliminate duplicates Z: 15 49.196 2.508 1.310 0.860 1.000 0.786 CA 1.669 15 residues pruned to eliminate duplicates Z: 13 15.616 2.376 0.857 0.306 0.833 0.583 CB 1.521 13 residues pruned to eliminate duplicates Z: 13 34.519 2.241 1.120 0.761 1.000 0.417 CA 1.664 Z: 10 16.248 2.261 0.663 0.799 0.778 0.778 CB 1.425 10 residues pruned to eliminate duplicates Z: 22 71.612 2.671 1.132 0.926 1.000 0.762 CB 1.923 22 residues pruned to eliminate duplicates Z: 47 55.983 2.553 1.035 0.577 0.913 0.674 CB 1.615 52 residues pruned to eliminate duplicates Z: 63 47.014 2.383 0.977 0.484 0.871 0.548 CB 1.479 61 residues pruned to eliminate duplicates Z: 50 46.684 2.466 1.051 0.426 0.898 0.449 CB 1.586 39 residues pruned to eliminate duplicates Z: 15 46.887 2.487 1.134 0.901 1.000 0.571 CB 1.685 15 residues pruned to eliminate duplicates Z: 11 16.637 2.213 0.501 0.762 0.900 0.700 CB 1.395 11 residues pruned to eliminate duplicates Z: 39 47.687 2.411 1.251 0.404 0.868 0.605 CB 1.816 39 residues pruned to eliminate duplicates Z: 16 18.181 2.331 1.018 0.398 0.800 0.467 CB 1.389 17 residues pruned to eliminate duplicates Z: 24 63.101 2.545 1.005 0.933 1.000 0.913 CA 1.800 24 residues pruned to eliminate duplicates Z: 108 101.272 2.559 1.173 0.522 0.944 0.682 CB 1.825 108 residues pruned to eliminate duplicates Z: 32 24.190 2.376 0.905 0.318 0.806 0.484 CB 1.454 32 residues pruned to eliminate duplicates Z: 24 54.630 2.581 0.652 0.925 1.000 0.826 CA 1.875 24 residues pruned to eliminate duplicates Z: 24 58.988 2.539 0.928 0.914 0.957 0.739 CA 1.858 24 residues pruned to eliminate duplicates Z: 24 53.146 2.489 0.802 0.921 0.957 0.783 CB 1.817 24 residues pruned to eliminate duplicates Z: 16 17.197 2.359 0.850 0.330 0.867 0.333 CB 1.415 16 residues pruned to eliminate duplicates Z: 83 83.505 2.468 1.028 0.552 0.963 0.695 CB 1.819 72 residues pruned to eliminate duplicates Z: 84 47.742 2.346 0.928 0.424 0.855 0.518 CB 1.466 84 residues pruned to eliminate duplicates Z: 24 65.552 2.615 1.007 0.923 1.000 0.913 CA 1.830 24 residues pruned to eliminate duplicates Z: 37 61.567 2.574 1.220 0.443 0.972 0.556 CB 1.959 39 residues pruned to eliminate duplicates Z: 22 68.498 2.611 1.084 0.935 0.952 0.714 CB 2.010 22 residues pruned to eliminate duplicates Z: 69 89.113 2.588 1.114 0.601 0.956 0.721 CB 1.878 69 residues pruned to eliminate duplicates Z: 73 71.260 2.492 0.902 0.563 0.958 0.597 CB 1.739 73 residues pruned to eliminate duplicates Z: 97 64.043 2.462 0.995 0.445 0.896 0.562 CB 1.572 84 residues pruned to eliminate duplicates Z: 108 93.842 2.513 1.079 0.515 0.963 0.664 CB 1.777 83 residues pruned to eliminate duplicates Z: 11 12.656 2.222 0.790 0.369 0.700 0.300 CA 1.654 11 residues pruned to eliminate duplicates Z: 24 62.078 2.553 0.903 0.931 1.000 0.696 CA 1.862 24 residues pruned to eliminate duplicates Z: 72 66.643 2.471 1.089 0.431 0.915 0.634 CB 1.797 71 residues pruned to eliminate duplicates Z: 40 44.197 2.418 1.063 0.399 0.897 0.564 CB 1.758 39 residues pruned to eliminate duplicates Z: 24 51.260 2.562 0.685 0.914 1.000 0.913 CA 1.751 24 residues pruned to eliminate duplicates Z: 108 94.794 2.512 1.062 0.520 0.963 0.654 CB 1.801 109 residues pruned to eliminate duplicates Z: 40 41.222 2.477 1.020 0.367 0.821 0.615 CB 1.854 40 residues pruned to eliminate duplicates Z: 24 58.509 2.549 0.830 0.920 1.000 0.913 CA 1.842 24 residues pruned to eliminate duplicates Z: 12 30.328 2.332 0.949 0.808 0.909 0.636 CB 1.692 12 residues pruned to eliminate duplicates Z: 39 51.473 2.531 1.092 0.393 0.921 0.553 CB 1.917 39 residues pruned to eliminate duplicates Z: 109 97.922 2.559 1.059 0.524 0.935 0.667 CB 1.868 109 residues pruned to eliminate duplicates Z: 21 16.965 2.138 0.554 0.345 0.850 0.500 CB 1.590 21 residues pruned to eliminate duplicates Z: 109 97.252 2.544 1.098 0.504 0.944 0.620 CB 1.849 109 residues pruned to eliminate duplicates Z: 108 93.340 2.528 1.093 0.513 0.944 0.664 CB 1.784 108 residues pruned to eliminate duplicates Z: 110 96.325 2.527 1.083 0.497 0.945 0.651 CB 1.860 110 residues pruned to eliminate duplicates Z: 108 83.191 2.496 0.991 0.491 0.935 0.589 CB 1.748 108 residues pruned to eliminate duplicates Z: 15 43.410 2.521 1.268 0.779 0.929 0.571 CB 1.708 15 residues pruned to eliminate duplicates Z: 108 87.289 2.505 1.016 0.517 0.916 0.673 CB 1.794 108 residues pruned to eliminate duplicates Z: 51 57.689 2.584 0.997 0.523 0.900 0.660 CB 1.718 48 residues pruned to eliminate duplicates Z: 23 63.916 2.619 0.995 0.937 0.955 0.818 CA 1.902 23 residues pruned to eliminate duplicates Z: 11 17.164 2.166 0.838 0.726 0.900 0.700 CB 1.236 11 residues pruned to eliminate duplicates Z: 22 67.604 2.688 0.973 0.906 1.000 0.762 CA 1.979 22 residues pruned to eliminate duplicates Z: 128 89.903 2.468 1.070 0.513 0.913 0.646 CB 1.688 128 residues pruned to eliminate duplicates Z: 12 38.882 2.442 1.104 0.815 1.000 0.909 CA 1.735 12 residues pruned to eliminate duplicates Z: 70 85.094 2.571 1.092 0.583 0.957 0.681 CB 1.838 70 residues pruned to eliminate duplicates Z: 24 35.167 2.204 1.169 0.423 0.957 0.652 CB 1.738 24 residues pruned to eliminate duplicates Z: 28 43.891 2.620 0.988 0.535 0.926 0.556 CB 1.693 27 residues pruned to eliminate duplicates Z: 15 38.120 2.386 0.992 0.864 1.000 0.571 CA 1.572 15 residues pruned to eliminate duplicates Z: 57 42.530 2.367 1.117 0.420 0.875 0.446 CB 1.408 57 residues pruned to eliminate duplicates Z: 11 7.986 2.038 0.580 0.418 0.700 0.500 CA 1.221 11 residues pruned to eliminate duplicates Z: 7 11.145 1.910 0.750 0.624 1.000 0.667 CB 1.211 7 residues pruned to eliminate duplicates Z: 14 17.089 2.169 0.737 0.437 0.923 0.692 CB 1.454 Z: 11 26.704 2.188 0.782 0.830 1.000 0.800 CB 1.629 Z: 47 35.752 2.467 0.821 0.373 0.826 0.543 CB 1.627 47 residues pruned to eliminate duplicates Z: 70 84.309 2.543 1.180 0.567 0.971 0.667 CB 1.767 70 residues pruned to eliminate duplicates Z: 52 52.259 2.564 0.942 0.499 0.882 0.608 CB 1.668 52 residues pruned to eliminate duplicates Z: 67 52.232 2.377 1.012 0.481 0.864 0.576 CB 1.588 67 residues pruned to eliminate duplicates Z: 109 93.347 2.507 1.100 0.518 0.944 0.704 CB 1.775 109 residues pruned to eliminate duplicates Z: 11 20.696 2.115 0.826 0.757 0.900 0.400 CB 1.497 11 residues pruned to eliminate duplicates Z: 23 44.316 2.578 1.202 0.581 0.909 0.682 CA 1.694 23 residues pruned to eliminate duplicates Z: 158 118.053 2.540 1.143 0.521 0.949 0.682 CB 1.786 160 residues pruned to eliminate duplicates Z: 40 79.332 2.638 1.163 0.701 0.949 0.641 CB 1.955 40 residues pruned to eliminate duplicates Z: 9 13.859 1.965 1.357 0.509 0.750 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 15 46.325 2.446 1.288 0.851 1.000 0.857 CA 1.637 15 residues pruned to eliminate duplicates Z: 111 82.899 2.460 1.052 0.496 0.900 0.636 CB 1.746 111 residues pruned to eliminate duplicates Z: 71 83.214 2.542 1.092 0.585 0.943 0.657 CB 1.829 71 residues pruned to eliminate duplicates Z: 65 32.911 2.172 0.888 0.383 0.828 0.453 CB 1.372 53 residues pruned to eliminate duplicates Z: 24 55.680 2.588 1.058 0.858 0.913 0.826 CA 1.757 24 residues pruned to eliminate duplicates Z: 48 52.208 2.445 1.199 0.390 0.915 0.574 CB 1.740 49 residues pruned to eliminate duplicates Z: 24 51.840 2.482 0.781 0.873 0.957 0.783 CA 1.863 24 residues pruned to eliminate duplicates Z: 108 90.882 2.503 1.145 0.503 0.916 0.589 CB 1.782 108 residues pruned to eliminate duplicates Z: 33 28.304 2.266 0.928 0.345 0.844 0.625 CB 1.605 33 residues pruned to eliminate duplicates Z: 13 31.378 2.265 1.047 0.768 0.917 0.583 CA 1.681 13 residues pruned to eliminate duplicates Z: 109 95.498 2.556 1.089 0.511 0.935 0.648 CB 1.820 109 residues pruned to eliminate duplicates Z: 108 101.540 2.560 1.170 0.522 0.935 0.682 CB 1.850 108 residues pruned to eliminate duplicates Z: 17 35.132 2.264 0.895 0.871 1.000 0.750 CB 1.494 17 residues pruned to eliminate duplicates Z: 107 94.247 2.502 1.080 0.530 0.981 0.670 CB 1.741 107 residues pruned to eliminate duplicates Z: 7 4.741 1.857 0.701 0.295 0.667 0.667 CB 1.157 7 residues pruned to eliminate duplicates Z: 23 60.042 2.646 0.781 0.920 1.000 0.909 CA 1.913 23 residues pruned to eliminate duplicates Z: 23 61.643 2.598 0.990 0.943 0.955 0.773 CB 1.846 23 residues pruned to eliminate duplicates Z: 108 96.523 2.511 1.126 0.515 0.953 0.748 CB 1.806 108 residues pruned to eliminate duplicates Z: 108 87.274 2.488 1.049 0.519 0.916 0.692 CB 1.773 108 residues pruned to eliminate duplicates Z: 69 83.420 2.581 0.979 0.592 0.956 0.706 CB 1.898 69 residues pruned to eliminate duplicates Z: 11 33.337 2.411 0.867 0.913 1.000 0.500 CB 1.657 11 residues pruned to eliminate duplicates Z: 69 92.900 2.578 1.152 0.596 0.971 0.691 CB 1.910 69 residues pruned to eliminate duplicates Z: 70 75.643 2.533 0.961 0.585 0.942 0.710 CB 1.793 70 residues pruned to eliminate duplicates Z: 10 17.277 2.107 0.638 0.789 0.889 0.556 CB 1.457 10 residues pruned to eliminate duplicates Z: 23 62.960 2.628 0.871 0.934 1.000 0.773 CA 1.903 23 residues pruned to eliminate duplicates Z: 50 50.109 2.452 1.147 0.364 0.878 0.469 CB 1.792 50 residues pruned to eliminate duplicates Z: 108 88.105 2.472 1.023 0.515 0.935 0.607 CB 1.796 108 residues pruned to eliminate duplicates Z: 100 102.682 2.562 1.137 0.545 0.960 0.687 CB 1.879 99 residues pruned to eliminate duplicates Z: 82 85.432 2.481 1.120 0.569 0.963 0.691 CB 1.754 82 residues pruned to eliminate duplicates Z: 107 80.890 2.449 1.075 0.498 0.906 0.613 CB 1.711 107 residues pruned to eliminate duplicates Z: 24 67.588 2.594 1.027 0.924 1.000 0.696 CA 1.882 24 residues pruned to eliminate duplicates Z: 108 98.970 2.559 1.103 0.513 0.944 0.589 CB 1.860 108 residues pruned to eliminate duplicates Z: 83 79.145 2.449 1.009 0.557 0.939 0.634 CB 1.789 83 residues pruned to eliminate duplicates Z: 81 88.078 2.543 1.099 0.577 0.938 0.725 CB 1.826 81 residues pruned to eliminate duplicates Z: 51 57.938 2.593 1.045 0.510 0.880 0.600 CB 1.737 51 residues pruned to eliminate duplicates Z: 108 100.726 2.570 1.118 0.537 0.925 0.645 CB 1.864 108 residues pruned to eliminate duplicates Z: 116 87.306 2.531 0.935 0.539 0.930 0.704 CB 1.719 116 residues pruned to eliminate duplicates Z: 9 23.149 2.285 1.401 0.558 0.875 0.750 CB 1.611 9 residues pruned to eliminate duplicates Z: 108 95.342 2.528 1.072 0.517 0.963 0.720 CB 1.797 108 residues pruned to eliminate duplicates Z: 37 32.929 2.249 1.065 0.495 0.861 0.556 CB 1.379 37 residues pruned to eliminate duplicates Z: 109 105.425 2.556 1.177 0.525 0.954 0.593 CB 1.866 109 residues pruned to eliminate duplicates Z: 112 87.415 2.459 1.089 0.514 0.919 0.613 CB 1.733 112 residues pruned to eliminate duplicates Z: 128 102.542 2.527 1.190 0.521 0.929 0.654 CB 1.733 128 residues pruned to eliminate duplicates Z: 106 101.323 2.531 1.068 0.554 0.990 0.686 CB 1.810 107 residues pruned to eliminate duplicates Z: 50 47.824 2.403 1.120 0.395 0.857 0.673 CB 1.749 50 residues pruned to eliminate duplicates Z: 109 101.742 2.561 1.172 0.516 0.935 0.676 CB 1.854 109 residues pruned to eliminate duplicates Z: 100 70.168 2.513 1.065 0.450 0.879 0.566 CB 1.627 100 residues pruned to eliminate duplicates Z: 40 47.175 2.463 1.127 0.392 0.872 0.513 CB 1.855 40 residues pruned to eliminate duplicates Z: 11 27.504 2.194 0.737 0.860 1.000 0.900 CB 1.678 11 residues pruned to eliminate duplicates Z: 109 101.662 2.554 1.138 0.515 0.935 0.657 CB 1.887 109 residues pruned to eliminate duplicates Z: 48 56.891 2.490 1.198 0.429 0.915 0.681 CB 1.784 48 residues pruned to eliminate duplicates Z: 24 64.027 2.534 1.051 0.928 0.957 0.565 CB 1.880 24 residues pruned to eliminate duplicates Z: 24 74.095 2.619 1.101 0.930 1.000 0.696 CA 1.963 24 residues pruned to eliminate duplicates Z: 70 79.124 2.513 1.053 0.603 0.942 0.638 CB 1.778 70 residues pruned to eliminate duplicates Z: 69 84.976 2.596 1.075 0.587 0.941 0.662 CB 1.870 69 residues pruned to eliminate duplicates Z: 8 12.239 2.154 1.431 0.321 0.857 0.857 CB 1.256 8 residues pruned to eliminate duplicates Z: 24 61.606 2.595 0.933 0.906 0.957 0.739 CA 1.905 24 residues pruned to eliminate duplicates Z: 11 19.197 2.063 0.894 0.746 0.800 0.600 CA 1.558 11 residues pruned to eliminate duplicates Z: 14 25.452 2.150 0.962 0.704 0.923 0.538 CA 1.506 14 residues pruned to eliminate duplicates Z: 14 48.915 2.668 1.367 0.874 0.923 0.769 CA 1.695 14 residues pruned to eliminate duplicates Z: 106 90.677 2.515 1.055 0.491 0.952 0.695 CB 1.814 106 residues pruned to eliminate duplicates Z: 71 80.426 2.535 1.071 0.593 0.943 0.686 CB 1.777 71 residues pruned to eliminate duplicates Z: 23 69.724 2.640 1.051 0.933 1.000 0.636 CA 1.915 23 residues pruned to eliminate duplicates Z: 108 89.405 2.508 1.030 0.523 0.925 0.701 CB 1.793 108 residues pruned to eliminate duplicates Z: 69 87.920 2.572 1.122 0.614 0.941 0.676 CB 1.864 69 residues pruned to eliminate duplicates Z: 64 51.865 2.381 1.015 0.507 0.857 0.651 CB 1.578 64 residues pruned to eliminate duplicates Z: 52 52.799 2.400 1.153 0.393 0.902 0.588 CB 1.776 53 residues pruned to eliminate duplicates Z: 50 47.275 2.373 1.056 0.401 0.898 0.653 CB 1.711 50 residues pruned to eliminate duplicates Z: 7 15.334 2.407 0.578 0.641 0.833 0.667 CA 1.734 7 residues pruned to eliminate duplicates Z: 12 23.862 2.049 0.699 0.835 1.000 0.909 CB 1.549 12 residues pruned to eliminate duplicates Z: 10 4.432 1.596 0.120 0.453 0.778 0.556 CB 1.115 9 residues pruned to eliminate duplicates Z: 66 45.096 2.379 1.164 0.402 0.846 0.431 CB 1.424 66 residues pruned to eliminate duplicates Z: 108 97.693 2.492 1.169 0.532 0.935 0.682 CB 1.811 108 residues pruned to eliminate duplicates Z: 18 34.400 2.217 0.863 0.823 1.000 0.765 CA 1.528 18 residues pruned to eliminate duplicates Z: 23 25.414 2.449 0.873 0.344 0.864 0.455 CB 1.621 23 residues pruned to eliminate duplicates Z: 13 28.821 2.340 0.953 0.758 0.917 0.667 CA 1.578 13 residues pruned to eliminate duplicates Z: 50 55.325 2.491 1.096 0.392 0.918 0.551 CB 1.847 50 residues pruned to eliminate duplicates Z: 112 68.380 2.383 1.026 0.478 0.910 0.523 CB 1.510 114 residues pruned to eliminate duplicates Z: 23 47.095 2.623 1.265 0.676 0.864 0.636 CB 1.663 23 residues pruned to eliminate duplicates Z: 7 3.797 1.548 0.686 0.344 0.667 0.667 CA 1.056 7 residues pruned to eliminate duplicates Z: 22 19.889 2.263 1.119 0.284 0.810 0.476 CB 1.427 22 residues pruned to eliminate duplicates Z: 12 25.751 2.043 0.863 0.774 1.000 0.818 CB 1.602 12 residues pruned to eliminate duplicates Z: 48 52.940 2.508 1.021 0.549 0.894 0.660 CB 1.625 48 residues pruned to eliminate duplicates Z: 47 40.973 2.339 1.137 0.425 0.913 0.500 CB 1.431 47 residues pruned to eliminate duplicates Z: 32 36.958 2.471 0.921 0.389 0.903 0.452 CB 1.742 32 residues pruned to eliminate duplicates Z: 27 26.110 2.370 0.868 0.338 0.846 0.500 CB 1.631 27 residues pruned to eliminate duplicates Z: 23 37.586 2.482 1.286 0.388 0.909 0.636 CB 1.750 23 residues pruned to eliminate duplicates Z: 12 26.743 2.085 0.963 0.760 1.000 0.636 CB 1.563 12 residues pruned to eliminate duplicates Z: 38 35.701 2.199 1.138 0.510 0.892 0.514 CB 1.386 38 residues pruned to eliminate duplicates Z: 16 27.909 2.384 1.413 0.505 0.800 0.600 CB 1.558 16 residues pruned to eliminate duplicates Z: 37 45.122 2.382 1.125 0.505 0.944 0.528 CB 1.566 37 residues pruned to eliminate duplicates Z: 6 12.106 2.380 0.848 0.466 0.800 0.800 CB 1.592 5 residues pruned to eliminate duplicates Z: 51 37.151 2.279 1.057 0.428 0.880 0.560 CB 1.372 51 residues pruned to eliminate duplicates Z: 13 33.010 2.233 1.035 0.821 1.000 0.833 CA 1.589 13 residues pruned to eliminate duplicates Z: 6 10.690 1.886 0.485 0.752 1.000 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 51 45.159 2.279 1.037 0.442 0.920 0.660 CB 1.588 51 residues pruned to eliminate duplicates Z: 70 78.697 2.542 1.050 0.582 0.957 0.696 CB 1.756 70 residues pruned to eliminate duplicates Z: 12 5.466 1.728 0.522 0.319 0.818 0.545 CB 0.936 12 residues pruned to eliminate duplicates Z: 30 28.468 2.520 0.743 0.342 0.862 0.483 CB 1.658 30 residues pruned to eliminate duplicates Z: 120 91.577 2.507 1.040 0.545 0.899 0.681 CB 1.746 120 residues pruned to eliminate duplicates Z: 49 54.129 2.439 1.246 0.428 0.896 0.625 CB 1.715 49 residues pruned to eliminate duplicates Z: 108 88.572 2.491 1.061 0.508 0.925 0.645 CB 1.788 108 residues pruned to eliminate duplicates Z: 71 79.578 2.528 1.020 0.589 0.943 0.643 CB 1.813 71 residues pruned to eliminate duplicates Z: 12 18.616 2.421 0.542 0.425 0.909 0.727 CA 1.787 12 residues pruned to eliminate duplicates Z: 12 26.041 2.040 0.969 0.769 1.000 0.727 CB 1.540 12 residues pruned to eliminate duplicates Z: 7 6.512 1.833 0.390 0.481 0.833 0.667 CA 1.276 7 residues pruned to eliminate duplicates Z: 109 101.628 2.563 1.164 0.519 0.944 0.611 CB 1.832 109 residues pruned to eliminate duplicates Z: 107 90.322 2.485 1.088 0.531 0.943 0.698 CB 1.739 107 residues pruned to eliminate duplicates Z: 65 67.456 2.499 0.928 0.579 0.938 0.656 CB 1.730 65 residues pruned to eliminate duplicates Z: 47 37.562 2.346 0.964 0.442 0.826 0.652 CB 1.545 47 residues pruned to eliminate duplicates Z: 107 87.931 2.486 1.061 0.520 0.934 0.642 CB 1.750 107 residues pruned to eliminate duplicates Z: 27 31.804 2.447 0.979 0.504 0.846 0.500 CB 1.516 27 residues pruned to eliminate duplicates Z: 6 11.022 1.680 0.715 0.838 1.000 0.600 CB 1.279 6 residues pruned to eliminate duplicates Z: 24 56.568 2.510 0.953 0.922 0.913 0.609 CA 1.853 24 residues pruned to eliminate duplicates Z: 11 7.233 1.953 0.451 0.355 0.800 0.500 CB 1.180 11 residues pruned to eliminate duplicates Z: 7 5.550 1.709 0.541 0.302 0.833 0.500 N 1.287 Z: 20 26.106 2.102 0.952 0.567 0.947 0.579 CB 1.445 20 residues pruned to eliminate duplicates Z: 14 14.462 2.043 0.609 0.466 0.846 0.692 CB 1.493 14 residues pruned to eliminate duplicates Z: 35 34.079 2.474 1.071 0.362 0.853 0.471 CB 1.553 35 residues pruned to eliminate duplicates Z: 47 60.702 2.627 1.004 0.528 0.913 0.609 CB 1.811 47 residues pruned to eliminate duplicates Z: 24 75.794 2.570 1.252 0.925 1.000 0.870 CA 1.917 24 residues pruned to eliminate duplicates Z: 15 25.944 2.357 1.263 0.497 0.857 0.714 CB 1.521 15 residues pruned to eliminate duplicates Z: 38 34.883 2.414 1.207 0.376 0.811 0.486 CB 1.515 38 residues pruned to eliminate duplicates Z: 16 36.120 2.512 1.432 0.418 0.933 0.667 CB 1.782 15 residues pruned to eliminate duplicates Z: 12 26.258 2.036 1.024 0.840 1.000 0.818 CB 1.434 12 residues pruned to eliminate duplicates Z: 14 17.339 2.286 0.941 0.337 0.769 0.538 CB 1.683 14 residues pruned to eliminate duplicates Z: 68 53.301 2.485 0.943 0.458 0.866 0.597 CB 1.627 68 residues pruned to eliminate duplicates Z: 12 25.853 2.045 0.940 0.800 1.000 0.727 CB 1.512 12 residues pruned to eliminate duplicates Z: 37 37.065 2.402 1.033 0.513 0.889 0.667 CB 1.405 37 residues pruned to eliminate duplicates Z: 57 59.528 2.508 1.104 0.425 0.929 0.679 CB 1.755 57 residues pruned to eliminate duplicates Z: 15 36.802 2.423 0.890 0.870 1.000 0.786 CB 1.568 15 residues pruned to eliminate duplicates Z: 10 18.844 2.425 0.614 0.474 1.000 0.778 CA 1.647 10 residues pruned to eliminate duplicates Z: 9 7.103 1.836 0.240 0.683 0.750 0.750 CB 1.243 9 residues pruned to eliminate duplicates Z: 23 27.286 2.203 0.899 0.433 0.955 0.773 CB 1.560 23 residues pruned to eliminate duplicates Z: 20 22.948 2.021 1.339 0.459 0.842 0.579 CB 1.379 20 residues pruned to eliminate duplicates Z: 51 46.768 2.397 1.133 0.450 0.900 0.560 CB 1.513 52 residues pruned to eliminate duplicates Z: 32 31.208 2.275 0.912 0.473 0.871 0.581 CB 1.521 32 residues pruned to eliminate duplicates Z: 46 52.219 2.439 1.178 0.411 0.911 0.622 CB 1.765 46 residues pruned to eliminate duplicates Z: 50 48.763 2.465 0.942 0.553 0.878 0.694 CB 1.575 50 residues pruned to eliminate duplicates Z: 43 80.594 2.651 1.228 0.668 0.952 0.667 CB 1.893 43 residues pruned to eliminate duplicates Z: 11 25.192 2.124 1.002 0.883 1.000 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 36 35.367 2.343 1.091 0.437 0.914 0.486 CB 1.423 36 residues pruned to eliminate duplicates Z: 9 17.648 1.972 0.609 0.812 1.000 0.750 CA 1.499 9 residues pruned to eliminate duplicates Z: 8 11.113 1.715 0.575 0.749 1.000 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 12 12.711 2.167 0.514 0.356 0.818 0.818 CB 1.667 12 residues pruned to eliminate duplicates Z: 108 91.032 2.506 1.060 0.511 0.944 0.664 CB 1.786 108 residues pruned to eliminate duplicates Z: 21 21.160 2.331 0.796 0.393 0.800 0.450 CB 1.583 21 residues pruned to eliminate duplicates Z: 48 67.820 2.670 1.034 0.564 0.915 0.681 CB 1.872 48 residues pruned to eliminate duplicates Z: 12 19.715 2.321 0.953 0.421 0.909 0.455 CB 1.566 12 residues pruned to eliminate duplicates Z: 30 39.586 2.340 0.941 0.528 0.966 0.621 CB 1.630 30 residues pruned to eliminate duplicates Z: 55 52.783 2.521 1.119 0.512 0.833 0.537 CB 1.595 55 residues pruned to eliminate duplicates Z: 43 68.858 2.573 0.976 0.672 0.929 0.786 CB 1.920 43 residues pruned to eliminate duplicates Z: 34 33.946 2.281 0.942 0.422 0.909 0.576 CB 1.592 34 residues pruned to eliminate duplicates Z: 39 22.251 2.090 0.874 0.413 0.816 0.500 CB 1.237 39 residues pruned to eliminate duplicates Z: 10 30.762 2.435 1.056 0.842 1.000 0.889 CB 1.527 10 residues pruned to eliminate duplicates Z: 39 35.358 2.323 0.998 0.455 0.868 0.447 CB 1.491 39 residues pruned to eliminate duplicates Z: 34 21.260 2.170 0.595 0.343 0.848 0.515 CB 1.495 34 residues pruned to eliminate duplicates Z: 49 57.078 2.501 1.070 0.561 0.896 0.625 CB 1.674 49 residues pruned to eliminate duplicates Z: 69 77.459 2.519 1.046 0.565 0.956 0.603 CB 1.790 69 residues pruned to eliminate duplicates Z: 11 10.009 2.126 1.055 0.266 0.900 0.500 CB 1.051 11 residues pruned to eliminate duplicates Z: 91 88.357 2.524 1.011 0.557 0.944 0.678 CB 1.839 91 residues pruned to eliminate duplicates Z: 19 32.172 2.419 0.971 0.495 1.000 0.722 CB 1.599 19 residues pruned to eliminate duplicates Z: 14 12.214 1.968 0.674 0.376 0.846 0.462 CB 1.387 14 residues pruned to eliminate duplicates Z: 57 47.192 2.414 1.001 0.458 0.911 0.536 CB 1.497 57 residues pruned to eliminate duplicates Z: 46 36.009 2.347 0.807 0.438 0.889 0.578 CB 1.517 46 residues pruned to eliminate duplicates Z: 28 41.416 2.531 1.016 0.414 0.926 0.667 CB 1.845 28 residues pruned to eliminate duplicates Z: 11 21.897 2.134 0.817 0.868 0.900 0.300 CB 1.451 11 residues pruned to eliminate duplicates Z: 6 6.829 2.173 0.128 0.790 0.800 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 109 87.385 2.472 1.057 0.519 0.935 0.648 CB 1.736 109 residues pruned to eliminate duplicates Z: 42 51.243 2.415 1.085 0.432 0.951 0.585 CB 1.792 42 residues pruned to eliminate duplicates Z: 44 38.582 2.338 0.894 0.529 0.860 0.419 CB 1.501 44 residues pruned to eliminate duplicates Z: 100 109.506 2.560 1.214 0.553 0.970 0.667 CB 1.901 100 residues pruned to eliminate duplicates Z: 41 35.354 2.398 1.198 0.412 0.800 0.550 CB 1.453 41 residues pruned to eliminate duplicates Z: 54 75.874 2.536 0.974 0.624 0.962 0.811 CB 1.925 54 residues pruned to eliminate duplicates Z: 22 20.841 2.325 0.860 0.390 0.857 0.667 CB 1.378 22 residues pruned to eliminate duplicates Z: 26 39.646 2.420 1.127 0.614 0.920 0.640 CB 1.502 26 residues pruned to eliminate duplicates Z: 41 49.906 2.399 1.206 0.390 0.875 0.625 CB 1.914 41 residues pruned to eliminate duplicates Z: 59 52.145 2.466 1.133 0.446 0.879 0.569 CB 1.565 59 residues pruned to eliminate duplicates Z: 56 53.005 2.467 1.023 0.515 0.855 0.636 CB 1.650 56 residues pruned to eliminate duplicates Z: 12 23.257 2.372 1.047 0.448 0.909 0.727 CA 1.675 12 residues pruned to eliminate duplicates Z: 74 82.240 2.532 0.977 0.586 0.959 0.712 CB 1.846 74 residues pruned to eliminate duplicates Z: 29 18.724 2.206 0.679 0.328 0.857 0.500 CB 1.346 29 residues pruned to eliminate duplicates Z: 11 18.337 2.197 1.041 0.436 0.900 0.700 CB 1.535 11 residues pruned to eliminate duplicates Z: 31 37.752 2.494 0.948 0.418 0.933 0.600 CB 1.656 31 residues pruned to eliminate duplicates Z: 13 17.224 2.037 0.375 0.728 1.000 0.500 CB 1.446 13 residues pruned to eliminate duplicates Z: 7 3.587 1.756 0.715 0.278 0.500 0.333 N 1.250 7 residues pruned to eliminate duplicates Z: 28 33.145 2.308 0.850 0.528 0.889 0.778 CB 1.635 28 residues pruned to eliminate duplicates Z: 104 90.005 2.516 0.997 0.520 0.961 0.650 CB 1.800 104 residues pruned to eliminate duplicates Z: 32 28.288 2.300 1.029 0.397 0.839 0.548 CB 1.448 32 residues pruned to eliminate duplicates Z: 11 16.877 2.052 0.738 0.739 0.900 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 7 3.067 1.689 0.007 0.246 0.833 0.333 N 1.184 7 residues pruned to eliminate duplicates Z: 16 37.013 2.498 0.883 0.798 0.867 0.733 CB 1.806 16 residues pruned to eliminate duplicates Z: 77 72.132 2.544 1.091 0.486 0.895 0.632 CB 1.762 77 residues pruned to eliminate duplicates Z: 9 15.679 1.957 0.588 0.784 1.000 0.625 CA 1.389 9 residues pruned to eliminate duplicates Z: 11 26.129 2.211 0.869 0.809 1.000 0.900 CA 1.528 11 residues pruned to eliminate duplicates Z: 15 28.762 2.449 1.167 0.425 0.929 0.643 CB 1.686 15 residues pruned to eliminate duplicates Z: 8 10.877 2.302 0.734 0.494 0.714 0.571 CB 1.450 8 residues pruned to eliminate duplicates Z: 19 5.899 1.853 0.483 0.225 0.611 0.278 CB 1.142 19 residues pruned to eliminate duplicates Z: 41 45.348 2.372 0.957 0.485 0.925 0.700 CB 1.695 41 residues pruned to eliminate duplicates Z: 10 28.010 2.232 1.119 0.854 1.000 0.778 CA 1.458 10 residues pruned to eliminate duplicates Z: 24 40.298 2.478 1.095 0.594 0.913 0.696 CB 1.620 24 residues pruned to eliminate duplicates Z: 92 86.392 2.461 1.061 0.563 0.956 0.648 CB 1.757 92 residues pruned to eliminate duplicates Z: 13 22.295 1.976 0.970 0.476 1.000 0.583 CB 1.693 13 residues pruned to eliminate duplicates Z: 43 72.343 2.632 1.061 0.654 0.929 0.714 CB 1.920 43 residues pruned to eliminate duplicates Z: 28 24.173 2.353 1.033 0.321 0.852 0.519 CB 1.390 28 residues pruned to eliminate duplicates Z: 91 87.811 2.523 1.029 0.546 0.933 0.567 CB 1.852 91 residues pruned to eliminate duplicates Z: 9 5.030 1.991 0.237 0.367 0.750 0.250 CB 1.111 9 residues pruned to eliminate duplicates Z: 8 14.091 1.951 0.347 0.801 1.000 0.429 CA 1.559 8 residues pruned to eliminate duplicates Z: 32 39.106 2.268 1.250 0.460 0.935 0.645 CB 1.534 32 residues pruned to eliminate duplicates Z: 108 90.932 2.499 1.013 0.517 0.944 0.673 CB 1.820 108 residues pruned to eliminate duplicates Z: 15 21.664 1.980 1.034 0.717 0.857 0.571 CB 1.378 15 residues pruned to eliminate duplicates Z: 109 99.400 2.541 1.162 0.517 0.944 0.630 CB 1.812 109 residues pruned to eliminate duplicates Z: 44 73.614 2.596 1.142 0.647 0.930 0.721 CB 1.892 44 residues pruned to eliminate duplicates Z: 12 32.017 2.343 0.917 0.750 1.000 0.636 CB 1.719 12 residues pruned to eliminate duplicates Z: 53 31.279 2.114 0.902 0.402 0.904 0.442 CB 1.323 53 residues pruned to eliminate duplicates Z: 23 57.330 2.628 0.867 0.895 0.909 0.682 CA 1.964 23 residues pruned to eliminate duplicates Z: 72 71.429 2.483 0.902 0.587 0.930 0.690 CB 1.776 72 residues pruned to eliminate duplicates Z: 55 38.332 2.412 0.799 0.389 0.852 0.463 CB 1.588 55 residues pruned to eliminate duplicates Z: 40 46.580 2.396 1.128 0.388 0.923 0.513 CB 1.785 40 residues pruned to eliminate duplicates Z: 93 81.851 2.473 1.067 0.493 0.946 0.685 CB 1.778 93 residues pruned to eliminate duplicates Z: 39 46.745 2.438 1.024 0.402 0.947 0.684 CB 1.799 39 residues pruned to eliminate duplicates Z: 6 4.055 1.506 0.288 0.477 0.800 0.600 CB 1.196 Z: 94 63.083 2.495 0.921 0.438 0.892 0.570 CB 1.629 94 residues pruned to eliminate duplicates Z: 10 8.019 1.997 0.448 0.361 0.778 0.667 CB 1.380 10 residues pruned to eliminate duplicates Z: 23 28.448 2.215 0.949 0.448 0.909 0.636 CB 1.631 23 residues pruned to eliminate duplicates Z: 28 46.781 2.537 1.221 0.384 0.963 0.667 CB 1.878 28 residues pruned to eliminate duplicates Z: 58 68.067 2.533 1.016 0.573 0.947 0.719 CB 1.737 58 residues pruned to eliminate duplicates Z: 12 6.249 1.680 0.578 0.415 0.727 0.636 CB 1.068 6 residues pruned to eliminate duplicates Z: 10 11.883 1.755 0.346 0.791 1.000 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 93 80.286 2.449 1.055 0.556 0.946 0.685 CB 1.666 93 residues pruned to eliminate duplicates Z: 63 52.165 2.404 0.984 0.511 0.839 0.645 CB 1.638 63 residues pruned to eliminate duplicates Z: 7 3.441 1.192 0.642 0.378 1.000 0.667 CA 0.817 Z: 81 85.098 2.469 1.168 0.570 0.975 0.688 CB 1.703 81 residues pruned to eliminate duplicates Z: 11 42.675 2.430 1.308 0.845 1.000 0.600 CB 1.789 11 residues pruned to eliminate duplicates Z: 25 33.195 2.479 0.940 0.404 0.875 0.583 CB 1.781 25 residues pruned to eliminate duplicates Z: 10 12.421 2.115 0.468 0.838 0.889 0.444 CB 1.121 10 residues pruned to eliminate duplicates Z: 6 2.135 1.393 0.707 0.293 0.600 0.600 C 0.844 Z: 24 63.522 2.564 1.053 0.915 0.913 0.522 CA 1.948 24 residues pruned to eliminate duplicates Z: 54 78.210 2.550 1.033 0.623 0.981 0.717 CB 1.881 54 residues pruned to eliminate duplicates Z: 21 26.534 2.380 1.037 0.343 0.850 0.550 CB 1.708 21 residues pruned to eliminate duplicates Z: 7 14.359 2.299 1.000 0.570 0.833 0.833 CB 1.429 7 residues pruned to eliminate duplicates Z: 9 13.408 1.869 0.651 0.822 0.875 0.625 CA 