null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:17:06 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.ins Phases from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi Native data from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.hkl Listing output to ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.lst Phases output to ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phs Poly-Ala trace output to ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 81222 Reflections read from file ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi 81222 Reflections read from file ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.hkl 81222 Unique data, highest resolution = 1.802 Angstroms Anisotropic scaling: intensities multiplied by 0.000085h^2 +0.000173k^2 -0.000160l^2 +0.000000kl -0.001672hl +0.000000hk 137 Reflections with d > 2.002 and 0 in range 2.002 > d > 1.802 added Density sharpening factor set to 1.05 Fourier grid = 128 x 256 x 75 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.712 = 0.300, Contrast = 0.540, Connect. = 0.788 for dens.mod. cycle 1 = 0.300, Contrast = 0.624, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 0.704, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.719, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.727, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.732, Connect. = 0.817 for dens.mod. cycle 6 = 0.300, Contrast = 0.735, Connect. = 0.818 for dens.mod. cycle 7 = 0.300, Contrast = 0.737, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.737, Connect. = 0.819 for dens.mod. cycle 9 = 0.300, Contrast = 0.738, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3854 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 991 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 44.439 2.362 1.256 0.912 0.923 0.923 CB 1.774 B: 16 36.586 2.256 1.148 0.813 0.867 0.667 CB 1.713 14 residues pruned to eliminate duplicates C: 14 28.345 2.268 1.115 0.822 0.923 0.462 CB 1.343 D: 15 17.359 2.271 0.973 0.360 0.857 0.429 CB 1.404 E: 17 40.666 2.209 1.499 0.897 0.875 0.688 CB 1.507 F: 15 49.819 2.352 1.354 0.876 1.000 0.929 CB 1.748 16 residues pruned to eliminate duplicates G: 17 41.622 2.175 1.412 0.916 0.938 0.812 CB 1.494 17 residues pruned to eliminate duplicates H: 13 24.441 2.169 0.984 0.800 0.917 0.833 CB 1.376 I: 16 37.126 2.187 1.089 0.857 1.000 0.600 CA 1.546 16 residues pruned to eliminate duplicates J: 13 30.168 2.313 1.095 0.863 0.750 0.500 CA 1.758 14 residues pruned to eliminate duplicates K: 11 23.130 2.222 0.995 0.806 0.800 0.500 CB 1.580 L: 14 35.475 2.399 0.816 0.928 1.000 0.923 CB 1.581 M: 20 39.956 2.226 0.926 0.895 1.000 0.737 CB 1.533 N: 38 48.778 2.289 0.670 0.876 0.946 0.703 CB 1.611 O: 12 27.176 2.323 1.039 0.805 0.818 0.636 CA 1.620 12 residues pruned to eliminate duplicates P: 23 44.023 2.296 0.923 0.818 0.955 0.727 CB 1.690 23 residues pruned to eliminate duplicates Q: 20 50.854 2.389 1.075 0.914 0.947 0.579 CB 1.756 20 residues pruned to eliminate duplicates R: 14 53.529 2.469 1.407 0.944 1.000 1.000 CB 1.731 17 residues pruned to eliminate duplicates S: 12 25.392 2.308 0.676 0.810 0.909 0.636 CA 1.662 11 residues pruned to eliminate duplicates T: 16 42.327 2.272 1.377 0.935 0.933 0.667 CB 1.510 16 residues pruned to eliminate duplicates U: 12 32.275 2.505 0.791 0.843 1.000 0.636 CB 1.615 12 residues pruned to eliminate duplicates V: 21 44.489 2.363 0.986 0.880 0.900 0.800 CB 1.707 21 residues pruned to eliminate duplicates W: 20 48.752 2.360 0.985 0.925 1.000 0.895 CA 1.675 20 residues pruned to eliminate duplicates X: 18 22.155 2.256 0.891 0.387 0.882 0.353 CA 1.610 Y: 17 30.439 2.083 0.787 0.804 1.000 0.688 CA 1.568 13 residues pruned to eliminate duplicates Z: 20 38.467 2.202 1.114 0.919 0.947 0.632 CB 1.411 20 residues pruned to eliminate duplicates Z: 17 20.838 2.262 0.730 0.392 0.875 0.562 CA 1.706 17 residues pruned to eliminate duplicates Z: 8 12.246 2.186 1.073 0.363 0.857 0.429 CB 1.380 Z: 10 29.068 2.413 0.788 0.859 1.000 0.667 CA 1.652 10 residues pruned to eliminate duplicates Z: 14 34.289 2.373 0.745 0.922 1.000 0.923 CB 1.615 14 residues pruned to eliminate duplicates Z: 15 49.506 2.453 1.373 0.928 1.000 1.000 CB 1.592 15 residues pruned to eliminate duplicates Z: 15 47.527 2.334 1.234 0.930 1.000 0.857 CB 1.704 15 residues pruned to eliminate duplicates Z: 58 40.822 2.109 0.844 0.576 0.895 0.596 CB 1.444 11 residues pruned to eliminate duplicates Z: 19 14.314 1.803 0.817 0.342 0.889 0.611 CB 1.377 Z: 30 42.126 2.324 1.018 0.552 0.966 0.586 CB 1.642 13 residues pruned to eliminate duplicates Z: 38 32.976 2.119 0.829 0.623 0.892 0.703 CB 1.396 38 residues pruned to eliminate duplicates Z: 34 41.271 2.288 1.099 0.554 0.939 0.758 CB 1.511 27 residues pruned to eliminate duplicates Z: 18 16.903 2.107 0.839 0.440 0.882 0.706 CB 1.276 Z: 16 24.426 1.948 0.662 0.923 0.933 0.800 CB 1.467 Z: 12 28.969 2.129 1.042 0.825 1.000 0.909 CB 1.516 12 residues pruned to eliminate duplicates Z: 15 56.774 2.390 1.653 0.898 1.000 0.929 CA 1.712 14 residues pruned to eliminate duplicates Z: 18 19.207 2.095 0.733 0.568 0.882 0.588 CB 1.361 Z: 53 49.159 2.152 1.038 0.641 0.923 0.558 CB 1.475 53 residues pruned to eliminate duplicates Z: 20 40.497 2.206 0.978 0.938 1.000 0.737 CB 1.481 20 residues pruned to eliminate duplicates Z: 31 35.273 2.404 0.939 0.420 0.867 0.367 CB 1.732 13 residues pruned to eliminate duplicates Z: 15 44.266 2.442 1.361 0.887 0.929 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 15 16.619 2.225 0.879 0.366 0.786 0.429 CB 1.561 16 residues pruned to eliminate duplicates Z: 21 35.424 2.209 1.062 0.879 0.900 0.800 CB 1.401 21 residues pruned to eliminate duplicates Z: 8 12.111 2.089 1.310 0.528 0.857 0.571 CB 1.077 Z: 17 19.834 2.005 1.027 0.469 0.875 0.500 CB 1.439 16 residues pruned to eliminate duplicates Z: 15 21.720 1.947 1.039 0.489 1.000 0.714 CB 1.479 Z: 15 34.004 2.230 0.943 0.922 1.000 0.571 CB 1.476 15 residues pruned to eliminate duplicates Z: 28 51.165 2.340 1.054 0.680 0.963 0.630 CB 1.803 18 residues pruned to eliminate duplicates Z: 14 20.509 2.089 0.923 0.742 0.846 0.615 CB 1.347 13 residues pruned to eliminate duplicates Z: 21 41.998 2.276 0.833 0.852 1.000 0.750 CA 1.665 21 residues pruned to eliminate duplicates Z: 17 19.555 1.960 0.357 0.891 1.000 0.812 CB 1.322 17 residues pruned to eliminate duplicates Z: 16 26.543 1.956 0.669 0.898 1.000 0.800 CB 1.501 16 residues pruned to eliminate duplicates Z: 20 45.764 2.356 1.040 0.897 0.895 0.526 CB 1.748 20 residues pruned to eliminate duplicates Z: 31 25.701 1.933 0.806 0.593 0.867 0.733 CB 1.418 15 residues pruned to eliminate duplicates Z: 15 24.133 2.251 0.766 0.832 0.929 0.786 CB 1.312 Z: 18 29.105 1.992 1.089 0.723 0.941 0.588 CB 1.475 18 residues pruned to eliminate duplicates Z: 14 25.982 2.361 0.366 0.912 1.000 0.923 CB 1.583 14 residues pruned to eliminate duplicates Z: 15 36.874 2.284 1.065 0.932 1.000 0.857 CB 1.459 15 residues pruned to eliminate duplicates Z: 44 37.912 2.221 0.808 0.476 0.953 0.512 CB 1.546 42 residues pruned to eliminate duplicates Z: 13 19.556 2.123 0.517 0.884 0.917 0.833 CB 1.381 Z: 15 43.905 2.394 0.910 0.907 1.000 0.857 CA 1.824 15 residues pruned to eliminate duplicates Z: 17 26.923 2.166 0.900 0.769 0.938 0.500 CB 1.375 17 residues pruned to eliminate duplicates Z: 17 39.225 2.356 0.952 0.786 0.938 0.750 CB 1.768 17 residues pruned to eliminate duplicates Z: 13 39.655 2.467 0.956 0.932 1.000 1.000 CB 1.656 13 residues pruned to eliminate duplicates Z: 7 12.527 1.899 0.914 0.572 1.000 0.667 CB 1.312 4 residues pruned to eliminate duplicates Z: 15 48.414 2.373 1.274 0.921 1.000 0.929 CB 1.688 15 residues pruned to eliminate duplicates Z: 17 30.140 2.027 0.830 0.835 1.000 0.750 CB 1.522 Z: 15 27.108 2.043 0.560 0.932 1.000 0.786 CB 1.587 15 residues pruned to eliminate duplicates Z: 16 30.290 1.932 0.845 0.947 1.000 0.867 CB 1.516 16 residues pruned to eliminate duplicates Z: 23 24.914 2.266 0.894 0.481 0.864 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 6 17.340 2.208 1.083 0.674 0.800 0.800 CA 1.794 6 residues pruned to eliminate duplicates Z: 16 45.452 2.294 1.479 0.820 1.000 0.600 CB 1.564 16 residues pruned to eliminate duplicates Z: 36 32.798 2.027 0.583 0.849 0.971 0.686 CB 1.318 35 residues pruned to eliminate duplicates Z: 30 45.884 2.418 1.081 0.563 0.966 0.690 CB 1.650 30 residues pruned to eliminate duplicates Z: 64 49.411 2.230 0.929 0.525 0.905 0.698 CB 1.560 48 residues pruned to eliminate duplicates Z: 140 62.475 2.146 0.847 0.567 0.906 0.561 CB 1.381 103 residues pruned to eliminate duplicates Z: 13 26.770 2.215 1.014 0.820 0.917 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 12 21.924 2.079 0.682 0.790 0.909 0.727 CB 1.612 12 residues pruned to eliminate duplicates Z: 24 47.912 2.305 0.974 0.863 0.957 0.739 CB 1.685 24 residues pruned to eliminate duplicates Z: 15 31.830 2.266 0.742 0.934 1.000 0.929 CB 1.503 15 residues pruned to eliminate duplicates Z: 50 39.566 2.170 1.098 0.484 0.898 0.571 CB 1.405 36 residues pruned to eliminate duplicates Z: 13 26.918 2.071 0.963 0.924 0.833 0.583 CB 1.610 14 residues pruned to eliminate duplicates Z: 18 20.160 1.867 0.796 0.530 0.941 0.529 CA 1.504 18 residues pruned to eliminate duplicates Z: 12 22.797 2.195 0.904 0.786 0.909 0.636 CB 1.407 13 residues pruned to eliminate duplicates Z: 40 30.153 2.073 0.708 0.608 0.872 0.744 CB 1.411 40 residues pruned to eliminate duplicates Z: 94 57.302 2.179 0.925 0.559 0.957 0.559 CB 1.398 49 residues pruned to eliminate duplicates Z: 32 42.723 2.341 1.038 0.602 0.903 0.742 CB 1.616 32 residues pruned to eliminate duplicates Z: 18 31.909 2.208 0.854 0.813 1.000 0.882 CB 1.439 18 residues pruned to eliminate duplicates Z: 16 26.654 2.029 0.529 0.942 1.000 0.800 CB 1.538 15 residues pruned to eliminate duplicates Z: 21 32.358 2.277 0.837 0.632 1.000 0.550 CA 1.528 21 residues pruned to eliminate duplicates Z: 26 25.850 2.189 1.065 0.497 0.840 0.520 CB 1.365 26 residues pruned to eliminate duplicates Z: 20 41.706 2.242 1.107 0.925 0.947 0.789 CB 1.501 20 residues pruned to eliminate duplicates Z: 14 28.369 2.281 0.648 0.830 1.000 0.615 CB 1.574 15 residues pruned to eliminate duplicates Z: 16 33.653 2.017 0.913 0.956 1.000 0.800 CB 1.547 16 residues pruned to eliminate duplicates Z: 29 43.980 2.311 0.963 0.598 0.929 0.607 CB 1.797 29 residues pruned to eliminate duplicates Z: 18 21.303 1.975 0.973 0.456 1.000 0.647 CB 1.387 18 residues pruned to eliminate duplicates Z: 33 34.983 2.237 0.997 0.543 0.875 0.656 CB 1.517 33 residues pruned to eliminate duplicates Z: 40 29.388 1.983 0.891 0.550 0.872 0.615 CB 1.371 40 residues pruned to eliminate duplicates Z: 30 36.555 2.201 1.168 0.565 0.897 0.655 CB 1.490 30 residues pruned to eliminate duplicates Z: 16 29.034 2.178 1.347 0.728 0.800 0.400 CB 1.494 16 residues pruned to eliminate duplicates Z: 15 50.751 2.342 1.375 0.944 1.000 0.857 CB 1.689 15 residues pruned to eliminate duplicates Z: 16 22.649 1.953 0.722 0.924 1.000 0.800 CB 1.221 Z: 16 24.600 2.022 0.481 0.914 1.000 0.733 CB 1.500 16 residues pruned to eliminate duplicates Z: 22 21.033 1.913 0.714 0.512 1.000 0.714 CB 1.383 Z: 20 23.733 2.150 0.793 0.538 0.895 0.632 CB 1.521 21 residues pruned to eliminate duplicates Z: 30 21.504 2.016 0.802 0.464 0.897 0.655 CB 1.272 30 residues pruned to eliminate duplicates Z: 79 61.431 2.285 0.888 0.632 0.936 0.667 CB 1.522 79 residues pruned to eliminate duplicates Z: 19 10.303 2.070 0.706 0.257 0.667 0.222 CB 1.363 19 residues pruned to eliminate duplicates Z: 14 50.509 2.392 1.270 0.942 1.000 0.769 CA 1.789 14 residues pruned to eliminate duplicates Z: 71 38.220 2.105 0.902 0.487 0.886 0.614 CB 1.305 71 residues pruned to eliminate duplicates Z: 18 18.074 2.198 0.886 0.447 0.824 0.529 CB 1.356 19 residues pruned to eliminate duplicates Z: 34 29.635 2.023 0.594 0.846 0.909 0.727 CB 1.307 34 residues pruned to eliminate duplicates Z: 13 34.033 2.154 1.325 0.820 1.000 0.833 CB 1.486 13 residues pruned to eliminate duplicates Z: 13 23.079 2.259 0.522 0.857 1.000 0.917 CB 1.427 13 residues pruned to eliminate duplicates Z: 13 19.144 2.057 0.642 0.900 0.833 0.583 CB 1.403 13 residues pruned to eliminate duplicates Z: 6 7.909 1.825 0.835 0.698 0.800 0.600 CB 1.102 6 residues pruned to eliminate duplicates Z: 14 33.868 2.154 1.180 0.863 0.923 0.846 CA 1.590 14 residues pruned to eliminate duplicates Z: 25 35.149 2.282 1.131 0.539 0.875 0.667 CB 1.623 25 residues pruned to eliminate duplicates Z: 18 33.973 2.389 0.735 0.679 1.000 0.882 CB 1.686 18 residues pruned to eliminate duplicates Z: 15 21.757 2.221 0.992 0.513 0.929 0.500 CB 1.397 15 residues pruned to eliminate duplicates Z: 13 8.551 1.924 0.431 0.300 0.750 0.583 CB 1.495 13 residues pruned to eliminate duplicates Z: 20 15.280 1.884 0.798 0.458 0.789 0.474 CB 1.369 Z: 9 15.448 2.138 0.977 0.748 0.750 0.375 CB 1.380 9 residues pruned to eliminate duplicates Z: 20 31.322 2.308 0.864 0.438 1.000 0.474 CA 1.780 20 residues pruned to eliminate duplicates Z: 24 22.605 2.231 0.854 0.434 0.870 0.478 CB 1.404 24 residues pruned to eliminate duplicates Z: 17 19.408 2.118 0.675 0.527 0.938 0.438 CB 1.421 17 residues pruned to eliminate duplicates Z: 12 35.909 2.311 1.184 0.843 1.000 0.818 CB 1.598 13 residues pruned to eliminate duplicates Z: 40 41.489 2.357 1.103 0.498 0.872 0.487 CB 1.540 40 residues pruned to eliminate duplicates Z: 18 33.054 2.302 1.066 0.588 0.882 0.647 CA 1.757 16 residues pruned to eliminate duplicates Z: 17 30.639 1.971 0.897 0.926 1.000 0.688 CB 1.436 17 residues pruned to eliminate duplicates Z: 15 42.312 2.220 1.284 0.913 1.000 0.857 CA 1.579 14 residues pruned to eliminate duplicates Z: 9 31.033 2.455 0.769 0.914 1.000 0.875 CB 1.786 9 residues pruned to eliminate duplicates Z: 80 39.641 2.161 0.849 0.479 0.886 0.544 CB 1.287 80 residues pruned to eliminate duplicates Z: 30 42.042 2.394 1.072 0.563 0.897 0.621 CB 1.652 30 residues pruned to eliminate duplicates Z: 36 38.422 2.225 0.899 0.569 0.886 0.657 CB 1.623 36 residues pruned to eliminate duplicates Z: 16 10.295 1.971 0.927 0.411 0.667 0.533 CB 1.152 16 residues pruned to eliminate duplicates Z: 17 19.365 1.967 0.449 0.860 0.875 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 28 32.563 2.184 1.032 0.547 0.926 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 19 33.881 2.402 1.152 0.491 0.889 0.611 CA 1.753 20 residues pruned to eliminate duplicates Z: 16 38.014 2.207 0.994 0.923 0.933 0.800 CB 1.680 16 residues pruned to eliminate duplicates Z: 25 50.524 2.386 1.026 0.697 1.000 0.708 CB 1.782 25 residues pruned to eliminate duplicates Z: 18 13.093 2.004 0.661 0.431 0.824 0.412 CB 1.244 18 residues pruned to eliminate duplicates Z: 13 32.060 2.150 1.279 0.795 1.000 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 20 39.203 2.232 0.884 0.909 1.000 0.737 CB 1.518 20 residues pruned to eliminate duplicates Z: 11 15.114 2.143 0.400 0.795 0.900 0.800 CB 1.366 11 residues pruned to eliminate duplicates Z: 13 15.596 2.128 0.540 0.828 0.833 0.583 CB 1.242 13 residues pruned to eliminate duplicates Z: 13 25.696 2.178 0.949 0.791 1.000 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 31 46.752 2.378 1.175 0.551 0.967 0.700 CB 1.624 31 residues pruned to eliminate duplicates Z: 109 56.152 2.190 0.884 0.544 0.907 0.565 CB 1.382 109 residues pruned to eliminate duplicates Z: 12 27.083 2.211 1.062 0.827 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 30 28.100 2.104 0.781 0.526 0.897 0.621 CB 1.514 30 residues pruned to eliminate duplicates Z: 32 28.905 2.181 0.833 0.471 0.806 0.581 CB 1.658 32 residues pruned to eliminate duplicates Z: 16 25.969 2.156 0.976 0.830 0.867 0.467 CB 1.365 16 residues pruned to eliminate duplicates Z: 32 22.323 2.033 0.928 0.479 0.839 0.645 CB 1.245 32 residues pruned to eliminate duplicates Z: 67 55.740 2.176 1.100 0.605 0.924 0.576 CB 1.470 67 residues pruned to eliminate duplicates Z: 10 12.576 2.082 0.690 0.547 0.778 0.667 CB 1.462 9 residues pruned to eliminate duplicates Z: 28 21.422 2.061 0.764 0.501 0.889 0.630 CB 1.274 28 residues pruned to eliminate duplicates Z: 18 30.704 2.154 1.050 0.814 0.941 0.529 CB 1.364 18 residues pruned to eliminate duplicates Z: 15 29.857 2.239 0.849 0.837 0.929 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 21 45.594 2.341 0.910 0.911 0.950 0.850 CB 1.701 21 residues pruned to eliminate duplicates Z: 25 19.998 2.044 0.753 0.504 0.875 0.583 CB 1.297 25 residues pruned to eliminate duplicates Z: 40 33.650 2.290 0.969 0.452 0.872 0.487 CB 1.439 40 residues pruned to eliminate duplicates Z: 14 16.632 2.285 0.334 0.814 0.923 0.846 CB 1.247 14 residues pruned to eliminate duplicates Z: 61 46.979 2.250 0.773 0.537 0.917 0.583 CB 1.600 54 residues pruned to eliminate duplicates Z: 17 20.434 1.907 0.310 0.906 1.000 0.750 CB 1.455 17 residues pruned to eliminate duplicates Z: 52 44.602 2.171 0.948 0.607 0.922 0.667 CB 1.447 52 residues pruned to eliminate duplicates Z: 52 44.470 2.179 0.938 0.621 0.902 0.549 CB 1.459 52 residues pruned to eliminate duplicates Z: 8 11.929 1.886 0.884 0.585 0.857 0.714 CA 1.364 8 residues pruned to eliminate duplicates Z: 6 23.183 2.417 0.949 0.767 1.000 1.000 CB 1.737 6 residues pruned to eliminate duplicates Z: 14 18.249 1.968 0.967 0.522 0.923 0.846 CB 1.386 Z: 16 29.140 2.126 0.865 0.793 0.933 0.800 CB 1.573 16 residues pruned to eliminate duplicates Z: 20 53.186 2.360 1.071 0.933 1.000 0.842 CA 1.743 20 residues pruned to eliminate duplicates Z: 16 40.194 2.207 1.263 0.846 0.933 0.733 CB 1.654 16 residues pruned to eliminate duplicates Z: 14 30.084 2.170 0.973 0.943 1.000 0.692 CB 1.351 15 residues pruned to eliminate duplicates Z: 27 23.403 2.323 0.700 0.391 0.846 0.385 CB 1.541 27 residues pruned to eliminate duplicates Z: 14 42.813 2.421 1.106 0.944 1.000 0.846 CB 1.612 14 residues pruned to eliminate duplicates Z: 37 36.282 2.155 0.980 0.559 0.889 0.722 CB 1.506 37 residues pruned to eliminate duplicates Z: 17 29.253 2.103 0.711 0.883 1.000 0.875 CB 1.469 17 residues pruned to eliminate duplicates Z: 56 40.073 2.109 1.055 0.568 0.855 0.509 CB 1.366 56 residues pruned to eliminate duplicates Z: 22 49.516 2.230 1.126 0.879 1.000 0.762 CB 1.652 43 residues pruned to eliminate duplicates Z: 15 23.498 2.225 0.752 0.809 0.929 0.571 CB 1.325 15 residues pruned to eliminate duplicates Z: 19 23.832 2.062 0.622 0.861 0.944 0.667 CB 1.306 19 residues pruned to eliminate duplicates Z: 16 28.093 1.926 0.791 0.944 1.000 0.400 CB 1.456 16 residues pruned to eliminate duplicates Z: 12 17.338 1.803 0.693 0.870 1.000 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 35 40.695 2.263 0.915 0.600 0.882 0.676 CB 1.659 35 residues pruned to eliminate duplicates Z: 16 31.155 2.141 1.033 0.912 0.933 0.733 CB 1.401 16 residues pruned to eliminate duplicates Z: 15 19.106 2.212 0.861 0.482 0.857 0.714 CB 1.474 15 residues pruned to eliminate duplicates Z: 21 33.975 2.183 0.952 0.878 0.950 0.750 CB 1.362 22 residues pruned to eliminate duplicates Z: 17 35.639 2.039 1.099 0.937 1.000 0.625 CB 1.449 17 residues pruned to eliminate duplicates Z: 16 40.640 2.231 1.269 0.841 0.933 0.733 CB 1.656 16 residues pruned to eliminate duplicates Z: 14 18.646 2.290 0.928 0.471 0.846 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 21 22.572 2.200 0.821 0.433 0.900 0.500 CB 1.501 21 residues pruned to eliminate duplicates Z: 6 4.947 1.564 0.514 0.604 1.000 0.800 C 0.846 Z: 53 27.744 1.991 0.695 0.602 0.865 0.596 CB 1.196 23 residues pruned to eliminate duplicates Z: 10 15.199 1.967 1.010 0.411 1.000 0.556 CA 1.407 10 residues pruned to eliminate duplicates Z: 73 54.704 2.301 1.056 0.535 0.889 0.500 CB 1.481 73 residues pruned to eliminate duplicates Z: 8 8.436 1.979 0.731 0.714 0.714 0.429 CB 1.073 8 residues pruned to eliminate duplicates Z: 13 19.977 2.088 1.036 0.738 0.750 0.500 CB 1.461 13 residues pruned to eliminate duplicates Z: 14 24.489 2.233 0.791 0.774 0.846 0.538 CB 1.575 14 residues pruned to eliminate duplicates Z: 16 33.259 2.161 0.841 0.852 1.000 0.533 CB 1.596 16 residues pruned to eliminate duplicates Z: 10 14.935 1.885 0.840 0.658 0.889 0.778 CB 1.395 Z: 7 6.725 1.850 0.671 0.498 0.833 0.500 CB 1.068 6 residues pruned to eliminate duplicates Z: 25 28.038 2.346 0.933 0.417 0.833 0.458 CB 1.651 28 residues pruned to eliminate duplicates Z: 14 11.067 1.978 0.726 0.343 0.846 0.538 CB 1.260 14 residues pruned to eliminate duplicates Z: 23 50.190 2.409 0.992 0.884 0.955 0.773 CB 1.688 23 residues pruned to eliminate duplicates Z: 21 40.996 2.273 1.034 0.886 0.850 0.650 CA 1.683 21 residues pruned to eliminate duplicates Z: 10 23.224 2.289 0.730 0.840 0.889 0.667 CB 1.641 10 residues pruned to eliminate duplicates Z: 17 18.752 1.925 1.048 0.452 0.938 0.562 CB 1.331 20 residues pruned to eliminate duplicates Z: 16 25.080 2.079 0.625 0.940 0.933 0.733 CB 1.426 16 residues pruned to eliminate duplicates Z: 13 15.952 2.075 0.137 0.917 1.000 0.917 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 31.707 2.126 0.843 0.920 1.000 0.667 CA 1.645 13 residues pruned to eliminate duplicates Z: 21 36.763 2.223 0.688 0.899 1.000 0.700 CB 1.566 20 residues pruned to eliminate duplicates Z: 17 28.114 1.939 0.910 0.897 1.000 0.688 CB 1.359 17 residues pruned to eliminate duplicates Z: 15 29.535 2.213 0.954 0.819 0.929 0.714 CB 1.491 14 residues pruned to eliminate duplicates Z: 16 23.648 1.947 0.543 0.914 0.933 0.800 CA 1.540 16 residues pruned to eliminate duplicates Z: 14 33.627 2.306 1.045 0.927 1.000 1.000 CB 1.386 Z: 15 24.436 2.091 0.525 0.929 1.000 0.857 CB 1.434 15 residues pruned to eliminate duplicates Z: 8 18.098 1.930 1.190 0.670 0.857 0.571 CB 1.613 8 residues pruned to eliminate duplicates Z: 64 55.701 2.264 0.875 0.593 0.937 0.714 CB 1.615 63 residues pruned to eliminate duplicates Z: 30 20.960 2.058 0.700 0.487 0.862 0.552 CB 1.308 30 residues pruned to eliminate duplicates Z: 56 39.897 2.201 0.759 0.522 0.891 0.636 CB 1.526 56 residues pruned to eliminate duplicates Z: 14 26.439 2.159 0.769 0.934 1.000 0.846 CB 1.339 14 residues pruned to eliminate duplicates Z: 49 35.416 2.109 0.857 0.597 0.917 0.625 CB 1.298 49 residues pruned to eliminate duplicates Z: 39 44.098 2.246 0.664 0.870 0.921 0.816 CB 1.518 39 residues pruned to eliminate duplicates Z: 66 39.113 2.070 0.811 0.671 0.892 0.662 CB 1.238 66 residues pruned to eliminate duplicates Z: 26 16.981 1.784 0.756 0.543 0.920 0.720 CB 1.130 11 residues pruned to eliminate duplicates Z: 43 35.063 2.135 0.902 0.583 0.929 0.548 CB 1.324 43 residues pruned to eliminate duplicates Z: 23 19.933 2.255 0.877 0.397 0.727 0.364 CB 1.539 23 residues pruned to eliminate duplicates Z: 15 28.996 2.047 0.984 0.931 1.000 0.857 CB 1.333 15 residues pruned to eliminate duplicates Z: 17 26.005 1.928 0.748 0.933 1.000 0.938 CB 1.346 17 residues pruned to eliminate duplicates Z: 16 25.219 2.074 0.653 0.817 0.933 0.600 CB 1.545 16 residues pruned to eliminate duplicates Z: 21 39.330 2.182 0.941 0.924 0.950 0.700 CB 1.535 21 residues pruned to eliminate duplicates Z: 15 28.388 2.028 0.882 0.930 1.000 0.714 CB 1.390 15 residues pruned to eliminate duplicates Z: 30 42.485 2.381 1.055 0.574 0.931 0.759 CB 1.613 30 residues pruned to eliminate duplicates Z: 34 28.031 2.177 0.860 0.555 0.909 0.788 CB 1.257 34 residues pruned to eliminate duplicates Z: 17 16.221 1.951 0.101 0.901 1.000 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 8 12.930 1.969 1.044 0.618 0.714 0.571 CA 1.521 8 residues pruned to eliminate duplicates Z: 12 34.143 2.449 0.823 0.827 1.000 0.818 CA 1.738 12 residues pruned to eliminate duplicates Z: 6 5.289 2.048 0.379 0.489 0.600 0.600 CA 1.412 6 residues pruned to eliminate duplicates Z: 36 32.769 2.079 0.895 0.602 0.886 0.657 CB 1.440 36 residues pruned to eliminate duplicates Z: 8 8.546 1.726 0.570 0.826 0.714 0.571 CB 1.258 8 residues pruned to eliminate duplicates Z: 94 49.015 2.137 0.911 0.555 0.871 0.591 CB 1.354 94 residues pruned to eliminate duplicates Z: 35 28.599 2.189 0.821 0.561 0.853 0.529 CB 1.360 35 residues pruned to eliminate duplicates Z: 43 30.381 2.030 0.841 0.567 0.881 0.714 CB 1.334 43 residues pruned to eliminate duplicates Z: 12 12.687 1.974 0.863 0.902 1.000 0.636 CB 0.742 Z: 15 30.305 2.080 0.839 0.944 1.000 0.929 CB 1.466 15 residues pruned to eliminate duplicates Z: 12 23.854 1.970 1.010 0.629 1.000 0.818 CB 1.608 14 residues pruned to eliminate duplicates Z: 41 39.232 2.224 0.780 0.577 0.925 0.725 CB 1.572 58 residues pruned to eliminate duplicates Z: 14 21.348 2.157 0.742 0.600 0.923 0.462 CB 1.552 14 residues pruned to eliminate duplicates Z: 18 27.118 1.948 0.743 0.909 0.941 0.882 CB 1.461 18 residues pruned to eliminate duplicates Z: 56 48.369 2.164 1.005 0.602 0.909 0.673 CB 1.500 63 residues pruned to eliminate duplicates Z: 15 22.755 2.108 0.451 0.928 1.000 0.929 CB 1.392 15 residues pruned to eliminate duplicates Z: 39 30.733 2.055 0.923 0.615 0.842 0.684 CB 1.343 37 residues pruned to eliminate duplicates Z: 19 12.733 1.991 0.688 0.470 0.833 0.500 CB 1.104 19 residues pruned to eliminate duplicates Z: 16 32.350 2.137 0.886 0.838 1.000 0.800 CB 1.549 16 residues pruned to eliminate duplicates Z: 55 45.080 2.222 0.769 0.618 0.944 0.648 CB 1.477 55 residues pruned to eliminate duplicates Z: 33 34.236 2.097 0.746 0.851 0.906 0.750 CB 1.350 33 residues pruned to eliminate duplicates Z: 30 46.355 2.286 1.057 0.643 1.000 0.655 CB 1.601 28 residues pruned to eliminate duplicates Z: 19 11.793 1.808 0.268 0.772 0.889 0.667 CB 1.072 19 residues pruned to eliminate duplicates Z: 20 20.200 1.870 0.811 0.537 1.000 0.632 CB 1.320 14 residues pruned to eliminate duplicates Z: 10 25.904 2.166 0.729 0.904 1.000 0.778 CB 1.642 10 residues pruned to eliminate duplicates Z: 17 33.404 1.998 1.096 0.932 1.000 0.500 CB 1.392 17 residues pruned to eliminate duplicates Z: 92 55.494 2.185 0.952 0.565 0.901 0.626 CB 1.421 92 residues pruned to eliminate duplicates Z: 14 28.486 2.236 1.013 0.794 0.923 0.692 CB 1.470 14 residues pruned to eliminate duplicates Z: 24 30.897 2.282 0.723 0.679 0.913 0.739 