1.328 9 residues pruned to eliminate duplicates 6 1.828 1.492 0.427 0.292 0.600 0.600 CA 0.807 ? Z: 16 35.439 2.359 0.812 0.876 0.933 0.667 CB 1.668 16 residues pruned to eliminate duplicates Z: 74 72.160 2.478 0.946 0.556 0.945 0.671 CB 1.756 74 residues pruned to eliminate duplicates Z: 99 85.689 2.531 0.971 0.499 0.939 0.673 CB 1.851 99 residues pruned to eliminate duplicates Z: 23 21.728 2.146 0.878 0.390 0.864 0.636 CB 1.495 23 residues pruned to eliminate duplicates Z: 13 19.105 2.260 0.929 0.496 0.917 0.500 CB 1.386 13 residues pruned to eliminate duplicates Z: 11 22.590 2.150 0.845 0.796 1.000 0.800 CB 1.389 11 residues pruned to eliminate duplicates Z: 21 31.198 2.300 0.971 0.444 0.950 0.700 CB 1.716 21 residues pruned to eliminate duplicates Z: 33 36.056 2.452 0.960 0.399 0.875 0.625 CB 1.686 33 residues pruned to eliminate duplicates Z: 35 23.328 2.065 0.926 0.387 0.853 0.471 CB 1.330 35 residues pruned to eliminate duplicates Z: 12 19.636 1.948 0.646 0.787 0.909 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 103 89.340 2.451 1.093 0.525 0.931 0.676 CB 1.807 103 residues pruned to eliminate duplicates Z: 44 57.661 2.590 1.001 0.553 0.930 0.558 CB 1.733 44 residues pruned to eliminate duplicates Z: 25 28.599 2.309 0.990 0.457 0.875 0.583 CB 1.517 25 residues pruned to eliminate duplicates Z: 82 69.856 2.390 1.057 0.473 0.938 0.654 CB 1.729 82 residues pruned to eliminate duplicates Z: 7 3.284 1.488 0.341 0.553 0.833 0.500 CB 0.766 Z: 61 38.894 2.256 0.981 0.439 0.867 0.417 CB 1.381 61 residues pruned to eliminate duplicates Z: 49 44.090 2.358 0.943 0.504 0.875 0.667 CB 1.582 49 residues pruned to eliminate duplicates Z: 49 39.347 2.360 0.896 0.366 0.854 0.562 CB 1.716 49 residues pruned to eliminate duplicates Z: 17 11.628 2.109 0.944 0.261 0.750 0.500 CB 1.243 17 residues pruned to eliminate duplicates Z: 8 13.597 1.941 1.046 0.603 0.857 0.714 CA 1.368 8 residues pruned to eliminate duplicates Z: 82 69.973 2.453 1.040 0.464 0.914 0.704 CB 1.763 82 residues pruned to eliminate duplicates Z: 43 40.590 2.329 0.794 0.394 0.929 0.452 CB 1.805 43 residues pruned to eliminate duplicates Z: 67 44.263 2.402 1.056 0.419 0.848 0.530 CB 1.414 67 residues pruned to eliminate duplicates Z: 7 10.873 2.143 0.893 0.493 0.667 0.667 CB 1.653 7 residues pruned to eliminate duplicates Z: 7 3.757 1.681 0.161 0.494 0.833 0.333 CB 0.949 Z: 40 42.022 2.337 1.011 0.408 0.923 0.641 CB 1.710 40 residues pruned to eliminate duplicates Z: 32 30.685 2.311 0.785 0.476 0.968 0.613 CB 1.415 32 residues pruned to eliminate duplicates Z: 38 33.192 2.183 1.024 0.462 0.865 0.486 CB 1.484 38 residues pruned to eliminate duplicates Z: 14 15.190 2.243 0.762 0.395 0.923 0.385 CB 1.290 14 residues pruned to eliminate duplicates Z: 14 39.448 2.458 0.909 0.863 1.000 0.692 CB 1.711 14 residues pruned to eliminate duplicates Z: 11 32.429 2.451 1.555 0.640 1.000 0.800 CB 1.437 11 residues pruned to eliminate duplicates Z: 9 14.013 1.778 0.615 0.804 1.000 0.500 CB 1.324 9 residues pruned to eliminate duplicates Z: 51 47.677 2.438 1.049 0.532 0.880 0.580 CB 1.486 51 residues pruned to eliminate duplicates Z: 14 10.720 2.111 0.732 0.355 0.846 0.692 CB 1.124 14 residues pruned to eliminate duplicates Z: 35 27.090 2.312 0.849 0.360 0.882 0.559 CB 1.432 35 residues pruned to eliminate duplicates Z: 33 32.284 2.391 0.929 0.500 0.906 0.500 CB 1.364 33 residues pruned to eliminate duplicates Z: 78 80.132 2.499 1.151 0.469 0.948 0.701 CB 1.849 79 residues pruned to eliminate duplicates Z: 60 83.785 2.567 1.081 0.645 0.966 0.695 CB 1.846 60 residues pruned to eliminate duplicates Z: 10 19.124 2.414 1.174 0.390 0.889 0.556 CB 1.535 10 residues pruned to eliminate duplicates Z: 16 7.292 2.035 0.483 0.238 0.800 0.467 CB 1.057 16 residues pruned to eliminate duplicates Z: 85 91.363 2.554 1.107 0.595 0.952 0.655 CB 1.777 85 residues pruned to eliminate duplicates 6 1.163 0.989 0.537 0.799 1.000 0.400 C 0.263 ? Z: 7 4.908 1.625 0.370 0.778 0.833 0.667 CA 0.845 7 residues pruned to eliminate duplicates Z: 7 5.843 1.890 0.343 0.460 0.833 0.667 CB 1.175 7 residues pruned to eliminate duplicates Z: 36 39.074 2.383 1.074 0.372 0.886 0.657 CB 1.730 36 residues pruned to eliminate duplicates Z: 80 70.514 2.419 0.913 0.536 0.937 0.633 CB 1.766 80 residues pruned to eliminate duplicates Z: 14 20.938 2.045 0.991 0.497 0.846 0.538 CB 1.691 14 residues pruned to eliminate duplicates Z: 32 37.872 2.258 1.040 0.454 0.871 0.645 CB 1.776 32 residues pruned to eliminate duplicates Z: 15 20.980 2.150 0.648 0.503 1.000 0.786 CB 1.577 15 residues pruned to eliminate duplicates Z: 7 6.705 1.862 0.982 0.545 0.833 0.833 CB 0.852 Z: 17 30.320 2.414 1.150 0.425 0.938 0.625 CB 1.684 16 residues pruned to eliminate duplicates Z: 6 4.352 1.784 0.394 0.384 0.800 0.600 CB 1.107 6 residues pruned to eliminate duplicates Z: 8 2.618 1.566 0.881 0.333 0.571 0.429 CB 0.706 Z: 50 46.008 2.297 1.060 0.402 0.918 0.571 CB 1.677 50 residues pruned to eliminate duplicates Z: 7 6.235 2.156 0.459 0.417 0.833 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 11 11.152 2.005 0.297 0.804 0.900 0.700 CB 1.156 11 residues pruned to eliminate duplicates Z: 54 74.255 2.544 1.093 0.594 0.962 0.698 CB 1.819 54 residues pruned to eliminate duplicates Z: 88 86.643 2.486 1.062 0.553 0.920 0.724 CB 1.871 88 residues pruned to eliminate duplicates Z: 6 5.451 1.369 0.886 0.848 1.000 1.000 CB 0.700 Z: 118 67.219 2.320 0.927 0.466 0.889 0.667 CB 1.619 118 residues pruned to eliminate duplicates Z: 48 72.617 2.541 0.898 0.702 0.957 0.723 CB 1.909 48 residues pruned to eliminate duplicates Z: 10 13.861 2.226 1.449 0.315 0.667 0.444 CB 1.560 10 residues pruned to eliminate duplicates Z: 39 41.589 2.516 1.105 0.329 0.842 0.500 CB 1.825 39 residues pruned to eliminate duplicates Z: 22 25.764 2.237 0.943 0.409 0.905 0.571 CB 1.573 22 residues pruned to eliminate duplicates Z: 16 42.487 2.393 1.353 0.866 0.867 0.733 CB 1.646 16 residues pruned to eliminate duplicates Z: 51 46.878 2.375 0.986 0.489 0.960 0.540 CB 1.481 51 residues pruned to eliminate duplicates Z: 17 7.424 1.628 0.702 0.228 0.750 0.375 CB 1.227 17 residues pruned to eliminate duplicates Z: 15 44.029 2.383 1.323 0.837 0.929 0.643 CB 1.713 15 residues pruned to eliminate duplicates Z: 27 25.532 2.218 0.894 0.511 0.885 0.577 CB 1.333 27 residues pruned to eliminate duplicates Z: 62 89.194 2.558 1.279 0.616 0.951 0.770 CB 1.846 62 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 47 53.440 2.424 1.002 0.405 0.957 0.565 CB 1.875 47 residues pruned to eliminate duplicates Z: 6 4.213 1.732 0.898 0.339 0.600 0.600 CB 1.138 6 residues pruned to eliminate duplicates Z: 218 115.243 2.515 1.094 0.476 0.903 0.599 CB 1.685 218 residues pruned to eliminate duplicates Z: 109 92.312 2.500 1.024 0.527 0.954 0.713 CB 1.792 109 residues pruned to eliminate duplicates Z: 78 61.180 2.419 0.983 0.428 0.922 0.675 CB 1.699 78 residues pruned to eliminate duplicates Z: 28 35.944 2.448 0.969 0.370 0.926 0.556 CB 1.781 28 residues pruned to eliminate duplicates Z: 39 47.169 2.431 1.178 0.387 0.947 0.500 CB 1.720 40 residues pruned to eliminate duplicates Z: 7 11.087 1.909 0.872 0.311 1.000 0.500 CA 1.562 7 residues pruned to eliminate duplicates Z: 49 51.505 2.440 1.189 0.387 0.917 0.604 CB 1.712 49 residues pruned to eliminate duplicates Z: 49 54.726 2.454 1.274 0.405 0.875 0.604 CB 1.788 49 residues pruned to eliminate duplicates Z: 109 94.730 2.496 1.041 0.525 0.963 0.694 CB 1.813 109 residues pruned to eliminate duplicates Z: 109 84.418 2.472 0.990 0.502 0.935 0.620 CB 1.762 109 residues pruned to eliminate duplicates Z: 107 98.841 2.519 1.088 0.540 0.962 0.660 CB 1.824 107 residues pruned to eliminate duplicates Z: 108 95.294 2.520 1.034 0.525 0.963 0.664 CB 1.821 108 residues pruned to eliminate duplicates Z: 110 84.607 2.490 0.979 0.505 0.927 0.615 CB 1.767 110 residues pruned to eliminate duplicates Z: 108 86.027 2.481 1.015 0.512 0.944 0.645 CB 1.741 108 residues pruned to eliminate duplicates Z: 108 94.253 2.511 1.121 0.525 0.944 0.682 CB 1.768 108 residues pruned to eliminate duplicates Z: 107 96.036 2.530 1.094 0.527 0.943 0.689 CB 1.818 107 residues pruned to eliminate duplicates Z: 49 47.708 2.410 1.090 0.388 0.875 0.583 CB 1.759 49 residues pruned to eliminate duplicates Z: 39 48.321 2.430 1.245 0.397 0.895 0.579 CB 1.792 39 residues pruned to eliminate duplicates Z: 107 94.001 2.519 1.102 0.525 0.934 0.660 CB 1.800 107 residues pruned to eliminate duplicates Z: 108 90.434 2.517 1.050 0.512 0.953 0.710 CB 1.755 108 residues pruned to eliminate duplicates Z: 50 52.669 2.439 1.157 0.401 0.939 0.592 CB 1.691 50 residues pruned to eliminate duplicates Z: 49 52.222 2.431 1.115 0.424 0.917 0.625 CB 1.730 49 residues pruned to eliminate duplicates Z: 50 50.534 2.407 1.104 0.404 0.918 0.612 CB 1.717 50 residues pruned to eliminate duplicates Z: 49 52.484 2.439 1.133 0.416 0.917 0.667 CB 1.734 49 residues pruned to eliminate duplicates Z: 221 115.233 2.510 1.085 0.484 0.900 0.573 CB 1.676 221 residues pruned to eliminate duplicates Z: 109 83.146 2.438 1.020 0.499 0.944 0.630 CB 1.722 109 residues pruned to eliminate duplicates Z: 90 78.316 2.449 0.975 0.542 0.921 0.697 CB 1.789 90 residues pruned to eliminate duplicates Z: 48 56.778 2.447 1.213 0.416 0.936 0.617 CB 1.783 48 residues pruned to eliminate duplicates Z: 107 91.812 2.513 1.151 0.513 0.915 0.632 CB 1.780 107 residues pruned to eliminate duplicates Z: 23 27.163 2.247 1.133 0.429 0.818 0.591 CB 1.589 23 residues pruned to eliminate duplicates Z: 106 92.661 2.530 1.094 0.525 0.924 0.695 CB 1.803 106 residues pruned to eliminate duplicates Z: 48 52.992 2.455 1.115 0.394 0.936 0.596 CB 1.780 48 residues pruned to eliminate duplicates Z: 50 50.935 2.408 1.224 0.392 0.898 0.551 CB 1.697 50 residues pruned to eliminate duplicates Z: 112 86.851 2.469 1.073 0.503 0.928 0.658 CB 1.731 112 residues pruned to eliminate duplicates Z: 98 86.451 2.501 1.038 0.536 0.938 0.711 CB 1.771 98 residues pruned to eliminate duplicates Z: 49 46.598 2.422 1.033 0.377 0.917 0.583 CB 1.698 49 residues pruned to eliminate duplicates Z: 109 91.709 2.509 1.063 0.517 0.944 0.676 CB 1.776 109 residues pruned to eliminate duplicates Z: 83 84.977 2.465 1.042 0.587 0.963 0.695 CB 1.780 83 residues pruned to eliminate duplicates Z: 10 20.848 2.483 1.352 0.386 0.778 0.556 CB 1.727 10 residues pruned to eliminate duplicates Z: 74 84.247 2.463 1.044 0.617 0.945 0.781 CB 1.855 74 residues pruned to eliminate duplicates Z: 108 91.332 2.511 1.018 0.526 0.953 0.682 CB 1.782 108 residues pruned to eliminate duplicates Z: 48 51.456 2.455 1.113 0.401 0.936 0.638 CB 1.716 48 residues pruned to eliminate duplicates Z: 86 73.947 2.448 1.013 0.529 0.918 0.671 CB 1.723 86 residues pruned to eliminate duplicates Z: 88 74.251 2.423 1.044 0.538 0.920 0.655 CB 1.684 88 residues pruned to eliminate duplicates Z: 79 74.659 2.482 0.918 0.554 0.949 0.679 CB 1.775 79 residues pruned to eliminate duplicates Z: 108 96.062 2.503 1.164 0.522 0.944 0.664 CB 1.778 108 residues pruned to eliminate duplicates Z: 75 77.078 2.495 0.981 0.572 0.946 0.716 CB 1.788 75 residues pruned to eliminate duplicates Z: 109 92.501 2.510 1.121 0.515 0.935 0.639 CB 1.762 109 residues pruned to eliminate duplicates Z: 51 53.552 2.375 1.030 0.489 0.920 0.620 CB 1.727 51 residues pruned to eliminate duplicates Z: 109 90.453 2.495 1.008 0.527 0.954 0.648 CB 1.774 109 residues pruned to eliminate duplicates Z: 105 80.442 2.457 1.034 0.484 0.894 0.615 CB 1.793 105 residues pruned to eliminate duplicates Z: 81 81.462 2.509 1.028 0.574 0.938 0.675 CB 1.778 81 residues pruned to eliminate duplicates Z: 74 75.422 2.478 0.996 0.561 0.945 0.658 CB 1.780 74 residues pruned to eliminate duplicates Z: 67 86.524 2.582 1.055 0.608 0.985 0.758 CB 1.839 67 residues pruned to eliminate duplicates Z: 108 92.197 2.512 1.068 0.523 0.953 0.729 CB 1.760 108 residues pruned to eliminate duplicates Z: 70 80.293 2.549 1.011 0.587 0.971 0.667 CB 1.786 70 residues pruned to eliminate duplicates Z: 69 80.254 2.563 0.965 0.589 0.985 0.706 CB 1.802 69 residues pruned to eliminate duplicates Z: 109 94.088 2.507 1.086 0.526 0.954 0.630 CB 1.770 109 residues pruned to eliminate duplicates Z: 75 76.784 2.479 1.127 0.557 0.919 0.662 CB 1.743 75 residues pruned to eliminate duplicates Z: 109 91.543 2.510 1.049 0.523 0.944 0.676 CB 1.773 109 residues pruned to eliminate duplicates Z: 108 93.663 2.510 1.145 0.525 0.935 0.682 CB 1.756 108 residues pruned to eliminate duplicates Z: 70 84.907 2.540 1.131 0.582 0.957 0.710 CB 1.825 70 residues pruned to eliminate duplicates Z: 107 91.509 2.520 1.093 0.514 0.934 0.717 CB 1.780 107 residues pruned to eliminate duplicates Z: 145 99.624 2.518 1.019 0.526 0.917 0.625 CB 1.737 145 residues pruned to eliminate duplicates Z: 109 93.826 2.509 1.096 0.510 0.954 0.667 CB 1.782 109 residues pruned to eliminate duplicates Z: 99 89.407 2.495 1.146 0.539 0.918 0.673 CB 1.767 99 residues pruned to eliminate duplicates Z: 83 86.815 2.481 1.117 0.550 0.951 0.683 CB 1.828 83 residues pruned to eliminate duplicates Z: 79 82.276 2.494 1.054 0.576 0.962 0.679 CB 1.757 79 residues pruned to eliminate duplicates Z: 85 73.336 2.440 1.068 0.472 0.917 0.702 CB 1.780 85 residues pruned to eliminate duplicates Z: 109 87.884 2.497 1.075 0.509 0.926 0.620 CB 1.748 109 residues pruned to eliminate duplicates Z: 100 83.853 2.492 1.000 0.507 0.929 0.646 CB 1.807 100 residues pruned to eliminate duplicates Z: 109 92.123 2.490 1.164 0.511 0.926 0.648 CB 1.756 109 residues pruned to eliminate duplicates Z: 82 79.574 2.474 1.088 0.553 0.926 0.691 CB 1.755 82 residues pruned to eliminate duplicates Z: 81 74.877 2.476 0.911 0.558 0.963 0.650 CB 1.737 81 residues pruned to eliminate duplicates Z: 69 82.862 2.557 1.093 0.587 0.941 0.750 CB 1.835 69 residues pruned to eliminate duplicates Z: 107 96.838 2.514 1.111 0.521 0.962 0.679 CB 1.804 107 residues pruned to eliminate duplicates Z: 70 81.403 2.561 1.109 0.588 0.942 0.667 CB 1.770 70 residues pruned to eliminate duplicates Z: 81 84.947 2.497 1.104 0.554 0.950 0.637 CB 1.805 81 residues pruned to eliminate duplicates Z: 104 81.534 2.442 1.055 0.512 0.913 0.583 CB 1.733 104 residues pruned to eliminate duplicates Z: 70 83.016 2.548 1.046 0.584 0.986 0.754 CB 1.794 70 residues pruned to eliminate duplicates Z: 71 79.742 2.540 1.024 0.585 0.957 0.700 CB 1.786 71 residues pruned to eliminate duplicates Z: 109 95.915 2.514 1.143 0.523 0.944 0.713 CB 1.773 109 residues pruned to eliminate duplicates Z: 108 91.497 2.522 1.075 0.513 0.935 0.654 CB 1.784 108 residues pruned to eliminate duplicates Z: 82 79.558 2.498 1.041 0.562 0.926 0.704 CB 1.764 82 residues pruned to eliminate duplicates Z: 109 89.008 2.499 1.074 0.503 0.944 0.667 CB 1.745 109 residues pruned to eliminate duplicates Z: 133 95.456 2.525 1.031 0.526 0.902 0.667 CB 1.751 133 residues pruned to eliminate duplicates Z: 109 92.366 2.506 1.083 0.519 0.944 0.676 CB 1.769 109 residues pruned to eliminate duplicates Z: 110 92.169 2.491 1.113 0.510 0.936 0.633 CB 1.776 110 residues pruned to eliminate duplicates Z: 109 95.511 2.516 1.139 0.516 0.954 0.676 CB 1.761 109 residues pruned to eliminate duplicates Z: 108 85.895 2.496 1.042 0.508 0.916 0.626 CB 1.765 108 residues pruned to eliminate duplicates Z: 109 92.645 2.496 1.147 0.513 0.954 0.657 CB 1.721 109 residues pruned to eliminate duplicates Z: 108 92.991 2.506 1.156 0.510 0.916 0.682 CB 1.798 108 residues pruned to eliminate duplicates Z: 108 91.939 2.514 1.113 0.520 0.935 0.664 CB 1.754 108 residues pruned to eliminate duplicates Z: 73 78.193 2.501 0.979 0.581 0.972 0.736 CB 1.772 73 residues pruned to eliminate duplicates Z: 74 75.862 2.488 1.023 0.565 0.932 0.671 CB 1.777 74 residues pruned to eliminate duplicates Z: 82 83.699 2.495 1.045 0.567 0.963 0.667 CB 1.774 82 residues pruned to eliminate duplicates Z: 84 82.845 2.455 1.064 0.547 0.952 0.639 CB 1.801 84 residues pruned to eliminate duplicates Z: 73 76.109 2.489 1.046 0.590 0.931 0.722 CB 1.736 73 residues pruned to eliminate duplicates Z: 108 95.367 2.512 1.087 0.523 0.953 0.673 CB 1.803 108 residues pruned to eliminate duplicates Z: 107 95.837 2.527 1.113 0.516 0.953 0.745 CB 1.801 107 residues pruned to eliminate duplicates Z: 107 89.077 2.480 1.113 0.507 0.934 0.670 CB 1.756 107 residues pruned to eliminate duplicates Z: 97 93.626 2.585 1.008 0.579 0.938 0.729 CB 1.819 97 residues pruned to eliminate duplicates Z: 136 100.089 2.530 1.035 0.499 0.941 0.674 CB 1.779 136 residues pruned to eliminate duplicates Z: 111 96.327 2.578 1.030 0.557 0.927 0.664 CB 1.790 111 residues pruned to eliminate duplicates Z: 54 64.216 2.604 1.110 0.531 0.906 0.585 CB 1.719 54 residues pruned to eliminate duplicates Z: 89 61.927 2.519 1.075 0.437 0.818 0.602 CB 1.647 89 residues pruned to eliminate duplicates Z: 121 94.416 2.566 1.036 0.537 0.908 0.667 CB 1.752 121 residues pruned to eliminate duplicates Z: 26 51.241 2.757 1.177 0.591 0.920 0.640 CB 1.701 26 residues pruned to eliminate duplicates Z: 53 62.277 2.626 1.063 0.512 0.904 0.538 CB 1.743 53 residues pruned to eliminate duplicates Z: 42 57.128 2.684 1.034 0.560 0.878 0.683 CB 1.755 42 residues pruned to eliminate duplicates Z: 79 67.919 2.589 1.062 0.455 0.885 0.603 CB 1.704 79 residues pruned to eliminate duplicates Z: 81 54.338 2.516 0.873 0.443 0.838 0.562 CB 1.632 81 residues pruned to eliminate duplicates Z: 75 73.084 2.597 1.138 0.481 0.892 0.595 CB 1.748 75 residues pruned to eliminate duplicates Z: 111 78.944 2.553 1.040 0.471 0.909 0.527 CB 1.637 111 residues pruned to eliminate duplicates Z: 51 61.970 2.622 1.072 0.523 0.900 0.600 CB 1.751 51 residues pruned to eliminate duplicates Z: 27 45.754 2.668 1.154 0.544 0.885 0.692 CB 1.690 27 residues pruned to eliminate duplicates Z: 142 96.190 2.472 1.035 0.521 0.908 0.638 CB 1.737 142 residues pruned to eliminate duplicates Z: 26 58.909 2.777 1.338 0.618 0.920 0.680 CB 1.764 26 residues pruned to eliminate duplicates Z: 118 76.151 2.484 1.083 0.474 0.880 0.598 CB 1.587 118 residues pruned to eliminate duplicates Z: 79 67.890 2.586 1.047 0.457 0.897 0.590 CB 1.690 79 residues pruned to eliminate duplicates Z: 79 73.606 2.574 1.105 0.456 0.936 0.603 CB 1.719 79 residues pruned to eliminate duplicates Z: 119 77.194 2.521 1.137 0.452 0.847 0.542 CB 1.635 119 residues pruned to eliminate duplicates Z: 6 7.088 1.918 0.629 0.363 1.000 0.800 CA 1.175 6 residues pruned to eliminate duplicates Z: 33 36.140 2.425 1.110 0.490 0.875 0.562 CB 1.441 33 residues pruned to eliminate duplicates Z: 27 51.660 2.703 1.211 0.589 0.923 0.692 CB 1.685 27 residues pruned to eliminate duplicates Z: 70 55.301 2.454 1.125 0.382 0.884 0.522 CB 1.638 70 residues pruned to eliminate duplicates Z: 32 44.927 2.627 0.883 0.485 0.903 0.677 CB 1.834 32 residues pruned to eliminate duplicates Z: 41 58.581 2.681 1.071 0.553 0.900 0.600 CB 1.760 41 residues pruned to eliminate duplicates Z: 26 34.104 2.564 0.739 0.476 0.880 0.680 CB 1.781 26 residues pruned to eliminate duplicates Z: 53 60.354 2.575 1.099 0.512 0.865 0.558 CB 1.769 53 residues pruned to eliminate duplicates Z: 48 68.198 2.702 1.130 0.559 0.915 0.702 CB 1.785 48 residues pruned to eliminate duplicates Z: 34 36.466 2.517 0.811 0.442 0.848 0.667 CB 1.742 34 residues pruned to eliminate duplicates Z: 52 59.541 2.585 1.119 0.503 0.882 0.647 CB 1.721 52 residues pruned to eliminate duplicates Z: 32 45.077 2.505 0.971 0.495 0.935 0.645 CB 1.761 32 residues pruned to eliminate duplicates Z: 26 38.349 2.613 0.921 0.494 0.840 0.680 CB 1.830 26 residues pruned to eliminate duplicates Z: 220 118.294 2.521 1.116 0.486 0.900 0.603 CB 1.689 220 residues pruned to eliminate duplicates Z: 53 60.430 2.639 1.113 0.507 0.865 0.577 CB 1.726 53 residues pruned to eliminate duplicates Z: 182 111.918 2.533 1.080 0.512 0.917 0.602 CB 1.702 182 residues pruned to eliminate duplicates Z: 33 45.599 2.574 1.067 0.481 0.875 0.656 CB 1.765 33 residues pruned to eliminate duplicates Z: 46 51.331 2.534 0.973 0.491 0.867 0.711 CB 1.782 46 residues pruned to eliminate duplicates Z: 148 100.800 2.526 1.054 0.522 0.905 0.667 CB 1.733 148 residues pruned to eliminate duplicates Z: 52 54.596 2.580 1.008 0.500 0.843 0.569 CB 1.751 52 residues pruned to eliminate duplicates Z: 59 69.986 2.608 1.170 0.518 0.879 0.638 CB 1.814 59 residues pruned to eliminate duplicates Z: 18 42.091 2.670 1.026 0.489 0.941 0.765 CB 2.028 18 residues pruned to eliminate duplicates Z: 79 71.864 2.565 1.151 0.461 0.872 0.564 CB 1.760 79 residues pruned to eliminate duplicates Z: 53 64.105 2.578 1.118 0.541 0.885 0.654 CB 1.768 53 residues pruned to eliminate duplicates Z: 37 34.844 2.531 0.857 0.369 0.861 0.500 CB 1.653 37 residues pruned to eliminate duplicates Z: 79 68.482 2.563 1.111 0.463 0.885 0.577 CB 1.682 79 residues pruned to eliminate duplicates Z: 51 60.810 2.564 1.089 0.536 0.880 0.680 CB 1.762 51 residues pruned to eliminate duplicates Z: 49 67.187 2.638 1.203 0.562 0.896 0.604 CB 1.753 49 residues pruned to eliminate duplicates Z: 97 67.940 2.459 1.047 0.447 0.906 0.542 CB 1.605 97 residues pruned to eliminate duplicates Z: 7 3.713 1.952 0.502 0.263 0.667 0.167 CB 1.016 7 residues pruned to eliminate duplicates Z: 51 42.744 2.472 1.105 0.420 0.860 0.420 CB 1.469 51 residues pruned to eliminate duplicates Z: 64 43.382 2.411 0.950 0.399 0.857 0.492 CB 1.507 64 residues pruned to eliminate duplicates Z: 61 51.418 2.444 1.164 0.433 0.867 0.517 CB 1.552 62 residues pruned to eliminate duplicates Z: 6 5.144 1.737 0.684 0.416 0.800 0.600 CA 1.074 6 residues pruned to eliminate duplicates Z: 51 45.570 2.441 1.173 0.421 0.860 0.560 CB 1.533 51 residues pruned to eliminate duplicates Z: 185 110.731 2.527 1.110 0.483 0.897 0.625 CB 1.736 185 residues pruned to eliminate duplicates Z: 34 16.814 2.213 0.698 0.242 0.758 0.364 CB 1.386 34 residues pruned to eliminate duplicates Z: 100 82.392 2.574 1.156 0.483 0.909 0.566 CB 1.670 100 residues pruned to eliminate duplicates Z: 70 57.784 2.522 1.160 0.397 0.870 0.493 CB 1.637 70 residues pruned to eliminate duplicates Z: 66 49.189 2.405 1.038 0.378 0.892 0.492 CB 1.589 66 residues pruned to eliminate duplicates Z: 31 23.107 2.274 0.933 0.335 0.767 0.433 CB 1.500 31 residues pruned to eliminate duplicates Z: 49 48.099 2.497 1.099 0.442 0.917 0.500 CB 1.535 49 residues pruned to eliminate duplicates Z: 41 22.325 2.242 0.809 0.321 0.725 0.350 CB 1.462 41 residues pruned to eliminate duplicates Z: 37 31.309 2.387 1.173 0.366 0.778 0.417 CB 1.493 37 residues pruned to eliminate duplicates Z: 60 54.140 2.499 1.200 0.421 0.898 0.508 CB 1.551 60 residues pruned to eliminate duplicates Z: 26 27.184 2.443 1.217 0.343 0.800 0.600 CB 1.488 26 residues pruned to eliminate duplicates Z: 53 42.304 2.403 1.122 0.437 0.827 0.500 CB 1.484 53 residues pruned to eliminate duplicates Z: 50 41.995 2.476 1.093 0.428 0.857 0.571 CB 1.456 50 residues pruned to eliminate duplicates Z: 54 43.587 2.407 1.185 0.441 0.849 0.547 CB 1.424 54 residues pruned to eliminate duplicates Z: 17 17.045 2.319 0.945 0.309 0.750 0.438 CB 1.558 17 residues pruned to eliminate duplicates Z: 11 6.770 2.181 0.413 0.192 0.800 0.500 CB 1.255 11 residues pruned to eliminate duplicates Z: 62 45.190 2.425 0.988 0.435 0.885 0.459 CB 1.451 62 residues pruned to eliminate duplicates Z: 85 63.283 2.484 1.100 0.447 0.881 0.571 CB 1.587 85 residues pruned to eliminate duplicates Z: 51 48.278 2.437 1.151 0.428 0.920 0.520 CB 1.526 51 residues pruned to eliminate duplicates Z: 115 80.764 2.526 1.111 0.459 0.912 0.553 CB 1.622 114 residues pruned to eliminate duplicates Z: 6 3.509 1.846 0.692 0.101 0.800 0.400 CB 1.045 6 residues pruned to eliminate duplicates Z: 51 45.349 2.440 1.094 0.432 0.880 0.480 CB 1.530 51 residues pruned to eliminate duplicates Z: 52 42.854 2.434 1.037 0.396 0.882 0.451 CB 1.532 52 residues pruned to eliminate duplicates Z: 64 50.401 2.455 1.100 0.434 0.889 0.508 CB 1.483 64 residues pruned to eliminate duplicates Z: 37 40.924 2.470 1.128 0.470 0.917 0.528 CB 1.459 37 residues pruned to eliminate duplicates Z: 115 77.892 2.511 1.073 0.457 0.904 0.561 CB 1.621 115 residues pruned to eliminate duplicates Z: 37 42.765 2.427 1.180 0.488 0.917 0.611 CB 1.487 37 residues pruned to eliminate duplicates Z: 64 44.041 2.417 1.071 0.406 0.841 0.476 CB 1.455 64 residues pruned to eliminate duplicates Z: 74 43.709 2.287 1.067 0.374 0.836 0.466 CB 1.482 74 residues pruned to eliminate duplicates Z: 24 45.004 2.445 1.414 0.549 0.957 0.522 CB 1.584 24 residues pruned to eliminate duplicates Z: 63 52.802 2.494 1.173 0.398 0.887 0.452 CB 1.554 63 residues pruned to eliminate duplicates Z: 36 42.233 2.435 1.173 0.492 0.914 0.629 CB 1.488 36 residues pruned to eliminate duplicates Z: 50 47.730 2.476 1.233 0.446 0.878 0.571 CB 1.485 50 residues pruned to eliminate duplicates Z: 26 33.677 2.425 0.957 0.546 0.880 0.600 CB 1.541 26 residues pruned to eliminate duplicates Z: 63 50.957 2.461 1.105 0.421 0.887 0.452 CB 1.529 63 residues pruned to eliminate duplicates Z: 62 47.066 2.456 1.072 0.406 0.869 0.459 CB 1.504 62 residues pruned to eliminate duplicates Z: 55 39.146 2.392 1.106 0.361 0.852 0.407 CB 1.442 55 residues pruned to eliminate duplicates Z: 44 37.493 2.248 1.076 0.454 0.884 0.488 CB 1.453 44 residues pruned to eliminate duplicates Z: 63 54.549 2.462 1.210 0.424 0.903 0.500 CB 1.525 63 residues pruned to eliminate duplicates Z: 14 41.085 2.323 1.208 0.731 1.000 0.538 CA 1.805 14 residues pruned to eliminate duplicates Z: 62 52.863 2.479 1.080 0.433 0.918 0.590 CB 1.531 62 residues pruned to eliminate duplicates Z: 52 47.885 2.466 1.174 0.399 0.922 0.549 CB 1.510 54 residues pruned to eliminate duplicates Z: 6 3.279 1.720 0.102 0.453 0.800 0.400 CB 1.014 6 residues pruned to eliminate duplicates Z: 65 44.668 2.439 0.947 0.397 0.859 0.453 CB 1.525 65 residues pruned to eliminate duplicates Z: 142 97.982 2.506 1.090 0.504 0.915 0.638 CB 1.715 142 residues pruned to eliminate duplicates Z: 24 40.854 2.546 1.114 0.553 0.913 0.609 CB 1.646 24 residues pruned to eliminate duplicates Z: 36 42.101 2.457 1.137 0.506 0.886 0.571 CB 1.521 36 residues pruned to eliminate duplicates Z: 52 48.685 2.455 1.114 0.470 0.922 0.510 CB 1.470 52 residues pruned to eliminate duplicates Z: 37 43.824 2.403 1.264 0.514 0.889 0.556 CB 1.489 35 residues pruned to eliminate duplicates Z: 6 5.899 1.595 0.558 0.366 1.000 0.600 CB 1.226 7 residues pruned to eliminate duplicates Z: 6 6.770 1.944 0.870 0.244 0.800 0.400 CA 1.400 6 residues pruned to eliminate duplicates Z: 39 58.719 2.534 1.254 0.410 0.947 0.553 CB 1.935 39 residues pruned to eliminate duplicates Z: 49 56.259 2.529 1.076 0.399 0.917 0.583 CB 1.876 49 residues pruned to eliminate duplicates Z: 7 12.096 2.045 0.652 0.542 0.833 0.667 CA 1.682 7 residues pruned to eliminate duplicates Z: 108 103.015 2.582 1.183 0.514 0.935 0.617 CB 1.865 109 residues pruned to eliminate duplicates Z: 7 8.301 2.000 0.462 0.556 1.000 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 107 99.086 2.580 1.048 0.520 0.943 0.642 CB 1.892 107 residues pruned to eliminate duplicates Z: 44 45.589 2.401 1.105 0.374 0.884 0.651 CB 1.782 44 residues pruned to eliminate duplicates Z: 109 96.315 2.563 1.112 0.508 0.926 0.648 CB 1.834 109 residues pruned to eliminate duplicates Z: 41 51.352 2.478 1.196 0.383 0.900 0.450 CB 1.878 41 residues pruned to eliminate duplicates Z: 48 55.971 2.501 1.186 0.414 0.894 0.511 CB 1.827 48 residues pruned to eliminate duplicates Z: 109 102.543 2.551 1.181 0.513 0.944 0.657 CB 1.853 109 residues pruned to eliminate duplicates Z: 108 102.582 2.566 1.150 0.507 0.953 0.617 CB 1.873 108 residues pruned to eliminate duplicates Z: 8 4.360 1.290 0.478 0.542 1.000 0.429 CB 0.830 8 residues pruned to eliminate duplicates Z: 38 55.118 2.535 1.227 0.411 0.919 0.541 CB 1.917 38 residues pruned to eliminate duplicates Z: 41 51.433 2.474 1.208 0.393 0.875 0.550 CB 1.904 41 residues pruned to eliminate duplicates Z: 108 98.449 2.549 1.112 0.512 0.925 0.654 CB 1.889 108 residues pruned to eliminate duplicates Z: 40 53.445 2.445 1.241 0.411 0.923 0.564 CB 1.857 40 residues pruned to eliminate duplicates Z: 39 56.365 2.539 1.275 0.416 0.921 0.658 CB 1.877 39 residues pruned to eliminate duplicates Z: 108 104.097 2.568 1.149 0.522 0.953 0.664 CB 1.871 108 residues pruned to eliminate duplicates Z: 39 52.426 2.491 1.257 0.399 0.895 0.605 CB 1.879 39 residues pruned to eliminate duplicates Z: 109 106.769 2.549 1.183 0.531 0.954 0.657 CB 1.878 109 residues pruned to eliminate duplicates Z: 109 102.804 2.562 1.185 0.518 0.935 0.676 CB 1.856 109 residues pruned to eliminate duplicates Z: 109 100.529 2.563 1.161 0.521 0.926 0.667 CB 1.848 109 residues pruned to eliminate duplicates Z: 14 19.762 2.093 1.115 0.412 0.846 0.462 CB 1.604 14 residues pruned to eliminate duplicates Z: 40 48.666 2.462 1.245 0.380 0.872 0.538 CB 1.838 40 residues pruned to eliminate duplicates Z: 49 62.630 2.509 1.293 0.408 0.938 0.604 CB 1.846 49 residues pruned to eliminate duplicates Z: 40 56.734 2.491 1.256 0.408 0.949 0.590 CB 1.877 39 residues pruned to eliminate duplicates Z: 7 4.610 1.662 0.567 0.387 0.833 0.667 CB 0.977 7 residues pruned to eliminate duplicates Z: 68 91.363 2.591 1.108 0.609 0.970 0.642 CB 1.900 68 residues pruned to eliminate duplicates Z: 69 86.067 2.587 1.087 0.568 0.971 0.647 CB 1.866 69 residues pruned to eliminate duplicates Z: 60 85.708 