CB 1.522 24 residues pruned to eliminate duplicates Z: 17 28.974 1.967 0.756 0.947 1.000 0.812 CB 1.449 17 residues pruned to eliminate duplicates Z: 38 55.445 2.293 0.933 0.860 0.946 0.703 CB 1.598 38 residues pruned to eliminate duplicates Z: 11 10.985 1.857 0.702 0.588 0.900 0.600 CB 1.123 Z: 15 21.972 2.010 0.697 0.931 1.000 0.929 CB 1.203 15 residues pruned to eliminate duplicates Z: 15 46.447 2.337 1.349 0.897 1.000 0.929 CB 1.619 15 residues pruned to eliminate duplicates Z: 17 32.274 2.004 1.022 0.923 1.000 0.938 CB 1.399 17 residues pruned to eliminate duplicates Z: 97 50.455 2.103 0.875 0.555 0.917 0.625 CB 1.351 74 residues pruned to eliminate duplicates Z: 13 23.767 2.109 0.459 0.859 1.000 0.750 CA 1.640 13 residues pruned to eliminate duplicates Z: 13 13.289 1.868 0.816 0.899 1.000 0.917 CB 0.808 13 residues pruned to eliminate duplicates Z: 16 15.816 1.857 0.541 0.833 1.000 0.667 CB 1.070 16 residues pruned to eliminate duplicates Z: 6 11.267 2.141 0.879 0.493 0.800 0.800 CA 1.577 6 residues pruned to eliminate duplicates Z: 15 43.740 2.337 1.157 0.926 0.929 0.929 CA 1.752 15 residues pruned to eliminate duplicates Z: 38 34.023 2.185 1.019 0.529 0.892 0.541 CB 1.381 38 residues pruned to eliminate duplicates Z: 25 21.678 2.215 0.983 0.415 0.833 0.500 CB 1.321 25 residues pruned to eliminate duplicates Z: 16 20.552 1.913 0.377 0.943 0.933 0.933 CA 1.495 16 residues pruned to eliminate duplicates Z: 16 13.369 1.790 0.397 0.806 0.933 0.733 CB 1.132 16 residues pruned to eliminate duplicates Z: 16 14.121 1.884 0.566 0.818 0.933 0.733 CB 1.005 16 residues pruned to eliminate duplicates Z: 18 13.561 1.764 0.810 0.460 0.824 0.471 CB 1.303 18 residues pruned to eliminate duplicates Z: 26 20.397 2.081 0.817 0.464 0.920 0.560 CB 1.217 26 residues pruned to eliminate duplicates Z: 34 31.922 2.117 0.946 0.468 0.879 0.667 CB 1.585 34 residues pruned to eliminate duplicates Z: 15 12.475 1.934 0.513 0.425 0.929 0.786 CB 1.326 11 residues pruned to eliminate duplicates Z: 39 36.056 2.178 0.861 0.588 0.895 0.474 CB 1.483 39 residues pruned to eliminate duplicates Z: 15 33.635 2.329 0.939 0.655 1.000 0.571 CA 1.723 15 residues pruned to eliminate duplicates Z: 17 28.621 2.024 0.689 0.932 1.000 0.875 CA 1.461 17 residues pruned to eliminate duplicates Z: 14 11.397 1.963 0.691 0.364 0.769 0.538 CA 1.432 14 residues pruned to eliminate duplicates Z: 18 28.892 1.963 0.880 0.923 1.000 0.706 CB 1.334 18 residues pruned to eliminate duplicates Z: 7 11.928 1.851 0.733 0.857 0.833 0.667 CA 1.343 8 residues pruned to eliminate duplicates Z: 7 7.260 1.698 0.264 0.840 1.000 0.833 CB 1.031 6 residues pruned to eliminate duplicates Z: 13 35.705 2.440 0.790 0.932 1.000 1.000 CB 1.649 14 residues pruned to eliminate duplicates Z: 16 27.842 2.187 0.740 0.846 1.000 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 20 49.979 2.335 1.098 0.889 0.947 0.579 CA 1.779 20 residues pruned to eliminate duplicates Z: 13 5.945 1.631 0.379 0.272 0.750 0.333 CA 1.319 13 residues pruned to eliminate duplicates Z: 14 24.243 2.140 1.232 0.580 0.846 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 12 7.202 1.779 0.524 0.360 0.818 0.545 CB 1.139 12 residues pruned to eliminate duplicates Z: 98 53.637 2.100 0.905 0.573 0.918 0.598 CB 1.382 97 residues pruned to eliminate duplicates Z: 10 15.175 1.842 0.873 0.703 0.889 0.667 CB 1.371 11 residues pruned to eliminate duplicates Z: 28 34.092 2.338 0.904 0.460 0.926 0.593 CB 1.658 28 residues pruned to eliminate duplicates Z: 19 21.544 1.890 0.901 0.566 1.000 0.722 CB 1.325 20 residues pruned to eliminate duplicates Z: 16 27.478 1.990 0.814 0.929 1.000 0.600 CB 1.376 15 residues pruned to eliminate duplicates Z: 14 14.717 2.090 0.706 0.389 0.923 0.615 CB 1.395 18 residues pruned to eliminate duplicates Z: 21 36.790 2.214 0.968 0.899 0.950 0.750 CB 1.420 21 residues pruned to eliminate duplicates Z: 16 19.276 2.033 0.303 0.919 0.933 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 30 25.129 2.235 0.983 0.353 0.828 0.414 CB 1.491 30 residues pruned to eliminate duplicates Z: 19 28.281 1.905 0.711 0.932 1.000 0.944 CA 1.428 19 residues pruned to eliminate duplicates Z: 9 12.797 1.994 0.652 0.504 0.875 0.625 CA 1.563 9 residues pruned to eliminate duplicates Z: 58 40.123 2.204 0.980 0.506 0.860 0.474 CB 1.408 58 residues pruned to eliminate duplicates Z: 22 19.558 1.907 0.850 0.484 0.952 0.619 CB 1.291 22 residues pruned to eliminate duplicates Z: 107 58.365 2.211 0.777 0.582 0.925 0.613 CB 1.443 107 residues pruned to eliminate duplicates Z: 10 12.854 2.018 0.792 0.906 1.000 0.667 CB 0.842 10 residues pruned to eliminate duplicates Z: 38 27.676 2.060 0.683 0.585 0.865 0.730 CB 1.398 38 residues pruned to eliminate duplicates Z: 29 34.091 2.276 0.734 0.590 0.893 0.643 CB 1.678 29 residues pruned to eliminate duplicates Z: 13 26.005 2.086 0.966 0.758 1.000 0.583 CB 1.456 13 residues pruned to eliminate duplicates Z: 15 24.573 2.023 0.555 0.892 0.929 0.857 CA 1.615 15 residues pruned to eliminate duplicates Z: 16 18.665 2.102 0.734 0.558 1.000 0.467 CB 1.250 Z: 33 26.888 2.106 0.958 0.534 0.938 0.531 CB 1.190 36 residues pruned to eliminate duplicates Z: 9 15.929 1.995 0.904 0.806 0.875 0.500 CB 1.298 9 residues pruned to eliminate duplicates Z: 62 40.044 2.121 0.815 0.584 0.934 0.590 CB 1.315 61 residues pruned to eliminate duplicates Z: 8 12.815 1.784 0.596 0.879 1.000 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 28 26.991 2.189 0.968 0.423 0.815 0.556 CB 1.602 28 residues pruned to eliminate duplicates Z: 35 27.307 2.051 0.997 0.555 0.853 0.588 CB 1.271 35 residues pruned to eliminate duplicates Z: 39 40.032 2.233 0.577 0.857 0.868 0.658 CB 1.565 39 residues pruned to eliminate duplicates Z: 25 35.925 2.378 1.004 0.481 0.917 0.500 CB 1.710 25 residues pruned to eliminate duplicates Z: 21 49.231 2.305 1.043 0.902 0.950 0.800 CA 1.756 21 residues pruned to eliminate duplicates Z: 30 36.134 2.124 0.904 0.681 0.966 0.690 CB 1.455 21 residues pruned to eliminate duplicates Z: 14 32.333 2.246 0.993 0.841 1.000 0.538 CB 1.493 14 residues pruned to eliminate duplicates Z: 38 34.493 2.083 0.902 0.640 0.919 0.703 CB 1.365 38 residues pruned to eliminate duplicates Z: 36 29.917 2.129 0.649 0.585 0.914 0.686 CB 1.452 36 residues pruned to eliminate duplicates Z: 6 3.047 1.707 0.393 0.463 0.600 0.400 CA 0.992 Z: 10 18.721 1.918 0.741 0.908 1.000 0.889 CB 1.327 10 residues pruned to eliminate duplicates Z: 14 21.150 2.116 0.552 0.871 0.846 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 10 5.410 1.839 -0.023 0.520 0.889 0.667 CB 1.106 Z: 15 12.065 1.975 0.523 0.392 0.929 0.786 CB 1.294 15 residues pruned to eliminate duplicates Z: 11 32.604 2.198 1.116 0.767 1.000 0.800 CB 1.750 11 residues pruned to eliminate duplicates Z: 16 32.077 2.025 0.919 0.944 1.000 1.000 CB 1.476 16 residues pruned to eliminate duplicates Z: 20 24.725 2.158 0.894 0.564 0.947 0.474 CB 1.377 20 residues pruned to eliminate duplicates Z: 61 52.401 2.262 0.941 0.561 0.900 0.683 CB 1.614 61 residues pruned to eliminate duplicates Z: 17 25.831 1.910 0.882 0.938 1.000 0.812 CB 1.248 17 residues pruned to eliminate duplicates Z: 10 17.022 1.870 0.928 0.660 0.889 0.667 CB 1.526 10 residues pruned to eliminate duplicates Z: 8 5.599 1.732 -0.045 0.587 0.857 0.714 CB 1.373 11 residues pruned to eliminate duplicates Z: 9 4.391 1.825 0.506 0.218 0.625 0.500 CB 1.258 9 residues pruned to eliminate duplicates Z: 21 49.880 2.336 1.046 0.912 0.950 0.900 CB 1.740 21 residues pruned to eliminate duplicates Z: 33 36.507 2.255 0.959 0.575 0.875 0.719 CB 1.553 33 residues pruned to eliminate duplicates Z: 13 22.411 2.177 1.002 0.495 1.000 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 17 32.155 1.962 0.952 0.931 1.000 0.812 CB 1.467 17 residues pruned to eliminate duplicates Z: 7 14.798 2.030 0.891 0.510 1.000 0.667 CB 1.558 7 residues pruned to eliminate duplicates Z: 12 30.880 2.423 0.983 0.805 1.000 0.727 CA 1.485 12 residues pruned to eliminate duplicates Z: 10 10.285 1.825 0.565 0.769 0.778 0.556 CB 1.217 10 residues pruned to eliminate duplicates Z: 32 19.340 2.009 0.405 0.476 0.871 0.645 CB 1.448 32 residues pruned to eliminate duplicates Z: 28 37.449 2.266 0.691 0.878 0.926 0.889 CB 1.474 28 residues pruned to eliminate duplicates Z: 9 9.656 2.023 0.651 0.423 1.000 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 11 7.102 1.936 0.692 0.376 0.800 0.700 CB 0.977 Z: 20 23.691 1.873 0.979 0.599 1.000 0.789 CB 1.335 19 residues pruned to eliminate duplicates Z: 16 28.579 1.990 0.892 0.944 1.000 0.667 CB 1.358 16 residues pruned to eliminate duplicates Z: 12 29.405 2.216 0.789 0.854 1.000 1.000 CA 1.652 12 residues pruned to eliminate duplicates Z: 13 22.249 2.061 0.698 0.890 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 29 37.699 2.337 0.967 0.538 0.929 0.571 CB 1.607 29 residues pruned to eliminate duplicates Z: 30 29.796 2.264 0.668 0.612 0.966 0.586 CB 1.365 30 residues pruned to eliminate duplicates Z: 18 17.115 2.036 0.761 0.573 0.882 0.647 CB 1.223 6 residues pruned to eliminate duplicates Z: 7 11.821 2.123 0.613 0.627 0.833 0.667 CA 1.501 7 residues pruned to eliminate duplicates Z: 57 52.197 2.282 0.863 0.626 0.964 0.589 CB 1.511 57 residues pruned to eliminate duplicates Z: 18 31.647 1.961 1.062 0.917 0.941 0.824 CB 1.423 18 residues pruned to eliminate duplicates Z: 38 29.607 2.081 0.957 0.540 0.865 0.649 CB 1.328 38 residues pruned to eliminate duplicates Z: 8 4.986 1.676 0.273 0.546 0.714 0.571 CB 1.181 8 residues pruned to eliminate duplicates Z: 38 44.960 2.218 1.113 0.608 0.919 0.595 CB 1.549 51 residues pruned to eliminate duplicates Z: 74 51.973 2.240 1.026 0.580 0.863 0.548 CB 1.439 74 residues pruned to eliminate duplicates Z: 12 17.356 2.041 0.864 0.899 1.000 0.818 CB 0.983 12 residues pruned to eliminate duplicates Z: 16 39.157 2.203 1.078 0.874 0.933 0.800 CA 1.723 16 residues pruned to eliminate duplicates Z: 15 14.203 1.980 0.910 0.542 0.786 0.643 CB 1.226 15 residues pruned to eliminate duplicates Z: 24 18.437 1.782 0.749 0.573 0.870 0.435 CB 1.322 24 residues pruned to eliminate duplicates Z: 17 13.248 1.788 0.402 0.819 0.938 0.688 CB 1.068 17 residues pruned to eliminate duplicates Z: 7 7.966 1.733 0.360 0.859 1.000 0.667 CB 1.016 7 residues pruned to eliminate duplicates Z: 14 36.687 2.236 0.940 0.861 1.000 0.846 CB 1.724 14 residues pruned to eliminate duplicates Z: 25 21.904 2.061 0.691 0.534 0.917 0.708 CB 1.354 25 residues pruned to eliminate duplicates Z: 24 23.914 2.112 0.917 0.572 0.913 0.565 CB 1.258 24 residues pruned to eliminate duplicates Z: 8 6.168 1.410 0.786 0.829 0.857 0.857 N 0.813 Z: 47 29.764 2.144 0.715 0.507 0.935 0.500 CB 1.268 47 residues pruned to eliminate duplicates Z: 13 15.976 1.877 0.460 0.937 1.000 0.917 CB 1.171 Z: 60 47.451 2.110 1.053 0.656 0.898 0.678 CB 1.374 60 residues pruned to eliminate duplicates Z: 15 19.747 2.069 0.784 0.399 1.000 0.714 CB 1.590 15 residues pruned to eliminate duplicates Z: 16 13.586 1.890 0.756 0.429 0.800 0.467 CA 1.422 16 residues pruned to eliminate duplicates Z: 9 20.944 2.035 1.231 0.596 0.875 0.750 CB 1.702 9 residues pruned to eliminate duplicates Z: 18 18.130 2.027 0.943 0.478 0.765 0.471 CB 1.493 18 residues pruned to eliminate duplicates Z: 13 16.774 1.768 0.826 0.922 1.000 0.667 CB 1.055 12 residues pruned to eliminate duplicates Z: 22 19.123 1.925 0.610 0.496 0.952 0.667 CB 1.419 21 residues pruned to eliminate duplicates Z: 16 27.126 2.097 0.907 0.818 0.933 0.667 CB 1.423 16 residues pruned to eliminate duplicates Z: 24 25.290 2.093 0.885 0.663 0.957 0.609 CB 1.201 24 residues pruned to eliminate duplicates Z: 15 13.729 1.974 0.568 0.375 0.929 0.714 CA 1.459 15 residues pruned to eliminate duplicates Z: 39 35.294 2.202 0.951 0.550 0.895 0.632 CB 1.419 39 residues pruned to eliminate duplicates Z: 28 37.566 2.201 0.942 0.630 1.000 0.630 CB 1.497 28 residues pruned to eliminate duplicates Z: 13 21.628 2.257 0.899 0.456 0.917 0.500 CB 1.662 13 residues pruned to eliminate duplicates Z: 6 2.674 1.769 -0.391 0.735 1.000 1.000 CB 0.899 Z: 56 40.386 2.056 0.908 0.538 0.927 0.545 CB 1.442 56 residues pruned to eliminate duplicates Z: 14 32.377 2.256 0.962 0.848 1.000 0.769 CB 1.505 14 residues pruned to eliminate duplicates Z: 20 40.902 2.242 0.908 0.927 1.000 0.684 CB 1.537 20 residues pruned to eliminate duplicates Z: 16 18.764 2.225 0.802 0.426 0.933 0.600 CB 1.399 17 residues pruned to eliminate duplicates Z: 43 32.975 2.026 0.989 0.616 0.881 0.571 CB 1.285 43 residues pruned to eliminate duplicates Z: 14 24.830 1.968 0.943 0.899 0.923 0.692 CB 1.394 14 residues pruned to eliminate duplicates Z: 25 34.838 2.118 1.129 0.612 0.917 0.667 CB 1.547 25 residues pruned to eliminate duplicates Z: 30 39.358 2.273 0.920 0.618 0.897 0.621 CB 1.670 30 residues pruned to eliminate duplicates Z: 63 44.426 2.078 0.833 0.623 0.919 0.661 CB 1.434 63 residues pruned to eliminate duplicates Z: 14 15.028 1.795 0.421 0.932 1.000 0.846 CB 1.142 14 residues pruned to eliminate duplicates Z: 10 30.973 2.208 1.179 0.915 1.000 0.889 CA 1.517 10 residues pruned to eliminate duplicates Z: 16 14.673 1.787 0.768 0.645 0.867 0.800 CB 1.209 16 residues pruned to eliminate duplicates Z: 16 25.007 2.179 0.886 0.782 0.867 0.667 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 21.176 2.222 0.895 0.470 0.933 0.600 CB 1.434 15 residues pruned to eliminate duplicates Z: 81 53.161 2.151 1.029 0.571 0.913 0.562 CB 1.394 81 residues pruned to eliminate duplicates Z: 14 10.652 1.903 0.382 0.425 1.000 0.615 CB 1.215 14 residues pruned to eliminate duplicates Z: 10 7.779 1.800 0.625 0.429 0.889 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 9 11.808 2.060 1.027 0.516 0.750 0.625 CB 1.312 9 residues pruned to eliminate duplicates Z: 9 22.438 2.215 0.999 0.734 1.000 0.875 CB 1.451 9 residues pruned to eliminate duplicates Z: 45 33.117 2.020 0.959 0.627 0.955 0.636 CB 1.173 45 residues pruned to eliminate duplicates Z: 37 22.075 2.071 0.713 0.438 0.833 0.528 CB 1.327 37 residues pruned to eliminate duplicates Z: 17 27.657 1.982 0.756 0.926 1.000 0.688 CB 1.393 17 residues pruned to eliminate duplicates Z: 19 11.781 1.902 0.651 0.436 0.833 0.611 CB 1.134 19 residues pruned to eliminate duplicates Z: 23 27.336 2.283 0.818 0.607 0.864 0.682 CB 1.469 23 residues pruned to eliminate duplicates Z: 21 31.669 2.204 0.746 0.911 0.950 0.750 CB 1.373 21 residues pruned to eliminate duplicates Z: 9 16.181 2.360 0.233 0.827 1.000 0.625 CB 1.481 9 residues pruned to eliminate duplicates Z: 15 27.965 2.207 0.900 0.822 0.929 0.429 CB 1.452 15 residues pruned to eliminate duplicates Z: 18 29.741 1.937 0.891 0.918 1.000 0.765 CB 1.388 18 residues pruned to eliminate duplicates Z: 16 20.115 2.196 1.037 0.471 0.867 0.467 CB 1.379 16 residues pruned to eliminate duplicates Z: 17 31.582 1.966 0.908 0.942 1.000 0.750 CB 1.459 17 residues pruned to eliminate duplicates Z: 12 21.173 2.138 0.741 0.913 0.909 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 30 19.164 1.926 0.881 0.450 0.897 0.586 CB 1.153 30 residues pruned to eliminate duplicates Z: 36 36.294 2.188 1.067 0.514 0.971 0.657 CB 1.376 36 residues pruned to eliminate duplicates Z: 26 45.600 2.346 0.960 0.684 0.960 0.760 CB 1.745 26 residues pruned to eliminate duplicates Z: 6 2.404 1.718 0.112 0.329 0.800 0.400 CB 0.848 Z: 10 7.159 1.775 0.885 0.341 0.889 0.667 CB 0.954 10 residues pruned to eliminate duplicates Z: 13 15.855 1.816 0.535 0.917 1.000 1.000 CB 1.158 13 residues pruned to eliminate duplicates Z: 14 24.852 1.865 1.096 0.929 0.923 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 8 22.436 1.979 1.398 0.853 1.000 1.000 N 1.320 Z: 15 30.638 2.243 0.579 0.926 1.000 0.857 CB 1.622 15 residues pruned to eliminate duplicates Z: 19 15.351 2.004 0.541 0.553 0.833 0.722 CB 1.335 19 residues pruned to eliminate duplicates Z: 14 11.629 1.967 0.601 0.379 0.923 0.769 CB 1.263 14 residues pruned to eliminate duplicates Z: 19 46.976 2.231 1.385 0.939 1.000 0.722 CB 1.447 19 residues pruned to eliminate duplicates Z: 16 11.621 1.936 0.611 0.404 0.800 0.533 CB 1.329 16 residues pruned to eliminate duplicates Z: 17 25.002 2.007 0.471 0.940 1.000 0.938 CB 1.470 17 residues pruned to eliminate duplicates Z: 9 4.113 1.853 0.108 0.259 0.750 0.625 CB 1.245 Z: 7 9.874 1.795 0.697 0.684 0.833 0.667 CA 1.342 7 residues pruned to eliminate duplicates Z: 27 24.177 1.954 0.958 0.597 0.962 0.615 CB 1.174 27 residues pruned to eliminate duplicates Z: 13 18.836 2.120 0.739 0.482 0.917 0.667 CA 1.639 13 residues pruned to eliminate duplicates Z: 19 26.389 2.153 0.700 0.788 1.000 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 6 5.910 1.518 0.556 0.460 1.000 0.800 CB 1.165 6 residues pruned to eliminate duplicates Z: 27 26.303 2.271 0.774 0.437 0.808 0.346 CB 1.692 27 residues pruned to eliminate duplicates Z: 16 29.948 2.149 0.736 0.847 1.000 0.667 CB 1.538 16 residues pruned to eliminate duplicates Z: 23 22.399 2.164 0.850 0.414 0.864 0.500 CB 1.510 23 residues pruned to eliminate duplicates Z: 18 18.333 1.972 0.857 0.488 0.882 0.647 CB 1.394 17 residues pruned to eliminate duplicates Z: 15 10.825 1.808 0.302 0.809 0.929 0.500 CB 1.010 15 residues pruned to eliminate duplicates Z: 17 30.253 1.985 0.865 0.923 1.000 0.875 CB 1.435 17 residues pruned to eliminate duplicates Z: 33 38.080 2.280 1.047 0.481 0.875 0.688 CB 1.680 33 residues pruned to eliminate duplicates Z: 23 45.238 2.369 0.927 0.858 0.955 0.818 CB 1.630 23 residues pruned to eliminate duplicates Z: 13 21.450 2.134 0.534 0.881 0.917 0.833 CA 1.495 13 residues pruned to eliminate duplicates Z: 8 6.538 1.730 0.300 0.569 0.857 0.571 CA 1.199 8 residues pruned to eliminate duplicates Z: 7 4.392 1.768 0.036 0.702 0.833 0.833 CB 0.978 Z: 38 37.710 2.222 0.938 0.615 0.919 0.649 CB 1.405 38 residues pruned to eliminate duplicates Z: 11 18.400 1.909 0.772 0.711 1.000 0.700 CB 1.421 11 residues pruned to eliminate duplicates Z: 20 25.287 2.030 0.847 0.581 1.000 0.579 CB 1.432 20 residues pruned to eliminate duplicates Z: 12 27.540 2.417 0.940 0.773 0.818 0.545 CA 1.700 12 residues pruned to eliminate duplicates Z: 24 39.355 2.320 1.011 0.613 0.957 0.696 CB 1.652 24 residues pruned to eliminate duplicates Z: 8 6.650 1.720 0.541 0.277 0.857 0.429 CA 1.423 8 residues pruned to eliminate duplicates Z: 30 38.439 2.358 1.011 0.541 0.897 0.586 CB 1.613 30 residues pruned to eliminate duplicates Z: 13 12.411 1.669 1.051 0.477 0.917 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 15 16.628 1.774 0.664 0.940 1.000 0.857 CB 1.045 14 residues pruned to eliminate duplicates Z: 10 13.430 1.955 0.445 0.820 1.000 0.667 CA 1.201 10 residues pruned to eliminate duplicates Z: 15 12.138 1.762 0.236 0.909 1.000 1.000 CB 1.057 15 residues pruned to eliminate duplicates Z: 15 30.882 2.223 1.153 0.809 0.857 0.214 CB 1.538 15 residues pruned to eliminate duplicates Z: 52 36.231 2.057 0.727 0.680 0.902 0.706 CB 1.342 52 residues pruned to eliminate duplicates Z: 6 2.667 1.567 0.227 0.593 0.600 0.600 C 0.946 Z: 7 4.904 1.557 0.594 0.500 0.833 0.667 C 0.969 7 residues pruned to eliminate duplicates Z: 31 36.275 2.344 0.910 0.449 0.933 0.400 CB 1.669 32 residues pruned to eliminate duplicates Z: 17 24.531 1.916 0.605 0.899 1.000 0.875 CB 1.425 17 residues pruned to eliminate duplicates Z: 18 32.869 1.976 0.951 0.933 1.000 0.765 CB 1.442 18 residues pruned to eliminate duplicates Z: 27 44.476 2.375 1.017 0.688 0.885 0.731 CB 1.733 27 residues pruned to eliminate duplicates Z: 13 22.543 1.981 1.076 0.639 1.000 0.833 CA 1.390 13 residues pruned to eliminate duplicates Z: 30 20.824 1.855 0.566 0.670 0.897 0.517 CB 1.269 30 residues pruned to eliminate duplicates Z: 15 32.299 2.257 1.092 0.862 1.000 0.571 CB 1.342 15 residues pruned to eliminate duplicates Z: 13 24.631 2.291 0.766 0.776 0.917 0.667 CA 1.503 13 residues pruned to eliminate duplicates Z: 13 13.507 1.935 0.184 0.854 0.917 0.833 CA 1.371 13 residues pruned to eliminate duplicates Z: 12 12.959 1.911 0.686 0.460 0.909 0.636 CA 1.389 12 residues pruned to eliminate duplicates Z: 15 22.188 1.866 0.806 0.865 1.000 0.571 CB 1.289 15 residues pruned to eliminate duplicates Z: 67 48.733 2.182 0.923 0.608 0.924 0.576 CB 1.396 67 residues pruned to eliminate duplicates Z: 31 24.919 2.163 0.753 0.616 0.833 0.567 CB 1.290 31 residues pruned to eliminate duplicates Z: 63 39.525 2.159 0.724 0.626 0.887 0.629 CB 1.350 67 residues pruned to eliminate duplicates Z: 6 3.344 1.651 0.376 0.443 0.600 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 22 30.467 2.216 0.893 0.590 0.952 0.524 CB 1.527 22 residues pruned to eliminate duplicates Z: 18 35.887 2.242 1.022 0.772 0.941 0.647 CB 1.604 18 residues pruned to eliminate duplicates Z: 13 30.162 2.036 1.128 0.937 1.000 0.583 CB 1.398 13 residues pruned to eliminate duplicates Z: 18 25.054 1.944 0.658 0.938 1.000 0.941 CB 1.310 18 residues pruned to eliminate duplicates Z: 17 15.010 1.829 0.577 0.827 0.938 0.562 CB 1.045 17 residues pruned to eliminate duplicates Z: 29 23.693 2.223 0.805 0.382 0.821 0.321 CB 1.542 29 residues pruned to eliminate duplicates Z: 19 23.035 1.941 0.886 0.527 1.000 0.722 CB 1.444 19 residues pruned to eliminate duplicates Z: 12 20.423 2.207 0.457 0.839 0.909 0.818 CB 1.574 12 residues pruned to eliminate duplicates Z: 6 3.964 1.351 0.239 0.437 1.000 0.600 CB 1.131 7 1.848 1.806 -0.454 0.628 0.833 0.667 CB 0.814 ? Z: 20 12.899 1.845 0.810 0.420 0.842 0.579 CB 1.143 20 residues pruned to eliminate duplicates Z: 15 18.255 1.923 1.116 0.618 0.929 0.643 CB 1.155 18 residues pruned to eliminate duplicates Z: 17 32.656 1.979 0.989 0.924 1.000 0.812 CB 1.456 17 residues pruned to eliminate duplicates Z: 15 43.929 2.281 1.290 0.905 1.000 0.786 CA 1.601 15 residues pruned to eliminate duplicates Z: 15 20.740 2.142 0.809 0.822 0.857 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 6 4.772 1.439 0.983 0.542 0.800 0.600 CB 0.897 Z: 47 44.068 2.209 0.928 0.564 0.978 0.630 CB 1.465 47 residues pruned to eliminate duplicates Z: 17 27.933 1.874 0.811 0.932 1.000 0.812 CB 1.436 17 residues pruned to eliminate duplicates Z: 19 36.671 2.253 0.948 0.920 0.944 0.611 CB 1.468 19 residues pruned to eliminate duplicates Z: 48 29.507 2.008 0.916 0.523 0.915 0.468 CB 1.195 48 residues pruned to eliminate duplicates Z: 25 23.965 2.070 0.761 0.469 0.958 0.458 CB 1.446 25 residues pruned to eliminate duplicates Z: 31 27.112 2.160 1.010 0.560 0.833 0.500 CB 1.290 31 residues pruned to eliminate duplicates Z: 8 15.220 2.181 0.853 0.554 1.000 0.429 CA 1.351 8 residues pruned to eliminate duplicates Z: 20 34.462 2.189 0.799 0.905 1.000 0.684 CB 1.430 20 residues pruned to eliminate duplicates Z: 27 18.254 2.006 0.595 0.529 0.923 0.692 CB 1.178 27 residues pruned to eliminate duplicates Z: 44 48.001 2.225 0.893 0.737 0.953 0.744 CB 1.473 44 residues pruned to eliminate duplicates Z: 16 13.391 1.868 0.527 0.844 0.867 0.667 CB 1.041 16 residues pruned to eliminate duplicates Z: 13 34.292 2.421 0.746 0.918 1.000 0.917 CB 1.651 Z: 18 23.872 1.841 0.849 0.849 0.882 0.765 CB 1.428 18 residues pruned to eliminate duplicates Z: 14 28.084 2.182 0.726 0.913 1.000 0.923 CB 1.463 14 residues pruned to eliminate duplicates Z: 10 24.929 1.919 1.332 0.726 1.000 0.889 CB 1.515 12 residues pruned to eliminate duplicates Z: 16 6.789 1.719 0.474 0.383 0.800 0.400 CB 0.979 6 residues pruned to eliminate duplicates Z: 100 57.749 2.189 0.979 0.567 0.899 0.606 CB 1.397 100 residues pruned to eliminate duplicates Z: 13 13.414 2.027 0.717 0.479 0.750 0.750 CA 1.514 13 residues pruned to eliminate duplicates Z: 16 12.490 1.798 0.547 0.830 0.867 0.800 CB 1.006 16 residues pruned to eliminate duplicates Z: 13 13.336 2.184 1.008 0.309 0.833 0.333 CB 1.303 13 residues pruned to eliminate duplicates Z: 37 42.024 2.238 1.023 0.507 0.917 0.667 CB 1.676 37 residues pruned to eliminate duplicates Z: 15 26.258 2.016 0.738 0.945 0.929 0.643 CB 1.493 15 residues pruned to eliminate duplicates Z: 29 24.756 2.115 0.797 0.487 0.821 0.429 CB 1.518 29 residues pruned to eliminate duplicates Z: 11 15.223 1.890 0.665 0.627 1.000 0.700 CB 1.357 14 residues pruned to eliminate duplicates Z: 17 22.279 2.311 0.839 0.449 0.875 0.562 CA 1.578 17 residues pruned to eliminate duplicates Z: 17 43.222 2.307 1.369 0.819 0.938 0.750 CB 1.599 17 residues pruned to eliminate duplicates Z: 60 33.898 1.969 0.903 0.572 0.932 0.627 CB 1.179 60 residues pruned to eliminate duplicates Z: 14 14.672 1.792 0.354 0.928 1.000 0.923 CB 1.174 15 residues pruned to eliminate duplicates Z: 38 29.851 2.181 0.728 0.530 0.919 0.595 CB 1.376 51 residues pruned to eliminate duplicates Z: 10 24.314 2.314 1.068 0.569 1.000 0.778 CB 1.584 16 residues pruned to eliminate duplicates Z: 34 23.422 2.044 0.646 0.535 0.939 0.636 CB 1.247 34 residues pruned to eliminate duplicates Z: 14 20.461 2.052 0.754 0.481 1.000 0.769 CB 1.607 14 residues pruned to eliminate duplicates Z: 8 2.316 1.178 0.514 0.667 0.857 0.571 C 0.491 Z: 16 26.396 1.944 0.923 0.754 1.000 0.400 CB 1.453 16 residues pruned to eliminate duplicates Z: 18 19.159 2.076 1.066 0.526 0.882 0.647 CB 1.197 14 residues pruned to eliminate duplicates Z: 16 23.266 2.080 0.876 0.792 0.800 0.400 CB 1.490 16 residues pruned to eliminate duplicates Z: 13 17.633 1.942 0.290 0.909 1.000 0.833 CB 1.442 13 residues pruned to eliminate duplicates Z: 97 53.974 2.166 0.862 0.560 0.906 0.552 CB 1.422 97 residues pruned to eliminate duplicates Z: 14 14.118 1.876 0.041 0.913 1.000 1.000 CA 1.418 14 residues pruned to eliminate duplicates 8 1.816 1.613 0.807 0.199 0.429 0.286 CA 0.786 ? Z: 6 3.016 1.551 0.101 0.485 1.000 0.600 CB 0.802 Z: 39 34.154 2.178 0.977 0.491 0.816 0.526 CB 1.591 39 residues pruned to eliminate duplicates Z: 8 12.372 1.877 0.600 0.622 0.857 0.571 CB 1.619 7 residues pruned to eliminate duplicates Z: 40 26.580 2.035 0.740 0.523 0.949 0.564 CB 1.238 40 residues pruned to eliminate duplicates Z: 30 23.566 2.046 0.817 0.499 0.931 0.655 CB 1.266 30 residues pruned to eliminate duplicates Z: 20 38.605 2.224 0.938 0.911 0.947 0.684 CB 1.538 20 residues pruned to eliminate