2.612 1.054 0.639 0.932 0.712 CB 1.959 60 residues pruned to eliminate duplicates Z: 108 99.989 2.571 1.094 0.528 0.935 0.710 CB 1.869 108 residues pruned to eliminate duplicates Z: 82 92.069 2.522 1.187 0.564 0.963 0.654 CB 1.811 82 residues pruned to eliminate duplicates Z: 106 107.512 2.587 1.175 0.531 0.962 0.657 CB 1.881 107 residues pruned to eliminate duplicates Z: 6 5.030 2.105 0.249 0.460 1.000 0.400 CB 0.891 6 residues pruned to eliminate duplicates Z: 69 88.276 2.615 1.098 0.588 0.956 0.647 CB 1.876 69 residues pruned to eliminate duplicates Z: 109 99.508 2.570 1.116 0.514 0.935 0.667 CB 1.857 109 residues pruned to eliminate duplicates Z: 69 89.855 2.587 1.062 0.591 0.971 0.721 CB 1.929 69 residues pruned to eliminate duplicates Z: 109 103.011 2.567 1.160 0.522 0.944 0.611 CB 1.852 109 residues pruned to eliminate duplicates Z: 108 102.127 2.550 1.141 0.534 0.944 0.692 CB 1.853 108 residues pruned to eliminate duplicates Z: 90 79.145 2.452 1.042 0.519 0.910 0.573 CB 1.807 90 residues pruned to eliminate duplicates Z: 91 96.639 2.536 1.154 0.544 0.956 0.667 CB 1.869 91 residues pruned to eliminate duplicates Z: 99 105.878 2.582 1.182 0.549 0.959 0.745 CB 1.888 99 residues pruned to eliminate duplicates Z: 109 105.705 2.554 1.185 0.523 0.954 0.694 CB 1.869 109 residues pruned to eliminate duplicates Z: 70 89.632 2.586 1.223 0.586 0.957 0.652 CB 1.808 70 residues pruned to eliminate duplicates Z: 69 95.398 2.582 1.167 0.601 0.985 0.662 CB 1.906 69 residues pruned to eliminate duplicates Z: 70 77.322 2.542 0.986 0.584 0.928 0.638 CB 1.833 70 residues pruned to eliminate duplicates Z: 68 94.439 2.618 1.161 0.612 0.970 0.687 CB 1.890 68 residues pruned to eliminate duplicates Z: 70 91.582 2.592 1.201 0.593 0.957 0.667 CB 1.848 70 residues pruned to eliminate duplicates Z: 107 98.412 2.572 1.112 0.528 0.925 0.651 CB 1.853 107 residues pruned to eliminate duplicates Z: 70 88.013 2.560 1.058 0.581 0.986 0.667 CB 1.889 70 residues pruned to eliminate duplicates Z: 108 105.526 2.567 1.209 0.527 0.944 0.673 CB 1.857 108 residues pruned to eliminate duplicates Z: 108 100.478 2.537 1.134 0.521 0.944 0.589 CB 1.862 108 residues pruned to eliminate duplicates Z: 69 84.908 2.586 1.050 0.581 0.971 0.676 CB 1.851 69 residues pruned to eliminate duplicates Z: 70 88.873 2.568 1.094 0.604 0.957 0.681 CB 1.883 70 residues pruned to eliminate duplicates Z: 71 88.512 2.568 1.156 0.564 0.957 0.686 CB 1.876 71 residues pruned to eliminate duplicates Z: 72 86.749 2.559 1.128 0.584 0.972 0.662 CB 1.795 72 residues pruned to eliminate duplicates Z: 107 108.051 2.587 1.208 0.531 0.953 0.651 CB 1.870 108 residues pruned to eliminate duplicates Z: 6 5.387 1.646 0.979 0.286 0.800 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 113 102.416 2.515 1.147 0.525 0.973 0.679 CB 1.796 113 residues pruned to eliminate duplicates Z: 108 102.593 2.554 1.135 0.528 0.953 0.654 CB 1.857 108 residues pruned to eliminate duplicates Z: 109 102.793 2.563 1.193 0.516 0.944 0.620 CB 1.834 109 residues pruned to eliminate duplicates Z: 70 90.002 2.584 1.173 0.599 0.957 0.681 CB 1.836 70 residues pruned to eliminate duplicates Z: 82 86.368 2.535 1.097 0.566 0.938 0.679 CB 1.804 82 residues pruned to eliminate duplicates Z: 73 84.050 2.526 1.117 0.583 0.931 0.667 CB 1.837 73 residues pruned to eliminate duplicates Z: 70 85.598 2.591 1.078 0.598 0.957 0.652 CB 1.822 70 residues pruned to eliminate duplicates Z: 109 103.352 2.574 1.161 0.530 0.944 0.639 CB 1.838 109 residues pruned to eliminate duplicates Z: 107 106.022 2.587 1.139 0.535 0.953 0.632 CB 1.887 107 residues pruned to eliminate duplicates Z: 82 87.798 2.544 1.096 0.563 0.951 0.642 CB 1.809 82 residues pruned to eliminate duplicates Z: 107 108.338 2.587 1.214 0.533 0.953 0.651 CB 1.867 107 residues pruned to eliminate duplicates Z: 24 63.844 2.633 0.899 0.929 1.000 0.913 CA 1.863 24 residues pruned to eliminate duplicates Z: 108 99.113 2.536 1.169 0.524 0.935 0.701 CB 1.820 108 residues pruned to eliminate duplicates Z: 109 102.145 2.556 1.161 0.519 0.944 0.639 CB 1.848 109 residues pruned to eliminate duplicates Z: 108 104.232 2.566 1.171 0.520 0.944 0.710 CB 1.878 108 residues pruned to eliminate duplicates Z: 82 86.804 2.539 1.082 0.581 0.951 0.654 CB 1.776 82 residues pruned to eliminate duplicates Z: 108 103.427 2.567 1.203 0.523 0.944 0.626 CB 1.831 108 residues pruned to eliminate duplicates Z: 107 102.821 2.556 1.143 0.525 0.943 0.670 CB 1.885 107 residues pruned to eliminate duplicates Z: 108 103.205 2.563 1.172 0.510 0.953 0.673 CB 1.861 108 residues pruned to eliminate duplicates Z: 70 90.361 2.595 1.181 0.585 0.971 0.623 CB 1.824 70 residues pruned to eliminate duplicates Z: 70 90.954 2.568 1.219 0.591 0.942 0.667 CB 1.870 70 residues pruned to eliminate duplicates Z: 83 86.561 2.505 1.108 0.566 0.951 0.671 CB 1.786 83 residues pruned to eliminate duplicates Z: 71 84.719 2.534 1.136 0.573 0.957 0.686 CB 1.822 71 residues pruned to eliminate duplicates Z: 71 88.902 2.564 1.082 0.589 0.957 0.729 CB 1.910 71 residues pruned to eliminate duplicates Z: 70 87.880 2.573 1.091 0.585 0.971 0.739 CB 1.866 70 residues pruned to eliminate duplicates Z: 74 81.499 2.501 1.073 0.570 0.945 0.685 CB 1.820 74 residues pruned to eliminate duplicates Z: 87 84.820 2.523 1.036 0.546 0.953 0.640 CB 1.785 87 residues pruned to eliminate duplicates Z: 72 86.114 2.569 1.079 0.557 0.972 0.676 CB 1.863 72 residues pruned to eliminate duplicates Z: 110 100.692 2.521 1.197 0.503 0.936 0.661 CB 1.855 110 residues pruned to eliminate duplicates Z: 106 97.723 2.558 1.072 0.528 0.943 0.600 CB 1.857 106 residues pruned to eliminate duplicates Z: 158 112.229 2.546 1.122 0.514 0.911 0.611 CB 1.795 158 residues pruned to eliminate duplicates Z: 116 99.038 2.572 0.991 0.571 0.930 0.661 CB 1.809 116 residues pruned to eliminate duplicates Z: 118 102.670 2.538 1.114 0.563 0.923 0.709 CB 1.802 118 residues pruned to eliminate duplicates Z: 43 52.491 2.509 0.898 0.556 0.929 0.762 CB 1.734 43 residues pruned to eliminate duplicates Z: 63 51.697 2.475 0.927 0.484 0.839 0.597 CB 1.668 63 residues pruned to eliminate duplicates Z: 79 56.257 2.438 0.964 0.455 0.885 0.538 CB 1.574 79 residues pruned to eliminate duplicates Z: 50 54.355 2.499 1.074 0.519 0.898 0.592 CB 1.637 50 residues pruned to eliminate duplicates Z: 160 107.158 2.509 1.123 0.501 0.912 0.635 CB 1.748 160 residues pruned to eliminate duplicates Z: 118 100.284 2.534 1.098 0.563 0.915 0.624 CB 1.793 118 residues pruned to eliminate duplicates Z: 149 106.856 2.530 1.108 0.519 0.912 0.696 CB 1.771 149 residues pruned to eliminate duplicates Z: 76 58.964 2.429 1.024 0.453 0.907 0.573 CB 1.602 76 residues pruned to eliminate duplicates Z: 76 55.420 2.416 0.986 0.484 0.867 0.653 CB 1.564 76 residues pruned to eliminate duplicates Z: 46 53.641 2.473 0.997 0.570 0.933 0.667 CB 1.621 46 residues pruned to eliminate duplicates Z: 22 49.014 2.621 1.161 0.576 0.952 0.524 CB 1.842 22 residues pruned to eliminate duplicates Z: 73 54.034 2.431 1.022 0.486 0.847 0.597 CB 1.550 73 residues pruned to eliminate duplicates Z: 62 56.403 2.463 1.088 0.479 0.885 0.705 CB 1.620 62 residues pruned to eliminate duplicates Z: 160 114.003 2.528 1.126 0.519 0.937 0.629 CB 1.762 160 residues pruned to eliminate duplicates Z: 51 51.735 2.489 1.023 0.519 0.880 0.660 CB 1.621 51 residues pruned to eliminate duplicates Z: 50 55.148 2.498 1.113 0.541 0.918 0.592 CB 1.561 50 residues pruned to eliminate duplicates Z: 77 60.434 2.423 1.042 0.481 0.882 0.526 CB 1.620 77 residues pruned to eliminate duplicates Z: 62 55.008 2.443 0.991 0.498 0.885 0.590 CB 1.640 62 residues pruned to eliminate duplicates Z: 44 53.653 2.433 1.153 0.529 0.884 0.512 CB 1.718 44 residues pruned to eliminate duplicates Z: 41 54.733 2.518 1.076 0.573 0.950 0.675 CB 1.624 41 residues pruned to eliminate duplicates Z: 49 57.812 2.438 1.125 0.566 0.938 0.646 CB 1.613 49 residues pruned to eliminate duplicates Z: 52 52.846 2.498 0.953 0.553 0.902 0.588 CB 1.598 52 residues pruned to eliminate duplicates Z: 157 111.201 2.531 1.164 0.521 0.910 0.635 CB 1.748 157 residues pruned to eliminate duplicates Z: 30 43.066 2.535 1.020 0.551 0.897 0.586 CB 1.657 30 residues pruned to eliminate duplicates Z: 50 39.168 2.376 0.862 0.469 0.857 0.653 CB 1.523 50 residues pruned to eliminate duplicates Z: 51 53.304 2.521 0.930 0.528 0.900 0.660 CB 1.675 51 residues pruned to eliminate duplicates Z: 70 59.196 2.462 1.059 0.481 0.884 0.565 CB 1.621 70 residues pruned to eliminate duplicates Z: 185 110.653 2.506 1.046 0.487 0.924 0.620 CB 1.744 185 residues pruned to eliminate duplicates Z: 44 50.410 2.505 1.044 0.524 0.907 0.651 CB 1.616 44 residues pruned to eliminate duplicates Z: 26 31.400 2.388 0.880 0.477 0.960 0.680 CB 1.491 26 residues pruned to eliminate duplicates Z: 61 55.382 2.459 1.016 0.523 0.883 0.583 CB 1.596 61 residues pruned to eliminate duplicates Z: 63 47.762 2.429 0.962 0.469 0.887 0.532 CB 1.481 63 residues pruned to eliminate duplicates Z: 43 30.093 2.188 0.976 0.409 0.857 0.500 CB 1.378 43 residues pruned to eliminate duplicates Z: 47 35.159 2.345 0.798 0.433 0.848 0.565 CB 1.555 47 residues pruned to eliminate duplicates Z: 98 46.322 2.290 0.887 0.418 0.835 0.474 CB 1.421 98 residues pruned to eliminate duplicates Z: 46 44.735 2.419 0.999 0.527 0.889 0.689 CB 1.510 46 residues pruned to eliminate duplicates Z: 47 32.147 2.365 0.805 0.433 0.804 0.652 CB 1.480 47 residues pruned to eliminate duplicates Z: 48 50.487 2.486 0.964 0.576 0.894 0.617 CB 1.569 48 residues pruned to eliminate duplicates Z: 49 47.262 2.440 0.970 0.524 0.854 0.667 CB 1.623 49 residues pruned to eliminate duplicates Z: 54 47.528 2.444 0.999 0.510 0.849 0.585 CB 1.558 54 residues pruned to eliminate duplicates Z: 70 61.792 2.463 1.042 0.519 0.899 0.594 CB 1.616 70 residues pruned to eliminate duplicates Z: 47 58.725 2.535 1.004 0.577 0.935 0.630 CB 1.694 47 residues pruned to eliminate duplicates Z: 50 56.178 2.513 1.061 0.532 0.918 0.694 CB 1.635 50 residues pruned to eliminate duplicates Z: 53 40.433 2.336 0.963 0.457 0.827 0.596 CB 1.545 53 residues pruned to eliminate duplicates Z: 51 48.888 2.451 1.030 0.539 0.880 0.660 CB 1.519 51 residues pruned to eliminate duplicates Z: 46 41.127 2.354 0.975 0.463 0.889 0.667 CB 1.541 46 residues pruned to eliminate duplicates Z: 59 39.803 2.310 0.872 0.433 0.879 0.517 CB 1.473 59 residues pruned to eliminate duplicates Z: 133 91.559 2.479 1.005 0.526 0.917 0.561 CB 1.705 133 residues pruned to eliminate duplicates Z: 35 26.694 2.217 0.765 0.393 0.912 0.559 CB 1.438 35 residues pruned to eliminate duplicates Z: 22 21.495 2.272 1.084 0.322 0.810 0.429 CB 1.489 22 residues pruned to eliminate duplicates Z: 62 48.307 2.330 0.999 0.484 0.869 0.525 CB 1.554 62 residues pruned to eliminate duplicates Z: 12 18.286 2.296 1.065 0.353 0.909 0.545 CB 1.499 12 residues pruned to eliminate duplicates Z: 64 41.656 2.259 0.980 0.412 0.921 0.460 CB 1.397 64 residues pruned to eliminate duplicates Z: 37 23.182 2.240 0.870 0.350 0.750 0.444 CB 1.447 37 residues pruned to eliminate duplicates Z: 17 11.868 2.043 0.615 0.253 0.875 0.500 CB 1.365 17 residues pruned to eliminate duplicates Z: 27 25.426 2.356 0.947 0.350 0.846 0.500 CB 1.512 27 residues pruned to eliminate duplicates Z: 32 22.925 2.251 1.012 0.300 0.806 0.419 CB 1.410 32 residues pruned to eliminate duplicates Z: 80 56.758 2.423 1.007 0.471 0.886 0.532 CB 1.525 80 residues pruned to eliminate duplicates Z: 186 112.874 2.497 1.124 0.487 0.919 0.562 CB 1.725 186 residues pruned to eliminate duplicates Z: 67 39.627 2.224 1.001 0.397 0.879 0.485 CB 1.390 67 residues pruned to eliminate duplicates Z: 78 55.325 2.444 0.983 0.460 0.857 0.610 CB 1.580 78 residues pruned to eliminate duplicates Z: 60 35.045 2.172 1.031 0.409 0.864 0.458 CB 1.316 60 residues pruned to eliminate duplicates Z: 66 37.359 2.187 0.979 0.428 0.846 0.415 CB 1.364 66 residues pruned to eliminate duplicates Z: 76 57.530 2.453 1.034 0.492 0.867 0.600 CB 1.549 76 residues pruned to eliminate duplicates Z: 14 15.355 2.091 1.077 0.415 0.846 0.462 CB 1.267 14 residues pruned to eliminate duplicates Z: 147 92.724 2.489 1.034 0.494 0.911 0.637 CB 1.674 147 residues pruned to eliminate duplicates Z: 31 23.820 2.193 0.917 0.330 0.833 0.500 CB 1.496 31 residues pruned to eliminate duplicates Z: 53 35.945 2.242 0.942 0.428 0.904 0.462 CB 1.366 53 residues pruned to eliminate duplicates Z: 27 24.264 2.274 1.167 0.342 0.846 0.538 CB 1.355 27 residues pruned to eliminate duplicates Z: 182 113.402 2.511 1.145 0.494 0.923 0.630 CB 1.705 182 residues pruned to eliminate duplicates Z: 16 16.080 2.186 1.103 0.380 0.733 0.400 CB 1.399 16 residues pruned to eliminate duplicates Z: 11 8.593 2.156 0.570 0.204 0.800 0.200 CB 1.426 11 residues pruned to eliminate duplicates Z: 65 38.978 2.221 1.016 0.411 0.875 0.531 CB 1.365 65 residues pruned to eliminate duplicates Z: 45 29.400 2.176 0.889 0.413 0.886 0.409 CB 1.333 45 residues pruned to eliminate duplicates Z: 42 27.408 2.178 1.027 0.383 0.829 0.463 CB 1.324 42 residues pruned to eliminate duplicates Z: 51 37.334 2.272 1.028 0.447 0.880 0.460 CB 1.375 51 residues pruned to eliminate duplicates Z: 66 35.846 2.225 0.976 0.381 0.846 0.508 CB 1.356 66 residues pruned to eliminate duplicates Z: 63 39.568 2.276 1.007 0.412 0.871 0.468 CB 1.385 63 residues pruned to eliminate duplicates Z: 40 23.592 2.235 0.905 0.313 0.846 0.462 CB 1.291 40 residues pruned to eliminate duplicates Z: 37 33.041 2.228 1.033 0.463 0.889 0.444 CB 1.419 37 residues pruned to eliminate duplicates Z: 38 28.152 2.189 1.144 0.456 0.838 0.486 CB 1.232 38 residues pruned to eliminate duplicates Z: 37 32.645 2.235 1.100 0.467 0.861 0.528 CB 1.392 37 residues pruned to eliminate duplicates Z: 37 32.899 2.215 1.074 0.472 0.889 0.500 CB 1.382 37 residues pruned to eliminate duplicates Z: 39 28.519 2.124 1.001 0.426 0.895 0.474 CB 1.315 39 residues pruned to eliminate duplicates Z: 26 24.802 2.076 1.060 0.493 0.880 0.320 CB 1.327 26 residues pruned to eliminate duplicates Z: 65 41.483 2.247 1.061 0.411 0.891 0.469 CB 1.381 65 residues pruned to eliminate duplicates Z: 53 37.385 2.228 1.106 0.415 0.865 0.442 CB 1.396 53 residues pruned to eliminate duplicates Z: 37 32.938 2.230 1.184 0.474 0.861 0.611 CB 1.344 37 residues pruned to eliminate duplicates Z: 52 33.908 2.237 0.991 0.403 0.843 0.490 CB 1.401 52 residues pruned to eliminate duplicates Z: 37 34.253 2.220 1.098 0.491 0.917 0.556 CB 1.349 37 residues pruned to eliminate duplicates Z: 61 36.885 2.229 0.877 0.430 0.883 0.433 CB 1.385 61 residues pruned to eliminate duplicates Z: 181 97.962 2.426 1.064 0.493 0.911 0.594 CB 1.611 181 residues pruned to eliminate duplicates Z: 52 33.411 2.217 1.054 0.389 0.882 0.471 CB 1.310 52 residues pruned to eliminate duplicates Z: 42 34.091 2.149 1.039 0.455 0.902 0.390 CB 1.411 42 residues pruned to eliminate duplicates Z: 54 37.366 2.249 1.112 0.421 0.868 0.453 CB 1.352 54 residues pruned to eliminate duplicates Z: 38 35.055 2.198 1.178 0.472 0.919 0.405 CB 1.348 38 residues pruned to eliminate duplicates Z: 37 35.164 2.229 1.071 0.495 0.917 0.417 CB 1.393 37 residues pruned to eliminate duplicates Z: 38 30.385 2.170 1.085 0.465 0.838 0.568 CB 1.366 38 residues pruned to eliminate duplicates Z: 64 39.838 2.254 1.024 0.407 0.857 0.508 CB 1.416 64 residues pruned to eliminate duplicates Z: 37 34.724 2.240 1.195 0.488 0.861 0.611 CB 1.383 37 residues pruned to eliminate duplicates Z: 14 18.459 2.277 0.806 0.434 0.846 0.462 CB 1.576 14 residues pruned to eliminate duplicates Z: 38 32.559 2.202 1.048 0.456 0.892 0.541 CB 1.392 38 residues pruned to eliminate duplicates Z: 37 35.300 2.243 1.142 0.489 0.889 0.556 CB 1.393 37 residues pruned to eliminate duplicates Z: 28 30.342 2.184 1.083 0.519 0.889 0.630 CB 1.417 28 residues pruned to eliminate duplicates Z: 37 32.907 2.224 1.092 0.467 0.861 0.444 CB 1.416 37 residues pruned to eliminate duplicates Z: 37 31.831 2.226 1.004 0.476 0.889 0.528 CB 1.370 37 residues pruned to eliminate duplicates Z: 15 14.433 2.136 0.864 0.347 0.857 0.571 CB 1.335 14 residues pruned to eliminate duplicates Z: 6 3.033 1.398 0.462 0.324 0.800 0.400 CA 1.007 7 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 218 B: 219 CC for partial structure against native data = 46.84 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.785, Connect. = 0.779 for dens.mod. cycle 1 = 0.300, Contrast = 0.892, Connect. = 0.805 for dens.mod. cycle 2 = 0.300, Contrast = 1.103, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.134, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.160, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 1.168, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.176, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 1.177, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 1.180, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.180, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2771 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 588 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 67.789 2.640 1.019 0.907 1.000 0.682 CA 1.927 B: 24 58.656 2.629 0.759 0.929 1.000 0.957 CA 1.851 24 residues pruned to eliminate duplicates C: 23 64.290 2.674 0.894 0.912 1.000 0.727 CA 1.917 23 residues pruned to eliminate duplicates D: 24 55.877 2.567 0.722 0.910 1.000 0.957 CA 1.869 E: 62 45.839 2.476 1.007 0.389 0.787 0.590 CB 1.688 F: 23 57.869 2.651 0.744 0.929 1.000 0.909 CA 1.868 23 residues pruned to eliminate duplicates G: 49 70.409 2.664 1.124 0.556 0.917 0.625 CB 1.856 32 residues pruned to eliminate duplicates H: 23 54.359 2.659 0.644 0.914 1.000 0.773 CA 1.875 23 residues pruned to eliminate duplicates I: 23 59.599 2.622 0.828 0.924 1.000 0.909 CA 1.860 24 residues pruned to eliminate duplicates J: 13 37.085 2.381 1.015 0.920 1.000 0.833 CB 1.571 K: 23 50.077 2.641 0.598 0.925 1.000 0.955 CA 1.776 23 residues pruned to eliminate duplicates L: 14 58.494 2.624 1.315 0.919 1.000 0.923 CB 1.882 14 residues pruned to eliminate duplicates M: 22 50.598 2.650 0.498 0.924 1.000 0.810 CA 1.954 22 residues pruned to eliminate duplicates N: 24 69.867 2.580 1.122 0.921 1.000 0.957 CA 1.872 24 residues pruned to eliminate duplicates O: 15 47.013 2.555 1.543 0.786 0.857 0.786 CB 1.754 15 residues pruned to eliminate duplicates P: 15 39.591 2.550 1.000 0.785 0.929 0.786 CB 1.738 15 residues pruned to eliminate duplicates Q: 22 77.150 2.763 1.189 0.922 1.000 0.810 CA 1.957 23 residues pruned to eliminate duplicates R: 22 66.104 2.740 0.867 0.924 1.000 0.810 CA 1.980 22 residues pruned to eliminate duplicates S: 13 39.850 2.526 1.132 0.876 0.917 0.667 CA 1.694 12 residues pruned to eliminate duplicates T: 24 63.889 2.572 1.031 0.910 0.957 0.783 CB 1.891 23 residues pruned to eliminate duplicates U: 23 66.570 2.589 1.042 0.924 1.000 0.955 CA 1.885 23 residues pruned to eliminate duplicates V: 112 81.237 2.554 1.043 0.468 0.910 0.577 CB 1.677 79 residues pruned to eliminate duplicates W: 15 45.202 2.560 1.403 0.770 0.857 0.571 CB 1.804 15 residues pruned to eliminate duplicates X: 23 52.494 2.650 0.769 0.877 0.955 0.773 CA 1.817 23 residues pruned to eliminate duplicates Y: 76 78.054 2.535 0.966 0.554 0.947 0.667 CB 1.813 33 residues pruned to eliminate duplicates Z: 13 42.169 2.511 1.091 0.903 1.000 0.917 CB 1.652 14 residues pruned to eliminate duplicates Z: 23 72.104 2.675 1.117 0.888 1.000 0.727 CB 1.956 24 residues pruned to eliminate duplicates Z: 14 58.367 2.664 1.089 0.929 1.000 0.769 CA 2.035 14 residues pruned to eliminate duplicates Z: 16 38.607 2.370 0.943 0.893 1.000 0.733 CB 1.554 16 residues pruned to eliminate duplicates Z: 23 74.266 2.629 1.154 0.926 1.000 0.864 CA 1.961 22 residues pruned to eliminate duplicates Z: 21 84.816 2.787 1.212 0.931 1.000 0.700 CA 2.150 22 residues pruned to eliminate duplicates Z: 23 69.283 2.681 0.966 0.932 1.000 0.818 CA 1.957 23 residues pruned to eliminate duplicates Z: 24 59.663 2.625 0.840 0.911 1.000 0.783 CA 1.825 24 residues pruned to eliminate duplicates Z: 24 52.428 2.568 0.637 0.903 1.000 0.913 CA 1.854 24 residues pruned to eliminate duplicates Z: 64 51.143 2.440 1.209 0.404 0.873 0.524 CB 1.514 64 residues pruned to eliminate duplicates Z: 22 62.491 2.724 0.761 0.934 1.000 0.810 CA 1.982 21 residues pruned to eliminate duplicates Z: 23 57.645 2.648 0.746 0.926 1.000 0.864 CA 1.864 23 residues pruned to eliminate duplicates Z: 14 31.413 2.191 1.049 0.764 1.000 0.846 CA 1.536 14 residues pruned to eliminate duplicates Z: 23 20.997 2.436 0.961 0.299 0.727 0.500 CB 1.613 23 residues pruned to eliminate duplicates Z: 133 97.741 2.507 1.051 0.532 0.909 0.644 CB 1.763 78 residues pruned to eliminate duplicates Z: 24 69.086 2.516 1.192 0.938 0.957 0.739 CB 1.899 24 residues pruned to eliminate duplicates Z: 14 51.058 2.725 1.261 0.912 0.923 0.769 CB 1.763 14 residues pruned to eliminate duplicates Z: 11 10.469 2.187 0.230 0.760 0.800 0.700 CB 1.221 11 residues pruned to eliminate duplicates Z: 70 84.523 2.567 1.032 0.586 0.942 0.667 CB 1.906 70 residues pruned to eliminate duplicates Z: 14 40.961 2.606 1.103 0.928 0.846 0.538 CB 1.716 14 residues pruned to eliminate duplicates Z: 72 81.186 2.542 1.016 0.579 0.944 0.662 CB 1.846 72 residues pruned to eliminate duplicates Z: 64 57.308 2.539 0.998 0.449 0.857 0.540 CB 1.749 64 residues pruned to eliminate duplicates Z: 24 49.452 2.492 0.698 0.880 0.957 0.739 CB 1.846 24 residues pruned to eliminate duplicates Z: 12 18.869 2.108 0.696 0.826 1.000 0.636 CB 1.201 12 residues pruned to eliminate duplicates Z: 15 50.120 2.597 1.341 0.921 1.000 0.571 CB 1.551 15 residues pruned to eliminate duplicates Z: 27 33.814 2.315 1.016 0.460 0.846 0.615 CB 1.750 22 residues pruned to eliminate duplicates Z: 35 42.424 2.460 1.085 0.389 0.912 0.647 CB 1.749 Z: 109 90.018 2.496 1.082 0.521 0.944 0.648 CB 1.728 60 residues pruned to eliminate duplicates Z: 107 88.260 2.512 0.972 0.526 0.934 0.717 CB 1.806 107 residues pruned to eliminate duplicates Z: 21 61.924 2.713 0.992 0.926 0.950 0.700 CB 1.892 21 residues pruned to eliminate duplicates Z: 18 14.719 2.231 0.969 0.281 0.765 0.471 CB 1.360 18 residues pruned to eliminate duplicates Z: 23 64.049 2.665 0.831 0.921 1.000 0.864 CA 1.969 23 residues pruned to eliminate duplicates Z: 16 16.510 2.267 1.087 0.304 0.800 0.400 CB 1.402 Z: 44 36.329 2.372 0.791 0.452 0.860 0.651 CB 1.591 35 residues pruned to eliminate duplicates Z: 108 84.563 2.513 0.948 0.507 0.935 0.645 CB 1.775 108 residues pruned to eliminate duplicates Z: 23 55.729 2.580 0.925 0.895 0.909 0.773 CB 1.887 23 residues pruned to eliminate duplicates Z: 23 75.965 2.650 1.191 0.933 1.000 0.864 CA 1.946 23 residues pruned to eliminate duplicates Z: 37 39.686 2.444 1.105 0.482 0.889 0.472 CB 1.474 37 residues pruned to eliminate duplicates Z: 38 43.045 2.495 0.911 0.399 0.892 0.595 CB 1.851 17 residues pruned to eliminate duplicates Z: 14 44.171 2.697 1.111 0.856 0.846 0.385 CB 1.875 14 residues pruned to eliminate duplicates Z: 38 56.065 2.524 1.281 0.424 0.919 0.541 CB 1.886 38 residues pruned to eliminate duplicates Z: 40 28.270 2.149 0.864 0.451 0.872 0.436 CB 1.363 16 residues pruned to eliminate duplicates Z: 73 77.932 2.491 1.070 0.578 0.944 0.653 CB 1.750 74 residues pruned to eliminate duplicates Z: 24 58.420 2.576 0.787 0.934 1.000 1.000 CA 1.846 24 residues pruned to eliminate duplicates Z: 109 102.699 2.562 1.163 0.518 0.954 0.630 CB 1.837 108 residues pruned to eliminate duplicates Z: 23 58.344 2.633 0.780 0.930 1.000 0.818 CB 1.857 23 residues pruned to eliminate duplicates Z: 22 57.446 2.636 0.873 0.925 0.952 0.571 CB 1.872 22 residues pruned to eliminate duplicates Z: 11 28.200 2.264 1.254 0.542 0.900 0.600 CB 1.864 11 residues pruned to eliminate duplicates Z: 26 44.602 2.645 1.040 0.586 0.840 0.600 CB 1.812 26 residues pruned to eliminate duplicates Z: 22 62.876 2.667 0.916 0.931 1.000 0.714 CB 1.877 22 residues pruned to eliminate duplicates Z: 13 30.649 2.251 1.051 0.775 0.917 0.583 CA 1.640 13 residues pruned to eliminate duplicates Z: 71 88.799 2.579 1.109 0.584 0.957 0.729 CB 1.881 71 residues pruned to eliminate duplicates Z: 7 17.035 2.179 0.981 0.713 0.833 0.667 CA 1.593 7 residues pruned to eliminate duplicates Z: 108 91.741 2.529 1.090 0.517 0.935 0.617 CB 1.765 108 residues pruned to eliminate duplicates Z: 54 59.696 2.611 1.016 0.511 0.887 0.660 CB 1.737 54 residues pruned to eliminate duplicates Z: 145 97.821 2.549 1.071 0.507 0.896 0.632 CB 1.711 144 residues pruned to eliminate duplicates Z: 69 90.814 2.593 1.121 0.607 0.956 0.765 CB 1.892 69 residues pruned to eliminate duplicates Z: 51 44.988 2.423 1.044 0.448 0.900 0.520 CB 1.506 51 residues pruned to eliminate duplicates Z: 10 17.224 2.407 0.163 0.869 1.000 0.889 CB 1.498 10 residues pruned to eliminate duplicates Z: 31 38.087 2.454 1.059 0.501 0.900 0.467 CB 1.527 31 residues pruned to eliminate duplicates Z: 108 102.491 2.556 1.173 0.522 0.944 0.589 CB 1.849 108 residues pruned to eliminate duplicates Z: 22 26.896 2.313 0.910 0.418 0.857 0.619 CB 1.689 22 residues pruned to eliminate duplicates Z: 40 48.509 2.489 1.079 0.408 0.897 0.513 CB 1.842 40 residues pruned to eliminate duplicates Z: 14 27.390 2.156 1.035 0.759 0.923 0.538 CA 1.490 14 residues pruned to eliminate duplicates Z: 35 29.538 2.282 0.820 0.476 0.794 0.676 CB 1.573 35 residues pruned to eliminate duplicates Z: 109 94.657 2.507 1.109 0.519 0.944 0.713 CB 1.790 108 residues pruned to eliminate duplicates Z: 18 53.929 2.678 0.800 0.896 1.000 0.882 CB 1.943 18 residues pruned to eliminate duplicates Z: 38 55.107 2.537 1.205 0.422 0.919 0.568 CB 1.911 38 residues pruned to eliminate duplicates Z: 24 64.482 2.619 0.987 0.926 1.000 0.783 CA 1.812 24 residues pruned to eliminate duplicates Z: 11 29.280 2.206 0.977 0.815 1.000 0.700 CB 1.614 14 residues pruned to eliminate duplicates Z: 109 96.371 2.545 1.097 0.512 0.935 0.639 CB 1.836 109 residues pruned to eliminate duplicates Z: 29 40.068 2.615 0.898 0.541 0.821 0.607 CB 1.785 29 residues pruned to eliminate duplicates Z: 73 71.907 2.505 1.016 0.546 0.917 0.681 CB 1.750 73 residues pruned to eliminate duplicates Z: 83 76.522 2.485 1.039 0.564 0.927 0.646 CB 1.691 83 residues pruned to eliminate duplicates Z: 109 93.350 2.494 1.077 0.525 0.954 0.657 CB 1.774 109 residues pruned to eliminate duplicates Z: 81 76.509 2.506 1.023 0.556 0.925 0.650 CB 1.728 81 residues pruned to eliminate duplicates Z: 109 99.331 2.563 1.154 0.515 0.944 0.676 CB 1.806 109 residues pruned to eliminate duplicates Z: 107 88.320 2.518 1.066 0.517 0.925 0.651 CB 1.754 107 residues pruned to eliminate duplicates Z: 69 85.389 2.585 0.993 0.604 0.971 0.676 CB 1.876 69 residues pruned to eliminate duplicates Z: 23 64.552 2.627 0.998 0.892 1.000 0.773 CA 1.884 23 residues pruned to eliminate duplicates Z: 15 35.502 2.504 1.120 0.748 0.857 0.571 CB 1.671 15 residues pruned to eliminate duplicates Z: 83 83.600 2.477 1.023 0.561 0.951 0.683 CB 1.826 83 residues pruned to eliminate duplicates Z: 15 28.480 2.346 0.802 0.813 0.857 0.714 CB 1.600 15 residues pruned to eliminate duplicates Z: 108 101.574 2.564 1.139 0.517 0.953 0.626 CB 1.846 108 residues pruned to eliminate duplicates Z: 108 90.319 2.518 1.008 0.523 0.944 0.692 CB 1.789 108 residues pruned to eliminate duplicates Z: 50 60.536 2.606 1.121 0.550 0.857 0.694 CB 1.737 50 residues pruned to eliminate duplicates Z: 101 61.239 2.326 0.853 0.470 0.930 0.590 CB 1.576 101 residues pruned to eliminate duplicates Z: 70 83.803 2.543 1.032 0.603 0.942 0.609 CB 1.879 70 residues pruned to eliminate duplicates Z: 106 90.310 2.524 1.054 0.515 0.952 0.667 CB 1.758 106 residues pruned to eliminate duplicates Z: 69 74.902 2.532 0.923 0.575 0.971 0.618 CB 1.788 69 residues pruned to eliminate duplicates Z: 23 39.496 2.569 1.120 0.546 0.864 0.500 CB 1.712 23 residues pruned to eliminate duplicates Z: 11 21.963 2.030 0.800 0.869 1.000 0.600 CA 1.388 11 residues pruned to eliminate duplicates Z: 17 39.325 2.542 0.451 0.952 1.000 1.000 CA 1.835 17 residues pruned to eliminate duplicates Z: 109 99.219 2.562 1.106 0.514 0.954 0.657 CB 1.829 109 residues pruned to eliminate duplicates Z: 13 42.742 2.495 1.066 0.921 1.000 1.000 CA 1.684 13 residues pruned to eliminate duplicates Z: 19 23.789 2.285 0.924 0.468 0.889 0.500 CB 1.481 19 residues pruned to eliminate duplicates Z: 109 96.761 2.566 1.109 0.515 0.926 0.685 CB 1.830 109 residues pruned to eliminate duplicates Z: 11 25.189 2.249 0.922 0.787 0.900 0.800 CB 1.590 11 residues pruned to eliminate duplicates Z: 14 9.945 2.148 0.444 0.307 0.769 0.615 CB 1.432 11 residues pruned to eliminate duplicates Z: 69 83.330 2.611 1.017 0.587 0.956 0.647 CB 1.846 69 residues pruned to eliminate duplicates Z: 13 40.583 2.667 0.932 0.890 1.000 0.500 CB 1.637 13 residues pruned to eliminate duplicates Z: 107 82.372 2.488 0.940 0.504 0.915 0.623 CB 1.805 108 residues pruned to eliminate duplicates Z: 24 60.638 2.554 0.899 0.923 1.000 0.870 CA 1.832 24 residues pruned to eliminate duplicates Z: 13 30.821 2.234 0.958 0.853 1.000 0.667 CB 1.504 13 residues pruned to eliminate duplicates Z: 12 23.194 2.045 0.941 0.835 0.909 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 15 35.528 2.484 0.893 0.886 1.000 0.643 CB 1.456 15 residues pruned to eliminate duplicates Z: 13 26.089 2.303 0.852 0.828 0.917 0.500 CB 1.451 13 residues pruned to eliminate duplicates Z: 12 