duplicates Z: 29 24.593 2.135 0.665 0.428 0.893 0.464 CB 1.578 29 residues pruned to eliminate duplicates Z: 13 21.516 1.931 0.664 0.866 1.000 0.833 CA 1.415 13 residues pruned to eliminate duplicates Z: 26 25.893 2.184 0.814 0.617 0.840 0.720 CB 1.393 26 residues pruned to eliminate duplicates Z: 25 33.971 2.194 1.097 0.433 0.958 0.417 CB 1.686 25 residues pruned to eliminate duplicates Z: 13 15.359 1.796 0.793 0.508 1.000 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 6 5.577 1.473 0.398 0.656 1.000 0.400 CA 1.048 6 residues pruned to eliminate duplicates Z: 59 42.482 2.133 0.939 0.608 0.914 0.672 CB 1.333 59 residues pruned to eliminate duplicates Z: 34 30.729 2.112 0.828 0.609 0.909 0.758 CB 1.375 34 residues pruned to eliminate duplicates Z: 17 21.004 2.107 1.082 0.523 0.812 0.562 CB 1.440 17 residues pruned to eliminate duplicates Z: 14 37.519 2.363 1.050 0.903 1.000 0.769 CB 1.532 14 residues pruned to eliminate duplicates Z: 21 24.509 2.004 0.892 0.526 1.000 0.650 CB 1.409 21 residues pruned to eliminate duplicates Z: 16 6.102 1.778 0.390 0.391 0.667 0.333 CB 1.073 16 residues pruned to eliminate duplicates Z: 7 7.824 1.679 1.033 0.589 1.000 0.833 CB 0.859 Z: 16 27.874 1.899 0.767 0.924 1.000 0.933 CA 1.506 16 residues pruned to eliminate duplicates Z: 8 8.332 1.728 0.604 0.857 1.000 0.714 CB 0.838 8 residues pruned to eliminate duplicates Z: 18 14.023 1.749 0.776 0.575 0.882 0.706 CB 1.154 18 residues pruned to eliminate duplicates Z: 7 5.076 2.065 0.386 0.355 0.833 0.500 CB 1.016 7 residues pruned to eliminate duplicates Z: 8 4.589 1.643 0.793 0.410 0.857 0.571 CB 0.755 Z: 6 2.797 1.598 0.134 0.194 1.000 0.000 CA 0.995 6 residues pruned to eliminate duplicates Z: 8 5.492 1.573 0.019 0.682 0.857 0.571 O 1.278 Z: 8 7.399 1.818 0.582 0.634 1.000 0.857 CB 0.857 Z: 66 35.477 1.994 0.793 0.570 0.877 0.631 CB 1.312 66 residues pruned to eliminate duplicates Z: 29 40.227 2.253 1.028 0.675 0.929 0.821 CB 1.525 29 residues pruned to eliminate duplicates Z: 14 4.578 1.609 0.041 0.419 0.846 0.385 CB 0.975 7 residues pruned to eliminate duplicates Z: 18 20.622 2.133 0.784 0.595 0.765 0.588 CA 1.570 18 residues pruned to eliminate duplicates Z: 30 24.140 2.016 1.042 0.501 0.793 0.552 CA 1.372 30 residues pruned to eliminate duplicates Z: 36 35.296 2.055 0.803 0.859 0.914 0.714 CB 1.296 36 residues pruned to eliminate duplicates Z: 35 28.191 1.929 0.960 0.608 0.882 0.500 CB 1.308 35 residues pruned to eliminate duplicates Z: 29 27.350 2.201 0.755 0.453 0.821 0.536 CB 1.710 29 residues pruned to eliminate duplicates Z: 16 23.271 2.003 0.356 0.950 1.000 0.933 CB 1.526 16 residues pruned to eliminate duplicates Z: 12 20.372 2.034 0.794 0.860 1.000 0.909 CA 1.238 12 residues pruned to eliminate duplicates Z: 27 24.928 1.896 0.961 0.677 0.846 0.692 CB 1.320 27 residues pruned to eliminate duplicates Z: 19 14.213 1.860 0.693 0.763 0.833 0.556 CB 1.011 19 residues pruned to eliminate duplicates Z: 20 21.325 1.856 0.946 0.540 1.000 0.684 CB 1.302 20 residues pruned to eliminate duplicates Z: 13 11.641 2.212 0.553 0.329 0.917 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 9 3.075 1.552 0.056 0.475 0.750 0.500 CB 0.907 Z: 12 10.193 2.204 0.933 0.422 0.727 0.455 CB 1.076 12 residues pruned to eliminate duplicates Z: 9 5.408 1.960 0.524 0.170 0.750 0.375 CB 1.273 9 residues pruned to eliminate duplicates Z: 14 29.038 2.149 0.896 0.778 1.000 0.769 CA 1.546 14 residues pruned to eliminate duplicates Z: 8 2.310 1.639 0.068 0.576 0.714 0.571 CB 0.649 Z: 8 7.713 1.931 0.471 0.261 0.857 0.714 CA 1.573 8 residues pruned to eliminate duplicates Z: 11 15.220 2.012 0.894 0.888 1.000 0.800 CB 0.910 11 residues pruned to eliminate duplicates Z: 46 34.000 2.243 0.877 0.484 0.844 0.578 CB 1.449 46 residues pruned to eliminate duplicates Z: 6 3.789 1.557 0.405 0.440 0.600 0.400 CA 1.373 Z: 28 22.609 2.016 0.703 0.594 0.815 0.556 CB 1.422 28 residues pruned to eliminate duplicates Z: 18 9.240 1.910 0.653 0.318 0.824 0.294 CB 1.054 18 residues pruned to eliminate duplicates Z: 13 10.780 1.805 0.401 0.904 0.833 0.667 CB 1.052 13 residues pruned to eliminate duplicates Z: 8 8.132 1.716 0.187 0.737 0.857 0.571 CB 1.423 Z: 6 5.186 1.814 -0.048 0.566 1.000 0.600 CB 1.259 Z: 10 6.269 1.630 0.894 0.447 0.778 0.556 CB 0.919 10 residues pruned to eliminate duplicates Z: 22 25.784 2.105 1.012 0.582 0.857 0.524 CB 1.432 22 residues pruned to eliminate duplicates Z: 7 2.459 1.451 0.712 0.294 0.667 0.667 CB 0.764 Z: 13 18.350 1.933 0.790 0.532 1.000 0.667 CB 1.484 13 residues pruned to eliminate duplicates Z: 66 41.047 2.138 0.940 0.504 0.877 0.538 CB 1.394 66 residues pruned to eliminate duplicates Z: 6 6.360 1.550 0.538 0.831 1.000 1.000 CB 0.896 Z: 10 9.846 1.935 0.247 0.743 0.889 0.778 CA 1.231 10 residues pruned to eliminate duplicates Z: 14 17.460 1.791 1.109 0.458 0.923 0.538 CB 1.449 14 residues pruned to eliminate duplicates Z: 14 11.633 1.796 0.172 0.940 1.000 1.000 CB 1.065 14 residues pruned to eliminate duplicates Z: 27 13.680 1.928 0.703 0.434 0.808 0.538 CB 1.083 27 residues pruned to eliminate duplicates Z: 8 10.237 1.806 0.515 0.804 0.857 0.857 CB 1.265 8 residues pruned to eliminate duplicates Z: 38 53.852 2.290 0.938 0.862 0.946 0.676 CB 1.548 38 residues pruned to eliminate duplicates Z: 21 38.136 2.225 0.854 0.916 1.000 0.800 CB 1.460 21 residues pruned to eliminate duplicates Z: 46 35.341 2.119 0.693 0.688 0.933 0.667 CB 1.324 54 residues pruned to eliminate duplicates Z: 7 5.109 1.614 0.374 0.449 0.833 0.500 CA 1.189 Z: 6 11.243 1.786 0.805 0.617 1.000 0.600 CB 1.396 4 residues pruned to eliminate duplicates Z: 27 27.236 2.020 0.951 0.629 0.808 0.615 CA 1.487 27 residues pruned to eliminate duplicates Z: 57 52.178 2.104 1.110 0.635 0.946 0.482 CB 1.463 57 residues pruned to eliminate duplicates Z: 7 3.072 1.666 0.414 0.224 0.833 0.333 CB 0.882 Z: 15 19.647 1.990 0.583 0.896 0.929 0.286 CB 1.286 15 residues pruned to eliminate duplicates Z: 14 14.956 1.804 0.363 0.934 1.000 1.000 CB 1.177 14 residues pruned to eliminate duplicates Z: 16 17.126 1.935 0.729 0.772 0.933 0.667 CB 1.114 16 residues pruned to eliminate duplicates Z: 6 6.309 1.834 0.205 0.633 0.800 0.800 N 1.408 Z: 29 22.201 2.018 0.716 0.517 0.964 0.607 CB 1.235 29 residues pruned to eliminate duplicates Z: 73 50.183 2.186 1.040 0.560 0.903 0.500 CB 1.386 73 residues pruned to eliminate duplicates Z: 14 13.471 1.762 0.201 0.922 1.000 0.923 CB 1.241 14 residues pruned to eliminate duplicates Z: 16 22.168 2.012 0.449 0.920 1.000 0.867 CA 1.383 16 residues pruned to eliminate duplicates Z: 6 3.672 1.573 -0.053 0.656 0.800 0.600 CB 1.193 Z: 18 8.731 1.786 0.523 0.403 0.647 0.353 CB 1.333 18 residues pruned to eliminate duplicates Z: 35 30.296 1.960 0.809 0.871 0.912 0.676 CB 1.172 35 residues pruned to eliminate duplicates Z: 13 15.742 1.850 0.520 0.925 1.000 0.667 CB 1.134 13 residues pruned to eliminate duplicates Z: 21 22.517 1.938 0.892 0.501 1.000 0.700 CB 1.372 21 residues pruned to eliminate duplicates Z: 17 29.362 2.344 0.927 0.485 0.938 0.562 CA 1.759 17 residues pruned to eliminate duplicates Z: 72 48.766 2.188 0.951 0.591 0.901 0.535 CB 1.379 72 residues pruned to eliminate duplicates Z: 9 4.625 1.490 0.304 0.375 0.750 0.375 CA 1.283 8 residues pruned to eliminate duplicates Z: 15 39.119 2.310 1.084 0.901 0.929 0.786 CB 1.670 15 residues pruned to eliminate duplicates Z: 51 31.876 2.066 0.598 0.541 0.860 0.620 CB 1.525 51 residues pruned to eliminate duplicates Z: 17 23.370 1.973 0.561 0.906 1.000 0.875 CB 1.349 17 residues pruned to eliminate duplicates Z: 33 33.447 2.065 0.921 0.676 0.906 0.812 CB 1.399 33 residues pruned to eliminate duplicates Z: 15 11.243 1.680 0.739 0.452 0.857 0.571 CB 1.260 15 residues pruned to eliminate duplicates Z: 99 55.997 2.165 0.940 0.562 0.908 0.592 CB 1.397 99 residues pruned to eliminate duplicates Z: 12 7.734 1.910 0.336 0.158 0.818 0.273 O 1.697 12 residues pruned to eliminate duplicates Z: 7 7.708 1.794 0.350 0.718 1.000 0.667 CB 1.066 7 residues pruned to eliminate duplicates Z: 6 7.409 1.839 0.771 0.734 0.800 0.600 CB 1.030 6 residues pruned to eliminate duplicates Z: 77 48.406 2.155 0.932 0.525 0.947 0.671 CB 1.373 76 residues pruned to eliminate duplicates Z: 30 29.935 2.230 0.888 0.431 0.931 0.517 CB 1.523 30 residues pruned to eliminate duplicates Z: 41 33.134 2.066 0.798 0.650 0.900 0.600 CB 1.362 41 residues pruned to eliminate duplicates Z: 7 2.416 1.565 0.542 0.240 0.667 0.500 CB 0.828 Z: 39 37.637 2.212 0.894 0.570 0.947 0.684 CB 1.437 42 residues pruned to eliminate duplicates Z: 7 8.047 1.867 0.537 0.545 0.833 0.833 CB 1.315 Z: 12 20.090 1.997 0.928 0.532 1.000 0.727 CB 1.524 12 residues pruned to eliminate duplicates Z: 13 22.102 2.022 0.751 0.895 0.917 0.750 CB 1.409 13 residues pruned to eliminate duplicates Z: 18 31.118 1.935 1.135 0.936 1.000 0.882 CB 1.272 18 residues pruned to eliminate duplicates Z: 7 14.078 1.848 0.751 0.877 1.000 0.833 CA 1.290 7 residues pruned to eliminate duplicates Z: 19 14.827 2.015 0.624 0.391 0.833 0.611 CB 1.438 19 residues pruned to eliminate duplicates Z: 13 19.667 1.756 0.644 0.872 1.000 0.667 CA 1.434 13 residues pruned to eliminate duplicates Z: 11 20.546 2.163 0.830 0.525 1.000 0.800 CB 1.601 11 residues pruned to eliminate duplicates Z: 50 43.394 2.101 0.988 0.612 0.939 0.408 CB 1.423 50 residues pruned to eliminate duplicates Z: 10 48.182 2.581 1.489 0.824 1.000 1.000 CB 1.889 10 residues pruned to eliminate duplicates Z: 13 15.190 1.864 0.402 0.925 1.000 0.917 CB 1.177 13 residues pruned to eliminate duplicates Z: 29 25.983 2.012 0.992 0.499 0.893 0.643 CB 1.374 29 residues pruned to eliminate duplicates Z: 31 33.663 2.140 1.080 0.559 0.867 0.600 CB 1.505 31 residues pruned to eliminate duplicates Z: 9 5.273 1.348 1.179 0.336 0.875 0.375 C 0.867 Z: 26 21.070 2.073 0.443 0.537 0.920 0.520 CB 1.476 26 residues pruned to eliminate duplicates Z: 9 21.628 2.064 0.984 0.826 1.000 0.750 CA 1.408 9 residues pruned to eliminate duplicates Z: 22 26.535 2.130 0.781 0.578 0.905 0.667 CB 1.564 38 residues pruned to eliminate duplicates Z: 10 19.384 2.281 0.703 0.526 1.000 0.778 CB 1.621 10 residues pruned to eliminate duplicates Z: 15 7.588 1.708 0.298 0.307 0.929 0.571 CB 1.221 14 residues pruned to eliminate duplicates Z: 10 14.527 1.962 0.692 0.583 1.000 0.778 CB 1.347 10 residues pruned to eliminate duplicates Z: 6 7.334 1.940 0.707 0.815 1.000 0.800 CB 0.753 Z: 20 20.685 1.872 1.051 0.526 0.947 0.737 CB 1.272 20 residues pruned to eliminate duplicates Z: 31 32.886 2.300 0.985 0.427 0.900 0.433 CB 1.576 31 residues pruned to eliminate duplicates Z: 8 5.230 1.520 0.065 0.620 0.857 0.571 CB 1.272 Z: 17 20.653 1.918 0.461 0.905 0.938 0.875 CA 1.398 17 residues pruned to eliminate duplicates Z: 25 15.319 1.716 0.681 0.419 0.833 0.500 CB 1.416 25 residues pruned to eliminate duplicates Z: 20 26.894 2.287 0.982 0.443 0.842 0.368 CB 1.714 20 residues pruned to eliminate duplicates Z: 72 55.406 2.256 0.853 0.607 0.944 0.620 CB 1.506 72 residues pruned to eliminate duplicates Z: 17 28.145 2.028 0.769 0.828 0.938 0.688 CA 1.575 17 residues pruned to eliminate duplicates 6 1.707 1.427 0.213 0.348 0.600 0.400 CB 0.867 ? Z: 26 24.849 2.136 0.562 0.567 0.920 0.680 CB 1.518 26 residues pruned to eliminate duplicates Z: 11 9.778 2.136 1.033 0.223 0.700 0.300 CA 1.406 11 residues pruned to eliminate duplicates Z: 18 11.323 1.867 0.509 0.355 0.882 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 18 14.710 2.088 0.694 0.272 0.882 0.529 CB 1.480 18 residues pruned to eliminate duplicates Z: 9 16.290 1.844 0.855 0.642 1.000 0.750 CB 1.474 9 residues pruned to eliminate duplicates Z: 8 8.534 2.002 0.268 0.427 1.000 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 22 22.951 2.239 0.660 0.581 0.857 0.667 CB 1.453 22 residues pruned to eliminate duplicates Z: 45 25.245 1.856 0.793 0.587 0.909 0.727 CB 1.157 45 residues pruned to eliminate duplicates Z: 17 5.286 1.484 0.349 0.274 0.812 0.250 CB 1.050 Z: 32 25.195 2.017 0.513 0.840 0.903 0.613 CB 1.225 32 residues pruned to eliminate duplicates Z: 17 29.870 2.070 1.063 0.664 1.000 0.625 CB 1.503 17 residues pruned to eliminate duplicates Z: 27 43.140 2.361 0.988 0.659 0.923 0.654 CB 1.684 27 residues pruned to eliminate duplicates Z: 34 40.990 2.250 0.692 0.820 0.939 0.667 CB 1.511 34 residues pruned to eliminate duplicates Z: 46 45.453 2.242 0.835 0.700 0.889 0.622 CB 1.544 46 residues pruned to eliminate duplicates Z: 7 3.177 1.756 -0.070 0.247 0.833 0.167 CA 1.276 Z: 15 18.572 2.023 0.703 0.486 0.929 0.786 CA 1.574 15 residues pruned to eliminate duplicates Z: 15 23.324 2.126 0.470 0.915 1.000 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 32 29.061 2.270 0.987 0.450 0.806 0.484 CB 1.512 32 residues pruned to eliminate duplicates Z: 25 24.357 2.032 0.815 0.705 0.958 0.583 CB 1.168 25 residues pruned to eliminate duplicates Z: 86 55.693 2.208 0.876 0.590 0.929 0.647 CB 1.440 86 residues pruned to eliminate duplicates Z: 6 4.709 1.648 0.678 0.751 1.000 0.800 CB 0.609 6 residues pruned to eliminate