23.557 2.075 0.896 0.739 0.909 0.636 CB 1.604 12 residues pruned to eliminate duplicates Z: 24 67.766 2.582 1.054 0.925 1.000 0.739 CA 1.870 24 residues pruned to eliminate duplicates Z: 69 74.889 2.551 0.981 0.578 0.941 0.706 CB 1.770 69 residues pruned to eliminate duplicates Z: 24 58.781 2.535 0.888 0.920 1.000 0.783 CA 1.803 24 residues pruned to eliminate duplicates Z: 185 112.446 2.542 1.066 0.500 0.913 0.598 CB 1.728 184 residues pruned to eliminate duplicates Z: 108 84.792 2.501 0.947 0.496 0.944 0.636 CB 1.790 108 residues pruned to eliminate duplicates Z: 70 77.620 2.561 0.982 0.588 0.928 0.739 CB 1.824 70 residues pruned to eliminate duplicates Z: 23 60.081 2.635 0.762 0.912 1.000 0.818 CA 1.955 23 residues pruned to eliminate duplicates Z: 27 24.353 2.286 0.908 0.351 0.885 0.500 CB 1.455 29 residues pruned to eliminate duplicates Z: 83 83.751 2.491 1.113 0.567 0.951 0.646 CB 1.731 83 residues pruned to eliminate duplicates Z: 71 82.108 2.526 1.052 0.595 0.957 0.686 CB 1.805 71 residues pruned to eliminate duplicates Z: 8 18.114 2.232 0.576 0.815 1.000 0.571 CB 1.480 8 residues pruned to eliminate duplicates Z: 13 33.846 2.314 0.961 0.828 1.000 0.833 CA 1.621 13 residues pruned to eliminate duplicates Z: 38 55.789 2.521 1.156 0.442 0.946 0.595 CB 1.894 38 residues pruned to eliminate duplicates Z: 107 91.670 2.512 1.032 0.530 0.943 0.670 CB 1.796 108 residues pruned to eliminate duplicates Z: 105 76.129 2.537 1.080 0.471 0.865 0.577 CB 1.683 105 residues pruned to eliminate duplicates Z: 70 84.741 2.564 1.054 0.589 0.928 0.754 CB 1.919 70 residues pruned to eliminate duplicates Z: 108 88.287 2.504 1.010 0.513 0.925 0.701 CB 1.809 108 residues pruned to eliminate duplicates Z: 6 9.959 2.106 0.412 0.769 1.000 0.600 CA 1.181 6 residues pruned to eliminate duplicates Z: 71 82.438 2.571 1.045 0.583 0.929 0.700 CB 1.863 71 residues pruned to eliminate duplicates Z: 70 80.275 2.538 0.968 0.565 0.942 0.609 CB 1.928 70 residues pruned to eliminate duplicates Z: 24 70.769 2.614 1.048 0.929 1.000 0.696 CA 1.930 24 residues pruned to eliminate duplicates Z: 187 110.166 2.515 1.091 0.487 0.914 0.634 CB 1.702 186 residues pruned to eliminate duplicates Z: 36 27.894 2.257 0.976 0.346 0.886 0.486 CB 1.411 36 residues pruned to eliminate duplicates Z: 105 100.887 2.557 1.131 0.534 0.942 0.644 CB 1.864 105 residues pruned to eliminate duplicates Z: 107 93.058 2.531 1.079 0.528 0.934 0.670 CB 1.789 107 residues pruned to eliminate duplicates Z: 96 96.273 2.579 1.059 0.582 0.968 0.695 CB 1.775 96 residues pruned to eliminate duplicates Z: 76 51.051 2.367 1.053 0.474 0.827 0.560 CB 1.507 76 residues pruned to eliminate duplicates Z: 24 42.607 2.622 0.959 0.629 0.870 0.565 CB 1.762 24 residues pruned to eliminate duplicates Z: 18 40.916 2.554 0.649 0.878 0.941 0.824 CA 1.817 18 residues pruned to eliminate duplicates Z: 7 4.097 1.699 0.558 0.244 0.667 0.500 CA 1.273 7 residues pruned to eliminate duplicates Z: 11 24.798 2.192 0.792 0.843 0.900 0.900 CB 1.651 11 residues pruned to eliminate duplicates Z: 39 52.468 2.500 1.169 0.414 0.921 0.500 CB 1.865 39 residues pruned to eliminate duplicates Z: 14 19.560 2.199 0.839 0.726 0.692 0.538 CA 1.581 14 residues pruned to eliminate duplicates Z: 62 50.673 2.504 1.080 0.421 0.869 0.541 CB 1.556 62 residues pruned to eliminate duplicates Z: 90 84.202 2.520 1.126 0.525 0.921 0.674 CB 1.765 90 residues pruned to eliminate duplicates Z: 39 52.195 2.467 1.172 0.422 0.921 0.553 CB 1.862 39 residues pruned to eliminate duplicates Z: 113 63.681 2.355 0.994 0.455 0.902 0.554 CB 1.488 98 residues pruned to eliminate duplicates Z: 24 49.699 2.607 0.571 0.916 1.000 0.783 CA 1.787 24 residues pruned to eliminate duplicates Z: 51 38.262 2.274 1.012 0.458 0.880 0.580 CB 1.403 52 residues pruned to eliminate duplicates Z: 10 22.597 2.128 0.741 0.899 1.000 0.778 CB 1.453 10 residues pruned to eliminate duplicates Z: 11 23.436 2.146 0.733 0.831 0.900 0.900 CB 1.664 11 residues pruned to eliminate duplicates Z: 21 68.237 2.730 1.027 0.927 1.000 0.800 CB 1.932 21 residues pruned to eliminate duplicates Z: 12 18.242 2.207 1.039 0.408 0.818 0.636 CB 1.646 12 residues pruned to eliminate duplicates Z: 171 111.066 2.511 1.068 0.514 0.929 0.624 CB 1.741 173 residues pruned to eliminate duplicates Z: 15 38.846 2.429 1.175 0.900 0.929 0.643 CB 1.512 15 residues pruned to eliminate duplicates Z: 40 50.476 2.471 1.080 0.384 0.949 0.487 CB 1.876 40 residues pruned to eliminate duplicates Z: 69 82.706 2.574 1.026 0.598 0.941 0.706 CB 1.860 69 residues pruned to eliminate duplicates Z: 38 46.947 2.502 1.112 0.403 0.865 0.541 CB 1.869 38 residues pruned to eliminate duplicates Z: 40 47.851 2.486 1.077 0.407 0.897 0.641 CB 1.824 40 residues pruned to eliminate duplicates Z: 11 29.499 2.208 0.923 0.826 1.000 0.800 CB 1.656 11 residues pruned to eliminate duplicates Z: 102 102.369 2.536 1.174 0.521 0.950 0.604 CB 1.903 102 residues pruned to eliminate duplicates Z: 20 16.783 2.189 0.959 0.296 0.842 0.579 CB 1.340 20 residues pruned to eliminate duplicates Z: 133 93.619 2.563 1.024 0.526 0.902 0.614 CB 1.698 133 residues pruned to eliminate duplicates Z: 12 25.056 2.105 1.129 0.796 0.909 0.636 CA 1.431 12 residues pruned to eliminate duplicates Z: 43 48.776 2.499 0.992 0.548 0.881 0.643 CB 1.638 43 residues pruned to eliminate duplicates Z: 15 27.316 2.323 1.252 0.559 0.857 0.643 CB 1.537 15 residues pruned to eliminate duplicates Z: 39 51.616 2.512 1.235 0.408 0.895 0.605 CB 1.836 39 residues pruned to eliminate duplicates Z: 77 68.799 2.588 1.140 0.471 0.868 0.592 CB 1.690 77 residues pruned to eliminate duplicates Z: 28 31.188 2.402 1.091 0.344 0.889 0.630 CB 1.593 28 residues pruned to eliminate duplicates Z: 48 50.425 2.412 1.106 0.396 0.915 0.617 CB 1.766 48 residues pruned to eliminate duplicates Z: 10 11.874 2.142 0.780 0.459 0.667 0.556 CB 1.623 10 residues pruned to eliminate duplicates Z: 46 45.432 2.355 0.988 0.406 0.933 0.600 CB 1.711 46 residues pruned to eliminate duplicates Z: 12 23.391 2.062 0.852 0.736 1.000 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 45 38.281 2.273 0.923 0.433 0.886 0.523 CB 1.598 45 residues pruned to eliminate duplicates Z: 108 83.715 2.491 0.965 0.509 0.944 0.673 CB 1.736 108 residues pruned to eliminate duplicates Z: 10 30.796 2.224 1.099 0.876 1.000 0.889 CA 1.598 10 residues pruned to eliminate duplicates Z: 33 32.000 2.235 0.871 0.469 0.875 0.594 CB 1.595 33 residues pruned to eliminate duplicates Z: 17 31.229 2.188 0.754 0.920 0.938 0.812 CA 1.528 17 residues pruned to eliminate duplicates Z: 18 20.386 2.229 1.356 0.285 0.824 0.471 CB 1.456 18 residues pruned to eliminate duplicates Z: 62 53.536 2.486 1.220 0.429 0.869 0.541 CB 1.540 62 residues pruned to eliminate duplicates Z: 11 29.383 2.186 0.982 0.819 1.000 0.600 CB 1.625 11 residues pruned to eliminate duplicates Z: 16 41.227 2.413 1.207 0.822 0.933 0.667 CB 1.620 16 residues pruned to eliminate duplicates Z: 71 82.070 2.569 1.009 0.585 0.943 0.700 CB 1.858 71 residues pruned to eliminate duplicates Z: 23 70.865 2.683 1.133 0.914 0.955 0.545 CA 1.956 23 residues pruned to eliminate duplicates Z: 109 101.915 2.557 1.148 0.521 0.944 0.639 CB 1.851 109 residues pruned to eliminate duplicates Z: 113 78.318 2.545 1.106 0.467 0.875 0.545 CB 1.632 113 residues pruned to eliminate duplicates Z: 7 6.638 1.887 0.337 0.747 0.833 0.333 CB 1.034 7 residues pruned to eliminate duplicates Z: 109 92.000 2.486 1.140 0.518 0.935 0.602 CB 1.749 109 residues pruned to eliminate duplicates Z: 70 83.640 2.569 1.062 0.588 0.942 0.667 CB 1.854 70 residues pruned to eliminate duplicates Z: 41 67.135 2.532 1.135 0.544 1.000 0.725 CB 1.880 41 residues pruned to eliminate duplicates Z: 39 47.129 2.413 1.206 0.423 0.921 0.632 CB 1.690 39 residues pruned to eliminate duplicates Z: 37 61.773 2.661 1.201 0.618 0.889 0.639 CB 1.768 37 residues pruned to eliminate duplicates Z: 17 16.924 2.226 0.803 0.365 0.750 0.562 CB 1.625 17 residues pruned to eliminate duplicates Z: 82 65.735 2.541 1.086 0.447 0.877 0.556 CB 1.661 82 residues pruned to eliminate duplicates Z: 70 88.346 2.593 1.090 0.579 0.957 0.638 CB 1.902 70 residues pruned to eliminate duplicates Z: 23 34.677 2.415 1.094 0.362 0.955 0.636 CB 1.777 22 residues pruned to eliminate duplicates Z: 14 30.445 2.575 0.681 0.877 0.923 0.462 CB 1.535 14 residues pruned to eliminate duplicates Z: 12 18.152 2.041 0.572 0.798 0.818 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 54 45.491 2.513 0.964 0.382 0.868 0.566 CB 1.653 54 residues pruned to eliminate duplicates Z: 66 93.189 2.601 1.083 0.624 0.969 0.738 CB 1.959 66 residues pruned to eliminate duplicates Z: 51 33.322 2.252 0.983 0.439 0.820 0.440 CB 1.371 51 residues pruned to eliminate duplicates Z: 8 5.128 1.902 0.726 0.541 0.857 0.714 CB 0.662 8 residues pruned to eliminate duplicates Z: 44 44.647 2.409 0.927 0.538 0.884 0.651 CB 1.599 44 residues pruned to eliminate duplicates Z: 13 18.228 2.244 0.998 0.377 0.917 0.500 CB 1.460 13 residues pruned to eliminate duplicates Z: 7 6.629 1.838 0.227 0.746 1.000 0.667 CA 0.963 7 residues pruned to eliminate duplicates Z: 11 9.475 1.803 0.316 0.655 0.900 0.700 CB 1.215 11 residues pruned to eliminate duplicates Z: 40 47.433 2.456 1.138 0.394 0.897 0.564 CB 1.803 40 residues pruned to eliminate duplicates Z: 46 19.234 2.075 0.538 0.378 0.844 0.356 CB 1.212 46 residues pruned to eliminate duplicates Z: 25 30.194 2.176 0.960 0.457 0.917 0.500 CB 1.647 25 residues pruned to eliminate duplicates Z: 15 36.415 2.542 1.454 0.443 0.929 0.643 CB 1.782 15 residues pruned to eliminate duplicates Z: 15 40.258 2.482 0.984 0.835 1.000 0.714 CA 1.637 15 residues pruned to eliminate duplicates Z: 52 43.821 2.431 1.162 0.405 0.843 0.471 CB 1.531 52 residues pruned to eliminate duplicates Z: 64 57.763 2.508 1.005 0.492 0.857 0.540 CB 1.702 64 residues pruned to eliminate duplicates Z: 8 6.876 2.563 0.271 0.332 0.714 0.714 CB 1.342 8 residues pruned to eliminate duplicates Z: 53 58.460 2.618 1.025 0.517 0.865 0.692 CB 1.738 53 residues pruned to eliminate duplicates Z: 22 62.417 2.728 0.787 0.922 1.000 0.952 CA 1.966 22 residues pruned to eliminate duplicates Z: 23 49.541 2.640 1.162 0.615 0.955 0.545 CB 1.739 23 residues pruned to eliminate duplicates Z: 40 44.158 2.372 0.861 0.518 0.974 0.641 CB 1.615 40 residues pruned to eliminate duplicates Z: 16 19.730 2.142 0.827 0.362 0.933 0.533 CB 1.618 16 residues pruned to eliminate duplicates Z: 7 4.129 1.628 0.631 0.392 0.667 0.333 CB 1.068 Z: 26 18.329 2.189 0.748 0.346 0.760 0.520 CB 1.490 26 residues pruned to eliminate duplicates Z: 13 22.717 1.934 0.725 0.821 1.000 0.667 CB 1.489 13 residues pruned to eliminate duplicates Z: 37 34.810 2.336 1.006 0.486 0.861 0.472 CB 1.459 37 residues pruned to eliminate duplicates Z: 7 10.364 2.066 0.086 0.850 1.000 0.667 CB 1.397 7 residues pruned to eliminate duplicates Z: 128 91.886 2.462 0.966 0.535 0.906 0.677 CB 1.798 128 residues pruned to eliminate duplicates Z: 11 11.887 2.198 0.992 0.340 0.700 0.600 CA 1.460 11 residues pruned to eliminate duplicates Z: 23 17.135 2.388 1.024 0.273 0.682 0.455 CB 1.434 23 residues pruned to eliminate duplicates Z: 36 40.838 2.402 1.245 0.481 0.857 0.543 CB 1.523 36 residues pruned to eliminate duplicates Z: 29 31.629 2.261 0.776 0.529 0.964 0.571 CB 1.500 29 residues pruned to eliminate duplicates Z: 39 23.188 2.171 0.673 0.360 0.816 0.500 CB 1.477 39 residues pruned to eliminate duplicates Z: 107 90.855 2.515 1.009 0.532 0.962 0.604 CB 1.758 107 residues pruned to eliminate duplicates Z: 21 43.062 2.591 1.149 0.627 0.900 0.700 CB 1.706 21 residues pruned to eliminate duplicates Z: 43 82.621 2.654 1.218 0.667 0.952 0.714 CB 1.948 43 residues pruned to eliminate duplicates Z: 21 21.920 2.283 0.697 0.420 0.900 0.600 CB 1.528 21 residues pruned to eliminate duplicates Z: 102 92.465 2.489 1.024 0.554 0.960 0.683 CB 1.805 102 residues pruned to eliminate duplicates Z: 42 70.225 2.663 1.092 0.656 0.951 0.805 CB 1.790 42 residues pruned to eliminate duplicates Z: 14 32.874 2.528 0.965 0.811 0.846 0.692 CB 1.654 14 residues pruned to eliminate duplicates Z: 9 17.656 1.940 0.691 0.798 1.000 0.750 CA 1.466 9 residues pruned to eliminate duplicates Z: 12 17.359 2.375 0.885 0.472 0.727 0.455 CB 1.653 12 residues pruned to eliminate duplicates Z: 16 10.793 1.957 0.403 0.278 0.867 0.467 CB 1.506 16 residues pruned to eliminate duplicates Z: 10 9.616 1.756 0.208 0.786 0.889 0.667 CA 1.322 10 residues pruned to eliminate duplicates Z: 52 46.806 2.465 1.131 0.428 0.863 0.529 CB 1.558 52 residues pruned to eliminate duplicates Z: 32 39.793 2.357 1.045 0.407 0.903 0.581 CB 1.809 32 residues pruned to eliminate duplicates Z: 10 26.174 2.396 1.093 0.827 0.889 0.778 CB 1.475 10 residues pruned to eliminate duplicates Z: 64 38.163 2.238 1.020 0.407 0.873 0.476 CB 1.343 64 residues pruned to eliminate duplicates Z: 40 33.832 2.293 0.749 0.366 0.923 0.564 CB 1.690 40 residues pruned to eliminate duplicates Z: 14 16.877 2.277 0.923 0.310 0.846 0.385 CB 1.561 14 residues pruned to eliminate duplicates Z: 7 7.569 1.883 0.140 0.549 0.833 0.500 N 1.647 7 residues pruned to eliminate duplicates Z: 101 87.748 2.489 0.985 0.549 0.940 0.710 CB 1.800 101 residues pruned to eliminate duplicates Z: 70 72.485 2.533 0.912 0.567 0.928 0.739 CB 1.820 70 residues pruned to eliminate duplicates Z: 10 21.409 2.244 0.822 0.824 0.889 0.556 CB 1.483 10 residues pruned to eliminate duplicates Z: 45 42.644 2.421 0.960 0.456 0.932 0.500 CB 1.521 54 residues pruned to eliminate duplicates Z: 8 12.787 2.173 1.522 0.521 0.714 0.571 CB 1.210 8 residues pruned to eliminate duplicates Z: 11 18.109 1.823 0.610 0.794 1.000 0.500 CA 1.509 11 residues pruned to eliminate duplicates Z: 19 24.322 2.337 0.953 0.359 0.889 0.389 CB 1.646 19 residues pruned to eliminate duplicates Z: 24 61.293 2.546 0.861 0.930 1.000 0.826 CA 1.886 24 residues pruned to eliminate duplicates Z: 30 37.794 2.335 0.859 0.469 0.966 0.690 CB 1.728 30 residues pruned to eliminate duplicates Z: 109 103.604 2.568 1.194 0.517 0.954 0.694 CB 1.824 109 residues pruned to eliminate duplicates Z: 12 11.922 1.929 0.748 0.474 0.818 0.636 CB 1.337 12 residues pruned to eliminate duplicates Z: 20 19.109 2.259 0.753 0.386 0.789 0.421 CB 1.583 20 residues pruned to eliminate duplicates Z: 12 24.941 2.079 0.889 0.804 0.909 0.636 CB 1.615 12 residues pruned to eliminate duplicates Z: 21 27.837 2.277 1.001 0.425 0.950 0.650 CB 1.554 21 residues pruned to eliminate duplicates Z: 13 13.331 2.083 0.618 0.378 0.833 0.500 CB 1.561 13 residues pruned to eliminate duplicates Z: 22 27.022 2.428 1.070 0.374 0.857 0.429 CB 1.567 22 residues pruned to eliminate duplicates Z: 16 21.064 2.239 1.020 0.481 0.867 0.533 CB 1.414 16 residues pruned to eliminate duplicates Z: 156 106.008 2.512 1.065 0.517 0.916 0.574 CB 1.763 156 residues pruned to eliminate duplicates Z: 9 14.278 1.918 0.599 0.800 1.000 0.625 CA 1.266 9 residues pruned to eliminate duplicates Z: 20 47.010 2.652 1.378 0.663 0.895 0.632 CB 1.643 20 residues pruned to eliminate duplicates Z: 37 42.216 2.437 1.100 0.533 0.917 0.556 CB 1.452 35 residues pruned to eliminate duplicates Z: 60 94.161 2.627 1.131 0.639 0.983 0.797 CB 1.956 60 residues pruned to eliminate duplicates Z: 16 24.991 2.361 1.108 0.421 0.933 0.667 CB 1.508 16 residues pruned to eliminate duplicates Z: 23 24.554 2.297 0.964 0.374 0.909 0.591 CB 1.461 23 residues pruned to eliminate duplicates Z: 109 95.418 2.539 1.043 0.510 0.935 0.639 CB 1.874 109 residues pruned to eliminate duplicates Z: 49 57.815 2.575 1.030 0.559 0.833 0.562 CB 1.810 49 residues pruned to eliminate duplicates Z: 70 72.332 2.511 1.002 0.582 0.928 0.681 CB 1.725 70 residues pruned to eliminate duplicates Z: 70 59.518 2.425 1.016 0.427 0.928 0.522 CB 1.703 70 residues pruned to eliminate duplicates Z: 26 39.152 2.372 1.146 0.562 0.960 0.680 CB 1.508 26 residues pruned to eliminate duplicates Z: 105 92.856 2.505 1.110 0.531 0.942 0.654 CB 1.773 105 residues pruned to eliminate duplicates Z: 15 15.836 2.112 0.857 0.467 0.786 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 9 7.172 1.719 0.122 0.745 0.875 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 24 48.786 2.453 0.778 0.907 0.913 0.522 CA 1.815 24 residues pruned to eliminate duplicates Z: 108 97.057 2.550 1.126 0.507 0.935 0.617 CB 1.840 108 residues pruned to eliminate duplicates Z: 6 4.774 1.392 1.155 0.430 0.800 0.600 CA 0.957 Z: 29 33.916 2.178 0.970 0.511 0.893 0.571 CB 1.654 29 residues pruned to eliminate duplicates Z: 103 100.101 2.558 1.087 0.533 0.951 0.637 CB 1.890 103 residues pruned to eliminate duplicates Z: 38 35.903 2.241 1.138 0.497 0.865 0.595 CB 1.430 38 residues pruned to eliminate duplicates Z: 17 16.261 2.121 0.493 0.399 0.938 0.562 CB 1.523 11 residues pruned to eliminate duplicates Z: 8 16.069 1.946 0.470 0.848 1.000 0.571 CA 1.574 8 residues pruned to eliminate duplicates Z: 51 45.638 2.344 0.912 0.542 0.880 0.600 CB 1.571 51 residues pruned to eliminate duplicates Z: 33 22.359 2.357 0.828 0.320 0.812 0.469 CB 1.378 33 residues pruned to eliminate duplicates Z: 14 37.056 2.438 1.564 0.524 0.923 0.615 CB 1.740 21 residues pruned to eliminate duplicates Z: 17 13.063 2.200 0.802 0.374 0.812 0.625 CB 1.160 17 residues pruned to eliminate duplicates Z: 27 34.391 2.519 0.843 0.406 0.962 0.654 CB 1.666 29 residues pruned to eliminate duplicates Z: 70 44.308 2.342 1.001 0.371 0.870 0.449 CB 1.504 70 residues pruned to eliminate duplicates Z: 90 80.022 2.495 1.017 0.493 0.933 0.629 CB 1.820 90 residues pruned to eliminate duplicates Z: 6 3.473 1.526 -0.048 0.786 1.000 1.000 CA 0.832 Z: 108 100.697 2.560 1.086 0.536 0.935 0.636 CB 1.883 108 residues pruned to eliminate duplicates Z: 34 39.301 2.397 1.000 0.502 0.909 0.545 CB 1.566 34 residues pruned to eliminate duplicates Z: 12 17.074 2.312 0.787 0.434 0.909 0.636 CB 1.467 12 residues pruned to eliminate duplicates Z: 99 90.757 2.487 1.126 0.549 0.929 0.663 CB 1.780 99 residues pruned to eliminate duplicates Z: 71 84.649 2.564 1.091 0.581 0.957 0.686 CB 1.823 71 residues pruned to eliminate duplicates Z: 6 7.837 2.181 0.232 0.696 1.000 0.400 CB 1.090 6 residues pruned to eliminate duplicates Z: 11 28.419 2.145 0.994 0.822 1.000 0.500 CB 1.589 11 residues pruned to eliminate duplicates Z: 14 7.865 1.800 0.646 0.407 0.692 0.462 CB 1.173 14 residues pruned to eliminate duplicates Z: 7 2.781 1.684 0.174 0.319 0.667 0.333 N 1.052 Z: 11 18.391 2.096 0.744 0.799 1.000 0.700 CB 1.225 11 residues pruned to eliminate duplicates Z: 106 90.685 2.519 1.073 0.520 0.914 0.638 CB 1.817 106 residues pruned to eliminate duplicates Z: 7 6.255 1.925 0.329 0.366 0.833 0.667 CB 1.383 7 residues pruned to eliminate duplicates Z: 40 48.905 2.422 0.981 0.497 0.949 0.692 CB 1.727 40 residues pruned to eliminate duplicates Z: 72 77.225 2.541 1.037 0.580 0.930 0.662 CB 1.763 72 residues pruned to eliminate duplicates Z: 7 8.858 1.959 0.325 0.724 0.833 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 54 33.417 2.179 0.950 0.410 0.887 0.509 CB 1.338 54 residues pruned to eliminate duplicates Z: 8 7.670 1.958 0.232 0.778 0.857 0.714 CB 1.097 8 residues pruned to eliminate duplicates Z: 15 17.094 2.177 0.957 0.315 0.929 0.357 CB 1.417 15 residues pruned to eliminate duplicates Z: 78 78.528 2.425 1.050 0.571 0.935 0.675 CB 1.798 78 residues pruned to eliminate duplicates Z: 9 7.268 1.737 0.174 0.728 0.875 0.625 CB 1.172 9 residues pruned to eliminate duplicates Z: 6 4.201 1.935 -0.387 0.633 1.000 0.600 CB 1.398 Z: 18 15.975 2.278 0.866 0.386 0.765 0.471 CB 1.345 18 residues pruned to eliminate duplicates Z: 11 34.892 2.407 1.079 0.843 0.900 0.600 CA 1.824 11 residues pruned to eliminate duplicates Z: 8 18.720 2.060 0.575 0.811 1.000 0.571 CA 1.664 8 residues pruned to eliminate duplicates Z: 22 22.336 2.285 0.811 0.389 0.857 0.476 CB 1.546 22 residues pruned to eliminate duplicates Z: 19 18.033 2.270 0.529 0.346 0.889 0.444 CB 1.629 19 residues pruned to eliminate duplicates Z: 11 20.899 2.119 0.594 0.815 1.000 1.000 CB 1.487 11 residues pruned to eliminate duplicates Z: 35 40.981 2.415 1.095 0.545 0.912 0.588 CB 1.458 35 residues pruned to eliminate duplicates Z: 12 31.629 2.309 1.007 0.732 1.000 0.636 CA 1.670 12 residues pruned to eliminate duplicates Z: 7 5.239 1.584 0.310 0.543 0.833 0.333 CB 1.185 Z: 107 93.575 2.512 1.079 0.527 0.934 0.642 CB 1.816 107 residues pruned to eliminate duplicates Z: 48 57.885 2.567 1.077 0.489 0.915 0.596 CB 1.750 48 residues pruned to eliminate duplicates Z: 6 2.775 1.690 0.397 0.434 0.800 0.600 CB 0.703 Z: 20 27.165 2.334 1.047 0.425 0.895 0.684 CB 1.577 20 residues pruned to eliminate duplicates Z: 175 95.349 2.392 0.956 0.518 0.914 0.609 CB 1.661 175 residues pruned to eliminate duplicates Z: 37 28.318 2.388 1.033 0.339 0.778 0.472 CB 1.490 37 residues pruned to eliminate duplicates Z: 15 26.257 2.371 0.717 0.454 1.000 0.643 CB 1.808 15 residues pruned to eliminate duplicates Z: 27 41.138 2.610 1.122 0.376 0.885 0.692 CB 1.880 27 residues pruned to eliminate duplicates Z: 9 10.942 2.219 0.823 0.441 0.875 0.750 CB 1.162 9 residues pruned to eliminate duplicates Z: 23 29.533 2.361 1.038 0.389 0.909 0.545 CB 1.619 23 residues pruned to eliminate duplicates Z: 49 45.954 2.316 0.880 0.499 0.938 0.688 CB 1.626 49 residues pruned to eliminate duplicates Z: 37 30.153 2.195 0.901 0.484 0.889 0.444 CB 1.376 37 residues pruned to eliminate duplicates Z: 83 88.037 2.468 1.127 0.583 0.939 0.634 CB 1.821 83 residues pruned to eliminate duplicates Z: 11 17.935 2.174 1.159 0.510 0.900 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 18 21.053 2.134 0.667 0.558 0.941 0.647 CB 1.441 18 residues pruned to eliminate duplicates Z: 70 79.521 2.577 0.994 0.583 0.957 0.681 CB 1.798 70 residues pruned to eliminate duplicates Z: 11 4.586 1.698 0.534 0.353 0.600 0.300 CB 1.088 Z: 11 24.616 2.245 1.011 0.852 1.000 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 107 93.397 2.522 1.080 0.516 0.953 0.670 CB 1.786 113 residues pruned to eliminate duplicates Z: 45 49.130 2.588 1.018 0.527 0.841 0.659 CB 1.642 45 residues pruned to eliminate duplicates Z: 22 31.296 2.400 1.025 0.432 0.905 0.619 CB 1.666 22 residues pruned to eliminate duplicates Z: 52 51.815 2.446 1.064 0.386 0.941 0.569 CB 1.724 52 residues pruned to eliminate duplicates Z: 15 25.042 2.276 0.958 0.458 0.929 0.571 CA 1.688 15 residues pruned to eliminate duplicates Z: 12 9.363 2.008 0.440 0.275 0.818 0.455 CB 1.540 12 residues pruned to eliminate duplicates Z: 77 74.985 2.507 1.124 0.473 0.934 0.645 CB 1.777 77 residues pruned to eliminate duplicates Z: 41 66.132 2.597 0.933 0.673 0.975 0.800 CB 1.822 41 residues pruned to eliminate duplicates Z: 38 26.931 2.118 0.773 0.469 0.892 0.568 CB 1.364 38 residues pruned to eliminate duplicates Z: 12 7.856 1.854 0.677 0.298 0.727 0.364 N 1.312 12 residues pruned to eliminate duplicates Z: 32 47.581 2.505 1.298 0.568 0.839 0.548 CB 1.658 32 residues pruned to eliminate duplicates Z: 74 52.203 2.436 1.047 0.414 0.849 0.521 CB 1.579 74 residues pruned to eliminate duplicates Z: 9 3.826 1.530 0.416 0.512 0.875 0.500 CB 0.704 Z: 68 89.007 2.549 1.083 0.606 0.970 0.731 CB 1.908 68 residues pruned to eliminate duplicates Z: 36 40.114 2.344 1.073 0.375 0.943 0.486 CB 1.691 36 residues pruned to eliminate duplicates Z: 70 78.207 2.540 1.010 0.574 0.957 0.696 CB 1.795 70 residues pruned to eliminate duplicates Z: 83 57.655 2.509 1.073 0.427 0.817 0.512 CB 1.616 83 residues pruned to eliminate duplicates Z: 109 81.169 2.585 1.099 0.481 0.889 0.611 CB 1.651 111 residues pruned to eliminate duplicates Z: 48 54.292 2.422 0.934 0.534 0.936 0.766 CB 1.747 48 residues pruned to eliminate duplicates Z: 12 18.840 1.922 0.801 0.860 1.000 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 21 18.195 2.236 0.630 0.435 0.900 0.650 CB 1.326 21 residues pruned to eliminate duplicates Z: 89 66.046 2.333 1.010 0.508 0.932 0.693 CB 1.599 89 residues pruned to eliminate duplicates Z: 62 84.872 2.556 1.050 0.625 0.984 0.689 CB 1.874 62 residues pruned to eliminate duplicates Z: 129 98.899 2.524 1.080 0.533 0.914 0.602 CB 1.764 129 residues pruned to eliminate duplicates Z: 14 19.827 2.178 1.010 0.463 0.923 0.615 CB 1.413 14 residues pruned to eliminate duplicates Z: 117 99.744 2.529 1.117 0.586 0.922 0.698 CB 1.727 117 residues pruned to eliminate duplicates Z: 49 49.533 2.393 1.238 0.367 0.917 0.583 CB 1.681 49 residues pruned to eliminate duplicates Z: 59 68.168 2.459 0.943 0.600 0.948 0.707 CB 1.797 59 residues pruned to eliminate duplicates Z: 28 29.947 2.218 0.863 0.430 0.889 0.519 CB 1.687 28 residues pruned to eliminate duplicates Z: 48 47.621 2.404 1.199 0.375 0.894 0.617 CB 1.681 48 residues pruned to eliminate duplicates Z: 16 26.467 2.287 0.949 0.426 0.933 0.533 CB 1.773 16 residues pruned to eliminate duplicates Z: 30 28.360 2.214 1.097 0.502 0.862 0.483 CB 1.313 30 residues pruned to eliminate duplicates Z: 70 87.464 2.560 1.098 0.599 0.957 0.725 CB 1.865 70 residues pruned to eliminate duplicates Z: 61 51.944 2.515 1.121 0.408 0.883 0.517 CB 1.567 61 residues pruned to eliminate duplicates Z: 10 26.606 2.292 1.083 0.799 1.000 0.778 CA 1.430 10 residues pruned to eliminate duplicates Z: 25 26.588 2.304 1.015 0.367 0.875 0.625 CB 1.540 25 residues pruned to eliminate duplicates Z: 10 2.932 1.656 0.257 0.392 0.667 0.667 CB 0.789 Z: 17 30.843 2.396 0.983 0.537 0.812 0.562 CB 1.926 17 residues pruned to eliminate duplicates Z: 10 19.626 2.305 0.931 0.514 0.889 0.778 CB 1.631 10 residues pruned to eliminate duplicates Z: 25 29.922 2.197 0.942 0.559 0.917 0.833 CB 1.475 25 residues pruned to eliminate duplicates Z: 10 20.066 2.204 0.889 0.889 0.889 0.778 CB 1.301 10 residues pruned to eliminate duplicates Z: 14 20.604 2.313 0.860 0.432 0.923 0.692 CB 1.544 14 residues pruned to eliminate duplicates Z: 49 71.745 2.490 1.048 0.633 0.979 0.625 CB 1.830 49 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 109 90.427 2.503 1.007 0.506 0.944 0.657 CB 1.824 109 residues pruned to eliminate duplicates Z: 26 27.079 2.300 0.961 0.303 0.880 0.560 CB 1.700 26 residues pruned to eliminate duplicates Z: 50 47.799 2.387 1.106 0.388 0.878 0.592 CB 1.742 50 residues pruned to eliminate duplicates Z: 108 87.774 2.516 1.049 0.511 0.916 0.654 CB 1.777 108 residues pruned to eliminate duplicates Z: 108 83.319 2.483 0.998 0.498 0.916 0.654 CB 1.777 108 residues pruned to eliminate duplicates Z: 49 50.252 2.422 1.136 0.407 0.917 0.583 CB 1.687 48 residues pruned to eliminate duplicates Z: 6 3.858 1.698 0.619 0.342 1.000 0.600 CB 0.746 6 residues pruned to eliminate duplicates Z: 38 48.250 2.459 1.180 0.420 0.919 0.676 CB 1.750 38 residues pruned to eliminate duplicates Z: 108 80.523 2.484 0.917 0.499 0.925 0.673 CB 1.769 108 residues pruned to eliminate duplicates Z: 37 53.584 2.501 1.140 0.429 0.972 0.639 CB 1.848 38 residues pruned to eliminate duplicates Z: 6 10.107 2.170 0.600 0.475 1.000 0.600 CB 1.335 6 residues pruned to eliminate duplicates Z: 109 87.838 2.483 0.986 0.519 0.954 0.694 CB 1.764 109 residues pruned to eliminate duplicates Z: 49 50.688 2.422 1.143 0.403 0.917 0.625 CB 1.704 49 residues pruned to eliminate duplicates Z: 41 44.703 2.404 1.087 0.380 0.925 0.575 CB 1.729 41 residues pruned to eliminate duplicates Z: 50 50.365 2.397 1.122 0.391 0.898 0.633 CB 1.769 50 residues pruned to eliminate duplicates Z: 24 21.973 2.337 0.770 0.297 0.783 0.435 CA 1.777 24 residues pruned to eliminate duplicates Z: 107 80.675 2.481 1.064 0.466 0.906 0.642 CB 1.749 107 residues pruned to eliminate duplicates Z: 26 24.790 2.342 0.808 0.282 0.880 0.480 CB 1.703 26 residues pruned to eliminate duplicates Z: 108 84.892 2.485 0.955 0.509 0.944 0.720 CB 1.774 108 residues pruned to eliminate duplicates Z: 108 80.260 2.466 0.984 0.474 0.916 0.607 CB 1.779 108 residues pruned to eliminate duplicates Z: 39 43.710 2.420 1.094 0.387 0.895 0.500 CB 1.763 39 residues pruned to eliminate duplicates Z: 49 52.048 2.450 1.077 0.424 0.938 0.583 CB 1.705 49 residues pruned to eliminate duplicates Z: 49 52.325 2.419 1.177 0.396 0.917 0.625 CB 1.746 49 residues pruned to eliminate duplicates Z: 48 52.601 2.429 1.125 0.419 0.936 0.681 CB 1.728 48 residues pruned to eliminate duplicates Z: 49 47.641 2.429 1.011 0.398 0.917 0.542 CB 1.709 49 residues pruned to eliminate duplicates Z: 47 55.945 2.464 1.154 0.421 0.957 0.587 CB 1.764 47 residues pruned to eliminate duplicates Z: 6 8.691 1.906 1.364 0.310 0.800 0.400 CB 1.331 6 residues pruned to eliminate duplicates Z: 82 85.351 2.489 1.102 0.557 0.963 0.617 CB 1.780 82 residues pruned to eliminate duplicates Z: 110 75.164 2.439 0.943 0.459 0.908 0.578 CB 1.745 110 residues pruned to eliminate duplicates Z: 108 91.291 2.501 1.053 0.546 0.935 0.729 CB 1.758 108 residues pruned to eliminate duplicates Z: 108 87.353 2.487 1.013 0.505 0.953 0.636 CB 1.760 108 residues pruned to eliminate duplicates Z: 49 47.901 2.405 1.120 0.404 0.896 0.604 CB 1.674 49 residues pruned to eliminate duplicates Z: 108 94.963 2.519 1.068 0.535 0.953 0.682 CB 1.787 108 residues pruned to eliminate duplicates Z: 38 49.134 2.445 1.220 0.405 0.919 0.595 CB 1.788 38 residues pruned to eliminate duplicates Z: 108 87.701 2.490 1.014 0.514 0.944 0.636 CB 1.768 108 residues pruned to eliminate duplicates Z: 105 89.520 2.512 1.042 0.501 0.962 0.731 CB 1.778 105 residues pruned to eliminate duplicates Z: 109 83.552 2.464 0.960 