duplicates Z: 26 17.798 1.773 0.646 0.590 0.960 0.720 CB 1.165 26 residues pruned to eliminate duplicates Z: 6 2.681 1.661 0.391 0.573 0.600 0.400 CB 0.805 Z: 28 22.410 2.067 0.910 0.507 0.852 0.556 CB 1.273 28 residues pruned to eliminate duplicates Z: 20 10.404 1.826 0.647 0.381 0.684 0.421 CB 1.317 20 residues pruned to eliminate duplicates Z: 15 11.830 1.753 0.095 0.936 1.000 1.000 CB 1.148 15 residues pruned to eliminate duplicates Z: 24 36.935 2.307 0.924 0.604 0.957 0.739 CB 1.643 24 residues pruned to eliminate duplicates Z: 14 33.402 2.410 0.861 0.724 1.000 0.846 CB 1.687 14 residues pruned to eliminate duplicates Z: 6 4.214 1.576 0.407 0.588 0.800 0.800 CB 0.977 6 residues pruned to eliminate duplicates Z: 24 20.790 1.961 0.738 0.489 0.870 0.609 CB 1.479 24 residues pruned to eliminate duplicates Z: 27 27.993 2.210 0.673 0.643 0.885 0.731 CB 1.468 27 residues pruned to eliminate duplicates Z: 35 36.947 2.194 0.990 0.534 0.941 0.706 CB 1.491 35 residues pruned to eliminate duplicates Z: 25 23.512 2.002 0.668 0.555 1.000 0.667 CB 1.363 25 residues pruned to eliminate duplicates Z: 22 18.326 1.901 0.721 0.514 0.905 0.667 CB 1.332 22 residues pruned to eliminate duplicates Z: 6 6.863 1.687 0.793 0.497 0.800 0.600 CB 1.272 Z: 8 3.488 1.521 1.173 0.464 0.714 0.571 CB 0.579 7 residues pruned to eliminate duplicates Z: 19 18.477 2.233 0.931 0.512 0.722 0.611 CB 1.382 19 residues pruned to eliminate duplicates Z: 15 8.025 1.734 0.256 0.381 0.857 0.357 CB 1.305 15 residues pruned to eliminate duplicates Z: 9 11.183 1.915 0.212 0.826 1.000 0.750 CB 1.284 9 residues pruned to eliminate duplicates Z: 7 5.936 1.664 0.655 0.714 0.833 0.667 CB 0.870 Z: 11 24.691 2.147 1.134 0.825 0.900 0.600 CB 1.430 11 residues pruned to eliminate duplicates 7 1.754 1.523 -0.286 0.249 0.833 0.500 O 1.055 ? Z: 14 16.680 1.801 0.495 0.940 1.000 1.000 CB 1.193 14 residues pruned to eliminate duplicates Z: 29 22.693 1.927 0.675 0.507 0.929 0.714 CB 1.421 29 residues pruned to eliminate duplicates Z: 7 5.355 1.556 0.474 0.387 0.833 0.667 N 1.290 Z: 8 8.263 1.768 0.591 0.632 0.857 0.571 CB 1.144 8 residues pruned to eliminate duplicates Z: 19 18.387 1.862 1.058 0.497 0.833 0.611 CB 1.362 25 residues pruned to eliminate duplicates Z: 31 21.958 1.922 0.755 0.578 0.967 0.800 CB 1.141 31 residues pruned to eliminate duplicates Z: 9 3.749 1.562 0.654 0.377 0.625 0.625 CB 0.936 Z: 20 15.235 2.027 0.854 0.430 0.842 0.579 CB 1.188 20 residues pruned to eliminate duplicates Z: 7 24.894 2.526 0.891 0.736 1.000 1.000 CA 1.721 7 residues pruned to eliminate duplicates Z: 22 54.480 2.326 1.073 0.883 1.000 0.857 CB 1.783 22 residues pruned to eliminate duplicates Z: 54 42.300 2.197 0.890 0.565 0.906 0.604 CB 1.450 54 residues pruned to eliminate duplicates Z: 10 22.742 2.182 1.261 0.615 0.889 0.778 CB 1.551 10 residues pruned to eliminate duplicates Z: 6 3.221 1.395 0.243 0.742 0.800 0.600 CA 0.837 6 residues pruned to eliminate duplicates Z: 10 3.559 1.593 0.028 0.447 0.778 0.556 CB 0.984 8 residues pruned to eliminate duplicates Z: 12 12.281 2.037 0.986 0.372 0.727 0.636 CB 1.443 12 residues pruned to eliminate duplicates 734 residues left after pruning, divided into chains as follows: A: 20 B: 15 C: 16 D: 179 E: 16 F: 14 G: 22 H: 98 I: 182 J: 12 K: 13 L: 23 M: 107 N: 17 CC for partial structure against native data = 42.33 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.483, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.559, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.675, Connect. = 0.811 for dens.mod. cycle 3 = 0.300, Contrast = 0.691, Connect. = 0.813 for dens.mod. cycle 4 = 0.300, Contrast = 0.707, Connect. = 0.815 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.816 for dens.mod. cycle 6 = 0.300, Contrast = 0.721, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.724, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.819 for dens.mod. cycle 9 = 0.300, Contrast = 0.729, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4216 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1036 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 54.968 2.459 0.834 0.934 1.000 0.750 CA 1.900 B: 21 28.322 2.333 0.866 0.456 0.850 0.350 CB 1.789 C: 14 26.203 2.297 0.745 0.710 0.923 0.462 CB 1.623 D: 16 41.806 2.342 1.098 0.875 0.867 0.667 CA 1.843 E: 15 53.248 2.449 1.233 0.929 1.000 0.714 CB 1.821 F: 12 33.116 2.490 0.968 0.854 0.909 0.727 CB 1.655 14 residues pruned to eliminate duplicates G: 14 34.351 2.457 0.583 0.904 1.000 0.846 CA 1.744 14 residues pruned to eliminate duplicates H: 38 50.814 2.305 0.734 0.849 0.919 0.784 CB 1.686 21 residues pruned to eliminate duplicates I: 16 48.185 2.418 1.057 0.894 1.000 0.800 CB 1.793 16 residues pruned to eliminate duplicates J: 37 47.914 2.377 0.665 0.839 0.944 0.722 CB 1.595 37 residues pruned to eliminate duplicates K: 14 29.331 2.237 0.997 0.783 0.923 0.692 CB 1.538 14 residues pruned to eliminate duplicates L: 12 26.677 2.483 0.635 0.824 0.909 0.818 CB 1.646 12 residues pruned to eliminate duplicates M: 21 45.004 2.444 0.859 0.894 0.900 0.750 CB 1.766 21 residues pruned to eliminate duplicates N: 10 27.795 2.507 0.724 0.845 0.889 0.667 CB 1.792 O: 21 48.088 2.389 0.774 0.899 1.000 0.800 CA 1.815 21 residues pruned to eliminate duplicates P: 20 49.772 2.504 0.841 0.911 0.947 0.842 CB 1.853 20 residues pruned to eliminate duplicates Q: 17 36.602 2.218 0.936 0.809 1.000 0.562 CA 1.628 R: 12 32.469 2.489 0.957 0.844 0.909 0.727 CB 1.645 12 residues pruned to eliminate duplicates S: 20 42.366 2.272 1.025 0.922 1.000 0.789 CB 1.486 T: 14 19.914 2.037 0.553 0.768 1.000 0.692 CA 1.377 11 residues pruned to eliminate duplicates U: 61 41.879 2.130 0.754 0.631 0.900 0.617 CB 1.422 V: 38 37.270 2.308 0.859 0.529 0.892 0.622 CB 1.555 12 residues pruned to eliminate duplicates W: 10 9.885 1.981 1.071 0.279 0.889 0.444 CA 1.160 X: 17 20.648 2.297 0.575 0.516 0.875 0.562 CB 1.605 Y: 18 18.911 2.050 0.839 0.419 0.824 0.412 CB 1.608 18 residues pruned to eliminate duplicates Z: 15 31.200 2.322 0.661 0.804 1.000 0.571 CB 1.658 16 residues pruned to eliminate duplicates Z: 15 47.880 2.405 1.101 0.916 1.000 0.929 CB 1.788 15 residues pruned to eliminate duplicates Z: 13 25.104 2.211 1.011 0.737 0.833 0.667 CB 1.581 13 residues pruned to eliminate duplicates Z: 36 39.115 2.287 0.690 0.555 0.971 0.743 CB 1.669 24 residues pruned to eliminate duplicates Z: 17 36.358 2.206 0.961 0.807 1.000 0.750 CB 1.607 16 residues pruned to eliminate duplicates Z: 17 17.354 2.116 0.646 0.482 0.938 0.625 CB 1.353 Z: 11 23.513 2.254 0.931 0.810 0.800 0.700 CB 1.631 Z: 40 31.537 2.155 0.648 0.610 0.897 0.718 CB 1.428 41 residues pruned to eliminate duplicates Z: 15 18.477 2.143 0.815 0.387 0.929 0.714 CB 1.541 Z: 20 39.566 2.273 0.789 0.928 1.000 0.789 CB 1.563 20 residues pruned to eliminate duplicates Z: 15 41.238 2.398 0.953 0.895 1.000 0.857 CA 1.687 15 residues pruned to eliminate duplicates Z: 54 48.181 2.215 0.889 0.628 0.925 0.642 CB 1.517 39 residues pruned to eliminate duplicates Z: 21 50.919 2.450 0.781 0.910 1.000 0.750 CA 1.850 21 residues pruned to eliminate duplicates Z: 15 52.509 2.426 1.325 0.949 1.000 0.929 CB 1.717 14 residues pruned to eliminate duplicates Z: 16 36.036 2.175 1.279 0.867 0.867 0.800 CB 1.584 16 residues pruned to eliminate duplicates Z: 12 29.850 2.438 0.833 0.838 0.909 0.636 CA 1.656 12 residues pruned to eliminate duplicates Z: 14 29.708 2.278 0.645 0.947 1.000 1.000 CB 1.519 Z: 17 26.825 1.999 0.552 0.918 1.000 0.750 CB 1.524 Z: 14 44.329 2.411 1.124 0.904 1.000 0.923 CB 1.710 14 residues pruned to eliminate duplicates Z: 14 23.519 2.033 0.699 0.901 0.923 0.846 CA 1.461 Z: 15 41.697 2.520 0.900 0.870 0.929 0.857 CB 1.829 15 residues pruned to eliminate duplicates Z: 18 26.524 2.088 0.840 0.715 0.882 0.706 CB 1.563 18 residues pruned to eliminate duplicates Z: 13 15.602 2.212 0.706 0.371 0.833 0.833 CB 1.644 14 residues pruned to eliminate duplicates Z: 79 52.819 2.202 0.869 0.533 0.936 0.526 CB 1.503 26 residues pruned to eliminate duplicates Z: 13 25.658 2.227 0.902 0.740 0.833 0.500 CB 1.693 13 residues pruned to eliminate duplicates Z: 18 18.715 2.092 0.795 0.501 0.824 0.588 CB 1.466 18 residues pruned to eliminate duplicates Z: 30 25.075 1.991 0.770 0.450 0.966 0.621 CB 1.442 Z: 29 30.227 2.429 0.920 0.370 0.821 0.500 CB 1.713 19 residues pruned to eliminate duplicates Z: 13 22.234 2.160 0.632 0.834 0.917 0.750 CB 1.489 13 residues pruned to eliminate duplicates Z: 17 42.826 2.209 1.402 0.911 0.875 0.688 CB 1.635 17 residues pruned to eliminate duplicates Z: 21 52.197 2.453 0.878 0.925 1.000 0.800 CB 1.778 21 residues pruned to eliminate duplicates Z: 31 38.399 2.340 0.784 0.559 0.933 0.767 CB 1.699 31 residues pruned to eliminate duplicates Z: 15 49.400 2.405 1.253 0.906 1.000 0.714 CB 1.734 15 residues pruned to eliminate duplicates Z: 75 56.217 2.273 0.810 0.662 0.919 0.730 CB 1.488 52 residues pruned to eliminate duplicates Z: 20 30.715 2.371 0.906 0.539 0.895 0.579 CB 1.677 20 residues pruned to eliminate duplicates Z: 13 27.894 2.381 0.756 0.773 0.917 0.750 CA 1.650 13 residues pruned to eliminate duplicates Z: 16 26.921 2.207 0.670 0.813 1.000 0.600 CB 1.437 Z: 47 36.691 2.292 0.584 0.534 0.913 0.565 CB 1.578 54 residues pruned to eliminate duplicates Z: 21 26.078 1.978 0.952 0.554 1.000 0.750 CB 1.433 Z: 28 30.885 2.376 0.723 0.445 0.852 0.630 CB 1.804 28 residues pruned to eliminate duplicates Z: 14 18.833 2.038 0.929 0.439 1.000 0.615 CA 1.414 14 residues pruned to eliminate duplicates Z: 13 14.945 2.190 0.881 0.321 0.833 0.500 CB 1.530 13 residues pruned to eliminate duplicates Z: 8 14.708 1.894 0.953 0.651 0.857 0.571 CA 1.523 Z: 15 17.562 2.160 1.031 0.468 0.786 0.500 CB 1.406 15 residues pruned to eliminate duplicates Z: 17 31.119 1.994 0.754 0.942 1.000 0.688 CB 1.543 17 residues pruned to eliminate duplicates Z: 8 7.846 2.160 0.987 0.480 0.571 0.571 CB 1.234 11 residues pruned to eliminate duplicates Z: 25 29.360 2.370 0.806 0.388 0.917 0.500 CB 1.719 17 residues pruned to eliminate duplicates Z: 27 25.848 2.076 0.861 0.490 0.923 0.654 CB 1.436 27 residues pruned to eliminate duplicates Z: 84 55.973 2.276 0.861 0.548 0.928 0.518 CB 1.491 80 residues pruned to eliminate duplicates Z: 15 33.187 2.344 0.774 0.845 1.000 0.857 CB 1.586 16 residues pruned to eliminate duplicates Z: 16 38.885 2.274 1.073 0.802 1.000 0.600 CB 1.636 16 residues pruned to eliminate duplicates Z: 14 25.238 2.318 0.553 0.807 0.923 0.769 CB 1.611 14 residues pruned to eliminate duplicates Z: 15 18.322 2.079 0.686 0.443 0.929 0.786 CB 1.595 14 residues pruned to eliminate duplicates Z: 22 30.407 2.329 0.919 0.426 0.905 0.571 CA 1.773 22 residues pruned to eliminate duplicates Z: 68 50.262 2.349 0.763 0.551 0.881 0.672 CB 1.602 50 residues pruned to eliminate duplicates Z: 16 39.826 2.331 1.235 0.816 0.933 0.733 CB 1.607 16 residues pruned to eliminate duplicates Z: 19 39.391 2.426 1.013 0.641 1.000 0.667 CB 1.666 19 residues pruned to eliminate duplicates Z: 17 29.658 2.123 0.944 0.819 1.000 0.750 CB 1.362 24 residues pruned to eliminate duplicates Z: 15 33.923 2.272 0.842 0.835 1.000 0.714 CB 1.623 15 residues pruned to eliminate duplicates Z: 16 20.044 2.033 0.337 0.919 0.933 0.867 CB 1.437 16 residues pruned to eliminate duplicates Z: 21 37.408 2.251 0.817 0.895 0.950 0.850 CB 1.543 21 residues pruned to eliminate duplicates Z: 24 34.776 2.388 0.889 0.530 0.957 0.565 CB 1.632 24 residues pruned to eliminate duplicates Z: 15 53.514 2.407 1.432 0.914 1.000 0.857 CB 1.728 15 residues pruned to eliminate duplicates Z: 98 56.653 2.210 0.902 0.564 0.887 0.598 CB 1.450 103 residues pruned to eliminate duplicates Z: 24 31.905 2.399 0.862 0.440 0.870 0.522 CB 1.823 24 residues pruned to eliminate duplicates Z: 39 35.914 2.306 0.881 0.403 0.868 0.474 CB 1.712 39 residues pruned to eliminate duplicates Z: 51 42.253 2.226 0.723 0.590 0.920 0.500 CB 1.553 51 residues pruned to eliminate duplicates Z: 25 33.135 2.378 0.794 0.485 0.875 0.500 CB 1.839 26 residues pruned to eliminate duplicates Z: 15 46.612 2.499 1.049 0.905 1.000 0.857 CB 1.731 15 residues pruned to eliminate duplicates Z: 14 23.892 2.331 0.782 0.495 0.923 0.615 CB 1.736 14 residues pruned to eliminate duplicates Z: 16 41.091 2.370 0.877 0.865 1.000 0.867 CB 1.746 16 residues pruned to eliminate duplicates Z: 14 25.026 2.046 0.909 0.816 0.923 0.692 CB 1.463 14 residues pruned to eliminate duplicates Z: 15 38.123 2.260 1.062 0.837 1.000 0.571 CB 1.636 15 residues pruned to eliminate duplicates Z: 19 16.725 2.015 0.858 0.354 0.833 0.444 CB 1.479 19 residues pruned to eliminate duplicates Z: 15 38.530 2.290 1.108 0.940 0.929 0.857 CB 1.596 15 residues pruned to eliminate duplicates Z: 36 32.716 2.289 0.571 0.578 0.857 0.657 CB 1.664 36 residues pruned to eliminate duplicates Z: 17 33.504 2.217 1.047 0.784 0.875 0.625 CB 1.643 17 residues pruned to eliminate duplicates Z: 12 6.267 1.982 0.380 0.274 0.727 0.364 CB 1.228 12 residues pruned to eliminate duplicates Z: 22 31.072 2.181 0.666 0.886 0.952 0.762 CB 