0.500 0.972 0.694 CB 1.711 109 residues pruned to eliminate duplicates Z: 48 52.262 2.439 1.171 0.433 0.894 0.638 CB 1.726 48 residues pruned to eliminate duplicates Z: 24 35.222 2.225 1.154 0.452 0.913 0.522 CA 1.763 24 residues pruned to eliminate duplicates Z: 50 53.484 2.430 1.209 0.402 0.918 0.571 CB 1.718 50 residues pruned to eliminate duplicates Z: 50 51.843 2.389 1.187 0.409 0.918 0.653 CB 1.697 50 residues pruned to eliminate duplicates Z: 106 85.592 2.488 1.046 0.502 0.914 0.705 CB 1.791 106 residues pruned to eliminate duplicates Z: 74 72.989 2.485 0.986 0.547 0.945 0.726 CB 1.749 74 residues pruned to eliminate duplicates Z: 106 86.727 2.511 0.986 0.513 0.952 0.724 CB 1.758 106 residues pruned to eliminate duplicates Z: 90 87.927 2.537 1.051 0.549 0.944 0.697 CB 1.810 90 residues pruned to eliminate duplicates Z: 108 92.726 2.509 1.071 0.516 0.944 0.664 CB 1.799 108 residues pruned to eliminate duplicates Z: 70 76.000 2.559 0.956 0.568 0.942 0.681 CB 1.818 70 residues pruned to eliminate duplicates Z: 108 90.280 2.502 1.051 0.521 0.935 0.682 CB 1.783 108 residues pruned to eliminate duplicates Z: 78 82.246 2.519 0.999 0.577 0.961 0.662 CB 1.798 78 residues pruned to eliminate duplicates Z: 69 69.144 2.534 0.897 0.545 0.926 0.603 CB 1.802 69 residues pruned to eliminate duplicates Z: 108 91.725 2.515 1.035 0.525 0.963 0.692 CB 1.755 108 residues pruned to eliminate duplicates Z: 109 95.692 2.508 1.131 0.525 0.954 0.667 CB 1.762 109 residues pruned to eliminate duplicates Z: 69 81.439 2.566 1.050 0.605 0.941 0.721 CB 1.805 69 residues pruned to eliminate duplicates Z: 70 78.031 2.544 0.958 0.582 0.942 0.696 CB 1.852 70 residues pruned to eliminate duplicates Z: 108 92.702 2.495 1.065 0.519 0.953 0.682 CB 1.791 108 residues pruned to eliminate duplicates Z: 85 77.701 2.438 0.972 0.533 0.964 0.690 CB 1.770 85 residues pruned to eliminate duplicates Z: 106 94.087 2.515 1.139 0.523 0.952 0.705 CB 1.753 106 residues pruned to eliminate duplicates Z: 80 74.119 2.506 0.963 0.539 0.911 0.658 CB 1.790 80 residues pruned to eliminate duplicates Z: 79 65.620 2.468 0.941 0.485 0.897 0.641 CB 1.754 79 residues pruned to eliminate duplicates Z: 110 91.204 2.480 1.084 0.515 0.945 0.697 CB 1.761 110 residues pruned to eliminate duplicates Z: 71 75.851 2.519 0.981 0.586 0.914 0.686 CB 1.830 71 residues pruned to eliminate duplicates Z: 91 86.945 2.519 1.043 0.543 0.944 0.611 CB 1.808 91 residues pruned to eliminate duplicates Z: 108 91.705 2.500 1.070 0.499 0.963 0.664 CB 1.783 108 residues pruned to eliminate duplicates Z: 108 92.390 2.516 1.041 0.511 0.963 0.645 CB 1.787 108 residues pruned to eliminate duplicates Z: 73 68.229 2.489 0.870 0.544 0.931 0.639 CB 1.779 73 residues pruned to eliminate duplicates Z: 70 78.668 2.553 1.050 0.578 0.942 0.667 CB 1.781 70 residues pruned to eliminate duplicates Z: 70 83.425 2.535 1.114 0.590 0.957 0.696 CB 1.797 70 residues pruned to eliminate duplicates Z: 82 81.535 2.492 1.078 0.558 0.951 0.691 CB 1.739 82 residues pruned to eliminate duplicates Z: 60 52.831 2.315 1.128 0.445 0.915 0.576 CB 1.615 60 residues pruned to eliminate duplicates Z: 106 92.210 2.528 1.112 0.516 0.943 0.695 CB 1.759 106 residues pruned to eliminate duplicates Z: 82 85.761 2.511 1.060 0.556 0.975 0.704 CB 1.789 82 residues pruned to eliminate duplicates Z: 83 74.798 2.475 0.991 0.549 0.915 0.659 CB 1.747 83 residues pruned to eliminate duplicates Z: 99 96.188 2.508 1.136 0.538 0.959 0.663 CB 1.822 99 residues pruned to eliminate duplicates Z: 108 91.340 2.518 1.056 0.517 0.953 0.673 CB 1.760 108 residues pruned to eliminate duplicates Z: 109 88.247 2.505 1.060 0.514 0.935 0.639 CB 1.735 109 residues pruned to eliminate duplicates Z: 108 90.855 2.502 1.039 0.508 0.944 0.701 CB 1.810 108 residues pruned to eliminate duplicates Z: 70 82.654 2.557 1.095 0.590 0.957 0.696 CB 1.781 70 residues pruned to eliminate duplicates Z: 70 80.337 2.529 1.037 0.576 0.957 0.652 CB 1.825 70 residues pruned to eliminate duplicates Z: 67 80.723 2.579 1.038 0.589 0.939 0.682 CB 1.847 67 residues pruned to eliminate duplicates Z: 108 93.146 2.525 1.091 0.524 0.944 0.626 CB 1.764 108 residues pruned to eliminate duplicates Z: 109 91.293 2.493 1.106 0.504 0.944 0.648 CB 1.764 109 residues pruned to eliminate duplicates Z: 110 90.721 2.481 1.142 0.502 0.927 0.670 CB 1.762 110 residues pruned to eliminate duplicates Z: 108 87.261 2.512 1.017 0.521 0.944 0.645 CB 1.728 108 residues pruned to eliminate duplicates Z: 92 77.556 2.499 1.001 0.500 0.923 0.648 CB 1.762 92 residues pruned to eliminate duplicates Z: 69 79.279 2.576 1.024 0.582 0.941 0.691 CB 1.811 69 residues pruned to eliminate duplicates Z: 108 92.001 2.509 1.018 0.514 0.963 0.645 CB 1.799 108 residues pruned to eliminate duplicates Z: 109 89.536 2.497 1.087 0.506 0.935 0.611 CB 1.759 109 residues pruned to eliminate duplicates Z: 70 84.221 2.550 1.097 0.578 0.957 0.696 CB 1.838 70 residues pruned to eliminate duplicates Z: 77 85.593 2.450 1.157 0.569 0.961 0.684 CB 1.810 77 residues pruned to eliminate duplicates Z: 71 75.823 2.496 0.989 0.552 0.957 0.700 CB 1.812 71 residues pruned to eliminate duplicates Z: 107 92.368 2.519 1.114 0.514 0.943 0.613 CB 1.760 107 residues pruned to eliminate duplicates Z: 109 93.788 2.496 1.166 0.515 0.926 0.685 CB 1.777 109 residues pruned to eliminate duplicates Z: 107 99.850 2.531 1.195 0.528 0.962 0.698 CB 1.765 107 residues pruned to eliminate duplicates Z: 25 61.154 2.562 1.051 0.832 1.000 0.708 CB 1.784 25 residues pruned to eliminate duplicates Z: 67 84.119 2.566 1.140 0.589 0.955 0.697 CB 1.813 67 residues pruned to eliminate duplicates Z: 81 88.084 2.496 1.147 0.558 0.975 0.663 CB 1.782 81 residues pruned to eliminate duplicates Z: 69 81.258 2.560 1.085 0.590 0.941 0.750 CB 1.799 69 residues pruned to eliminate duplicates Z: 82 83.999 2.482 1.153 0.560 0.963 0.716 CB 1.711 82 residues pruned to eliminate duplicates Z: 105 86.812 2.508 1.009 0.504 0.952 0.615 CB 1.767 105 residues pruned to eliminate duplicates Z: 69 85.286 2.563 1.084 0.589 0.971 0.691 CB 1.832 69 residues pruned to eliminate duplicates Z: 59 75.674 2.527 1.072 0.612 0.948 0.672 CB 1.798 59 residues pruned to eliminate duplicates Z: 149 109.762 2.553 1.038 0.522 0.939 0.655 CB 1.807 149 residues pruned to eliminate duplicates Z: 73 85.121 2.571 1.010 0.558 0.986 0.708 CB 1.861 73 residues pruned to eliminate duplicates Z: 87 78.105 2.469 1.074 0.523 0.919 0.616 CB 1.750 87 residues pruned to eliminate duplicates Z: 95 94.883 2.593 1.058 0.564 0.936 0.638 CB 1.841 95 residues pruned to eliminate duplicates Z: 133 101.111 2.558 1.087 0.506 0.917 0.644 CB 1.787 133 residues pruned to eliminate duplicates Z: 135 102.670 2.548 1.094 0.516 0.925 0.604 CB 1.767 135 residues pruned to eliminate duplicates Z: 80 64.613 2.566 1.021 0.448 0.873 0.608 CB 1.694 80 residues pruned to eliminate duplicates Z: 51 62.671 2.635 1.136 0.515 0.900 0.520 CB 1.723 51 residues pruned to eliminate duplicates Z: 52 58.428 2.603 1.086 0.529 0.863 0.686 CB 1.697 52 residues pruned to eliminate duplicates Z: 43 54.632 2.561 1.064 0.535 0.857 0.690 CB 1.798 43 residues pruned to eliminate duplicates Z: 30 49.951 2.699 0.982 0.566 0.897 0.759 CB 1.814 30 residues pruned to eliminate duplicates Z: 80 61.973 2.559 1.098 0.428 0.835 0.570 CB 1.676 80 residues pruned to eliminate duplicates Z: 195 117.393 2.530 1.132 0.503 0.923 0.608 CB 1.689 193 residues pruned to eliminate duplicates Z: 14 56.735 2.782 1.359 0.903 1.000 0.462 CB 1.709 14 residues pruned to eliminate duplicates Z: 26 59.548 2.776 1.309 0.629 0.920 0.720 CB 1.789 26 residues pruned to eliminate duplicates Z: 89 55.844 2.464 0.951 0.418 0.830 0.557 CB 1.625 89 residues pruned to eliminate duplicates Z: 52 62.598 2.607 1.117 0.536 0.882 0.667 CB 1.737 52 residues pruned to eliminate duplicates Z: 112 78.130 2.553 1.080 0.458 0.883 0.559 CB 1.651 112 residues pruned to eliminate duplicates Z: 51 64.872 2.639 1.171 0.542 0.880 0.660 CB 1.746 51 residues pruned to eliminate duplicates Z: 113 76.638 2.523 1.071 0.466 0.875 0.598 CB 1.640 113 residues pruned to eliminate duplicates Z: 80 68.056 2.567 1.124 0.462 0.886 0.582 CB 1.648 80 residues pruned to eliminate duplicates Z: 159 106.954 2.519 1.109 0.513 0.905 0.639 CB 1.746 159 residues pruned to eliminate duplicates Z: 80 59.437 2.536 0.900 0.444 0.886 0.595 CB 1.659 80 residues pruned to eliminate duplicates Z: 11 17.387 2.614 0.531 0.432 0.900 0.600 CB 1.638 11 residues pruned to eliminate duplicates Z: 52 52.069 2.484 0.988 0.400 0.941 0.627 CB 1.744 52 residues pruned to eliminate duplicates Z: 36 38.807 2.499 0.942 0.474 0.857 0.657 CB 1.619 36 residues pruned to eliminate duplicates Z: 48 63.611 2.656 1.167 0.552 0.872 0.617 CB 1.756 48 residues pruned to eliminate duplicates Z: 42 50.321 2.603 0.828 0.558 0.902 0.488 CB 1.730 42 residues pruned to eliminate duplicates Z: 43 59.118 2.647 1.071 0.568 0.857 0.619 CB 1.817 43 residues pruned to eliminate duplicates Z: 36 37.146 2.435 0.887 0.460 0.886 0.543 CB 1.607 36 residues pruned to eliminate duplicates Z: 51 64.187 2.601 1.077 0.530 0.920 0.620 CB 1.773 51 residues pruned to eliminate duplicates Z: 50 66.690 2.678 1.126 0.535 0.898 0.612 CB 1.799 50 residues pruned to eliminate duplicates Z: 43 57.287 2.534 0.944 0.489 0.929 0.595 CB 1.953 43 residues pruned to eliminate duplicates Z: 77 45.140 2.362 0.899 0.396 0.829 0.526 CB 1.554 77 residues pruned to eliminate duplicates Z: 43 59.266 2.654 1.055 0.531 0.905 0.667 CB 1.797 43 residues pruned to eliminate duplicates Z: 51 71.904 2.663 1.183 0.541 0.920 0.620 CB 1.827 51 residues pruned to eliminate duplicates Z: 48 71.686 2.677 1.200 0.567 0.936 0.617 CB 1.778 48 residues pruned to eliminate duplicates Z: 44 58.734 2.620 1.050 0.531 0.907 0.581 CB 1.784 44 residues pruned to eliminate duplicates Z: 43 61.344 2.626 1.139 0.552 0.881 0.619 CB 1.818 43 residues pruned to eliminate duplicates Z: 158 110.058 2.533 1.075 0.511 0.930 0.675 CB 1.778 158 residues pruned to eliminate duplicates Z: 48 68.587 2.672 1.159 0.555 0.915 0.702 CB 1.797 48 residues pruned to eliminate duplicates Z: 112 82.085 2.571 1.133 0.474 0.883 0.568 CB 1.652 112 residues pruned to eliminate duplicates Z: 66 50.177 2.425 1.100 0.399 0.862 0.508 CB 1.578 66 residues pruned to eliminate duplicates Z: 48 46.278 2.526 0.910 0.419 0.872 0.702 CB 1.746 48 residues pruned to eliminate duplicates Z: 20 30.046 2.486 1.071 0.396 0.842 0.474 CB 1.774 20 residues pruned to eliminate duplicates Z: 110 85.926 2.584 1.117 0.474 0.917 0.624 CB 1.685 110 residues pruned to eliminate duplicates Z: 192 110.714 2.516 1.055 0.496 0.927 0.602 CB 1.678 192 residues pruned to eliminate duplicates Z: 79 61.344 2.514 1.044 0.442 0.846 0.564 CB 1.697 79 residues pruned to eliminate duplicates Z: 77 65.407 2.540 1.071 0.470 0.882 0.539 CB 1.668 77 residues pruned to eliminate duplicates Z: 8 11.453 2.284 1.260 0.548 0.714 0.429 CB 1.120 8 residues pruned to eliminate duplicates Z: 158 100.155 2.528 1.050 0.488 0.911 0.618 CB 1.714 158 residues pruned to eliminate duplicates Z: 81 66.278 2.557 1.169 0.447 0.863 0.525 CB 1.635 81 residues pruned to eliminate duplicates Z: 122 98.136 2.552 1.052 0.543 0.917 0.612 CB 1.782 122 residues pruned to eliminate duplicates Z: 48 46.571 2.532 1.080 0.413 0.830 0.617 CB 1.704 48 residues pruned to eliminate duplicates Z: 29 29.958 2.398 1.099 0.347 0.821 0.464 CB 1.616 29 residues pruned to eliminate duplicates Z: 14 24.137 2.467 1.263 0.346 0.846 0.462 CB 1.676 14 residues pruned to eliminate duplicates Z: 50 47.999 2.465 1.103 0.424 0.898 0.469 CB 1.594 50 residues pruned to eliminate duplicates Z: 40 43.299 2.479 1.047 0.388 0.872 0.564 CB 1.766 40 residues pruned to eliminate duplicates Z: 27 31.926 2.525 1.101 0.354 0.846 0.500 CB 1.633 27 residues pruned to eliminate duplicates Z: 31 27.621 2.393 1.061 0.307 0.833 0.433 CB 1.521 31 residues pruned to eliminate duplicates Z: 31 26.695 2.402 0.967 0.316 0.800 0.433 CB 1.580 31 residues pruned to eliminate duplicates Z: 16 20.716 2.402 1.203 0.307 0.733 0.467 CB 1.708 16 residues pruned to eliminate duplicates Z: 108 75.073 2.534 1.109 0.444 0.879 0.607 CB 1.638 108 residues pruned to eliminate duplicates Z: 28 26.131 2.485 0.943 0.327 0.815 0.370 CB 1.546 28 residues pruned to eliminate duplicates Z: 51 49.383 2.448 1.109 0.433 0.880 0.540 CB 1.647 51 residues pruned to eliminate duplicates Z: 53 40.274 2.434 1.008 0.384 0.827 0.404 CB 1.563 53 residues pruned to eliminate duplicates Z: 68 47.202 2.359 1.021 0.396 0.836 0.507 CB 1.615 68 residues pruned to eliminate duplicates Z: 41 39.279 2.477 1.051 0.422 0.900 0.500 CB 1.473 41 residues pruned to eliminate duplicates Z: 66 48.941 2.416 1.132 0.400 0.846 0.508 CB 1.547 66 residues pruned to eliminate duplicates Z: 16 18.010 2.477 1.174 0.308 0.800 0.400 CB 1.336 16 residues pruned to eliminate duplicates Z: 62 46.879 2.476 1.068 0.407 0.836 0.541 CB 1.545 62 residues pruned to eliminate duplicates Z: 25 29.246 2.419 1.003 0.360 0.875 0.458 CB 1.638 25 residues pruned to eliminate duplicates Z: 221 116.881 2.504 1.111 0.487 0.909 0.600 CB 1.662 221 residues pruned to eliminate duplicates Z: 51 48.723 2.452 1.210 0.467 0.880 0.540 CB 1.494 51 residues pruned to eliminate duplicates Z: 6 5.551 1.832 0.775 0.441 0.600 0.400 CB 1.352 6 residues pruned to eliminate duplicates Z: 64 46.261 2.448 1.083 0.408 0.810 0.476 CB 1.554 64 residues pruned to eliminate duplicates Z: 12 10.184 2.059 0.902 0.205 0.727 0.273 C 1.529 12 residues pruned to eliminate duplicates Z: 15 6.498 1.967 0.565 0.278 0.786 0.286 CB 0.922 15 residues pruned to eliminate duplicates Z: 28 28.219 2.463 1.050 0.344 0.815 0.481 CB 1.564 28 residues pruned to eliminate duplicates Z: 50 47.810 2.503 1.170 0.415 0.898 0.551 CB 1.531 52 residues pruned to eliminate duplicates Z: 6 8.214 1.676 1.104 0.290 1.000 0.400 CB 1.319 6 residues pruned to eliminate duplicates Z: 181 113.338 2.537 1.143 0.497 0.906 0.594 CB 1.722 181 residues pruned to eliminate duplicates Z: 29 30.523 2.313 1.223 0.447 0.857 0.429 CB 1.382 29 residues pruned to eliminate duplicates Z: 66 46.772 2.425 1.060 0.401 0.862 0.400 CB 1.496 66 residues pruned to eliminate duplicates Z: 111 76.663 2.509 1.075 0.448 0.891 0.555 CB 1.662 111 residues pruned to eliminate duplicates Z: 60 43.534 2.347 1.164 0.439 0.864 0.475 CB 1.374 60 residues pruned to eliminate duplicates Z: 37 41.186 2.377 1.289 0.487 0.889 0.417 CB 1.437 35 residues pruned to eliminate duplicates Z: 16 26.636 2.253 1.100 0.683 0.867 0.400 CB 1.418 16 residues pruned to eliminate duplicates Z: 63 50.984 2.379 1.175 0.402 0.887 0.484 CB 1.564 63 residues pruned to eliminate duplicates Z: 63 48.504 2.449 1.149 0.394 0.871 0.565 CB 1.503 63 residues pruned to eliminate duplicates Z: 46 42.585 2.352 1.220 0.418 0.889 0.489 CB 1.490 46 residues pruned to eliminate duplicates Z: 54 42.818 2.377 1.107 0.400 0.887 0.491 CB 1.471 54 residues pruned to eliminate duplicates Z: 27 41.670 2.315 1.246 0.567 0.923 0.500 CB 1.596 27 residues pruned to eliminate duplicates Z: 40 43.886 2.495 1.237 0.440 0.872 0.513 CB 1.535 40 residues pruned to eliminate duplicates Z: 24 40.617 2.511 1.080 0.511 0.957 0.391 CB 1.676 26 residues pruned to eliminate duplicates Z: 14 29.411 2.170 1.287 0.726 0.923 0.615 CB 1.453 14 residues pruned to eliminate duplicates Z: 37 36.617 2.409 1.111 0.490 0.833 0.583 CB 1.455 37 residues pruned to eliminate duplicates Z: 35 27.191 2.166 1.102 0.395 0.824 0.412 CB 1.390 35 residues pruned to eliminate duplicates Z: 62 52.343 2.509 1.206 0.396 0.869 0.525 CB 1.556 62 residues pruned to eliminate duplicates Z: 82 56.180 2.491 1.075 0.400 0.852 0.531 CB 1.575 82 residues pruned to eliminate duplicates Z: 38 35.708 2.414 1.189 0.454 0.784 0.514 CB 1.486 38 residues pruned to eliminate duplicates Z: 99 65.589 2.433 1.138 0.440 0.867 0.551 CB 1.562 97 residues pruned to eliminate duplicates Z: 7 5.784 1.703 1.020 0.434 0.833 0.667 CA 0.882 7 residues pruned to eliminate duplicates Z: 66 47.420 2.460 1.144 0.383 0.846 0.446 CB 1.493 66 residues pruned to eliminate duplicates Z: 26 29.824 2.355 0.955 0.500 0.840 0.560 CB 1.543 26 residues pruned to eliminate duplicates Z: 50 43.921 2.475 1.139 0.416 0.898 0.571 CB 1.440 50 residues pruned to eliminate duplicates Z: 38 43.941 2.489 1.162 0.459 0.919 0.568 CB 1.523 38 residues pruned to eliminate duplicates Z: 40 45.940 2.429 1.184 0.495 0.949 0.513 CB 1.469 40 residues pruned to eliminate duplicates Z: 6 10.713 1.959 1.281 0.412 1.000 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 39 52.146 2.519 1.211 0.407 0.895 0.605 CB 1.871 39 residues pruned to eliminate duplicates Z: 107 101.061 2.575 1.088 0.520 0.953 0.613 CB 1.879 107 residues pruned to eliminate duplicates Z: 40 52.690 2.494 1.210 0.388 0.949 0.513 CB 1.817 40 residues pruned to eliminate duplicates Z: 42 49.227 2.448 1.108 0.379 0.951 0.512 CB 1.782 42 residues pruned to eliminate duplicates Z: 40 52.713 2.508 1.175 0.419 0.923 0.538 CB 1.824 40 residues pruned to eliminate duplicates Z: 107 104.296 2.589 1.094 0.527 0.953 0.689 CB 1.909 107 residues pruned to eliminate duplicates Z: 51 60.913 2.500 1.223 0.399 0.920 0.600 CB 1.874 51 residues pruned to eliminate duplicates Z: 37 52.480 2.575 1.174 0.391 0.917 0.639 CB 1.912 37 residues pruned to eliminate duplicates Z: 39 46.628 2.500 1.049 0.374 0.921 0.526 CB 1.834 39 residues pruned to eliminate duplicates Z: 52 53.522 2.481 1.052 0.391 0.902 0.608 CB 1.830 52 residues pruned to eliminate duplicates Z: 109 96.213 2.547 1.031 0.518 0.944 0.630 CB 1.863 109 residues pruned to eliminate duplicates Z: 39 51.020 2.517 1.120 0.399 0.921 0.500 CB 1.873 39 residues pruned to eliminate duplicates Z: 25 30.509 2.355 1.150 0.357 0.875 0.500 CB 1.641 25 residues pruned to eliminate duplicates Z: 42 50.966 2.461 1.196 0.374 0.927 0.439 CB 1.818 42 residues pruned to eliminate duplicates Z: 40 49.886 2.480 1.187 0.376 0.923 0.462 CB 1.821 40 residues pruned to eliminate duplicates Z: 39 53.235 2.533 1.189 0.403 0.921 0.553 CB 1.873 39 residues pruned to eliminate duplicates Z: 51 54.333 2.498 1.091 0.401 0.920 0.580 CB 1.774 51 residues pruned to eliminate duplicates Z: 108 101.532 2.570 1.110 0.520 0.953 0.645 CB 1.863 108 residues pruned to eliminate duplicates Z: 29 40.015 2.526 1.196 0.365 0.893 0.536 CB 1.767 29 residues pruned to eliminate duplicates Z: 39 52.498 2.507 1.242 0.421 0.895 0.711 CB 1.839 39 residues pruned to eliminate duplicates Z: 39 55.115 2.522 1.256 0.408 0.921 0.579 CB 1.878 39 residues pruned to eliminate duplicates Z: 38 56.011 2.566 1.176 0.417 0.946 0.595 CB 1.900 38 residues pruned to eliminate duplicates Z: 107 98.852 2.565 1.048 0.526 0.943 0.604 CB 1.888 107 residues pruned to eliminate duplicates Z: 157 111.935 2.544 1.077 0.522 0.929 0.673 CB 1.785 157 residues pruned to eliminate duplicates Z: 109 96.917 2.563 1.069 0.514 0.926 0.620 CB 1.873 109 residues pruned to eliminate duplicates Z: 109 103.018 2.571 1.172 0.516 0.944 0.639 CB 1.851 109 residues pruned to eliminate duplicates Z: 50 59.497 2.517 1.211 0.404 0.898 0.673 CB 1.883 50 residues pruned to eliminate duplicates Z: 40 51.156 2.471 1.189 0.420 0.923 0.615 CB 1.784 40 residues pruned to eliminate duplicates Z: 83 90.275 2.501 1.175 0.571 0.939 0.634 CB 1.823 83 residues pruned to eliminate duplicates Z: 40 51.764 2.492 1.278 0.395 0.897 0.564 CB 1.817 40 residues pruned to eliminate duplicates Z: 39 51.330 2.480 1.308 0.391 0.895 0.553 CB 1.825 39 residues pruned to eliminate duplicates Z: 39 50.277 2.511 1.239 0.394 0.895 0.526 CB 1.813 39 residues pruned to eliminate duplicates Z: 108 102.780 2.577 1.116 0.525 0.953 0.692 CB 1.865 108 residues pruned to eliminate duplicates Z: 84 81.546 2.491 1.045 0.540 0.940 0.614 CB 1.799 84 residues pruned to eliminate duplicates Z: 108 102.848 2.568 1.148 0.517 0.944 0.664 CB 1.877 108 residues pruned to eliminate duplicates Z: 107 101.180 2.588 1.108 0.506 0.953 0.642 CB 1.880 107 residues pruned to eliminate duplicates Z: 109 100.591 2.565 1.112 0.518 0.954 0.639 CB 1.841 109 residues pruned to eliminate duplicates Z: 107 101.560 2.565 1.120 0.513 0.953 0.623 CB 1.879 107 residues pruned to eliminate duplicates Z: 70 87.116 2.590 1.038 0.591 0.971 0.652 CB 1.877 70 residues pruned to eliminate duplicates Z: 84 84.556 2.529 1.090 0.542 0.928 0.614 CB 1.817 84 residues pruned to eliminate duplicates Z: 70 90.593 2.604 1.124 0.571 0.971 0.623 CB 1.895 70 residues pruned to eliminate duplicates Z: 70 87.149 2.603 1.051 0.582 0.957 0.638 CB 1.899 70 residues pruned to eliminate duplicates Z: 70 88.874 2.594 1.086 0.599 0.957 0.710 CB 1.882 70 residues pruned to eliminate duplicates Z: 105 97.852 2.584 1.048 0.521 0.952 0.577 CB 1.865 105 residues pruned to eliminate duplicates Z: 81 88.456 2.528 1.065 0.571 0.963 0.637 CB 1.837 81 residues pruned to eliminate duplicates Z: 70 90.208 2.583 1.042 0.604 0.971 0.652 CB 1.920 70 residues pruned to eliminate duplicates Z: 109 92.335 2.555 1.057 0.514 0.917 0.611 CB 1.818 109 residues pruned to eliminate duplicates Z: 82 83.694 2.524 0.926 0.565 0.951 0.667 CB 1.890 82 residues pruned to eliminate duplicates Z: 106 102.599 2.592 1.065 0.528 0.962 0.667 CB 1.891 106 residues pruned to eliminate duplicates Z: 13 16.961 2.032 0.566 0.516 0.917 0.500 CB 1.652 13 residues pruned to eliminate duplicates Z: 70 85.538 2.597 0.964 0.590 0.971 0.681 CB 1.908 70 residues pruned to eliminate duplicates Z: 70 83.387 2.583 1.066 0.592 0.942 0.652 CB 1.829 70 residues pruned to eliminate duplicates Z: 71 82.648 2.554 1.017 0.575 0.971 0.643 CB 1.837 71 residues pruned to eliminate duplicates Z: 108 99.201 2.564 1.125 0.510 0.944 0.570 CB 1.846 108 residues pruned to eliminate duplicates Z: 91 93.314 2.586 1.093 0.541 0.944 0.656 CB 1.848 91 residues pruned to eliminate duplicates Z: 82 83.777 2.512 1.108 0.568 0.926 0.654 CB 1.779 82 residues pruned to eliminate duplicates Z: 71 83.946 2.568 1.038 0.579 0.943 0.643 CB 1.884 71 residues pruned to eliminate duplicates Z: 70 86.562 2.589 1.062 0.587 0.957 0.667 CB 1.878 70 residues pruned to eliminate duplicates Z: 70 83.944 2.591 1.057 0.589 0.942 0.652 CB 1.848 70 residues pruned to eliminate duplicates Z: 108 102.604 2.572 1.147 0.519 0.944 0.673 CB 1.868 108 residues pruned to eliminate duplicates Z: 109 101.086 2.560 1.152 0.528 0.944 0.630 CB 1.818 109 residues pruned to eliminate duplicates Z: 70 84.408 2.555 1.053 0.576 0.971 0.667 CB 1.854 70 residues pruned to eliminate duplicates Z: 67 66.895 2.498 1.046 0.501 0.924 0.682 CB 1.742 67 residues pruned to eliminate duplicates Z: 58 85.933 2.607 1.111 0.630 0.965 0.719 CB 1.898 58 residues pruned to eliminate duplicates Z: 70 95.258 2.596 1.214 0.592 0.971 0.710 CB 1.882 70 residues pruned to eliminate duplicates Z: 108 99.651 2.571 1.119 0.521 0.935 0.654 CB 1.854 108 residues pruned to eliminate duplicates Z: 69 87.533 2.610 1.074 0.593 0.956 0.706 CB 1.878 69 residues pruned to eliminate duplicates Z: 71 78.609 2.552 1.028 0.576 0.929 0.686 CB 1.818 71 residues pruned to eliminate duplicates Z: 70 87.909 2.595 1.094 0.592 0.957 0.710 CB 1.865 70 residues pruned to eliminate duplicates Z: 108 100.290 2.579 1.163 0.516 0.925 0.664 CB 1.848 108 residues pruned to eliminate duplicates Z: 69 90.998 2.615 1.092 0.599 0.971 0.735 CB 1.891 69 residues pruned to eliminate duplicates Z: 70 89.109 2.604 1.065 0.598 0.971 0.696 CB 1.871 70 residues pruned to eliminate duplicates Z: 102 97.934 2.565 1.099 0.534 0.941 0.614 CB 1.862 102 residues pruned to eliminate duplicates Z: 69 87.575 2.607 1.117 0.594 0.956 0.662 CB 1.839 69 residues pruned to eliminate duplicates Z: 108 102.051 2.565 1.132 0.531 0.953 0.682 CB 1.836 108 residues pruned to eliminate duplicates Z: 70 88.839 2.577 1.033 0.599 0.971 0.681 CB 1.912 70 residues pruned to eliminate duplicates Z: 72 79.560 2.570 1.009 0.570 0.958 0.648 CB 1.785 72 residues pruned to eliminate duplicates Z: 70 86.097 2.569 1.026 0.591 0.957 0.667 CB 1.907 70 residues pruned to eliminate duplicates Z: 70 88.288 2.580 1.112 0.572 0.957 0.754 CB 1.903 70 residues pruned to eliminate duplicates Z: 70 86.042 2.594 1.023 0.586 0.971 0.696 CB 1.872 70 residues pruned to eliminate duplicates Z: 71 84.581 2.557 1.075 0.592 0.943 0.743 CB 1.850 71 residues pruned to eliminate duplicates Z: 67 89.642 2.586 1.059 0.618 0.970 0.652 CB 1.912 67 residues pruned to eliminate duplicates Z: 82 83.071 2.519 1.046 0.563 0.926 0.642 CB 1.818 82 residues pruned to eliminate duplicates Z: 69 87.484 2.613 1.080 0.587 0.956 0.603 CB 1.878 69 residues pruned to eliminate duplicates Z: 67 84.974 2.588 0.971 0.601 0.985 0.712 CB 1.890 67 residues pruned to eliminate duplicates Z: 69 90.355 2.609 1.085 0.599 0.971 0.706 CB 1.889 69 residues pruned to eliminate duplicates Z: 109 105.538 2.571 1.208 0.528 0.935 0.685 CB 1.860 109 residues pruned to eliminate duplicates Z: 71 87.086 2.571 1.147 0.581 0.943 0.600 CB 1.851 71 residues pruned to eliminate duplicates Z: 71 86.031 2.562 1.082 0.592 0.943 0.657 CB 1.873 71 residues pruned to eliminate duplicates Z: 71 86.770 2.588 1.124 0.575 0.957 0.614 CB 1.833 71 residues pruned to eliminate duplicates Z: 107 109.722 2.593 1.195 0.535 0.962 0.698 CB 1.879 107 residues pruned to eliminate duplicates Z: 72 83.944 2.532 1.137 0.572 0.944 0.634 CB 1.820 72 residues pruned to eliminate duplicates Z: 109 102.238 2.564 1.202 0.506 0.944 0.630 CB 1.834 109 residues pruned to eliminate duplicates Z: 69 83.225 2.561 1.092 0.583 0.956 0.647 CB 1.820 69 residues pruned to eliminate duplicates Z: 71 87.390 2.545 1.104 0.582 0.957 0.743 CB 1.882 71 residues pruned to eliminate duplicates Z: 64 90.301 2.575 1.222 0.598 0.952 0.714 CB 1.901 64 residues pruned to eliminate duplicates Z: 149 104.942 2.524 1.097 0.493 0.905 0.655 CB 1.813 149 residues pruned to eliminate duplicates Z: 109 96.972 2.546 1.180 0.509 0.917 0.676 CB 1.818 109 residues pruned to eliminate duplicates Z: 67 88.714 2.616 1.096 0.613 0.939 0.742 CB 1.904 67 residues pruned to eliminate duplicates Z: 68 86.491 2.588 1.101 0.588 0.970 0.746 CB 1.840 68 residues pruned to eliminate duplicates Z: 135 91.941 2.476 1.028 0.527 0.903 0.672 CB 1.706 135 residues pruned to eliminate duplicates Z: 164 106.474 2.509 1.038 0.497 0.920 0.663 CB 1.778 164 residues pruned to eliminate duplicates Z: 116 60.343 2.339 0.920 0.438 0.870 0.548 CB 1.536 116 residues pruned to eliminate duplicates Z: 139 100.056 2.523 1.020 0.529 0.920 0.652 CB 1.764 139 residues pruned to eliminate duplicates Z: 139 100.895 2.529 1.064 0.520 0.906 0.594 CB 1.781 139 residues pruned to eliminate duplicates Z: 55 50.880 2.436 1.003 0.521 0.852 0.630 CB 1.633 55 residues pruned to eliminate duplicates Z: 50 55.087 2.483 0.986 0.540 0.898 0.735 CB 1.708 50 residues pruned to eliminate duplicates Z: 26 52.384 2.692 1.067 0.616 0.920 0.720 CB 1.834 26 residues pruned to eliminate duplicates Z: 17 47.016 2.589 1.187 0.702 0.938 0.625 CB 1.842 17 residues pruned to eliminate duplicates Z: 121 99.855 2.552 1.088 0.556 0.908 0.667 CB 1.784 121 residues pruned to eliminate duplicates Z: 70 62.538 2.459 1.075 0.497 0.899 0.623 CB 1.647 70 residues pruned to eliminate duplicates Z: 114 62.770 2.351 0.970 0.454 0.876 0.540 CB 1.525 114 residues pruned to eliminate duplicates Z: 147 95.435 2.508 0.983 0.519 0.911 0.596 CB 1.711 147 residues pruned to eliminate duplicates Z: 52 52.815 2.488 0.972 0.529 0.882 0.686 CB 1.661 52 residues pruned to eliminate duplicates Z: 43 46.803 2.408 0.984 0.557 0.881 0.667 CB 1.624 43 residues pruned to eliminate duplicates Z: 42 42.468 2.417 0.948 0.528 0.854 0.659 CB 1.606 42 residues pruned to eliminate duplicates Z: 150 92.863 2.472 1.025 0.498 0.913 0.624 CB 1.668 150 residues pruned to eliminate duplicates Z: 120 94.982 2.541 1.021 0.543 0.916 0.681 CB 1.775 120 residues pruned to eliminate duplicates Z: 28 37.795 2.588 0.930 0.524 0.889 0.481 CB 1.601 28 residues pruned to eliminate duplicates Z: 71 49.236 2.396 0.898 0.450 0.857 0.629 CB 1.589 71 residues pruned to eliminate duplicates Z: 80 50.046 2.353 0.935 0.459 0.848 0.506 CB 1.520 80 residues pruned to eliminate duplicates Z: 34 33.026 2.351 0.867 0.442 0.909 0.697 CB 1.529 34 residues pruned to eliminate duplicates Z: 51 46.562 2.410 0.919 0.495 0.880 0.580 CB 1.625 51 residues pruned to eliminate duplicates Z: 115 61.420 2.330 0.955 0.451 0.868 0.588 CB 1.529 115 residues pruned to eliminate duplicates Z: 138 89.439 2.486 0.996 0.515 0.891 0.672 CB 1.704 138 residues pruned to eliminate duplicates Z: 41 52.387 2.528 1.014 0.572 0.925 0.625 CB 1.641 41 residues pruned to eliminate duplicates Z: 129 96.907 2.534 1.066 0.529 0.914 0.594 CB 1.739 129 residues pruned to eliminate duplicates Z: 49 40.551 2.368 0.849 0.477 0.875 0.750 CB 1.563 49 residues pruned to eliminate duplicates Z: 85 47.249 2.262 0.924 0.424 0.869 0.512 CB 1.475 85 residues pruned to eliminate duplicates Z: 54 51.450 2.450 1.053 0.521 0.868 0.604 CB 1.586 54 residues pruned to eliminate duplicates Z: 34 28.449 2.320 0.786 0.460 0.848 0.667 CB 1.467 34 residues pruned to eliminate duplicates Z: 33 35.042 2.393 0.892 0.475 0.875 0.719 CB 1.604 33 residues pruned to eliminate duplicates Z: 49 54.383 2.512 1.110 0.538 0.875 0.604 CB 1.631 49 residues pruned to eliminate duplicates Z: 78 54.394 2.449 1.017 0.468 0.844 0.571 CB 1.535 78 residues pruned