1.414 22 residues pruned to eliminate duplicates Z: 28 24.600 2.024 0.888 0.515 0.852 0.630 CB 1.433 28 residues pruned to eliminate duplicates Z: 13 29.058 2.192 1.235 0.789 0.917 0.750 CB 1.449 13 residues pruned to eliminate duplicates Z: 17 32.478 2.231 0.936 0.798 0.938 0.688 CA 1.544 17 residues pruned to eliminate duplicates Z: 98 58.756 2.191 0.974 0.536 0.897 0.567 CB 1.485 98 residues pruned to eliminate duplicates Z: 18 33.426 1.974 1.005 0.940 1.000 0.588 CB 1.422 18 residues pruned to eliminate duplicates Z: 20 49.953 2.460 0.746 0.916 1.000 0.842 CA 1.884 20 residues pruned to eliminate duplicates Z: 9 19.118 2.205 0.559 0.733 1.000 0.375 CA 1.595 9 residues pruned to eliminate duplicates Z: 13 33.652 2.312 0.902 0.925 1.000 0.917 CB 1.551 13 residues pruned to eliminate duplicates Z: 16 24.436 2.175 0.537 0.824 0.933 0.733 CB 1.527 16 residues pruned to eliminate duplicates Z: 27 19.187 1.985 0.657 0.488 0.846 0.538 CB 1.368 27 residues pruned to eliminate duplicates Z: 21 45.243 2.391 0.708 0.894 1.000 0.850 CA 1.778 21 residues pruned to eliminate duplicates Z: 28 14.987 1.849 0.600 0.475 0.852 0.667 CB 1.173 Z: 15 23.536 1.921 0.691 0.864 1.000 0.786 CA 1.420 15 residues pruned to eliminate duplicates Z: 20 17.117 1.965 0.802 0.477 0.842 0.579 CB 1.348 17 residues pruned to eliminate duplicates Z: 14 26.777 2.251 0.557 0.910 1.000 1.000 CB 1.503 14 residues pruned to eliminate duplicates Z: 32 24.365 2.101 0.554 0.416 0.903 0.613 CB 1.621 32 residues pruned to eliminate duplicates Z: 11 13.136 2.328 0.420 0.348 0.800 0.400 CB 1.851 11 residues pruned to eliminate duplicates Z: 55 40.876 2.154 0.741 0.638 0.889 0.667 CB 1.466 55 residues pruned to eliminate duplicates Z: 14 45.171 2.477 1.039 0.903 1.000 0.846 CB 1.768 14 residues pruned to eliminate duplicates Z: 19 25.519 2.068 0.721 0.588 1.000 0.722 CB 1.554 19 residues pruned to eliminate duplicates Z: 16 30.045 2.082 0.721 0.946 1.000 0.533 CB 1.497 17 residues pruned to eliminate duplicates Z: 15 20.703 2.072 0.438 0.887 0.929 0.714 CB 1.443 15 residues pruned to eliminate duplicates Z: 14 27.814 2.171 0.585 0.859 1.000 0.923 CA 1.649 14 residues pruned to eliminate duplicates Z: 11 30.556 2.454 0.738 0.891 1.000 0.600 CB 1.628 11 residues pruned to eliminate duplicates Z: 17 29.070 2.002 0.694 0.904 1.000 0.750 CB 1.526 17 residues pruned to eliminate duplicates Z: 73 58.839 2.293 1.009 0.582 0.917 0.597 CB 1.518 73 residues pruned to eliminate duplicates Z: 17 21.010 2.247 0.687 0.432 0.812 0.438 CA 1.830 17 residues pruned to eliminate duplicates Z: 14 36.873 2.381 0.887 0.925 0.923 0.923 CA 1.731 14 residues pruned to eliminate duplicates Z: 21 43.806 2.300 0.939 0.896 0.900 0.800 CA 1.749 31 residues pruned to eliminate duplicates Z: 23 45.467 2.260 0.974 0.851 0.955 0.727 CA 1.685 23 residues pruned to eliminate duplicates Z: 17 23.422 1.991 0.529 0.906 0.938 0.812 CB 1.458 17 residues pruned to eliminate duplicates Z: 34 37.339 2.162 0.708 0.840 0.939 0.606 CB 1.399 20 residues pruned to eliminate duplicates Z: 16 22.180 2.080 0.233 0.930 1.000 0.867 CB 1.562 16 residues pruned to eliminate duplicates Z: 37 57.109 2.376 0.782 0.861 0.972 0.694 CB 1.699 37 residues pruned to eliminate duplicates Z: 10 26.465 2.213 0.964 0.916 1.000 0.889 CB 1.433 10 residues pruned to eliminate duplicates Z: 17 26.531 1.974 0.652 0.937 0.938 0.562 CB 1.510 17 residues pruned to eliminate duplicates Z: 14 27.347 2.206 0.638 0.926 1.000 0.846 CB 1.472 14 residues pruned to eliminate duplicates Z: 16 15.711 2.112 0.653 0.413 0.867 0.600 CB 1.468 Z: 22 38.624 2.158 0.827 0.927 1.000 0.667 CB 1.498 21 residues pruned to eliminate duplicates Z: 20 43.487 2.297 0.900 0.927 1.000 0.737 CB 1.602 20 residues pruned to eliminate duplicates Z: 36 37.529 2.300 0.720 0.567 0.914 0.743 CB 1.642 36 residues pruned to eliminate duplicates Z: 17 34.551 2.105 0.960 0.949 1.000 0.812 CB 1.445 17 residues pruned to eliminate duplicates Z: 15 41.593 2.334 1.204 0.898 0.929 0.786 CB 1.665 15 residues pruned to eliminate duplicates Z: 122 54.349 2.154 0.654 0.580 0.909 0.645 CB 1.412 126 residues pruned to eliminate duplicates Z: 21 48.811 2.368 0.873 0.907 0.950 0.700 CB 1.842 21 residues pruned to eliminate duplicates Z: 17 20.009 2.010 0.743 0.460 0.938 0.562 CA 1.587 Z: 14 38.590 2.295 1.023 0.812 1.000 0.615 CB 1.757 14 residues pruned to eliminate duplicates Z: 17 32.119 2.013 0.795 0.945 1.000 0.875 CB 1.539 Z: 34 30.361 2.154 0.432 0.843 0.909 0.727 CB 1.404 34 residues pruned to eliminate duplicates Z: 14 31.062 2.268 0.800 0.849 0.923 0.615 CA 1.695 14 residues pruned to eliminate duplicates Z: 16 28.714 2.141 0.764 0.844 0.933 0.600 CA 1.565 16 residues pruned to eliminate duplicates Z: 15 28.548 1.866 0.948 0.902 1.000 0.857 CA 1.498 15 residues pruned to eliminate duplicates Z: 16 26.585 1.960 0.807 0.942 1.000 0.933 CB 1.344 16 residues pruned to eliminate duplicates Z: 30 23.948 2.204 0.735 0.418 0.828 0.552 CB 1.530 30 residues pruned to eliminate duplicates Z: 17 34.284 2.155 0.880 0.819 0.938 0.438 CB 1.711 17 residues pruned to eliminate duplicates Z: 67 50.304 2.195 1.002 0.584 0.864 0.561 CB 1.506 55 residues pruned to eliminate duplicates Z: 88 56.845 2.248 0.869 0.550 0.897 0.598 CB 1.540 88 residues pruned to eliminate duplicates Z: 94 52.527 2.156 0.808 0.587 0.935 0.624 CB 1.375 63 residues pruned to eliminate duplicates Z: 19 35.336 2.221 1.141 0.889 0.944 0.778 CB 1.335 19 residues pruned to eliminate duplicates Z: 17 17.441 1.972 0.385 0.914 0.875 0.812 CB 1.289 17 residues pruned to eliminate duplicates Z: 16 27.526 2.101 0.472 0.943 1.000 0.933 CB 1.592 16 residues pruned to eliminate duplicates Z: 15 29.877 2.286 0.780 0.683 0.929 0.571 CA 1.786 15 residues pruned to eliminate duplicates Z: 22 37.863 2.183 0.843 0.844 1.000 0.619 CB 1.528 22 residues pruned to eliminate duplicates Z: 14 22.235 2.121 0.622 0.791 0.923 0.692 CB 1.505 14 residues pruned to eliminate duplicates Z: 12 34.810 2.392 1.183 0.809 0.909 0.545 CB 1.689 12 residues pruned to eliminate duplicates Z: 74 48.942 2.268 0.759 0.499 0.918 0.589 CB 1.567 67 residues pruned to eliminate duplicates Z: 11 20.282 2.182 0.417 0.916 1.000 0.900 CB 1.466 11 residues pruned to eliminate duplicates Z: 15 24.966 2.116 0.541 0.936 0.929 0.786 CB 1.535 15 residues pruned to eliminate duplicates Z: 25 49.264 2.436 1.012 0.678 0.958 0.792 CB 1.817 25 residues pruned to eliminate duplicates Z: 17 27.012 1.955 0.673 0.891 1.000 0.438 CB 1.484 17 residues pruned to eliminate duplicates Z: 15 50.673 2.420 1.184 0.940 1.000 0.929 CA 1.780 15 residues pruned to eliminate duplicates Z: 12 24.959 2.152 0.984 0.903 0.909 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 17 15.034 1.972 0.625 0.357 0.938 0.625 CA 1.460 17 residues pruned to eliminate duplicates Z: 19 30.710 1.944 0.770 0.882 1.000 0.889 CB 1.523 19 residues pruned to eliminate duplicates Z: 17 22.588 2.025 0.487 0.915 0.938 0.750 CB 1.413 17 residues pruned to eliminate duplicates Z: 7 5.459 1.890 0.225 0.544 0.833 0.500 CB 1.107 Z: 22 21.613 2.055 0.397 0.824 0.952 0.667 CB 1.302 22 residues pruned to eliminate duplicates Z: 21 34.522 2.241 0.824 0.880 0.950 0.850 CB 1.441 21 residues pruned to eliminate duplicates Z: 15 31.918 2.266 0.705 0.862 1.000 0.786 CA 1.622 15 residues pruned to eliminate duplicates Z: 82 38.034 2.069 0.646 0.551 0.889 0.654 CB 1.328 82 residues pruned to eliminate duplicates Z: 9 8.473 1.927 0.809 0.471 0.875 0.500 CB 1.012 9 residues pruned to eliminate duplicates Z: 10 6.735 2.125 0.690 0.229 0.667 0.222 CB 1.286 10 residues pruned to eliminate duplicates Z: 14 34.507 2.283 1.005 0.800 0.923 0.615 CA 1.741 14 residues pruned to eliminate duplicates Z: 38 34.822 2.038 0.840 0.618 0.919 0.730 CB 1.485 39 residues pruned to eliminate duplicates Z: 14 13.030 2.109 0.921 0.339 0.923 0.462 CB 1.153 14 residues pruned to eliminate duplicates Z: 13 13.312 1.984 0.514 0.423 1.000 0.667 CB 1.386 Z: 25 44.381 2.397 0.902 0.654 1.000 0.667 CB 1.723 25 residues pruned to eliminate duplicates Z: 26 22.230 2.069 0.696 0.492 0.880 0.560 CB 1.451 26 residues pruned to eliminate duplicates Z: 15 19.707 2.088 0.702 0.441 1.000 0.714 CA 1.576 15 residues pruned to eliminate duplicates Z: 51 37.336 2.259 0.652 0.546 0.880 0.540 CB 1.537 67 residues pruned to eliminate duplicates Z: 12 24.375 2.428 0.531 0.827 0.818 0.636 CB 1.823 12 residues pruned to eliminate duplicates Z: 16 22.288 2.194 0.562 0.827 0.867 0.667 CA 1.460 16 residues pruned to eliminate duplicates Z: 69 50.981 2.236 0.820 0.611 0.897 0.544 CB 1.524 69 residues pruned to eliminate duplicates Z: 14 27.755 2.169 0.840 0.918 1.000 0.846 CB 1.360 14 residues pruned to eliminate duplicates Z: 18 29.980 1.972 0.721 0.890 1.000 0.882 CB 1.541 18 residues pruned to eliminate duplicates Z: 17 24.350 1.943 0.436 0.902 1.000 0.688 CB 1.556 17 residues pruned to eliminate duplicates Z: 7 6.197 1.943 -0.046 0.689 0.833 0.667 CB 1.378 7 residues pruned to eliminate duplicates Z: 43 31.662 2.228 0.886 0.426 0.881 0.452 CB 1.425 40 residues pruned to eliminate duplicates Z: 111 71.252 2.327 0.943 0.530 0.936 0.555 CB 1.558 111 residues pruned to eliminate duplicates Z: 48 51.390 2.373 1.017 0.559 0.915 0.553 CB 1.618 48 residues pruned to eliminate duplicates Z: 25 30.603 2.287 0.922 0.441 0.875 0.500 CA 1.726 24 residues pruned to eliminate duplicates Z: 16 38.763 2.308 1.209 0.813 0.933 0.733 CA 1.602 16 residues pruned to eliminate duplicates Z: 40 28.986 2.091 0.742 0.590 0.897 0.590 CB 1.303 40 residues pruned to eliminate duplicates Z: 19 22.477 1.991 0.356 0.893 1.000 0.778 CA 1.408 19 residues pruned to eliminate duplicates Z: 21 43.007 2.362 0.774 0.887 0.950 0.600 CB 1.741 21 residues pruned to eliminate duplicates Z: 30 40.751 2.342 0.759 0.623 0.931 0.690 CB 1.757 30 residues pruned to eliminate duplicates Z: 6 3.784 1.533 0.033 0.668 1.000 0.400 CB 0.915 6 residues pruned to eliminate duplicates Z: 20 20.542 1.893 0.758 0.561 0.947 0.684 CB 1.409 Z: 53 41.608 2.233 0.577 0.584 0.923 0.558 CB 1.638 53 residues pruned to eliminate duplicates Z: 17 27.409 2.010 0.575 0.914 1.000 0.938 CB 1.530 17 residues pruned to eliminate duplicates Z: 35 36.497 2.127 0.660 0.848 0.971 0.794 CB 1.355 35 residues pruned to eliminate duplicates Z: 18 23.560 2.283 0.557 0.555 0.882 0.588 CB 1.728 18 residues pruned to eliminate duplicates Z: 17 27.673 1.964 0.584 0.926 1.000 0.812 CB 1.560 17 residues pruned to eliminate duplicates Z: 20 31.957 2.091 0.727 0.889 1.000 0.684 CB 1.461 20 residues pruned to eliminate duplicates Z: 24 33.086 2.320 0.756 0.553 0.957 0.696 CB 1.681 24 residues pruned to eliminate duplicates Z: 13 21.937 2.177 0.580 0.838 1.000 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 14 22.533 2.139 0.452 0.904 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 19 16.345 2.149 0.580 0.515 0.889 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 13 15.156 1.834 0.727 0.538 0.917 0.667 CB 1.452 13 residues pruned to eliminate duplicates Z: 14 38.399 2.289 1.061 0.948 1.000 0.846 CB 1.559 15 residues pruned to eliminate duplicates Z: 6 8.902 1.744 0.637 0.725 1.000 0.400 CA 1.138 6 residues pruned to eliminate duplicates Z: 52 52.085 2.252 0.955 0.675 0.922 0.627 CB 1.530 52 residues pruned to eliminate duplicates Z: 12 26.564 2.441 0.629 0.853 0.909 0.909 CA 1.637 12 residues pruned to eliminate duplicates Z: 17 19.949 1.869 0.794 0.527 1.000 0.562 CB 1.448 17 residues pruned to eliminate duplicates Z: 18 30.114 1.963 0.790 0.902 1.000 0.706 CB 1.482 18 residues pruned to eliminate duplicates Z: 111 55.054 2.160 0.721 0.584 0.909 0.627 CB 1.432 91 residues pruned to eliminate duplicates Z: 14 19.578 2.134 0.868 0.418 1.000 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 16 27.484 2.120 0.938 0.792 0.933 0.533 CB 1.432 16 residues pruned to eliminate duplicates Z: 15 21.223 2.023 0.694 0.886 0.929 0.786 CB 1.287 15 residues pruned to eliminate duplicates Z: 16 25.563 2.004 0.731 0.942 1.000 0.933 CB 1.320 16 residues pruned to eliminate duplicates Z: 12 27.588 2.314 0.590 0.860 1.000 0.909 CB 1.661 12 residues pruned to eliminate duplicates Z: 9 16.978 2.028 0.802 0.612 1.000 0.500 CB 1.477 9 residues pruned to eliminate duplicates Z: 19 28.268 1.994 0.640 0.923 1.000 0.944 CA 1.432 19 residues pruned to eliminate duplicates Z: 30 42.764 2.408 0.881 0.548 0.966 0.586 CB 1.732 30 residues pruned to eliminate duplicates Z: 15 23.716 2.115 0.740 0.898 0.929 0.714 CB 1.327 15 residues pruned to eliminate duplicates Z: 122 57.269 2.157 0.648 0.630 0.934 0.628 CB 1.388 122 residues pruned to eliminate duplicates Z: 7 5.107 1.638 0.147 0.496 0.833 0.667 CB 1.338 7 residues pruned to eliminate duplicates Z: 23 17.447 2.004 0.515 0.583 0.955 0.636 CB 1.186 23 residues pruned to eliminate duplicates Z: 36 31.174 2.181 0.724 0.477 0.914 0.543 CB 1.568 36 residues pruned to eliminate duplicates Z: 22 53.515 2.462 1.010 0.886 0.952 0.857 CA 1.788 22 residues pruned to eliminate duplicates Z: 39 55.162 2.312 0.842 0.868 