to eliminate duplicates Z: 37 50.889 2.508 1.029 0.579 0.944 0.611 CB 1.635 37 residues pruned to eliminate duplicates Z: 49 46.611 2.443 0.883 0.502 0.875 0.688 CB 1.668 49 residues pruned to eliminate duplicates Z: 64 47.753 2.389 0.911 0.475 0.857 0.587 CB 1.577 64 residues pruned to eliminate duplicates Z: 50 47.968 2.434 0.890 0.531 0.878 0.653 CB 1.646 50 residues pruned to eliminate duplicates Z: 33 22.248 2.189 0.799 0.316 0.812 0.562 CB 1.507 33 residues pruned to eliminate duplicates Z: 52 49.446 2.491 0.937 0.510 0.882 0.588 CB 1.611 52 residues pruned to eliminate duplicates Z: 52 54.724 2.510 0.993 0.534 0.882 0.608 CB 1.679 52 residues pruned to eliminate duplicates Z: 115 64.231 2.342 0.980 0.482 0.877 0.509 CB 1.506 115 residues pruned to eliminate duplicates Z: 171 97.682 2.453 1.011 0.505 0.900 0.535 CB 1.678 171 residues pruned to eliminate duplicates Z: 99 51.744 2.279 0.929 0.423 0.888 0.541 CB 1.452 104 residues pruned to eliminate duplicates Z: 6 6.107 1.567 1.029 0.456 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 73 48.942 2.329 0.909 0.448 0.875 0.500 CB 1.564 73 residues pruned to eliminate duplicates Z: 60 40.682 2.357 0.836 0.417 0.881 0.542 CB 1.515 60 residues pruned to eliminate duplicates Z: 66 48.308 2.406 0.987 0.473 0.831 0.538 CB 1.551 66 residues pruned to eliminate duplicates Z: 140 96.724 2.510 1.064 0.509 0.899 0.597 CB 1.746 140 residues pruned to eliminate duplicates Z: 28 29.693 2.317 1.000 0.351 0.963 0.444 CB 1.505 28 residues pruned to eliminate duplicates Z: 28 16.821 2.237 0.725 0.267 0.778 0.407 CB 1.406 28 residues pruned to eliminate duplicates Z: 22 26.939 2.293 1.027 0.364 0.857 0.524 CB 1.707 22 residues pruned to eliminate duplicates Z: 15 11.379 2.161 0.760 0.302 0.786 0.571 CB 1.270 15 residues pruned to eliminate duplicates Z: 51 34.061 2.219 1.032 0.403 0.840 0.480 CB 1.409 51 residues pruned to eliminate duplicates Z: 65 36.732 2.211 0.884 0.394 0.875 0.469 CB 1.410 65 residues pruned to eliminate duplicates Z: 28 25.531 2.287 0.909 0.335 0.889 0.481 CB 1.516 28 residues pruned to eliminate duplicates Z: 63 42.641 2.231 0.935 0.430 0.919 0.548 CB 1.466 65 residues pruned to eliminate duplicates Z: 6 8.551 1.641 1.381 0.452 1.000 0.800 CB 1.028 6 residues pruned to eliminate duplicates Z: 28 23.287 2.211 0.897 0.299 0.889 0.370 CB 1.505 28 residues pruned to eliminate duplicates Z: 26 31.636 2.307 0.956 0.415 1.000 0.520 CB 1.532 26 residues pruned to eliminate duplicates Z: 23 21.956 2.195 0.871 0.356 0.864 0.545 CB 1.542 23 residues pruned to eliminate duplicates Z: 63 38.926 2.272 0.865 0.410 0.871 0.581 CB 1.473 63 residues pruned to eliminate duplicates Z: 27 20.337 2.258 0.721 0.373 0.769 0.462 CB 1.528 27 residues pruned to eliminate duplicates Z: 26 26.678 2.348 0.795 0.369 0.960 0.640 CB 1.517 26 residues pruned to eliminate duplicates Z: 28 23.975 2.305 0.908 0.336 0.815 0.407 CB 1.541 28 residues pruned to eliminate duplicates Z: 32 16.905 2.096 0.793 0.319 0.742 0.484 CB 1.329 32 residues pruned to eliminate duplicates Z: 29 20.892 2.204 0.991 0.306 0.786 0.464 CB 1.421 29 residues pruned to eliminate duplicates Z: 16 20.234 2.329 1.109 0.326 0.867 0.467 CB 1.485 16 residues pruned to eliminate duplicates Z: 15 17.423 2.367 1.046 0.364 0.786 0.429 CB 1.416 15 residues pruned to eliminate duplicates Z: 50 35.168 2.254 0.990 0.419 0.878 0.469 CB 1.388 50 residues pruned to eliminate duplicates Z: 15 19.556 2.370 0.965 0.343 0.786 0.429 CB 1.694 15 residues pruned to eliminate duplicates Z: 30 25.014 2.237 0.876 0.335 0.862 0.414 CB 1.538 30 residues pruned to eliminate duplicates Z: 12 8.028 2.148 0.742 0.225 0.818 0.182 CB 1.090 12 residues pruned to eliminate duplicates Z: 27 23.471 2.262 0.982 0.358 0.846 0.538 CB 1.415 27 residues pruned to eliminate duplicates Z: 51 37.098 2.288 1.011 0.440 0.860 0.520 CB 1.411 51 residues pruned to eliminate duplicates Z: 39 29.831 2.246 1.060 0.403 0.842 0.447 CB 1.376 39 residues pruned to eliminate duplicates Z: 36 26.129 2.308 0.883 0.305 0.857 0.457 CB 1.473 36 residues pruned to eliminate duplicates Z: 41 29.230 2.201 1.042 0.427 0.850 0.550 CB 1.305 41 residues pruned to eliminate duplicates Z: 41 28.159 2.104 0.826 0.469 0.900 0.550 CB 1.329 37 residues pruned to eliminate duplicates Z: 7 4.832 1.638 0.297 0.463 0.833 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 25 21.496 2.124 0.854 0.488 0.875 0.417 CB 1.288 25 residues pruned to eliminate duplicates Z: 40 32.416 2.246 1.057 0.437 0.897 0.462 CB 1.336 40 residues pruned to eliminate duplicates Z: 31 26.240 2.115 1.039 0.466 0.933 0.533 CB 1.232 31 residues pruned to eliminate duplicates Z: 22 28.557 2.133 0.999 0.572 1.000 0.381 CB 1.363 22 residues pruned to eliminate duplicates Z: 30 29.436 2.151 0.998 0.549 0.931 0.345 CB 1.302 30 residues pruned to eliminate duplicates Z: 36 32.850 2.235 0.937 0.492 0.914 0.457 CB 1.414 36 residues pruned to eliminate duplicates Z: 41 31.135 2.181 0.999 0.455 0.900 0.400 CB 1.314 41 residues pruned to eliminate duplicates Z: 51 34.773 2.215 1.003 0.398 0.900 0.480 CB 1.371 51 residues pruned to eliminate duplicates Z: 37 35.254 2.216 1.115 0.493 0.889 0.444 CB 1.420 41 residues pruned to eliminate duplicates Z: 11 25.362 2.232 0.991 0.826 0.800 0.700 CB 1.701 11 residues pruned to eliminate duplicates Z: 25 35.159 2.284 1.047 0.586 0.917 0.583 CB 1.542 25 residues pruned to eliminate duplicates Z: 38 31.147 2.191 1.007 0.465 0.865 0.514 CB 1.396 38 residues pruned to eliminate duplicates Z: 26 29.701 2.115 1.147 0.518 0.920 0.440 CB 1.397 26 residues pruned to eliminate duplicates Z: 97 54.333 2.296 0.993 0.427 0.896 0.552 CB 1.459 97 residues pruned to eliminate duplicates Z: 13 26.569 2.060 0.906 0.740 1.000 0.750 CB 1.576 13 residues pruned to eliminate duplicates Z: 27 31.886 2.233 1.094 0.533 0.846 0.538 CB 1.530 27 residues pruned to eliminate duplicates Z: 6 6.561 1.755 1.089 0.498 0.800 0.600 CB 1.002 6 residues pruned to eliminate duplicates Z: 38 32.441 2.191 0.980 0.482 0.892 0.514 CB 1.403 37 residues pruned to eliminate duplicates Z: 7 4.990 1.722 1.094 0.368 0.667 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 25 37.083 2.299 1.143 0.545 0.917 0.500 CB 1.604 26 residues pruned to eliminate duplicates Z: 6 7.881 1.753 0.881 0.462 1.000 0.400 CA 1.111 6 residues pruned to eliminate duplicates Z: 52 38.038 2.272 1.006 0.433 0.882 0.588 CB 1.420 52 residues pruned to eliminate duplicates Z: 37 36.868 2.245 1.138 0.505 0.889 0.611 CB 1.433 37 residues pruned to eliminate duplicates Z: 6 2.870 1.380 0.385 0.461 0.800 0.600 CA 0.874 6 residues pruned to eliminate duplicates Z: 37 34.060 2.194 0.985 0.514 0.917 0.528 CB 1.403 37 residues pruned to eliminate duplicates 438 residues left after pruning, divided into chains as follows: A: 219 B: 219 CC for partial structure against native data = 46.37 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.780, Connect. = 0.778 for dens.mod. cycle 1 = 0.300, Contrast = 0.888, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.099, Connect. = 0.826 for dens.mod. cycle 3 = 0.300, Contrast = 1.130, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.156, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.164, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.172, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.174, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.177, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.177, Connect. = 0.834 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2791 peaks > 0.5 sigma used to seed fragment search Space for about 836 unique residues taking solvent into account 590 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 53 48.848 2.446 0.978 0.490 0.865 0.577 CB 1.634 B: 22 63.767 2.750 0.804 0.920 1.000 0.857 CA 1.976 C: 23 61.331 2.680 0.897 0.919 0.955 0.727 CA 1.899 22 residues pruned to eliminate duplicates D: 19 35.129 2.601 0.968 0.467 0.889 0.667 CB 1.881 20 residues pruned to eliminate duplicates E: 24 51.906 2.527 0.662 0.923 1.000 0.913 CB 1.811 F: 15 38.489 2.601 0.442 0.924 1.000 0.929 CA 1.926 15 residues pruned to eliminate duplicates G: 23 77.550 2.682 1.289 0.926 1.000 0.773 CA 1.888 23 residues pruned to eliminate duplicates H: 22 64.395 2.717 0.912 0.922 1.000 0.952 CA 1.902 22 residues pruned to eliminate duplicates I: 24 50.455 2.605 0.707 0.867 0.957 0.826 CB 1.809 24 residues pruned to eliminate duplicates J: 15 42.199 2.468 1.146 0.915 0.929 0.857 CB 1.621 K: 14 56.814 2.666 1.489 0.869 1.000 0.615 CA 1.735 21 residues pruned to eliminate duplicates L: 15 37.864 2.489 1.150 0.897 0.929 0.714 CB 1.458 14 residues pruned to eliminate duplicates M: 10 33.418 2.519 1.087 0.835 0.889 0.556 CB 1.785 10 residues pruned to eliminate duplicates N: 23 56.979 2.616 0.745 0.909 1.000 0.864 CA 1.889 23 residues pruned to eliminate duplicates O: 15 42.001 2.521 1.208 0.847 0.857 0.857 CA 1.747 15 residues pruned to eliminate duplicates P: 23 56.911 2.682 0.760 0.882 0.955 0.864 CA 1.948 23 residues pruned to eliminate duplicates Q: 26 28.369 2.454 1.000 0.390 0.840 0.560 CB 1.546 R: 23 54.232 2.614 0.637 0.913 1.000 0.864 CA 1.912 24 residues pruned to eliminate duplicates S: 14 42.525 2.591 0.957 0.898 1.000 0.769 CB 1.663 15 residues pruned to eliminate duplicates T: 23 77.790 2.665 1.222 0.928 1.000 0.682 CA 1.962 22 residues pruned to eliminate duplicates U: 15 52.444 2.570 1.234 0.856 1.000 0.643 CB 1.800 15 residues pruned to eliminate duplicates V: 24 46.269 2.596 0.660 0.852 0.913 0.870 CA 1.814 24 residues pruned to eliminate duplicates W: 23 67.538 2.675 0.969 0.930 1.000 0.864 CA 1.912 23 residues pruned to eliminate duplicates X: 23 67.566 2.642 1.100 0.916 0.955 0.636 CA 1.921 23 residues pruned to eliminate duplicates Y: 12 38.653 2.507 1.062 0.910 1.000 0.909 CB 1.599 12 residues pruned to eliminate duplicates Z: 15 42.387 2.526 1.396 0.822 0.857 0.786 CB 1.652 15 residues pruned to eliminate duplicates Z: 23 57.682 2.597 0.743 0.916 1.000 1.000 CA 1.918 23 residues pruned to eliminate duplicates Z: 22 63.593 2.642 1.094 0.934 1.000 0.619 CB 1.750 23 residues pruned to eliminate duplicates Z: 24 58.241 2.593 0.804 0.932 1.000 0.913 CA 1.812 22 residues pruned to eliminate duplicates Z: 21 79.427 2.772 1.239 0.921 0.950 0.500 CA 2.120 21 residues pruned to eliminate duplicates Z: 23 71.440 2.647 1.149 0.932 1.000 0.773 CB 1.870 24 residues pruned to eliminate duplicates Z: 15 39.880 2.474 0.937 0.870 1.000 0.786 CB 1.623 15 residues pruned to eliminate duplicates Z: 24 54.192 2.567 0.711 0.916 1.000 0.739 CA 1.817 24 residues pruned to eliminate duplicates Z: 14 43.275 2.696 0.854 0.887 1.000 0.538 CB 1.731 14 residues pruned to eliminate duplicates Z: 22 58.095 2.652 0.824 0.946 0.952 0.952 CB 1.902 23 residues pruned to eliminate duplicates Z: 23 65.088 2.585 1.097 0.919 0.955 0.591 CB 1.890 23 residues pruned to eliminate duplicates Z: 75 51.389 2.375 0.883 0.463 0.878 0.568 CB 1.579 16 residues pruned to eliminate duplicates Z: 15 40.343 2.542 1.081 0.889 1.000 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 22 75.884 2.697 1.217 0.925 1.000 0.619 CB 1.943 22 residues pruned to eliminate duplicates Z: 14 54.898 2.694 1.471 0.853 1.000 0.769 CA 1.691 14 residues pruned to eliminate duplicates Z: 15 50.331 2.532 1.265 0.893 1.000 0.786 CB 1.683 15 residues pruned to eliminate duplicates Z: 14 31.329 2.165 1.061 0.780 1.000 0.462 CA 1.521 Z: 23 48.379 2.589 0.568 0.907 1.000 0.909 CA 1.806 22 residues pruned to eliminate duplicates Z: 70 87.568 2.589 1.101 0.604 0.942 0.739 CB 1.863 24 residues pruned to eliminate duplicates Z: 109 91.422 2.528 0.983 0.509 0.926 0.611 CB 1.878 71 residues pruned to eliminate duplicates Z: 24 66.847 2.564 1.084 0.926 1.000 0.783 CA 1.829 24 residues pruned to eliminate duplicates Z: 49 48.061 2.422 1.045 0.393 0.896 0.667 CB 1.751 Z: 30 29.439 2.447 0.952 0.361 0.897 0.448 CB 1.483 26 residues pruned to eliminate duplicates Z: 22 56.624 2.676 0.797 0.912 0.952 0.810 CB 1.911 22 residues pruned to eliminate duplicates Z: 11 19.039 2.232 0.568 0.748 0.900 0.700 CB 1.532 11 residues pruned to eliminate duplicates Z: 24 46.605 2.508 0.678 0.919 0.913 0.783 CA 1.783 24 residues pruned to eliminate duplicates Z: 108 103.293 2.572 1.163 0.525 0.935 0.682 CB 1.874 108 residues pruned to eliminate duplicates Z: 20 31.486 2.610 0.966 0.415 0.842 0.632 CB 1.826 20 residues pruned to eliminate duplicates Z: 78 56.322 2.404 1.015 0.475 0.870 0.506 CB 1.562 75 residues pruned to eliminate duplicates Z: 71 81.736 2.559 1.003 0.566 0.957 0.657 CB 1.868 71 residues pruned to eliminate duplicates Z: 29 27.938 2.452 1.029 0.327 0.821 0.500 CB 1.562 29 residues pruned to eliminate duplicates Z: 50 49.892 2.426 1.115 0.451 0.939 0.510 CB 1.557 31 residues pruned to eliminate duplicates Z: 11 14.011 2.180 0.517 0.841 0.900 0.900 CB 1.109 11 residues pruned to eliminate duplicates Z: 185 110.183 2.532 1.048 0.485 0.902 0.636 CB 1.762 145 residues pruned to eliminate duplicates Z: 48 55.974 2.492 1.088 0.546 0.915 0.596 CB 1.640 48 residues pruned to eliminate duplicates Z: 71 83.053 2.561 1.062 0.575 0.957 0.571 CB 1.827 71 residues pruned to eliminate duplicates Z: 38 53.476 2.520 1.187 0.416 0.946 0.568 CB 1.840 38 residues pruned to eliminate duplicates Z: 24 65.470 2.650 1.071 0.873 0.957 0.739 CA 1.894 24 residues pruned to eliminate duplicates Z: 15 43.919 2.494 1.053 0.866 0.929 0.857 CA 1.806 15 residues pruned to eliminate duplicates Z: 23 72.789 2.643 1.183 0.931 1.000 0.682 CB 1.880 23 residues pruned to eliminate duplicates Z: 69 81.743 2.584 1.025 0.604 0.941 0.735 CB 1.823 69 residues pruned to eliminate duplicates Z: 108 92.463 2.535 1.021 0.523 0.953 0.654 CB 1.789 108 residues pruned to eliminate duplicates Z: 24 59.565 2.601 1.006 0.874 0.957 0.739 CB 1.812 24 residues pruned to eliminate duplicates Z: 23 65.331 2.643 0.921 0.918 1.000 0.818 CA 1.934 23 residues pruned to eliminate duplicates Z: 34 27.987 2.275 0.849 0.412 0.879 0.394 CB 1.446 34 residues pruned to eliminate duplicates Z: 23 57.505 2.649 0.766 0.920 1.000 0.909 CA 1.845 23 residues pruned to eliminate duplicates Z: 64 40.115 2.257 0.997 0.420 0.857 0.508 CB 1.422 27 residues pruned to eliminate duplicates Z: 22 27.115 2.331 0.985 0.372 0.857 0.571 CB 1.711 22 residues pruned to eliminate duplicates Z: 38 53.081 2.536 1.289 0.399 0.892 0.649 CB 1.874 39 residues pruned to eliminate duplicates Z: 14 28.595 2.142 0.858 0.798 1.000 0.769 CA 1.535 14 residues pruned to eliminate duplicates Z: 71 83.313 2.535 1.093 0.587 0.943 0.614 CB 1.832 71 residues pruned to eliminate duplicates Z: 108 83.242 2.500 0.951 0.503 0.925 0.617 CB 1.777 108 residues pruned to eliminate duplicates Z: 108 101.698 2.559 1.125 0.522 0.944 0.692 CB 1.874 108 residues pruned to eliminate duplicates Z: 68 67.133 2.544 0.965 0.523 0.896 0.627 CB 1.792 68 residues pruned to eliminate duplicates Z: 37 48.994 2.488 1.067 0.425 0.972 0.639 CB 1.765 38 residues pruned to eliminate duplicates Z: 62 51.687 2.503 1.160 0.422 0.869 0.508 CB 1.528 62 residues pruned to eliminate duplicates Z: 24 70.284 2.623 1.013 0.924 1.000 0.739 CA 1.948 24 residues pruned to eliminate duplicates Z: 87 92.533 2.533 1.062 0.580 0.965 0.593 CB 1.833 87 residues pruned to eliminate duplicates Z: 39 40.938 2.438 1.032 0.419 0.868 0.711 CB 1.680 39 residues pruned to eliminate duplicates Z: 38 52.389 2.526 1.267 0.394 0.892 0.541 CB 1.885 38 residues pruned to eliminate duplicates Z: 48 50.895 2.441 1.112 0.408 0.915 0.574 CB 1.735 48 residues pruned to eliminate duplicates Z: 23 55.699 2.624 0.899 0.877 0.955 0.818 CB 1.813 23 residues pruned to eliminate duplicates Z: 47 52.318 2.555 0.909 0.574 0.870 0.674 CB 1.694 47 residues pruned to eliminate duplicates Z: 33 32.817 2.395 1.073 0.453 0.875 0.406 CB 1.402 33 residues pruned to eliminate duplicates Z: 9 20.609 2.429 0.538 0.901 0.875 0.875 CB 1.591 9 residues pruned to eliminate duplicates Z: 13 46.957 2.533 1.269 0.918 1.000 0.667 CB 1.663 13 residues pruned to eliminate duplicates Z: 109 103.295 2.556 1.207 0.517 0.935 0.639 CB 1.853 108 residues pruned to eliminate duplicates Z: 69 80.111 2.577 1.023 0.596 0.912 0.676 CB 1.865 69 residues pruned to eliminate duplicates Z: 107 96.156 2.538 1.114 0.520 0.953 0.689 CB 1.791 106 residues pruned to eliminate duplicates Z: 52 54.779 2.565 0.950 0.523 0.882 0.647 CB 1.699 52 residues pruned to eliminate duplicates Z: 30 32.125 2.390 0.832 0.365 0.897 0.552 CB 1.758 28 residues pruned to eliminate duplicates Z: 108 91.197 2.525 1.098 0.500 0.935 0.645 CB 1.780 108 residues pruned to eliminate duplicates Z: 51 59.330 2.560 1.194 0.522 0.880 0.660 CB 1.661 51 residues pruned to eliminate duplicates Z: 57 79.650 2.601 0.963 0.644 0.982 0.839 CB 1.855 57 residues pruned to eliminate duplicates Z: 109 92.317 2.521 1.073 0.530 0.926 0.694 CB 1.783 109 residues pruned to eliminate duplicates Z: 38 43.431 2.455 0.916 0.401 0.946 0.676 CB 1.780 38 residues pruned to eliminate duplicates Z: 105 96.759 2.517 1.087 0.539 0.962 0.702 CB 1.808 105 residues pruned to eliminate duplicates Z: 108 84.356 2.452 1.032 0.499 0.953 0.579 CB 1.719 108 residues pruned to eliminate duplicates Z: 25 33.524 2.411 1.131 0.330 0.917 0.583 CA 1.752 25 residues pruned to eliminate duplicates Z: 38 53.055 2.527 1.223 0.394 0.919 0.568 CB 1.890 38 residues pruned to eliminate duplicates Z: 14 39.843 2.658 0.791 0.909 1.000 0.615 CB 1.648 14 residues pruned to eliminate duplicates Z: 11 14.218 2.077 0.651 0.783 0.800 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 40 44.386 2.392 1.169 0.391 0.897 0.641 CB 1.713 41 residues pruned to eliminate duplicates Z: 48 52.560 2.455 1.103 0.417 0.936 0.617 CB 1.730 50 residues pruned to eliminate duplicates Z: 110 91.542 2.505 1.046 0.513 0.945 0.642 CB 1.788 110 residues pruned to eliminate duplicates Z: 23 65.469 2.649 0.940 0.907 1.000 0.727 CB 1.930 23 residues pruned to eliminate duplicates Z: 23 54.075 2.625 0.646 0.925 1.000 0.909 CA 1.873 23 residues pruned to eliminate duplicates Z: 11 25.859 2.198 0.776 0.822 1.000 0.900 CB 1.584 11 residues pruned to eliminate duplicates Z: 13 24.770 2.144 1.085 0.698 0.833 0.667 CA 1.602 13 residues pruned to eliminate duplicates Z: 108 99.105 2.545 1.110 0.521 0.925 0.607 CB 1.889 108 residues pruned to eliminate duplicates Z: 24 59.046 2.579 0.825 0.929 1.000 0.913 CA 1.830 24 residues pruned to eliminate duplicates Z: 110 70.498 2.375 1.075 0.476 0.890 0.523 CB 1.577 116 residues pruned to eliminate duplicates Z: 108 92.058 2.543 1.012 0.526 0.953 0.664 CB 1.778 108 residues pruned to eliminate duplicates Z: 13 39.405 2.480 1.237 0.830 0.917 0.833 CA 1.683 13 residues pruned to eliminate duplicates Z: 23 61.515 2.664 0.869 0.936 0.955 0.818 CA 1.921 23 residues pruned to eliminate duplicates Z: 15 38.808 2.477 0.883 0.896 1.000 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 29 27.011 2.306 1.033 0.374 0.857 0.393 CB 1.453 29 residues pruned to eliminate duplicates Z: 12 34.090 2.318 0.981 0.812 1.000 0.727 CB 1.707 12 residues pruned to eliminate duplicates Z: 14 11.670 2.035 0.803 0.302 0.769 0.308 CA 1.430 14 residues pruned to eliminate duplicates Z: 113 77.042 2.544 1.044 0.460 0.893 0.571 CB 1.634 113 residues pruned to eliminate duplicates Z: 48 54.462 2.512 1.107 0.411 0.915 0.596 CB 1.801 48 residues pruned to eliminate duplicates Z: 181 102.897 2.519 1.006 0.512 0.889 0.639 CB 1.688 181 residues pruned to eliminate duplicates Z: 81 88.240 2.521 1.107 0.579 0.975 0.700 CB 1.767 81 residues pruned to eliminate duplicates Z: 64 38.059 2.238 0.934 0.405 0.889 0.571 CB 1.377 64 residues pruned to eliminate duplicates Z: 13 25.148 2.279 0.686 0.748 0.917 0.583 CA 1.652 13 residues pruned to eliminate duplicates Z: 107 90.553 2.535 1.038 0.521 0.934 0.660 CB 1.785 107 residues pruned to eliminate duplicates Z: 29 35.849 2.387 1.222 0.542 0.857 0.571 CB 1.430 29 residues pruned to eliminate duplicates Z: 69 86.786 2.593 1.014 0.592 0.971 0.662 CB 1.901 69 residues pruned to eliminate duplicates Z: 108 87.088 2.516 1.019 0.515 0.935 0.720 CB 1.746 108 residues pruned to eliminate duplicates Z: 11 22.757 2.131 0.781 0.865 1.000 0.800 CA 1.389 11 residues pruned to eliminate duplicates Z: 108 100.540 2.571 1.117 0.522 0.935 0.636 CB 1.869 108 residues pruned to eliminate duplicates Z: 11 16.987 2.169 0.424 0.858 1.000 0.800 CB 1.281 11 residues pruned to eliminate duplicates Z: 22 78.882 2.721 1.137 0.933 1.000 0.476 CA 2.066 22 residues pruned to eliminate duplicates Z: 67 86.826 2.604 1.050 0.599 0.955 0.621 CB 1.909 67 residues pruned to eliminate duplicates Z: 83 86.973 2.515 1.076 0.559 0.927 0.585 CB 1.874 83 residues pruned to eliminate duplicates Z: 11 26.892 2.154 0.800 0.851 1.000 1.000 CB 1.623 11 residues pruned to eliminate duplicates Z: 12 22.888 2.086 0.863 0.832 0.909 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 49 53.222 2.529 1.006 0.566 0.833 0.646 CB 1.705 50 residues pruned to eliminate duplicates Z: 11 20.653 2.155 0.674 0.807 1.000 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 70 72.647 2.555 0.872 0.570 0.942 0.725 CB 1.814 70 residues pruned to eliminate duplicates Z: 69 87.836 2.575 1.115 0.589 0.985 0.735 CB 1.822 69 residues pruned to eliminate duplicates Z: 7 16.468 2.414 0.346 0.884 1.000 1.000 CA 1.494 7 residues pruned to eliminate duplicates Z: 69 75.996 2.566 0.877 0.574 0.971 0.676 CB 1.836 69 residues pruned to eliminate duplicates Z: 18 42.323 2.637 0.637 0.876 0.941 0.882 CA 1.836 18 residues pruned to eliminate duplicates Z: 108 89.296 2.504 1.057 0.511 0.944 0.664 CB 1.757 108 residues pruned to eliminate duplicates Z: 20 50.282 2.680 1.390 0.677 0.947 0.579 CB 1.616 20 residues pruned to eliminate duplicates Z: 11 22.275 2.147 0.848 0.835 1.000 0.800 CB 1.330 11 residues pruned to eliminate duplicates Z: 60 84.243 2.611 1.197 0.642 0.915 0.661 CB 1.829 60 residues pruned to eliminate duplicates Z: 40 53.449 2.484 1.264 0.419 0.897 0.538 CB 1.845 40 residues pruned to eliminate duplicates Z: 108 100.437 2.551 1.046 0.529 0.953 0.626 CB 1.896 108 residues pruned to eliminate duplicates Z: 25 32.905 2.519 1.105 0.560 0.833 0.417 CB 1.434 25 residues pruned to eliminate duplicates Z: 20 17.833 2.198 1.157 0.301 0.842 0.632 CB 1.280 20 residues pruned to eliminate duplicates Z: 7 8.880 1.882 0.453 0.809 0.833 0.833 CA 1.215 7 residues pruned to eliminate duplicates Z: 29 47.486 2.677 0.950 0.577 0.857 0.679 CB 1.862 29 residues pruned to eliminate duplicates Z: 23 74.870 2.614 1.192 0.938 1.000 0.818 CB 1.937 23 residues pruned to eliminate duplicates Z: 51 50.682 2.436 0.960 0.395 0.920 0.620 CB 1.822 51 residues pruned to eliminate duplicates Z: 62 54.697 2.480 1.149 0.437 0.902 0.607 CB 1.555 62 residues pruned to eliminate duplicates Z: 70 91.250 2.577 1.115 0.600 0.971 0.652 CB 1.886 70 residues pruned to eliminate duplicates Z: 49 44.991 2.371 0.991 0.405 0.896 0.542 CB 1.697 49 residues pruned to eliminate duplicates Z: 52 47.757 2.494 0.829 0.526 0.941 0.647 CB 1.519 52 residues pruned to eliminate duplicates Z: 11 23.996 2.184 0.525 0.840 1.000 0.900 CB 1.700 11 residues pruned to eliminate duplicates Z: 49 44.445 2.437 0.959 0.394 0.854 0.604 CB 1.760 49 residues pruned to eliminate duplicates Z: 114 83.272 2.499 0.980 0.495 0.929 0.690 CB 1.712 114 residues pruned to eliminate duplicates Z: 108 90.218 2.522 0.998 0.519 0.944 0.673 CB 1.800 108 residues pruned to eliminate duplicates Z: 29 26.955 2.086 0.794 0.490 0.964 0.607 CB 1.425 29 residues pruned to eliminate duplicates Z: 13 27.002 2.270 0.921 0.768 0.833 0.583 CB 1.692 13 residues pruned to eliminate duplicates Z: 14 39.208 2.549 1.188 0.794 0.846 0.462 CA 1.780 14 residues pruned to eliminate duplicates Z: 70 85.075 2.566 1.123 0.586 0.971 0.681 CB 1.783 70 residues pruned to eliminate duplicates Z: 115 94.918 2.506 1.042 0.549 0.947 0.649 CB 1.748 115 residues pruned to eliminate duplicates Z: 77 61.028 2.416 1.050 0.450 0.855 0.592 CB 1.741 77 residues pruned to eliminate duplicates Z: 22 73.254 2.711 1.111 0.932 1.000 0.857 CA 1.951 22 residues pruned to eliminate duplicates Z: 35 44.112 2.443 1.228 0.493 0.882 0.559 CB 1.586 35 residues pruned to eliminate duplicates Z: 100 84.937 2.491 1.059 0.505 0.939 0.606 CB 1.763 100 residues pruned to eliminate duplicates Z: 24 35.687 2.449 1.132 0.364 0.870 0.522 CA 1.896 24 residues pruned to eliminate duplicates Z: 108 90.681 2.523 1.041 0.511 0.953 0.673 CB 1.767 108 residues pruned to eliminate duplicates Z: 40 52.572 2.486 1.171 0.410 0.923 0.615 CB 1.857 40 residues pruned to eliminate duplicates Z: 107 83.902 2.510 0.984 0.510 0.925 0.604 CB 1.752 107 residues pruned to eliminate duplicates Z: 36 36.109 2.244 1.061 0.508 0.914 0.571 CB 1.432 36 residues pruned to eliminate duplicates Z: 108 89.514 2.502 1.059 0.510 0.925 0.701 CB 1.798 108 residues pruned to eliminate duplicates Z: 11 32.673 2.207 1.073 0.834 1.000 0.900 CB 1.693 11 residues pruned to eliminate duplicates Z: 128 113.332 2.580 1.163 0.539 0.937 0.693 CB 1.851 128 residues pruned to eliminate duplicates Z: 106 109.068 2.569 1.223 0.536 0.943 0.657 CB 1.908 106 residues pruned to eliminate duplicates Z: 56 37.074 2.243 1.010 0.418 0.891 0.527 CB 1.356 56 residues pruned to eliminate duplicates Z: 69 85.764 2.568 1.065 0.596 0.956 0.647 CB 1.873 69 residues pruned to eliminate duplicates Z: 16 24.458 2.313 1.188 0.479 0.800 0.733 CB 1.593 16 residues pruned to eliminate duplicates Z: 20 50.732 2.693 1.379 0.691 0.947 0.526 CB 1.611 20 residues pruned to eliminate duplicates Z: 25 41.939 2.580 1.016 0.557 0.917 0.583 CB 1.699 25 residues pruned to eliminate duplicates Z: 11 21.928 2.119 0.723 0.800 1.000 0.600 CB 1.461 11 residues pruned to eliminate duplicates Z: 51 39.250 2.241 1.045 0.465 0.860 0.540 CB 1.459 51 residues pruned to eliminate duplicates Z: 10 31.752 2.321 1.102 0.897 1.000 0.667 CB 1.553 10 residues pruned to eliminate duplicates Z: 65 87.640 2.578 0.975 0.623 0.984 0.797 CB 1.945 65 residues pruned to eliminate duplicates Z: 7 12.367 2.025 0.927 0.467 0.833 0.667 CB 1.606 7 residues pruned to eliminate duplicates Z: 50 50.481 2.420 1.178 0.394 0.918 0.592 CB 1.667 50 residues pruned to eliminate duplicates Z: 9 6.272 1.797 0.284 0.224 1.000 0.500 CB 1.327 9 residues pruned to eliminate duplicates Z: 40 48.615 2.441 1.185 0.416 0.897 0.590 CB 1.775 40 residues pruned to eliminate duplicates Z: 14 24.589 2.085 0.923 0.787 0.923 0.538 CA 1.432 14 residues pruned to eliminate duplicates Z: 14 20.031 2.092 1.128 0.478 0.923 0.615 CB 1.382 14 residues pruned to eliminate duplicates Z: 82 79.467 2.506 1.041 0.543 0.938 0.667 CB 1.764 82 residues pruned to eliminate duplicates Z: 13 29.358 2.201 1.209 0.724 0.917 0.500 CA 1.554 13 residues pruned to eliminate duplicates Z: 21 14.146 2.179 1.069 0.301 0.650 0.500 CB 1.348 21 residues pruned to eliminate duplicates Z: 107 85.760 2.529 0.941 0.517 0.953 0.736 CB 1.750 107 residues pruned to eliminate duplicates Z: 8 12.195 2.183 1.130 0.561 0.857 0.714 CB 1.091 8 residues pruned to eliminate duplicates Z: 51 44.888 2.359 0.935 0.451 0.880 0.680 CB 1.662 51 residues pruned to eliminate duplicates Z: 82 81.314 2.488 1.125 0.559 0.938 0.617 CB 1.720 82 residues pruned to eliminate duplicates Z: 49 58.598 2.516 1.096 0.409 0.917 0.604 CB 1.926 49 residues pruned to eliminate duplicates Z: 26 40.296 2.473 0.804 0.503 1.000 0.640 CB 1.801 26 residues pruned to eliminate duplicates Z: 11 24.536 2.104 0.901 0.821 1.000 0.600 CB 1.468 11 residues pruned to eliminate duplicates Z: 108 100.019 2.543 1.098 0.533 0.953 0.626 CB 1.840 108 residues pruned to eliminate duplicates Z: 47 42.663 2.332 0.992 0.403 0.913 0.609 CB 1.642 47 residues pruned to eliminate duplicates Z: 13 44.348 2.676 0.856 0.894 1.000 0.917 CA 1.849 13 residues pruned to eliminate duplicates Z: 80 59.541 2.537 0.917 0.443 0.886 0.582 CB 1.648 80 residues pruned to eliminate duplicates Z: 56 52.146 2.467 0.998 0.476 0.891 0.564 CB 1.641 56 residues pruned to eliminate duplicates Z: 66 76.458 2.505 1.022 0.576 0.954 0.662 CB 1.823 66 residues pruned to eliminate duplicates Z: 43 56.849 2.595 1.019 0.561 0.905 0.667 CB 1.744 43 residues pruned to eliminate duplicates Z: 63 83.008 2.572 1.023 0.613 0.968 0.742 CB 1.882 63 residues pruned to eliminate duplicates Z: 10 18.508 2.235 0.584 0.787 0.889 0.667 CA 1.524 10 residues pruned to eliminate duplicates Z: 99 91.542 2.514 1.069 0.545 0.939 0.653 CB 1.812 99 residues pruned to eliminate duplicates Z: 49 50.849 2.468 1.181 0.404 0.854 0.625 CB 1.766 51 residues pruned to eliminate duplicates Z: 15 45.889 2.451 1.319 0.855 1.000 0.786 CA 1.593 15 residues pruned to eliminate duplicates Z: 71 83.225 2.561 1.066 0.593 0.929 0.686 CB 1.852 71 residues pruned to eliminate duplicates Z: 78 61.956 2.521 1.076 0.467 0.844 0.584 CB 1.652 78 residues pruned to eliminate duplicates Z: 12 27.998 2.402 0.805 0.785 0.909 0.727 CA 1.667 12 residues pruned to eliminate duplicates Z: 33 42.525 2.412 0.881 0.485 0.969 0.594 CB 1.735 33 residues pruned to eliminate duplicates Z: 6 6.419 1.847 0.469 0.397 0.800 0.600 CA 1.475 6 residues pruned to eliminate duplicates Z: 24 34.424 2.345 1.181 0.375 0.913 0.652 CB 1.757 24 residues pruned to eliminate duplicates Z: 13 8.569 2.078 0.371 0.399 0.667 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 12.103 1.842 0.307 0.682 0.889 0.444 O 1.596 10 residues pruned to eliminate duplicates Z: 12 25.036 1.998 0.913 0.806 1.000 0.818 CB 1.513 12 residues pruned to eliminate duplicates Z: 49 52.135 2.484 0.980 0.538 0.917 0.667 CB 1.608 49 residues pruned to eliminate duplicates Z: 23 22.674 2.520 1.109 0.316 0.773 0.409 CB 1.441 23 residues pruned to eliminate duplicates Z: 35 36.530 2.308 1.178 0.409 0.853 0.588 CB 1.608 14 residues pruned to eliminate duplicates Z: 33 41.825 2.557 0.890 0.506 0.875 0.625 CB 1.739 33 residues pruned to eliminate duplicates Z: 43 52.063 2.510 1.054 0.563 0.881 0.548 CB 1.664 43 residues pruned to eliminate duplicates Z: 11 18.428 2.290 0.812 0.465 0.900 0.600 CB 1.617 11 residues pruned to eliminate duplicates Z: 15 32.151 2.430 1.172 0.466 0.929 0.857 CB 1.816 15 residues pruned to eliminate duplicates Z: 19 16.562 2.344 0.723 0.302 0.778 0.500 CB 1.551 19 residues pruned to eliminate duplicates Z: 26 46.264 2.668 1.253 0.574 0.880 0.640 CB 1.630 26 residues pruned to eliminate duplicates Z: 10 14.534 1.837 0.497 0.825 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 11 29.864 2.175 0.971 0.828 1.000 0.700 CB 1.659 11 residues pruned to eliminate duplicates Z: 8 12.906 2.094 0.255 0.743 1.000 0.571 CB 1.494 8 residues pruned to eliminate duplicates Z: 6 5.558 1.864 -0.065 0.692 1.000 0.400 CB 1.196 6 residues pruned to eliminate duplicates Z: 10 14.493 1.844 0.667 0.730 0.889 0.556 CB 1.437 10 residues pruned to eliminate duplicates Z: 79 52.650 2.408 0.995 0.457 0.846 0.538 CB 1.532 79 residues pruned to eliminate duplicates Z: 46 34.167 2.182 0.889 0.472 0.911 0.489 CB 1.395 46 residues pruned to eliminate duplicates Z: 13 10.792 2.117 0.664 0.398 0.833 0.583 CB 1.182 13 residues pruned to eliminate duplicates Z: 69 58.791 2.426 1.021 0.438 0.897 0.574 CB 1.728 69 residues pruned to eliminate duplicates Z: 90 84.885 2.481 1.066 0.551 0.933 0.753 CB 1.791 90 residues pruned to eliminate duplicates Z: 24 25.237 2.178 0.775 0.503 0.913 0.696 CA 1.486 24 residues pruned to eliminate duplicates Z: 10 17.032 1.887 0.735 0.793 0.889 0.778 CB 1.509 10 residues pruned to eliminate duplicates Z: 23 62.641 2.645 0.938 0.884 0.955 0.864 CA 1.971 23 residues pruned to eliminate duplicates Z: 82 84.934 2.494 1.015 0.554 0.975 0.716 CB 1.827 82 residues pruned to eliminate duplicates Z: 24 24.598 2.282 0.724 0.407 0.913 0.565 CB 1.574 24 residues pruned to eliminate duplicates Z: 19 33.259 2.443 1.043 0.482 1.000 0.611 CB 1.599 19 residues pruned to eliminate duplicates Z: 17 8.264 2.080 0.499 0.250 0.688 0.312 CB 1.285 17 residues pruned to eliminate duplicates Z: 71 89.853 2.543 1.165 0.572 0.957 0.643 CB 1.901 71 residues pruned to eliminate duplicates Z: 38 41.224 2.356 1.233 0.497 0.892 0.486 CB 1.448 38 residues pruned to eliminate duplicates Z: 9 23.592 2.185 0.778 0.902 0.875 0.875 CB 1.750 9 residues pruned to eliminate duplicates Z: 49 63.361 2.628 1.053 0.560 0.875 0.646 CB 1.828 49 residues pruned to eliminate duplicates Z: 12 18.716 1.938 0.703 0.731 1.000 0.727 CB 1.389 12 residues pruned to eliminate duplicates Z: 11 25.936 2.255 1.157 0.551 0.900 0.800 CB 1.783 11 residues pruned to eliminate duplicates Z: 7 16.211 2.479 1.037 0.560 0.833 0.667 CB 1.483 7 residues pruned to eliminate duplicates Z: 67 69.415 2.495 1.152 0.456 0.939 0.636 CB 1.771 67 residues pruned to eliminate duplicates Z: 16 25.628 2.419 0.934 0.412 0.933 0.667 CB 1.662 16 residues pruned to eliminate duplicates Z: 6 3.680 1.925 0.603 0.297 0.800 0.600 CB 0.836 Z: 22 11.962 2.210 0.792 0.282 0.667 0.429 CB 1.264 22 residues pruned to eliminate duplicates Z: 99 99.372 2.548 1.134 0.541 0.918 0.673 CB 1.930 99 residues pruned to eliminate duplicates Z: 43 71.930 2.626 1.031 0.668 0.952 0.643 CB 1.871 43 residues pruned to eliminate duplicates Z: 11 19.252 2.109 0.912 0.786 0.800 0.600 CB 1.467 11 residues pruned to eliminate duplicates Z: 6 5.948 1.853 0.334 0.435 0.800 0.800 N 1.440 Z: 111 76.285 2.531 1.059 0.476 0.882 0.573 CB 1.622 111 residues pruned to eliminate duplicates Z: 73 80.339 2.536 1.047 0.563 0.917 0.653 CB 1.871 73 residues pruned to eliminate duplicates Z: 38 27.646 2.328 1.034 0.333 0.757 0.459 CB 1.522 38 residues pruned to eliminate duplicates Z: 8 5.455 1.924 0.489 0.350 0.571 0.429 CA 1.481 8 residues pruned to eliminate duplicates Z: 37 44.674 2.408 1.206 0.564 0.917 0.667 CB 1.437 36 residues pruned to eliminate duplicates Z: 25 33.407 2.433 1.003 0.292 0.917 0.542 CA 1.927 25 residues pruned to eliminate duplicates Z: 22 24.593 2.389 1.160 0.398 0.810 0.524 CB 1.430 22 residues pruned to eliminate duplicates Z: 43 84.752 2.639 1.268 0.673 0.952 0.714 CA 1.956 43 residues pruned to eliminate duplicates Z: 24 36.013 2.398 1.196 0.543 0.913 0.565 CB 1.497 24 residues pruned to eliminate duplicates Z: 21 27.056 2.485 0.985 0.371 0.850 0.550 CB 1.657 21 residues pruned to eliminate duplicates Z: 26 25.326 2.146 0.787 0.527 0.840 0.600 CB 1.530 26 residues pruned to eliminate duplicates Z: 39 30.602 2.285 0.922 0.437 0.816 0.579 CB 1.479 39 residues pruned to eliminate duplicates Z: 108 89.124 2.474 1.052 0.530 0.944 0.682 CB 1.745 108 residues pruned to eliminate duplicates Z: 57 44.055 2.425 1.067 0.405 0.875 0.482 CB 1.483 57 residues pruned to eliminate duplicates Z: 15 28.294 2.264 1.350 0.524 0.857 0.643 CB 1.619 15 residues pruned to eliminate duplicates Z: 12 14.074 1.962 0.805 0.424 1.000 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 36 38.839 2.388 1.075 0.399 0.886 0.486 CB 1.664 36 residues pruned to eliminate duplicates Z: 73 76.050 2.467 0.942 0.593 0.958 0.708 CB 1.787 73 residues pruned to eliminate duplicates Z: 6 11.917 2.112 1.451 0.297 0.800 0.400 CB 1.614 6 residues pruned to eliminate duplicates Z: 6 4.371 1.778 0.245 0.444 0.800 0.400 CB 1.169 Z: 14 23.272 2.107 0.764 0.739 1.000 0.692 CB 1.402 14 residues pruned to eliminate duplicates Z: 26 29.568 2.324 0.691 0.519 0.920 0.680 CB 1.605 26 residues pruned to eliminate duplicates Z: 10 21.662 2.138 1.360 0.875 0.889 0.778 CB 1.170 10 residues pruned to eliminate duplicates Z: 22 33.844 2.274 1.253 0.470 0.857 0.524 CB 1.733 24 residues pruned to eliminate duplicates Z: 22 31.654 2.335 0.847 0.426 0.905 0.476 CB 1.912 22 residues pruned to eliminate duplicates Z: 29 41.087 2.402 0.935 0.542 0.929 0.714 CB 1.727 29 residues pruned to eliminate duplicates Z: 14 12.379 2.105 0.920 0.331 0.769 0.462 CB 1.329 14 residues pruned to eliminate duplicates Z: 10 14.306 1.807 0.748 0.725 0.889 0.444 CA 1.386 10 residues pruned to eliminate duplicates Z: 52 52.362 2.474 0.914 0.552 0.902 0.608 CB 1.632 52 residues pruned to eliminate duplicates 6 0.828 1.694 -0.356 0.427 0.800 0.600 CB 0.457 ? Z: 46 60.188 2.617 1.145 0.566 0.889 0.667 CB 1.687 46 residues pruned to eliminate duplicates Z: 66 36.051 2.193 0.898 0.405 0.862 0.446 CB 1.378 66 residues pruned to eliminate duplicates Z: 10 10.381 1.706 0.355 0.732 0.889 0.556 CB 1.367 10 residues pruned to eliminate duplicates Z: 53 79.164 2.550 1.004 0.628 0.981 0.769 CA 1.943 53 residues pruned to eliminate duplicates Z: 14 53.639 2.702 1.438 0.844 0.923 0.615 CB 1.820 14 residues pruned to eliminate duplicates Z: 35 44.669 2.400 1.195 0.537 0.912 0.559 CB 1.538 35 residues pruned to eliminate duplicates Z: 39 34.014 2.312 0.951 0.409 0.921 0.421 CB 1.460 39 residues pruned to eliminate duplicates Z: 39 38.721 2.504 0.857 0.440 0.868 0.737 CB 1.654 39 residues pruned to eliminate duplicates Z: 34 42.532 2.417 1.094 0.421 0.879 0.515 CB 1.807 34 residues pruned to eliminate duplicates Z: 81 72.334 2.454 0.919 0.518 0.950 0.700 CB 1.775 81 residues pruned to eliminate duplicates Z: 10 11.825 1.838 0.439 0.781 0.889 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 109 89.543 2.508 1.007 0.524 0.963 0.676 CB 1.735 109 residues pruned to eliminate duplicates Z: 52 69.027 2.481 0.983 0.577 0.980 0.765 CB 1.861 52 residues pruned to eliminate duplicates Z: 58 68.747 2.547 0.916 0.582 0.965 0.702 CB 1.787 58 residues pruned to eliminate duplicates Z: 14 19.473 2.235 0.944 0.404 0.923 0.385 CB 1.491 14 residues pruned to eliminate duplicates Z: 21 35.315 2.297 1.068 0.483 1.000 0.700 CB 1.691 21 residues pruned to eliminate duplicates Z: 60 38.086 2.273 0.888 0.433 0.881 0.475 CB 1.405 60 residues pruned to eliminate duplicates Z: 11 38.523 2.381 1.316 0.858 1.000 0.700 CB 1.627 11 residues pruned to eliminate duplicates Z: 13 21.083 2.191 0.646 0.776 0.917 0.833 CA 1.443 13 residues pruned to eliminate duplicates Z: 37 50.839 2.457 1.164 0.432 0.944 0.639 CB 1.810 37 residues pruned to eliminate duplicates Z: 33 41.920 2.424 1.007 0.407 0.875 0.531 CB 1.919 33 residues pruned to eliminate duplicates Z: 91 72.065 2.423 1.015 0.448 0.933 0.622 CB 1.758 91 residues pruned to eliminate duplicates Z: 10 6.467 1.454 0.424 0.553 0.889 0.444 CA 1.112 Z: 107 89.076 2.514 0.949 0.518 0.962 0.679 CB 1.803 107 residues pruned to eliminate duplicates Z: 38 54.831 2.472 0.971 0.530 0.973 0.730 CB 1.846 38 residues pruned to eliminate duplicates Z: 6 5.337 1.716 0.018 0.734 1.000 0.400 CA 1.107 6 residues pruned to eliminate duplicates Z: 27 21.060 2.178 0.916 0.310 0.808 0.500 CB 1.513 27 residues pruned to eliminate duplicates Z: 40 25.336 2.103 0.814 0.429 0.872 0.385 CB 1.313 40 residues pruned to eliminate duplicates Z: 18 34.025 2.496 1.032 0.574 0.941 0.471 CB 1.609 18 residues pruned to eliminate duplicates Z: 7 4.195 1.492 0.426 0.562 0.833 0.333 O 0.910 Z: 9 3.785 1.675 0.406 0.304 0.625 0.375 CB 1.130 Z: 61 84.966 2.535 1.190 0.617 0.950 0.700 CB 1.863 61 residues pruned to eliminate duplicates Z: 87 91.024 2.534 1.052 0.578 0.930 0.709 CB 1.884 87 residues pruned to eliminate duplicates Z: 83 74.178 2.451 1.063 0.476 0.963 0.585 CB 1.723 83 residues pruned to eliminate duplicates Z: 24 38.852 2.474 0.894 0.636 0.913 0.609 CB 1.666 24 residues pruned to eliminate duplicates Z: 9 10.114 2.220 0.349 0.388 1.000 0.625 CB 1.344 9 residues pruned to eliminate duplicates Z: 51 40.082 2.253 0.976 0.442 0.920 0.440 CB 1.469 51 residues pruned to eliminate duplicates Z: 63 49.759 2.546 0.832 0.487 0.839 0.581 CB 1.636 63 residues pruned to eliminate duplicates Z: 25 35.669 2.264 1.155 0.549 0.917 0.542 CB 1.552 25 residues pruned to eliminate duplicates Z: 25 37.211 2.435 1.038 0.564 0.958 0.542 CB 1.502 25 residues pruned to eliminate duplicates Z: 26 33.781 2.379 1.084 0.535 0.880 0.560 CB 1.496 26 residues pruned to eliminate duplicates Z: 11 4.819 1.894 0.439 0.415 0.900 0.300 CB 0.678 Z: 27 48.704 2.619 1.074 0.629 0.923 0.731 CB 1.687 27 residues pruned to eliminate duplicates Z: 13 9.975 2.048 0.671 0.374 0.750 0.500 CB 1.283 13 residues pruned to eliminate duplicates Z: 39 30.904 2.132 0.849 0.479 0.921 0.553 CB 1.410 39 residues pruned to eliminate duplicates Z: 19 33.522 2.519 1.131 0.383 0.944 0.722 CB 1.767 19 residues pruned to eliminate duplicates Z: 30 42.047 2.408 1.180 0.388 0.931 0.690 CB 1.800 30 residues pruned to eliminate duplicates Z: 6 6.189 1.641 0.259 0.667 1.000 0.600 CA 1.148 6 residues pruned to eliminate duplicates Z: 39 48.491 2.478 1.104 0.403 0.895 0.605 CB 1.866 39 residues pruned to eliminate duplicates Z: 11 24.882 2.007 1.081 0.872 1.000 0.900 CA 1.373 11 residues pruned to eliminate duplicates Z: 22 55.706 2.657 0.698 0.914 1.000 0.714 CB 1.905 22 residues pruned to eliminate duplicates Z: 8 9.290 1.827 0.597 0.746 0.857 0.429 CB 1.127 8 residues pruned to eliminate duplicates Z: 22 60.141 2.695 0.734 0.935 1.000 0.905 CB 1.957 22 residues pruned to eliminate duplicates Z: 59 48.954 2.435 1.129 0.405 0.879 0.483 CB 1.558 59 residues pruned to eliminate duplicates Z: 39 43.462 2.414 0.838 0.507 0.921 0.605 CB 1.714 39 residues pruned to eliminate duplicates Z: 66 77.071 2.519 1.033 0.579 0.938 0.708 CB 1.845 66 residues pruned to eliminate duplicates Z: 11 4.313 1.618 0.367 0.275 0.700 0.300 N 1.136 Z: 19 19.426 2.167 0.811 0.432 0.889 0.667 CB 1.408 28 residues pruned to eliminate duplicates Z: 43 54.221 2.606 0.874 0.553 0.929 0.619 CB 1.752 43 residues pruned to eliminate duplicates Z: 23 25.304 2.236 0.946 0.435 0.864 0.545 CB 1.535 23 residues pruned to eliminate duplicates Z: 14 25.326 2.440 0.945 0.424 0.923 0.538 CB 1.735 14 residues pruned to eliminate duplicates Z: 96 85.408 2.468 1.021 0.538 0.947 0.663 CB 1.787 96 residues pruned to eliminate duplicates Z: 117 69.058 2.361 0.975 0.434 0.897 0.655 CB 1.642 117 residues pruned to eliminate duplicates Z: 37 25.933 2.232 0.846 0.372 0.833 0.528 CB 1.443 37 residues pruned to eliminate duplicates Z: 12 26.580 2.074 1.417 0.817 0.909 0.545 CA 1.335 12 residues pruned to eliminate duplicates Z: 29 23.339 2.205 0.752 0.357 0.893 0.464 CB 1.493 29 residues pruned to eliminate duplicates Z: 63 41.791 2.347 0.916 0.403 0.839 0.565 CB 1.558 63 residues pruned to eliminate duplicates Z: 16 12.329 2.120 0.544 0.344 0.867 0.533 CB 1.330 16 residues pruned to eliminate duplicates Z: 40 37.732 2.319 1.079 0.370 0.872 0.615 CB 1.653 40 residues pruned to eliminate duplicates Z: 49 74.536 2.553 1.193 0.614 0.917 0.646 CB 1.882 49 residues pruned to eliminate duplicates Z: 58 74.486 2.484 0.975 0.596 0.982 0.667 CB 1.868 58 residues pruned to eliminate duplicates Z: 16 35.356 2.290 0.932 0.877 1.000 0.800 CA 1.498 16 residues pruned to eliminate duplicates Z: 6 11.477 2.034 0.254 0.764 1.000 0.600 CB 1.592 6 residues pruned to eliminate duplicates Z: 14 10.162 2.126 0.656 0.240 0.846 0.462 CB 1.279 14 residues pruned to eliminate duplicates Z: 46 47.842 2.436 1.108 0.410 0.867 0.556 CB 1.760 46 residues pruned to eliminate duplicates Z: 23 67.469 2.597 1.140 0.921 0.955 0.682 CB 1.909 23 residues pruned to eliminate duplicates Z: 15 27.388 2.317 0.886 0.510 0.929 0.643 CA 1.786 15 residues pruned to eliminate duplicates Z: 30 22.105 2.314 0.586 0.379 0.793 0.483 CB 1.605 30 residues pruned to eliminate duplicates Z: 21 25.413 2.289 0.931 0.475 0.900 0.600 CB 1.466 21 residues pruned to eliminate duplicates Z: 21 36.160 2.568 1.178 0.387 0.900 0.600 CB 1.811 21 residues pruned to eliminate duplicates Z: 6 4.043 2.055 0.161 0.171 0.800 0.400 CA 1.413 Z: 61 52.330 2.363 1.002 0.408 0.933 0.567 CB 1.685 61 residues pruned to eliminate duplicates Z: 54 53.323 2.467 1.006 0.521 0.868 0.642 CB 1.670 54 residues pruned to eliminate duplicates Z: 10 7.067 1.914 0.385 0.260 0.889 0.556 CB 1.316 10 residues pruned to eliminate duplicates Z: 24 32.039 2.081 1.421 0.443 0.957 0.565 CB 1.470 24 residues pruned to eliminate duplicates Z: 20 31.803 2.341 1.094 0.457 0.947 0.684 CB 1.643 20 residues pruned to eliminate duplicates Z: 94 94.616 2.479 1.076 0.551 0.957 0.634 CB 1.896 94 residues pruned to eliminate duplicates Z: 49 53.073 2.387 0.881 0.533 0.979 0.792 CB 1.687 49 residues pruned to eliminate duplicates Z: 23 30.797 2.291 0.935 0.436 0.955 0.682 CB 1.658 23 residues pruned to eliminate duplicates Z: 83 68.644 2.403 1.020 0.459 0.951 0.634 CB 1.711 83 residues pruned to eliminate duplicates Z: 15 22.431 2.492 0.724 0.409 0.929 0.714 CB 1.654 14 residues pruned to eliminate duplicates Z: 67 76.634 2.562 1.039 0.553 0.939 0.652 CB 1.826 67 residues pruned to eliminate duplicates Z: 77 71.422 2.447 0.925 0.550 0.947 0.737 CB 1.747 77 residues pruned to eliminate duplicates Z: 87 85.020 2.479 1.150 0.494 0.953 0.663 CB 1.815 87 residues pruned to eliminate duplicates Z: 70 84.139 2.528 1.154 0.585 0.913 0.696 CB 1.878 70 residues pruned to eliminate duplicates Z: 11 10.007 2.226 1.099 0.332 0.700 0.400 CB 1.164 11 residues pruned to eliminate duplicates Z: 9 18.423 2.052 0.888 0.789 0.875 0.750 CA 1.490 9 residues pruned to eliminate duplicates Z: 24 26.129 2.276 0.616 0.463 0.913 0.522 CB 1.685 24 residues pruned to eliminate duplicates Z: 6 4.486 1.601 0.402 0.530 0.800 0.800 CB 1.085 Z: 11 20.125 2.232 0.894 0.484 1.000 0.600 CB 1.530 11 residues pruned to eliminate duplicates Z: 79 79.963 2.482 0.915 0.557 0.974 0.654 CB 1.849 79 residues pruned to eliminate duplicates Z: 131 92.348 2.480 1.033 0.538 0.908 0.646 CB 1.706 131 residues pruned to eliminate duplicates Z: 58 52.070 2.455 0.920 0.518 0.877 0.632 CB 1.638 58 residues pruned to eliminate duplicates Z: 68 88.184 2.566 1.077 0.604 0.970 0.701 CB 1.886 68 residues pruned to eliminate duplicates Z: 7 10.780 2.102 0.603 0.756 0.833 0.333 CB 1.248 7 residues pruned to eliminate duplicates Z: 27 33.446 2.415 1.013 0.377 0.923 0.538 CB 1.667 27 residues pruned to eliminate duplicates Z: 105 87.818 2.512 1.065 0.528 0.923 0.654 CB 1.749 105 residues pruned to eliminate duplicates Z: 108 90.331 2.523 1.050 0.517 0.935 0.729 CB 1.776 108 residues pruned to eliminate duplicates Z: 28 22.194 2.229 0.946 0.337 0.852 0.519 CB 1.380 28 residues pruned to eliminate duplicates Z: 79 44.663 2.321 0.936 0.403 0.833 0.526 CB 1.496 79 residues pruned to eliminate duplicates Z: 61 70.188 2.528 0.970 0.614 0.933 0.650 CB 1.749 61 residues pruned to eliminate duplicates Z: 53 41.207 2.366 1.090 0.424 0.865 0.500 CB 1.446 53 residues pruned to eliminate duplicates Z: 8 10.454 1.836 0.864 0.453 0.857 0.571 O 1.415 8 residues pruned to eliminate duplicates Z: 23 35.270 2.350 1.063 0.485 0.955 0.636 CB 1.650 23 residues pruned to eliminate duplicates Z: 114 95.543 2.504 1.059 0.565 0.947 0.673 CB 1.728 114 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 108 90.392 2.504 1.005 0.501 0.963 0.701 CB 1.806 108 residues pruned to eliminate duplicates Z: 110 88.188 2.508 1.031 0.501 0.945 0.688 CB 1.753 110 residues pruned to eliminate duplicates Z: 106 90.539 2.523 1.074 0.514 0.943 0.695 CB 1.766 106 residues pruned to eliminate duplicates Z: 109 88.169 2.514 1.042 0.510 0.926 0.648 CB 1.767 109 residues pruned to eliminate duplicates Z: 50 53.033 2.418 1.189 0.377 0.939 0.612 CB 1.737 32 residues pruned to eliminate duplicates Z: 7 8.485 1.800 1.117 0.311 1.000 0.500 CA 1.121 7 residues pruned to eliminate duplicates Z: 28 35.086 2.458 0.928 0.391 0.889 0.481 CB 1.799 28 residues pruned to eliminate duplicates Z: 49 47.051 2.427 1.032 0.400 0.896 0.583 CB 1.707 49 residues pruned to eliminate duplicates Z: 109 94.122 2.513 1.048 0.520 0.954 0.713 CB 1.809 109 residues pruned to eliminate duplicates Z: 109 91.796 2.515 1.100 0.506 0.917 0.630 CB 1.813 109 residues pruned to eliminate duplicates Z: 50 48.475 2.407 1.092 0.380 0.918 0.551 CB 1.701 50 residues pruned to eliminate duplicates Z: 109 90.531 2.512 1.074 0.511 0.917 0.694 CB 1.804 109 residues pruned to eliminate duplicates Z: 49 51.488 2.454 1.139 0.403 0.938 0.604 CB 1.673 49 residues pruned to eliminate duplicates Z: 109 83.808 2.494 0.933 0.509 0.944 0.694 CB 1.756 109 residues pruned to eliminate duplicates Z: 49 48.947 2.421 1.120 0.399 0.896 0.542 CB 1.709 49 residues pruned to eliminate duplicates Z: 100 93.555 2.524 1.047 0.535 0.949 0.636 CB 1.853 101 residues pruned to eliminate duplicates Z: 8 7.387 1.739 0.511 0.471 0.857 0.571 CA 1.276 Z: 6 6.724 1.868 0.556 0.434 1.000 0.400 CB 1.107 4 residues pruned to eliminate duplicates Z: 6 7.828 2.004 1.003 0.429 0.600 0.600 C 1.564 16 residues pruned to eliminate duplicates Z: 51 47.629 2.431 1.117 0.381 0.900 0.580 CB 1.651 51 residues pruned to eliminate duplicates Z: 44 46.157 2.456 1.175 0.398 0.884 0.605 CB 1.660 44 residues pruned to eliminate duplicates Z: 107 91.798 2.538 1.074 0.510 0.934 0.660 CB 1.796 107 residues pruned to eliminate duplicates Z: 109 88.450 2.525 1.049 0.505 0.926 0.676 CB 1.768 109 residues pruned to eliminate duplicates Z: 109 84.762 2.513 1.015 0.504 0.935 0.657 CB 1.716 109 residues pruned to eliminate duplicates Z: 84 79.228 2.482 1.042 0.541 0.964 0.639 CB 1.710 84 residues pruned to eliminate duplicates Z: 50 47.634 2.408 1.141 0.392 0.898 0.612 CB 1.647 50 residues pruned to eliminate duplicates Z: 108 88.422 2.526 1.004 0.506 0.944 0.654 CB 1.777 108 residues pruned to eliminate duplicates Z: 110 90.893 2.509 1.052 0.508 0.936 0.679 CB 1.792 110 residues pruned to eliminate duplicates Z: 64 53.514 2.385 1.052 0.422 0.905 0.603 CB 1.652 64 residues pruned to eliminate duplicates Z: 23 34.553 2.279 1.054 0.493 1.000 0.727 CB 1.585 23 residues pruned to eliminate duplicates Z: 39 49.806 2.437 1.273 0.412 0.947 0.632 CB 1.688 39 residues pruned to eliminate duplicates Z: 23 34.004 2.249 1.168 0.474 0.955 0.682 CB 1.599 23 residues pruned to eliminate duplicates Z: 106 82.024 2.516 1.032 0.481 0.914 0.648 CB 1.746 106 residues pruned to eliminate duplicates Z: 111 87.478 2.486 1.090 0.499 0.927 0.718 CB 1.734 111 residues pruned to eliminate duplicates Z: 110 88.153 2.501 1.098 0.515 0.917 0.624 CB 1.728 110 residues pruned to eliminate duplicates Z: 71 77.403 2.541 0.968 0.572 0.957 0.771 CB 1.803 71 residues pruned to eliminate duplicates Z: 107 87.776 2.521 1.026 0.515 0.943 0.726 CB 1.743 107 residues pruned to eliminate duplicates Z: 48 51.608 2.463 1.160 0.402 0.915 0.617 CB 1.715 48 residues pruned to eliminate duplicates Z: 70 84.404 2.579 1.033 0.596 0.957 0.768 CB 1.848 70 residues pruned to eliminate duplicates Z: 71 73.047 2.541 0.922 0.559 0.957 0.686 CB 1.763 71 residues pruned to eliminate duplicates Z: 148 93.726 2.570 0.932 0.506 0.891 0.619 CB 1.735 148 residues pruned to eliminate duplicates Z: 74 74.457 2.511 1.024 0.557 0.918 0.712 CB 1.768 74 residues pruned to eliminate duplicates Z: 67 84.214 2.596 1.024 0.603 0.970 0.742 CB 1.845 67 residues pruned to eliminate duplicates Z: 63 78.632 2.543 1.042 0.610 0.952 0.677 CB 1.820 63 residues pruned to eliminate duplicates Z: 69 82.611 2.590 1.053 0.580 0.971 0.647 CB 1.797 69 residues pruned to eliminate duplicates Z: 83 83.075 2.496 1.011 0.566 0.951 0.732 CB 1.802 83 residues pruned to eliminate duplicates Z: 108 93.699 2.537 1.040 0.531 0.953 0.607 CB 1.781 108 residues pruned to eliminate duplicates Z: 109 95.128 2.513 1.103 0.523 0.954 0.648 CB 1.775 109 residues pruned to eliminate duplicates Z: 108 86.432 2.524 0.992 0.506 0.944 0.664 CB 1.750 108 residues pruned to eliminate duplicates Z: 133 103.385 2.577 1.060 0.522 0.932 0.667 CB 1.780 133 residues pruned to eliminate duplicates Z: 109 89.579 2.508 1.025 0.522 0.944 0.667 CB 1.760 109 residues pruned to eliminate duplicates Z: 108 93.459 2.522 1.094 0.512 0.944 0.645 CB 1.791 108 residues pruned to eliminate duplicates Z: 109 89.106 2.523 0.988 0.505 0.935 0.648 CB 1.820 109 residues pruned to eliminate duplicates Z: 81 86.360 2.528 1.125 0.569 0.950 0.700 CB 1.769 81 residues pruned to eliminate duplicates Z: 108 95.772 2.533 1.136 0.514 0.944 0.682 CB 1.788 108 residues pruned to eliminate duplicates Z: 73 77.969 2.533 0.954 0.576 0.958 0.722 CB 1.800 73 residues pruned to eliminate duplicates Z: 109 93.137 2.516 1.098 0.520 0.944 0.657 CB 1.763 108 residues pruned to eliminate duplicates Z: 13 20.612 1.903 0.976 0.664 0.917 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 81 84.963 2.498 0.997 0.588 0.950 0.725 CB 1.842 81 residues pruned to eliminate duplicates Z: 82 87.832 2.518 1.067 0.559 0.963 0.741 CB 1.839 82 residues pruned to eliminate duplicates Z: 69 86.326 2.590 1.048 0.594 0.971 0.735 CB 1.858 69 residues pruned to eliminate duplicates Z: 108 93.846 2.532 1.104 0.518 0.953 0.607 CB 1.755 108 residues pruned to eliminate duplicates Z: 78 72.655 2.451 1.113 0.454 0.948 0.662 CB 1.767 78 residues pruned to eliminate duplicates Z: 70 77.775 2.564 0.996 0.576 0.957 0.667 CB 1.778 70 residues pruned to eliminate duplicates Z: 108 91.936 2.520 1.028 0.512 0.953 0.673 CB 1.803 108 residues pruned to eliminate duplicates Z: 108 91.883 2.544 1.021 0.531 0.935 0.757 CB 1.794 108 residues pruned to eliminate duplicates Z: 70 80.277 2.583 1.032 0.575 0.942 0.696 CB 1.818 70 residues pruned to eliminate duplicates Z: 70 86.820 2.570 1.086 0.591 0.971 0.667 CB 1.840 70 residues pruned to eliminate duplicates Z: 62 88.981 2.600 1.034 0.645 0.984 0.754 CB 1.913 62 residues pruned to eliminate duplicates Z: 70 82.899 2.580 1.091 0.596 0.942 0.652 CB 1.792 70 residues pruned to eliminate duplicates Z: 170 106.100 2.561 1.026 0.516 0.893 0.598 CB 1.733 170 residues pruned to eliminate duplicates Z: 70 82.943 2.586 1.010 0.587 0.971 0.754 CB 1.821 70 residues pruned to eliminate duplicates Z: 109 87.222 2.517 1.029 0.499 0.926 0.602 CB 1.777 109 residues pruned to eliminate duplicates Z: 81 86.713 2.526 1.077 0.566 0.950 0.663 CB 1.824 81 residues pruned to eliminate duplicates Z: 70 83.092 2.568 1.051 0.569 0.957 0.667 CB 1.857 70 residues pruned to eliminate duplicates Z: 70 81.885 2.566 1.027 0.590 0.957 0.667 CB 1.818 70 residues pruned to eliminate duplicates Z: 69 70.966 2.551 0.891 0.583 0.912 0.676 CB 1.807 69 residues pruned to eliminate duplicates Z: 107 90.979 2.508 1.081 0.514 0.943 0.623 CB 1.770 107 residues pruned to eliminate duplicates Z: 181 98.650 2.515 0.959 0.470 0.883 0.606 CB 1.742 181 residues pruned to eliminate duplicates Z: 108 91.785 2.531 1.027 0.519 0.944 0.692 CB 1.799 108 residues pruned to eliminate duplicates Z: 58 78.407 2.593 1.041 0.616 0.965 0.719 CB 1.822 58 residues pruned to eliminate duplicates Z: 107 92.963 2.532 1.074 0.527 0.934 0.698 CB 1.793 107 residues pruned to eliminate duplicates Z: 107 96.568 2.528 1.070 0.524 0.953 0.670 CB 1.837 107 residues pruned to eliminate duplicates Z: 71 80.197 2.542 1.106 0.578 0.943 0.686 CB 1.762 71 residues pruned to eliminate duplicates Z: 108 93.942 2.528 1.133 0.515 0.925 0.654 CB 1.794 108 residues pruned to eliminate duplicates Z: 107 88.895 2.535 1.060 0.503 0.925 0.632 CB 1.782 109 residues pruned to eliminate duplicates Z: 24 68.084 2.591 1.041 0.904 1.000 0.696 CA 1.913 24 residues pruned to eliminate duplicates Z: 109 84.648 2.524 1.038 0.480 0.917 0.630 CB 1.761 109 residues pruned to eliminate duplicates Z: 109 90.930 2.522 1.129 0.525 0.907 0.630 CB 1.751 109 residues pruned to eliminate duplicates Z: 109 94.805 2.516 1.078 0.522 0.954 0.713 CB 1.789 109 residues pruned to eliminate duplicates Z: 109 87.029 2.494 1.027 0.505 0.935 0.657 CB 1.762 109 residues pruned to eliminate duplicates Z: 70 84.765 2.563 1.039 0.585 0.986 0.681 CB 1.826 70 residues pruned to eliminate duplicates Z: 70 82.683 2.570 1.116 0.592 0.913 0.681 CB 1.835 70 residues pruned to eliminate duplicates Z: 111 84.816 2.478 1.043 0.497 0.909 0.618 CB 1.762 111 residues pruned to eliminate duplicates Z: 108 94.246 2.533 1.099 0.518 0.944 0.636 CB 1.785 108 residues pruned to eliminate duplicates Z: 69 92.048 2.597 1.145 0.587 1.000 0.676 CB 1.843 69 residues pruned to eliminate duplicates Z: 70 85.014 2.569 1.069 0.573 0.971 0.667 CB 1.848 70 residues pruned to eliminate duplicates Z: 108 81.151 2.478 0.950 0.501 0.925 0.673 CB 1.752 108 residues pruned to eliminate duplicates Z: 109 93.546 2.522 1.129 0.516 0.944 0.648 CB 1.746 109 residues pruned to eliminate duplicates Z: 70 85.576 2.560 1.128 0.572 0.957 0.681 CB 1.843 70 residues pruned to eliminate duplicates Z: 161 106.351 2.522 1.080 0.512 0.913 0.637 CB 1.735 161 residues pruned to eliminate duplicates Z: 108 95.433 2.514 1.088 0.522 0.963 0.645 CB 1.787 108 residues pruned to eliminate duplicates Z: 162 103.864 2.523 1.031 0.509 0.907 0.590 CB 1.745 162 residues pruned to eliminate duplicates Z: 121 100.825 2.611 1.056 0.562 0.900 0.625 CB 1.794 121 residues pruned to eliminate duplicates Z: 94 57.196 2.468 0.955 0.414 0.828 0.538 CB 1.625 94 residues pruned to eliminate duplicates Z: 41 59.515 2.679 1.003 0.576 0.900 0.600 CB 1.810 41 residues pruned to eliminate duplicates Z: 26 51.393 2.748 1.042 0.618 0.920 0.640 CB 1.780 26 residues pruned to eliminate duplicates Z: 111 79.905 2.551 1.158 0.467 0.864 0.518 CB 1.656 111 residues pruned to eliminate duplicates Z: 63 61.537 2.623 1.105 0.487 0.839 0.613 CB 1.710 63 residues pruned to eliminate duplicates Z: 29 44.593 2.653 1.040 0.575 0.893 0.607 CB 1.623 29 residues pruned to eliminate duplicates Z: 26 45.023 2.755 1.045 0.566 0.840 0.560 CB 1.784 26 residues pruned to eliminate duplicates Z: 76 67.226 2.624 1.011 0.469 0.893 0.560 CB 1.699 76 residues pruned to eliminate duplicates Z: 52 59.906 2.591 1.027 0.528 0.902 0.569 CB 1.722 52 residues pruned to eliminate duplicates Z: 27 51.365 2.750 1.102 0.589 0.885 0.615 CB 1.808 27 residues pruned to eliminate duplicates Z: 159 107.909 2.537 1.056 0.522 0.918 0.646 CB 1.755 159 residues pruned to eliminate duplicates Z: 27 53.266 2.696 1.187 0.584 0.885 0.615 CB 1.846 27 residues pruned to eliminate duplicates Z: 74 72.565 2.597 1.145 0.501 0.918 0.603 CB 1.660 74 residues pruned to eliminate duplicates Z: 51 57.293 2.604 1.085 0.522 0.840 0.600 CB 1.739 51 residues pruned to eliminate duplicates Z: 63 60.483 2.516 1.053 0.494 0.871 0.597 CB 1.718 63 residues pruned to eliminate duplicates Z: 81 61.909 2.511 1.069 0.453 0.863 0.625 CB 1.620 81 residues pruned to eliminate duplicates Z: 77 64.051 2.574 0.997 0.460 0.882 0.566 CB 1.688 77 residues pruned to eliminate duplicates Z: 87 82.535 2.582 1.045 0.586 0.884 0.674 CB 1.757 87 residues pruned to eliminate duplicates Z: 28 48.873 2.704 1.026 0.577 0.889 0.667 CB 1.794 28 residues pruned to eliminate duplicates Z: 32 45.475 2.635 0.888 0.504 0.903 0.806 CB 1.810 32 residues pruned to eliminate duplicates Z: 79 68.613 2.583 1.103 0.453 0.885 0.538 CB 1.697 79 residues pruned to eliminate duplicates Z: 111 74.377 2.505 1.113 0.468 0.855 0.527 CB 1.620 111 residues pruned to eliminate duplicates Z: 51 58.714 2.646 1.089 0.530 0.840 0.720 CB 1.737 51 residues pruned to eliminate duplicates Z: 55 54.629 2.560 0.990 0.489 0.870 0.574 CB 1.695 55 residues pruned to eliminate duplicates Z: 30 45.868 2.610 1.112 0.530 0.897 0.586 CB 1.673 30 residues pruned to eliminate duplicates Z: 27 32.171 2.402 0.961 0.494 0.846 0.692 CB 1.593 27 residues pruned to eliminate duplicates Z: 21 29.625 2.558 0.806 0.422 0.900 0.650 CB 1.728 21 residues pruned to eliminate duplicates Z: 60 47.526 2.462 0.965 0.418 0.864 0.559 CB 1.612 60 residues pruned to eliminate duplicates Z: 53 58.053 2.586 1.055 0.513 0.865 0.596 CB 1.728 53 residues pruned to eliminate duplicates Z: 51 58.615 2.620 1.074 0.537 0.860 0.640 CB 1.710 51 residues pruned to eliminate duplicates Z: 26 38.211 2.549 0.937 0.467 0.880 0.760 CB 1.818 26 residues pruned to eliminate duplicates Z: 38 36.955 2.397 0.947 0.421 0.865 0.595 CB 1.635 38 residues pruned to eliminate duplicates Z: 44 56.898 2.580 1.071 0.535 0.907 0.605 CB 1.730 44 residues pruned to eliminate duplicates Z: 47 38.624 2.518 0.936 0.361 0.804 0.543 CB 1.687 47 residues pruned to eliminate duplicates Z: 48 55.053 2.551 0.937 0.526 0.894 0.681 CB 1.772 48 residues pruned to eliminate duplicates Z: 19 28.855 2.472 0.931 0.397 0.889 0.611 CB 1.786 19 residues pruned to eliminate duplicates Z: 21 29.419 2.608 0.952 0.369 0.800 0.600 CB 1.860 21 residues pruned to eliminate duplicates Z: 65 54.239 2.574 0.880 0.483 0.844 0.594 CB 1.689 65 residues pruned to eliminate duplicates Z: 115 76.885 2.556 1.096 0.453 0.860 0.544 CB 1.641 115 residues pruned to eliminate duplicates Z: 46 41.243 2.481 1.018 0.360 0.867 0.489 CB 1.648 46 residues pruned to eliminate duplicates Z: 74 61.528 2.559 1.025 0.444 0.863 0.589 CB 1.706 74 residues pruned to eliminate duplicates Z: 51 56.902 2.589 1.027 0.514 0.880 0.600 CB 1.718 51 residues pruned to eliminate duplicates Z: 63 48.581 2.502 0.963 0.385 0.855 0.500 CB 1.660 63 residues pruned to eliminate duplicates Z: 79 68.750 2.571 1.158 0.457 0.885 0.538 CB 1.657 79 residues pruned to eliminate duplicates Z: 63 59.653 2.516 1.181 0.461 0.855 0.613 CB 1.681 63 residues pruned to eliminate duplicates Z: 83 64.694 2.496 1.062 0.432 0.939 0.549 CB 1.586 83 residues pruned to eliminate duplicates Z: 51 36.165 2.407 0.986 0.355 0.820 0.480 CB 1.526 51 residues pruned to eliminate duplicates Z: 29 31.033 2.502 0.991 0.319 0.857 0.429 CB 1.676 29 residues pruned to eliminate duplicates Z: 35 34.859 2.503 1.030 0.331 0.824 0.559 CB 1.720 35 residues pruned to eliminate duplicates Z: 66 52.435 2.461 1.177 0.419 0.877 0.477 CB 1.506 66 residues pruned to eliminate duplicates Z: 37 35.844 2.453 1.012 0.380 0.861 0.444 CB 1.598 37 residues pruned to eliminate duplicates Z: 65 51.120 2.446 1.154 0.435 0.859 0.484 CB 1.510 65 residues pruned to eliminate duplicates Z: 31 28.139 2.336 1.087 0.286 0.933 0.433 CB 1.437 31 residues pruned to eliminate duplicates Z: 28 34.484 2.484 1.167 0.346 0.926 0.481 CB 1.574 28 residues pruned to eliminate duplicates Z: 29 33.974 2.396 1.129 0.364 0.857 0.429 CB 1.700 29 residues pruned to eliminate duplicates Z: 33 27.900 2.338 1.238 0.283 0.812 0.438 CB 1.481 33 residues pruned to eliminate duplicates Z: 29 29.157 2.369 1.096 0.314 0.857 0.357 CB 1.590 29 residues pruned to eliminate duplicates Z: 63 50.495 2.503 0.933 0.399 0.887 0.581 CB 1.662 63 residues pruned to eliminate duplicates Z: 52 45.772 2.467 1.118 0.412 0.843 0.490 CB 1.596 52 residues pruned to eliminate duplicates Z: 63 56.917 2.484 1.190 0.420 0.919 0.500 CB 1.572 63 residues pruned to eliminate duplicates Z: 29 37.349 2.395 1.128 0.346 0.964 0.536 CB 1.698 29 residues pruned to eliminate duplicates Z: 28 26.955 2.494 1.009 0.332 0.778 0.444 CB 1.599 28 residues pruned to eliminate duplicates Z: 26 33.282 2.484 1.103 0.396 0.920 0.520 CB 1.547 26 residues pruned to eliminate duplicates Z: 29 25.036 2.360 1.099 0.303 0.857 0.393 CB 1.387 29 residues pruned to eliminate duplicates Z: 56 43.734 2.436 1.100 0.407 0.836 0.564 CB 1.520 56 residues pruned to eliminate duplicates Z: 26 30.615 2.487 1.128 0.379 0.840 0.440 CB 1.567 26 residues pruned to eliminate duplicates Z: 21 15.175 2.280 0.970 0.246 0.700 0.300 CB 1.447 21 residues pruned to eliminate duplicates Z: 17 21.706 2.286 1.118 0.330 0.875 0.375 CB 1.542 17 residues pruned to eliminate duplicates Z: 112 85.622 2.551 1.177 0.476 0.928 0.604 CB 1.616 113 residues pruned to eliminate duplicates Z: 6 5.082 1.812 0.442 0.563 1.000 0.600 CB 0.819 6 residues pruned to eliminate duplicates Z: 43 37.256 2.411 1.107 0.379 0.857 0.452 CB 1.503 43 residues pruned to eliminate duplicates Z: 66 43.658 2.390 1.022 0.398 0.846 0.492 CB 1.475 66 residues pruned to eliminate duplicates Z: 40 41.676 2.423 1.120 0.465 0.923 0.487 CB 1.459 40 residues pruned to eliminate duplicates Z: 53 45.995 2.442 1.166 0.394 0.846 0.462 CB 1.594 53 residues pruned to eliminate duplicates Z: 64 55.694 2.452 1.288 0.427 0.905 0.413 CB 1.492 63 residues pruned to eliminate duplicates Z: 6 7.631 1.906 1.258 0.252 0.800 0.400 CA 1.318 6 residues pruned to eliminate duplicates Z: 52 44.199 2.440 1.178 0.414 0.843 0.549 CB 1.512 52 residues pruned to eliminate duplicates Z: 40 38.995 2.409 1.157 0.461 0.846 0.513 CB 1.478 40 residues pruned to eliminate duplicates Z: 110 79.760 2.514 1.127 0.482 0.890 0.587 CB 1.635 110 residues pruned to eliminate duplicates Z: 64 54.331 2.458 1.188 0.436 0.889 0.524 CB 1.529 64 residues pruned to eliminate duplicates Z: 15 29.175 2.302 1.088 0.718 0.929 0.500 CB 1.435 15 residues pruned to eliminate duplicates Z: 39 41.209 2.454 1.124 0.476 0.868 0.500 CB 1.513 39 residues pruned to eliminate duplicates Z: 14 33.509 2.168 1.112 0.787 1.000 0.692 CB 1.578 14 residues pruned to eliminate duplicates Z: 35 40.856 2.469 1.224 0.464 0.824 0.500 CB 1.607 35 residues pruned to eliminate duplicates Z: 28 34.870 2.335 1.215 0.488 0.852 0.556 CB 1.542 28 residues pruned to eliminate duplicates Z: 113 79.555 2.533 1.108 0.463 0.893 0.571 CB 1.637 113 residues pruned to eliminate duplicates Z: 18 35.258 2.402 1.334 0.618 0.941 0.471 CB 1.449 18 residues pruned to eliminate duplicates Z: 66 50.319 2.391 1.121 0.400 0.892 0.477 CB 1.532 66 residues pruned to eliminate duplicates Z: 25 35.067 2.349 1.322 0.510 0.875 0.542 CB 1.484 25 residues pruned to eliminate duplicates Z: 44 45.809 2.407 1.281 0.441 0.884 0.488 CB 1.529 44 residues pruned to eliminate duplicates Z: 112 78.183 2.517 1.094 0.474 0.901 0.532 CB 1.604 112 residues pruned to eliminate duplicates Z: 36 40.417 2.430 1.175 0.504 0.857 0.543 CB 1.502 36 residues pruned to eliminate duplicates Z: 52 47.119 2.461 1.202 0.454 0.882 0.451 CB 1.446 52 residues pruned to eliminate duplicates Z: 6 4.426 1.808 0.824 0.477 0.800 0.600 CB 0.768 6 residues pruned to eliminate duplicates Z: 35 40.421 2.480 1.097 0.484 0.882 0.500 CB 1.535 35 residues pruned to eliminate duplicates Z: 25 38.612 2.486 1.081 0.499 0.917 0.583 CB 1.663 25 residues pruned to eliminate duplicates Z: 36 42.701 2.457 1.089 0.494 0.943 0.514 CB 1.501 36 residues pruned to eliminate duplicates Z: 37 41.535 2.421 1.169 0.500 0.889 0.556 CB 1.483 37 residues pruned to eliminate duplicates Z: 7 6.039 1.903 1.100 0.258 0.833 0.333 CA 0.977 7 residues pruned to eliminate duplicates Z: 63 52.934 2.468 1.199 0.413 0.887 0.516 CB 1.529 63 residues pruned to eliminate duplicates Z: 37 40.692 2.413 1.062 0.548 0.889 0.611 CB 1.464 37 residues pruned to eliminate duplicates Z: 50 49.011 2.473 1.137 0.460 0.918 0.551 CB 1.503 50 residues pruned to eliminate duplicates Z: 14 14.857 2.297 0.676 0.480 0.923 0.308 CB 1.183 14 residues pruned to eliminate duplicates Z: 6 12.065 1.932 1.033 0.370 1.000 1.000 CA 1.579 6 residues pruned to eliminate duplicates Z: 39 52.517 2.485 1.122 0.417 0.921 0.553 CB 1.913 39 residues pruned to eliminate duplicates Z: 40 51.755 2.475 1.202 0.394 0.923 0.513 CB 1.841 40 residues pruned to eliminate duplicates Z: 38 51.944 2.534 1.145 0.381 0.892 0.514 CB 1.999 39 residues pruned to eliminate duplicates Z: 6 6.286 2.120 0.697 0.225 0.800 0.200 CA 1.347 6 residues pruned to eliminate duplicates Z: 22 42.442 2.557 1.176 0.398 0.952 0.619 CA 1.948 22 residues pruned to eliminate duplicates Z: 48 53.156 2.505 1.195 0.406 0.851 0.574 CB 1.829 48 residues pruned to eliminate duplicates Z: 39 50.282 2.498 1.105 0.397 0.921 0.474 CB 1.878 39 residues pruned to eliminate duplicates Z: 39 51.929 2.522 1.238 0.405 0.895 0.579 CB 1.844 39 residues pruned to eliminate duplicates Z: 49 57.264 2.534 1.054 0.392 0.938 0.583 CB 1.899 49 residues pruned to eliminate duplicates Z: 23 41.490 2.503 1.319 0.387 0.909 0.682 CB 1.891 23 residues pruned to eliminate duplicates Z: 27 40.656 2.497 1.245 0.338 0.885 0.538 CB 1.918 27 residues pruned to eliminate duplicates Z: 23 42.143 2.577 1.300 0.355 0.909 0.591 CA 1.949 23 residues pruned to eliminate duplicates Z: 39 54.071 2.541 1.158 0.402 0.921 0.526 CB 1.926 39 residues pruned to eliminate duplicates Z: 39 53.002 2.521 1.083 0.415 0.947 0.526 CB 1.888 39 residues pruned to eliminate duplicates Z: 71 66.619 2.503 1.027 0.423 0.929 0.614 CB 1.832 71 residues pruned to eliminate duplicates Z: 39 54.413 2.484 1.279 0.423 0.895 0.632 CB 1.889 39 residues pruned to eliminate duplicates Z: 108 100.282 2.565 1.125 0.519 0.935 0.617 CB 1.868 108 residues pruned to eliminate duplicates Z: 38 46.448 2.506 1.066 0.375 0.892 0.541 CB 1.890 38 residues pruned to eliminate duplicates Z: 23 33.957 2.389 1.042 0.422 0.864 0.545 CB 1.865 23 residues pruned to eliminate duplicates Z: 106 105.678 2.578 1.175 0.533 0.952 0.629 CB 1.870 106 residues pruned to eliminate duplicates Z: 107 107.588 2.586 1.142 0.540 0.953 0.613 CB 1.904 107 residues pruned to eliminate duplicates Z: 7 4.749 1.879 1.027 0.247 0.667 0.333 CB 1.023 7 residues pruned to eliminate duplicates Z: 39 56.679 2.506 1.330 0.407 0.921 0.605 CB 1.884 39 residues pruned to eliminate duplicates Z: 39 54.432 2.523 1.267 0.421 0.895 0.632 CB 1.874 39 residues pruned to eliminate duplicates Z: 40 51.120 2.488 1.177 0.400 0.897 0.641 CB 1.870 40 residues pruned to eliminate duplicates Z: 110 99.434 2.522 1.148 0.510 0.936 0.633 CB 1.860 110 residues pruned to eliminate duplicates Z: 109 102.551 2.555 1.153 0.514 0.954 0.657 CB 1.855 109 residues pruned to eliminate duplicates Z: 108 103.120 2.579 1.116 0.530 0.944 0.645 CB 1.879 115 residues pruned to eliminate duplicates Z: 51 49.483 2.463 1.056 0.368 0.880 0.680 CB 1.810 51 residues pruned to eliminate duplicates Z: 109 98.537 2.534 1.094 0.512 0.935 0.648 CB 1.888 109 residues pruned to eliminate duplicates Z: 40 52.879 2.493 1.255 0.410 0.897 0.564 CB 1.845 40 residues pruned to eliminate duplicates Z: 95 79.539 2.442 1.087 0.506 0.915 0.574 CB 1.748 95 residues pruned to eliminate duplicates Z: 50 57.081 2.515 1.148 0.397 0.898 0.571 CB 1.874 50 residues pruned to eliminate duplicates Z: 108 100.727 2.556 1.142 0.512 0.935 0.626 CB 1.879 108 residues pruned to eliminate duplicates Z: 113 91.867 2.499 1.083 0.496 0.920 0.643 CB 1.820 113 residues pruned to eliminate duplicates Z: 70 86.978 2.595 1.120 0.583 0.942 0.710 CB 1.867 70 residues pruned to eliminate duplicates Z: 71 85.717 2.558 1.110 0.587 0.957 0.686 CB 1.824 71 residues pruned to eliminate duplicates Z: 70 86.334 2.548 1.049 0.597 0.971 0.667 CB 1.869 70 residues pruned to eliminate duplicates Z: 69 91.411 2.591 1.060 0.590 0.971 0.691 CB 1.964 69 residues pruned to eliminate duplicates Z: 109 97.164 2.559 1.101 0.524 0.926 0.630 CB 1.835 109 residues pruned to eliminate duplicates Z: 71 82.943 2.570 1.056 0.578 0.943 0.714 CB 1.845 71 residues pruned to eliminate duplicates Z: 70 83.721 2.559 1.056 0.570 0.942 0.696 CB 1.900 70 residues pruned to eliminate duplicates Z: 74 77.464 2.523 1.058 0.561 0.918 0.644 CB 1.794 74 residues pruned to eliminate duplicates Z: 109 101.487 2.548 1.105 0.526 0.935 0.667 CB 1.898 109 residues pruned to eliminate duplicates Z: 68 90.196 2.601 1.076 0.578 0.985 0.687 CB 1.922 68 residues pruned to eliminate duplicates Z: 70 79.519 2.559 1.002 0.560 0.957 0.667 CB 1.844 70 residues pruned to eliminate duplicates Z: 70 85.984 2.577 1.099 0.578 0.957 0.681 CB 1.857 70 residues pruned to eliminate duplicates Z: 73 82.796 2.524 1.018 0.578 0.944 0.694 CB 1.881 73 residues pruned to eliminate duplicates Z: 70 87.687 2.577 1.081 0.586 0.957 0.739 CB 1.894 70 residues pruned to eliminate duplicates Z: 109 100.194 2.549 1.134 0.511 0.944 0.630 CB 1.856 109 residues pruned to eliminate duplicates Z: 108 102.646 2.575 1.145 0.523 0.953 0.617 CB 1.843 108 residues pruned to eliminate duplicates Z: 70 89.930 2.580 1.156 0.585 0.957 0.696 CB 1.876 70 residues pruned to eliminate duplicates Z: 71 86.175 2.541 1.081 0.588 0.971 0.643 CB 1.842 71 residues pruned to eliminate duplicates Z: 109 103.019 2.553 1.178 0.519 0.944 0.611 CB 1.852 109 residues pruned to eliminate duplicates Z: 69 87.057 2.583 1.115 0.589 0.956 0.706 CB 1.856 69 residues pruned to eliminate duplicates Z: 108 105.166 2.558 1.202 0.518 0.944 0.607 CB 1.878 108 residues pruned to eliminate duplicates Z: 108 99.808 2.566 1.127 0.525 0.925 0.645 CB 1.865 108 residues pruned to eliminate duplicates Z: 91 86.971 2.548 1.067 0.531 0.922 0.611 CB 1.831 91 residues pruned to eliminate duplicates Z: 71 80.311 2.570 1.006 0.569 0.957 0.629 CB 1.819 71 residues pruned to eliminate duplicates Z: 108 100.078 2.548 1.131 0.509 0.935 0.626 CB 1.890 108 residues pruned to eliminate duplicates Z: 68 76.090 2.555 1.018 0.546 0.925 0.642 CB 1.863 68 residues pruned to eliminate duplicates Z: 109 104.369 2.516 1.195 0.531 0.954 0.648 CB 1.850 108 residues pruned to eliminate duplicates Z: 7 7.965 1.818 0.423 0.436 1.000 0.333 N 1.343 7 residues pruned to eliminate duplicates Z: 109 102.327 2.542 1.209 0.521 0.944 0.602 CB 1.817 109 residues pruned to eliminate duplicates Z: 78 76.350 2.459 1.048 0.544 0.922 0.584 CB 1.794 78 residues pruned to eliminate duplicates Z: 71 86.605 2.547 1.115 0.591 0.943 0.629 CB 1.869 71 residues pruned to eliminate duplicates Z: 73 83.313 2.533 1.095 0.565 0.944 0.625 CB 1.839 73 residues pruned to eliminate duplicates Z: 72 81.698 2.550 1.057 0.571 0.944 0.690 CB 1.829 72 residues pruned to eliminate duplicates Z: 69 95.432 2.593 1.146 0.612 0.971 0.735 CB 1.927 69 residues pruned to eliminate duplicates Z: 107 105.512 2.580 1.162 0.531 0.943 0.726 CB 1.890 107 residues pruned to eliminate duplicates Z: 70 93.915 2.572 1.177 0.598 0.971 0.681 CB 1.893 70 residues pruned to eliminate duplicates Z: 109 103.514 2.559 1.125 0.524 0.944 0.648 CB 1.895 109 residues pruned to eliminate duplicates Z: 71 88.242 2.576 1.073 0.602 0.957 0.700 CB 1.873 71 residues pruned to eliminate duplicates Z: 107 103.747 2.588 1.144 0.534 0.943 0.651 CB 1.862 107 residues pruned to eliminate duplicates Z: 69 88.631 2.612 1.048 0.595 0.971 0.706 CB 1.891 69 residues pruned to eliminate duplicates Z: 108 100.336 2.555 1.171 0.508 0.925 0.664 CB 1.875 108 residues pruned to eliminate duplicates Z: 71 79.860 2.542 1.053 0.577 0.914 0.657 CB 1.857 71 residues pruned to eliminate duplicates Z: 106 109.758 2.592 1.147 0.537 0.971 0.638 CB 1.910 107 residues pruned to eliminate duplicates Z: 23 74.175 2.662 1.142 0.931 1.000 0.727 CA 1.938 23 residues pruned to eliminate duplicates Z: 109 97.221 2.519 1.181 0.516 0.917 0.648 CB 1.828 109 residues pruned to eliminate duplicates Z: 106 106.021 2.578 1.144 0.539 0.962 0.686 CB 1.872 106 residues pruned to eliminate duplicates Z: 71 88.681 2.582 1.137 0.573 0.957 0.714 CB 1.871 71 residues pruned to eliminate duplicates Z: 91 94.466 2.559 1.072 0.595 0.933 0.700 CB 1.838 91 residues pruned to eliminate duplicates Z: 108 106.684 2.571 1.202 0.527 0.944 0.654 CB 1.880 108 residues pruned to eliminate duplicates Z: 70 89.435 2.591 1.138 0.581 0.957 0.667 CB 1.880 70 residues pruned to eliminate duplicates Z: 109 103.676 2.554 1.155 0.528 0.954 0.620 CB 1.849 109 residues pruned to eliminate duplicates Z: 70 88.940 2.562 1.151 0.599 0.957 0.725 CB 1.848 70 residues pruned to eliminate duplicates Z: 71 87.002 2.564 1.128 0.572 0.943 0.643 CB 1.885 71 residues pruned to eliminate duplicates Z: 74 74.615 2.514 1.043 0.543 0.918 0.658 CB 1.776 74 residues pruned to eliminate duplicates Z: 70 90.970 2.594 1.149 0.583 0.957 0.725 CB 1.896 70 residues pruned to eliminate duplicates Z: 108 107.625 2.564 1.211 0.528 0.953 0.645 CB 1.873 108 residues pruned to eliminate duplicates Z: 69 95.343 2.598 1.202 0.603 0.971 0.647 CB 1.888 69 residues pruned to eliminate duplicates Z: 70 90.749 2.604 1.122 0.598 0.957 0.623 CB 1.882 70 residues pruned to eliminate duplicates Z: 107 107.605 2.562 1.194 0.528 0.953 0.623 CB 1.898 107 residues pruned to eliminate duplicates Z: 69 91.170 2.602 1.084 0.591 0.971 0.662 CB 1.926 69 residues pruned to eliminate duplicates Z: 72 82.420 2.547 1.024 0.568 0.944 0.718 CB 1.883 72 residues pruned to eliminate duplicates Z: 71 82.084 2.572 1.062 0.575 0.929 0.686 CB 1.852 71 residues pruned to eliminate duplicates Z: 69 88.955 2.577 1.100 0.598 0.971 0.662 CB 1.870 69 residues pruned to eliminate duplicates Z: 121 95.754 2.529 1.060 0.550 0.908 0.675 CB 1.759 121 residues pruned to eliminate duplicates Z: 207 112.422 2.477 1.076 0.486 0.908 0.617 CB 1.702 207 residues pruned to eliminate duplicates Z: 86 48.682 2.418 0.896 0.414 0.788 0.518 CB 1.599 86 residues pruned to eliminate duplicates Z: 44 49.988 2.504 0.916 0.531 0.907 0.605 CB 1.700 44 residues pruned to eliminate duplicates Z: 147 101.076 2.512 1.030 0.518 0.932 0.603 CB 1.730 147 residues pruned to eliminate duplicates Z: 155 108.993 2.554 1.078 0.514 0.903 0.643 CB 1.807 155 residues pruned to eliminate duplicates Z: 64 52.717 2.415 0.951 0.492 0.889 0.571 CB 1.599 64 residues pruned to eliminate duplicates Z: 109 58.891 2.343 0.941 0.462 0.861 0.519 CB 1.503 109 residues pruned to eliminate duplicates Z: 41 49.317 2.543 0.929 0.562 0.900 0.675 CB 1.663 41 residues pruned to eliminate duplicates Z: 51 51.322 2.464 0.898 0.527 0.920 0.660 CB 1.642 51 residues pruned to eliminate duplicates Z: 55 51.397 2.432 0.963 0.505 0.907 0.556 CB 1.607 55 residues pruned to eliminate duplicates Z: 54 46.155 2.437 0.864 0.492 0.849 0.642 CB 1.657 54 residues pruned to eliminate duplicates Z: 120 97.156 2.550 1.022 0.553 0.916 0.664 CB 1.792 120 residues pruned to eliminate duplicates Z: 53 46.320 2.460 0.824 0.519 0.865 0.654 CB 1.623 53 residues pruned to eliminate duplicates Z: 43 37.578 2.419 0.938 0.430 0.857 0.571 CB 1.551 43 residues pruned to eliminate duplicates Z: 62 47.207 2.374 0.953 0.482 0.852 0.672 CB 1.557 62 residues pruned to eliminate duplicates Z: 63 49.910 2.450 0.916 0.484 0.839 0.516 CB 1.636 63 residues pruned to eliminate duplicates Z: 68 46.468 2.375 0.881 0.451 0.836 0.627 CB 1.598 68 residues pruned to eliminate duplicates Z: 44 49.443 2.514 0.910 0.528 0.884 0.721 CB 1.728 44 residues pruned to eliminate duplicates Z: 102 62.523 2.366 0.930 0.464 0.921 0.535 CB 1.534 102 residues pruned to eliminate duplicates Z: 73 58.344 2.442 1.101 0.462 0.889 0.583 CB 1.567 73 residues pruned to eliminate duplicates Z: 63 51.780 2.437 1.004 0.467 0.871 0.565 CB 1.599 63 residues pruned to eliminate duplicates Z: 52 50.382 2.442 0.945 0.509 0.902 0.471 CB 1.632 52 residues pruned to eliminate duplicates Z: 140 96.200 2.484 1.042 0.526 0.899 0.640 CB 1.744 140 residues pruned to eliminate duplicates Z: 48 38.005 2.321 0.999 0.427 0.851 0.489 CB 1.515 48 residues pruned to eliminate duplicates Z: 110 64.870 2.386 0.987 0.477 0.862 0.495 CB 1.556 110 residues pruned to eliminate duplicates Z: 49 50.352 2.527 0.972 0.537 0.875 0.625 CB 1.607 49 residues pruned to eliminate duplicates Z: 61 47.508 2.435 0.859 0.500 0.900 0.583 CB 1.505 61 residues pruned to eliminate duplicates Z: 54 46.430 2.444 0.906 0.493 0.868 0.547 CB 1.589 54 residues pruned to eliminate duplicates Z: 48 54.453 2.519 0.937 0.540 0.936 0.660 CB 1.672 48 residues pruned to eliminate duplicates Z: 42 51.459 2.558 1.076 0.536 0.878 0.683 CB 1.663 42 residues pruned to eliminate duplicates Z: 118 100.788 2.564 1.082 0.547 0.923 0.624 CB 1.806 118 residues pruned to eliminate duplicates Z: 42 51.582 2.545 0.985 0.564 0.902 0.683 CB 1.661 42 residues pruned to eliminate duplicates Z: 80 54.142 2.428 0.988 0.465 0.848 0.582 CB 1.542 80 residues pruned to eliminate duplicates Z: 80 52.514 2.410 0.934 0.430 0.873 0.544 CB 1.561 80 residues pruned to eliminate duplicates Z: 49 40.557 2.362 0.919 0.504 0.875 0.688 CB 1.470 49 residues pruned to eliminate duplicates Z: 50 50.774 2.478 1.079 0.539 0.816 0.653 CB 1.659 50 residues pruned to eliminate duplicates Z: 44 53.315 2.503 1.050 0.540 0.907 0.628 CB 1.680 44 residues pruned to eliminate duplicates Z: 74 53.671 2.382 1.028 0.443 0.877 0.589 CB 1.572 74 residues pruned to eliminate duplicates Z: 112 59.152 2.328 0.915 0.441 0.883 0.523 CB 1.515 112 residues pruned to eliminate duplicates Z: 44 47.658 2.459 0.761 0.545 0.953 0.535 CB 1.684 44 residues pruned to eliminate duplicates Z: 63 39.124 2.340 0.867 0.397 0.871 0.565 CB 1.456 63 residues pruned to eliminate duplicates Z: 49 53.826 2.520 0.944 0.551 0.896 0.667 CB 1.684 49 residues pruned to eliminate duplicates Z: 23 26.427 2.306 0.852 0.427 0.909 0.636 CB 1.566 23 residues pruned to eliminate duplicates Z: 132 94.216 2.470 1.023 0.540 0.908 0.618 CB 1.744 132 residues pruned to eliminate duplicates Z: 62 45.969 2.424 0.872 0.489 0.836 0.574 CB 1.569 62 residues pruned to eliminate duplicates Z: 41 34.556 2.376 0.842 0.441 0.900 0.600 CB 1.474 41 residues pruned to eliminate duplicates Z: 66 45.503 2.393 0.935 0.460 0.846 0.569 CB 1.500 66 residues pruned to eliminate duplicates Z: 47 44.097 2.379 0.931 0.512 0.891 0.587 CB 1.569 47 residues pruned to eliminate duplicates Z: 54 51.622 2.408 1.061 0.518 0.868 0.566 CB 1.617 54 residues pruned to eliminate duplicates Z: 50 54.478 2.487 0.994 0.545 0.918 0.571 CB 1.635 50 residues pruned to eliminate duplicates Z: 181 110.023 2.470 1.089 0.489 0.933 0.583 CB 1.723 181 residues pruned to eliminate duplicates Z: 49 33.709 2.258 0.847 0.417 0.875 0.625 CB 1.454 49 residues pruned to eliminate duplicates Z: 66 39.650 2.193 0.908 0.420 0.923 0.462 CB 1.383 66 residues pruned to eliminate duplicates Z: 15 13.071 2.174 0.806 0.297 0.786 0.429 CB 1.420 15 residues pruned to eliminate duplicates Z: 51 32.803 2.177 0.884 0.399 0.880 0.420 CB 1.430 51 residues pruned to eliminate duplicates Z: 12 14.928 2.251 0.861 0.348 0.818 0.455 CB 1.549 12 residues pruned to eliminate duplicates Z: 28 24.912 2.202 0.890 0.353 0.889 0.407 CB 1.520 28 residues pruned to eliminate duplicates Z: 52 34.844 2.255 0.948 0.412 0.863 0.549 CB 1.412 52 residues pruned to eliminate duplicates Z: 14 13.579 2.111 0.747 0.352 0.846 0.538 CB 1.417 14 residues pruned to eliminate duplicates Z: 11 18.177 2.316 0.868 0.363 0.900 0.500 CB 1.712 11 residues pruned to eliminate duplicates Z: 28 22.837 2.285 0.817 0.359 0.815 0.519 CB 1.513 28 residues pruned to eliminate duplicates Z: 65 41.790 2.210 1.025 0.425 0.906 0.422 CB 1.392 65 residues pruned to eliminate duplicates Z: 62 46.764 2.303 1.111 0.434 0.902 0.443 CB 1.462 62 residues pruned to eliminate duplicates Z: 80 54.406 2.399 0.962 0.450 0.861 0.468 CB 1.591 80 residues pruned to eliminate duplicates Z: 129 64.433 2.318 0.962 0.447 0.898 0.508 CB 1.472 129 residues pruned to eliminate duplicates Z: 63 41.606 2.247 0.994 0.429 0.855 0.419 CB 1.484 63 residues pruned to eliminate duplicates Z: 28 22.647 2.344 0.942 0.313 0.815 0.519 CB 1.446 28 residues pruned to eliminate duplicates Z: 53 39.853 2.270 1.063 0.431 0.904 0.462 CB 1.403 53 residues pruned to eliminate duplicates Z: 27 22.779 2.276 1.032 0.352 0.808 0.538 CB 1.404 27 residues pruned to eliminate duplicates Z: 28 24.188 2.212 0.953 0.354 0.815 0.444 CB 1.548 28 residues pruned to eliminate duplicates Z: 29 21.583 2.210 1.023 0.328 0.786 0.607 CB 1.402 29 residues pruned to eliminate duplicates Z: 13 6.635 2.036 0.280 0.281 0.750 0.333 CB 1.254 13 residues pruned to eliminate duplicates Z: 28 29.137 2.325 1.099 0.334 0.926 0.481 CB 1.489 28 residues pruned to eliminate duplicates Z: 23 15.170 2.135 0.965 0.251 0.727 0.455 CB 1.412 23 residues pruned to eliminate duplicates Z: 40 30.379 2.217 1.010 0.420 0.897 0.513 CB 1.322 40 residues pruned to eliminate duplicates Z: 59 36.554 2.232 0.961 0.398 0.879 0.483 CB 1.389 59 residues pruned to eliminate duplicates Z: 27 21.004 2.292 1.018 0.314 0.808 0.615 CB 1.355 27 residues pruned to eliminate duplicates Z: 63 40.077 2.259 1.025 0.409 0.871 0.565 CB 1.404 63 residues pruned to eliminate duplicates Z: 56 32.134 2.157 1.050 0.355 0.873 0.455 CB 1.314 56 residues pruned to eliminate duplicates Z: 52 37.368 2.246 1.000 0.420 0.882 0.529 CB 1.435 52 residues pruned to eliminate duplicates Z: 52 34.001 2.207 1.028 0.401 0.863 0.529 CB 1.368 52 residues pruned to eliminate duplicates Z: 14 14.938 2.107 1.309 0.303 0.846 0.308 CB 1.253 14 residues pruned to eliminate duplicates Z: 27 23.941 2.313 1.031 0.344 0.885 0.423 CB 1.339 27 residues pruned to eliminate duplicates Z: 36 33.627 2.253 1.076 0.480 0.886 0.486 CB 1.400 36 residues pruned to eliminate duplicates Z: 37 30.471 2.204 1.026 0.488 0.861 0.472 CB 1.337 37 residues pruned to eliminate duplicates Z: 40 33.230 2.229 1.090 0.453 0.897 0.564 CB 1.336 40 residues pruned to eliminate duplicates Z: 38 30.485 2.149 1.014 0.456 0.919 0.541 CB 1.319 38 residues pruned to eliminate duplicates Z: 37 32.170 2.217 0.968 0.472 0.889 0.556 CB 1.422 37 residues pruned to eliminate duplicates Z: 53 36.088 2.257 0.971 0.421 0.885 0.423 CB 1.381 53 residues pruned to eliminate duplicates Z: 27 29.073 2.191 0.810 0.502 0.923 0.538 CB 1.554 27 residues pruned to eliminate duplicates Z: 25 35.568 2.306 1.064 0.536 0.917 0.667 CB 1.606 25 residues pruned to eliminate duplicates Z: 25 27.132 2.112 1.044 0.479 0.917 0.625 CB 1.431 25 residues pruned to eliminate duplicates Z: 20 16.859 1.966 0.790 0.585 0.895 0.526 CB 1.132 20 residues pruned to eliminate duplicates Z: 15 24.760 2.009 0.902 0.559 1.000 0.643 CB 1.635 15 residues pruned to eliminate duplicates Z: 14 22.401 2.074 0.884 0.680 0.923 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 38 31.031 2.178 0.928 0.438 0.919 0.595 CB 1.409 38 residues pruned to eliminate duplicates Z: 21 19.279 1.908 0.842 0.511 0.850 0.450 CB 1.427 21 residues pruned to eliminate duplicates Z: 42 30.251 2.191 0.910 0.414 0.854 0.537 CB 1.447 42 residues pruned to eliminate duplicates Z: 16 21.164 2.098 0.979 0.579 0.800 0.533 CB 1.525 16 residues pruned to eliminate duplicates Z: 17 19.898 2.059 0.885 0.605 0.875 0.688 CB 1.326 17 residues pruned to eliminate duplicates Z: 26 31.304 2.245 1.011 0.519 0.880 0.720 CB 1.546 26 residues pruned to eliminate duplicates Z: 27 31.470 2.226 1.058 0.535 0.885 0.692 CB 1.472 27 residues pruned to eliminate duplicates Z: 26 34.327 2.234 1.114 0.521 0.920 0.560 CB 1.547 26 residues pruned to eliminate duplicates Z: 25 35.077 2.283 1.053 0.556 0.917 0.667 CB 1.579 25 residues pruned to eliminate duplicates Z: 38 32.018 2.182 1.053 0.478 0.892 0.676 CB 1.346 38 residues pruned to eliminate duplicates Z: 52 37.211 2.267 1.024 0.417 0.882 0.588 CB 1.403 52 residues pruned to eliminate duplicates Z: 27 28.294 2.184 0.991 0.553 0.808 0.577 CB 1.501 27 residues pruned to eliminate duplicates Z: 64 41.345 2.252 0.995 0.412 0.905 0.524 CB 1.405 64 residues pruned to eliminate duplicates Z: 64 41.218 2.262 1.099 0.407 0.857 0.556 CB 1.407 64 residues pruned to eliminate duplicates Z: 14 20.971 2.205 1.056 0.414 0.923 0.538 CB 1.520 14 residues pruned to eliminate duplicates Z: 49 34.769 2.240 0.938 0.440 0.896 0.625 CB 1.373 48 residues pruned to eliminate duplicates 436 residues left after pruning, divided into chains as follows: A: 221 B: 215 CC for partial structure against native data = 46.30 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.778, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.886, Connect. = 0.804 for dens.mod. cycle 2 = 0.300, Contrast = 1.102, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 1.134, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 1.161, Connect. = 0.830 for dens.mod. cycle 5 = 0.300, Contrast = 1.169, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 1.179, Connect. = 0.832 for dens.mod. cycle 7 = 0.300, Contrast = 1.181, Connect. = 0.833 for dens.mod. cycle 8 = 0.300, Contrast = 1.185, Connect. = 0.834 for dens.mod. cycle 9 = 0.300, Contrast = 1.185, Connect. = 0.835 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.93 - 3.11 - 2.70 - 2.45 - 2.27 - 2.14 - 2.03 - 1.94 - 1.86 - 1.80 0.792 0.822 0.792 0.774 0.769 0.768 0.747 0.712 0.676 0.657 0.912 0.923 0.891 0.870 0.859 0.856 0.835 0.795 0.759 0.736 N 7301 7191 7469 7286 7399 6973 7366 7333 7736 6408 Estimated mean FOM = 0.752 Pseudo-free CC = 77.04 % Best trace (cycle 2 with CC 46.84%) was saved as ./2fg0-1.8-parrot-hancs/2fg0-1.8-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.9 - Setup, data input and phasing 9.6 - FFTs and peak-searches 20.5 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 1097.9 - Tripeptide search 23015.9 - Chain tracing 0.0 - NCS analysis 77.9 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:21:02 Total time: 24224.25 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 405.76 Used memory is bytes: 7522432