0.921 0.789 CB 1.668 39 residues pruned to eliminate duplicates Z: 25 22.695 2.251 0.878 0.454 0.833 0.458 CB 1.379 25 residues pruned to eliminate duplicates Z: 16 24.286 2.108 0.852 0.866 0.933 0.667 CB 1.259 16 residues pruned to eliminate duplicates Z: 7 4.758 1.895 0.060 0.352 0.833 0.500 CB 1.361 7 residues pruned to eliminate duplicates Z: 13 24.258 2.078 0.738 0.923 0.917 0.667 CA 1.486 13 residues pruned to eliminate duplicates Z: 12 29.848 2.447 0.503 0.854 1.000 0.818 CA 1.807 12 residues pruned to eliminate duplicates Z: 35 37.727 2.152 0.695 0.863 0.971 0.676 CB 1.341 35 residues pruned to eliminate duplicates Z: 14 24.152 2.099 0.484 0.952 1.000 0.923 CB 1.481 14 residues pruned to eliminate duplicates Z: 36 34.979 2.119 0.645 0.854 0.943 0.514 CB 1.329 36 residues pruned to eliminate duplicates Z: 6 4.198 1.466 0.576 0.506 1.000 0.800 CB 0.808 6 residues pruned to eliminate duplicates Z: 15 31.516 2.346 0.602 0.914 0.929 0.929 CA 1.707 15 residues pruned to eliminate duplicates Z: 31 33.680 2.315 0.757 0.502 0.900 0.667 CB 1.677 31 residues pruned to eliminate duplicates Z: 10 18.985 2.129 0.958 0.522 0.889 0.444 CA 1.672 10 residues pruned to eliminate duplicates Z: 13 32.886 2.154 1.003 0.837 1.000 0.667 CB 1.647 13 residues pruned to eliminate duplicates Z: 8 12.883 2.243 0.370 0.692 0.857 0.571 CA 1.551 8 residues pruned to eliminate duplicates Z: 10 12.048 1.829 0.767 0.753 0.778 0.556 CB 1.275 10 residues pruned to eliminate duplicates Z: 16 27.186 2.111 0.538 0.941 1.000 0.800 CB 1.499 16 residues pruned to eliminate duplicates Z: 6 4.834 1.589 0.184 0.689 1.000 0.600 CA 0.967 Z: 100 51.939 2.144 0.788 0.554 0.899 0.596 CB 1.438 100 residues pruned to eliminate duplicates Z: 115 52.531 2.090 0.689 0.615 0.895 0.640 CB 1.398 115 residues pruned to eliminate duplicates Z: 100 58.904 2.210 0.933 0.553 0.899 0.586 CB 1.464 100 residues pruned to eliminate duplicates Z: 37 36.540 2.122 0.706 0.846 0.917 0.778 CB 1.363 37 residues pruned to eliminate duplicates Z: 26 20.328 2.204 0.544 0.439 0.840 0.400 CB 1.515 26 residues pruned to eliminate duplicates Z: 27 18.309 1.879 0.628 0.530 0.923 0.654 CB 1.234 27 residues pruned to eliminate duplicates Z: 16 26.493 1.954 0.825 0.918 1.000 0.733 CB 1.353 16 residues pruned to eliminate duplicates Z: 17 32.691 1.997 1.012 0.926 1.000 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 37 32.493 2.096 0.546 0.869 0.917 0.694 CB 1.332 37 residues pruned to eliminate duplicates Z: 16 29.223 1.996 0.834 0.936 1.000 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 16 24.779 2.159 0.849 0.552 0.933 0.667 CB 1.632 16 residues pruned to eliminate duplicates Z: 15 25.388 2.081 0.558 0.913 1.000 1.000 CB 1.481 15 residues pruned to eliminate duplicates Z: 10 4.813 1.607 0.458 0.267 0.778 0.222 CA 1.148 10 residues pruned to eliminate duplicates Z: 20 41.671 2.397 0.756 0.895 0.895 0.789 CA 1.820 20 residues pruned to eliminate duplicates Z: 17 27.562 2.223 0.826 0.587 0.938 0.500 CB 1.665 17 residues pruned to eliminate duplicates Z: 17 32.325 2.007 0.913 0.934 1.000 0.875 CB 1.468 17 residues pruned to eliminate duplicates Z: 85 55.263 2.218 0.930 0.573 0.905 0.619 CB 1.451 85 residues pruned to eliminate duplicates Z: 6 5.017 1.849 -0.014 0.698 0.800 0.400 CA 1.284 6 residues pruned to eliminate duplicates Z: 14 14.180 1.794 0.845 0.875 1.000 0.769 CB 0.864 14 residues pruned to eliminate duplicates Z: 9 15.848 2.003 0.716 0.844 0.875 0.625 CB 1.386 9 residues pruned to eliminate duplicates Z: 14 55.070 2.403 1.459 0.930 1.000 0.769 CB 1.808 14 residues pruned to eliminate duplicates Z: 17 22.124 1.893 0.754 0.932 1.000 0.688 CB 1.163 17 residues pruned to eliminate duplicates Z: 24 28.715 2.152 0.818 0.670 0.957 0.696 CB 1.368 24 residues pruned to eliminate duplicates Z: 20 19.112 2.205 0.759 0.559 0.947 0.579 CB 1.127 20 residues pruned to eliminate duplicates Z: 21 42.316 2.204 0.916 0.912 1.000 0.750 CB 1.588 21 residues pruned to eliminate duplicates Z: 12 29.142 2.532 0.532 0.775 1.000 0.818 CB 1.775 12 residues pruned to eliminate duplicates Z: 101 50.883 2.212 0.767 0.519 0.890 0.560 CB 1.435 101 residues pruned to eliminate duplicates Z: 19 16.589 1.939 0.930 0.415 0.889 0.611 CB 1.285 19 residues pruned to eliminate duplicates Z: 16 29.347 2.207 0.872 0.841 0.933 0.667 CB 1.465 16 residues pruned to eliminate duplicates Z: 13 22.468 2.174 0.496 0.863 0.917 0.667 CA 1.596 13 residues pruned to eliminate duplicates Z: 44 31.590 2.280 0.756 0.401 0.884 0.419 CB 1.512 44 residues pruned to eliminate duplicates Z: 15 24.918 2.111 0.725 0.900 0.857 0.786 CB 1.524 15 residues pruned to eliminate duplicates Z: 58 46.713 2.164 0.970 0.608 0.912 0.667 CB 1.436 58 residues pruned to eliminate duplicates Z: 12 17.305 1.967 0.735 0.918 1.000 0.909 CB 1.078 12 residues pruned to eliminate duplicates Z: 33 41.434 2.351 0.794 0.605 0.969 0.750 CB 1.622 33 residues pruned to eliminate duplicates Z: 10 16.477 1.853 0.804 0.805 1.000 0.556 CB 1.259 10 residues pruned to eliminate duplicates Z: 18 31.626 1.945 0.903 0.944 1.000 0.882 CB 1.435 18 residues pruned to eliminate duplicates Z: 83 55.681 2.275 0.871 0.555 0.927 0.537 CB 1.477 83 residues pruned to eliminate duplicates Z: 12 10.315 1.803 0.507 0.456 0.909 0.455 CB 1.316 12 residues pruned to eliminate duplicates Z: 17 28.146 2.002 0.636 0.926 1.000 0.875 CB 1.507 17 residues pruned to eliminate duplicates 6 1.534 1.402 0.078 0.287 0.800 0.400 CB 0.721 ? Z: 9 8.662 1.981 1.029 0.887 1.000 0.500 CB 0.549 9 residues pruned to eliminate duplicates Z: 18 32.111 1.992 0.863 0.942 1.000 0.882 CB 1.456 18 residues pruned to eliminate duplicates Z: 15 22.451 2.130 0.720 0.587 0.929 0.643 CB 1.623 15 residues pruned to eliminate duplicates Z: 15 31.417 2.184 0.786 0.873 1.000 0.786 CA 1.568 15 residues pruned to eliminate duplicates Z: 21 25.394 2.202 0.546 0.809 0.950 0.700 CB 1.341 21 residues pruned to eliminate duplicates Z: 25 37.205 2.376 0.857 0.596 0.958 0.750 CB 1.639 25 residues pruned to eliminate duplicates Z: 17 30.325 1.989 0.819 0.908 1.000 0.688 CB 1.487 17 residues pruned to eliminate duplicates Z: 18 29.739 2.034 0.947 0.758 0.941 0.471 CB 1.539 18 residues pruned to eliminate duplicates Z: 17 24.858 1.949 0.521 0.899 1.000 0.875 CB 1.499 17 residues pruned to eliminate duplicates Z: 90 54.804 2.191 0.747 0.634 0.955 0.674 CB 1.402 90 residues pruned to eliminate duplicates Z: 15 29.900 2.137 0.808 0.841 0.929 0.714 CB 1.661 15 residues pruned to eliminate duplicates Z: 12 30.689 2.318 0.912 0.822 0.909 0.636 CB 1.737 12 residues pruned to eliminate duplicates Z: 15 40.728 2.381 0.915 0.878 1.000 0.786 CB 1.733 15 residues pruned to eliminate duplicates Z: 13 27.265 2.313 0.887 0.854 1.000 1.000 CA 1.331 13 residues pruned to eliminate duplicates Z: 14 27.044 2.132 0.812 0.930 1.000 0.846 CB 1.357 14 residues pruned to eliminate duplicates Z: 25 32.296 2.218 0.842 0.653 0.958 0.583 CB 1.461 25 residues pruned to eliminate duplicates Z: 111 52.715 2.143 0.747 0.536 0.900 0.582 CB 1.439 111 residues pruned to eliminate duplicates Z: 13 24.930 2.119 0.524 0.910 1.000 0.833 CA 1.581 13 residues pruned to eliminate duplicates Z: 17 31.271 1.997 0.802 0.936 1.000 0.625 CB 1.513 17 residues pruned to eliminate duplicates Z: 38 51.515 2.364 0.594 0.871 0.973 0.730 CB 1.685 38 residues pruned to eliminate duplicates Z: 14 24.966 1.982 1.112 0.892 0.923 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 13 21.053 2.147 0.797 0.749 0.833 0.500 CB 1.513 13 residues pruned to eliminate duplicates Z: 21 33.491 2.235 0.688 0.895 0.950 0.850 CB 1.497 21 residues pruned to eliminate duplicates Z: 40 27.439 2.101 0.562 0.572 0.897 0.692 CB 1.391 40 residues pruned to eliminate duplicates Z: 17 28.719 1.992 0.680 0.924 1.000 0.875 CB 1.507 17 residues pruned to eliminate duplicates Z: 12 26.650 2.231 0.866 0.915 0.909 0.909 CA 1.500 12 residues pruned to eliminate duplicates Z: 25 27.288 2.198 0.672 0.644 0.917 0.667 CB 1.445 25 residues pruned to eliminate duplicates Z: 12 15.986 2.034 0.405 0.848 0.909 0.727 CA 1.375 12 residues pruned to eliminate duplicates Z: 45 34.936 2.194 0.786 0.576 0.909 0.545 CB 1.374 45 residues pruned to eliminate duplicates Z: 16 5.619 1.730 0.294 0.202 0.733 0.600 CB 1.259 15 residues pruned to eliminate duplicates Z: 15 12.938 1.985 0.775 0.413 0.786 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 30 44.178 2.387 0.800 0.647 1.000 0.621 CB 1.665 30 residues pruned to eliminate duplicates Z: 17 21.375 2.238 0.949 0.395 0.812 0.375 CB 1.685 17 residues pruned to eliminate duplicates Z: 11 26.728 2.185 0.943 0.813 1.000 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 52 44.744 2.314 0.540 0.654 0.980 0.706 CB 1.554 52 residues pruned to eliminate duplicates Z: 6 9.477 1.960 0.430 0.805 0.800 0.800 CA 1.449 6 residues pruned to eliminate duplicates Z: 91 56.772 2.231 0.810 0.579 0.911 0.611 CB 1.508 91 residues pruned to eliminate duplicates Z: 6 8.629 1.871 0.255 0.787 1.000 0.600 CA 1.277 6 residues pruned to eliminate duplicates Z: 6 4.437 1.823 -0.365 0.639 1.000 0.600 CB 1.506 Z: 11 13.784 1.934 0.777 0.504 0.900 0.700 CB 1.404 11 residues pruned to eliminate duplicates Z: 18 32.703 1.963 0.847 0.934 1.000 0.647 CB 1.526 18 residues pruned to eliminate duplicates Z: 17 26.520 2.013 0.713 0.794 1.000 0.625 CA 1.485 17 residues pruned to eliminate duplicates Z: 8 11.017 1.780 0.421 0.878 1.000 0.571 CB 1.194 14 residues pruned to eliminate duplicates Z: 12 25.164 2.407 0.544 0.856 0.909 0.909 CB 1.656 12 residues pruned to eliminate duplicates Z: 7 7.631 1.935 0.160 0.654 1.000 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 6 4.109 1.760 0.155 0.670 0.800 0.800 CA 0.966 Z: 16 20.849 2.062 0.149 0.946 1.000 0.933 CB 1.571 16 residues pruned to eliminate duplicates Z: 27 36.624 2.430 0.874 0.458 0.923 0.423 CB 1.784 27 residues pruned to eliminate duplicates Z: 15 26.468 2.075 0.684 0.932 1.000 0.714 CB 1.414 15 residues pruned to eliminate duplicates Z: 17 26.715 2.004 0.533 0.916 1.000 0.812 CB 1.536 17 residues pruned to eliminate duplicates Z: 17 24.829 2.003 0.905 0.737 0.875 0.625 CA 1.503 17 residues pruned to eliminate duplicates Z: 15 29.911 2.086 0.854 0.944 1.000 0.857 CB 1.432 15 residues pruned to eliminate duplicates Z: 21 24.271 2.104 0.618 0.569 0.950 0.650 CB 1.570 19 residues pruned to eliminate duplicates Z: 8 5.812 1.837 0.300 0.556 0.714 0.286 CB 1.220 Z: 10 5.052 1.899 0.257 0.305 0.778 0.556 CB 1.127 Z: 31 30.485 2.155 0.827 0.567 0.833 0.533 CB 1.590 31 residues pruned to eliminate duplicates Z: 24 20.141 2.111 0.901 0.443 0.870 0.478 CB 1.277 24 residues pruned to eliminate duplicates Z: 7 8.276 1.751 0.453 0.838 1.000 0.500 CB 0.992 7 residues pruned to eliminate duplicates Z: 66 47.183 2.206 0.876 0.587 0.892 0.600 CB 1.458 66 residues pruned to eliminate duplicates Z: 15 19.796 2.069 0.328 0.926 1.000 1.000 CB 1.351 15 residues pruned to eliminate duplicates Z: 36 34.246 2.273 0.730 0.529 0.914 0.714 CB 1.565 36 residues pruned to eliminate duplicates Z: 12 16.675 2.065 0.934 0.912 1.000 0.727 CB 0.891 12 residues pruned to eliminate duplicates Z: 21 22.387 1.957 0.862 0.506 1.000 0.650 CB 1.365 21 residues pruned to eliminate duplicates Z: 6 8.990 1.812 0.359 0.766 1.000 1.000 CA 1.289 6 residues pruned to eliminate duplicates Z: 14 14.245 1.959 0.740 0.465 0.846 0.615 CA 1.419 13 residues pruned to eliminate duplicates Z: 21 52.416 2.403 0.917 0.930 0.950 0.800 CB 1.873 21 residues pruned to eliminate duplicates Z: 17 16.860 2.151 0.549 0.532 0.875 0.500 CB 1.401 17 residues pruned to eliminate duplicates Z: 17 24.189 2.011 1.028 0.601 0.875 0.500 CB 1.538 17 residues pruned to eliminate duplicates Z: 26 26.013 2.282 0.722 0.395 0.880 0.440 CB 1.681 26 residues pruned to eliminate duplicates Z: 16 30.636 2.061 0.738 0.938 1.000 0.733 CB 1.536 16 residues pruned to eliminate duplicates Z: 89 57.186 2.233 0.958 0.552 0.864 0.602 CB 1.534 89 residues pruned to eliminate duplicates Z: 6 10.660 1.600 0.905 0.773 1.000 0.600 CA 1.229 6 residues pruned to eliminate duplicates Z: 36 37.474 2.248 0.978 0.595 0.857 0.543 CB 1.517 36 residues pruned to eliminate duplicates Z: 19 20.880 1.942 0.253 0.935 1.000 1.000 CA 1.409 19 residues pruned to eliminate duplicates Z: 18 24.348 2.016 0.411 0.911 1.000 0.882 CB 1.472 18 residues pruned to eliminate duplicates Z: 23 28.482 2.177 1.103 0.519 0.864 0.727 CB 1.507 23 residues pruned to eliminate duplicates Z: 13 25.007 2.101 0.932 0.901 0.833 0.750 CA 1.522 13 residues pruned to eliminate duplicates Z: 21 39.312 2.176 0.919 0.913 1.000 0.750 CB 1.489 21 residues pruned to eliminate duplicates Z: 13 14.716 2.094 0.490 0.477 0.917 0.583 CA 1.520 13 residues pruned to eliminate duplicates Z: 37 40.790 2.306 0.655 0.693 0.944 0.667 CB 1.581 37 residues pruned to eliminate duplicates Z: 70 34.434 2.080 0.634 0.588 0.884 0.638 CB 1.268 70 residues pruned to eliminate duplicates Z: 14 11.212 1.880 0.154 0.877 1.000 0.615 CB 1.040 14 residues pruned to eliminate duplicates Z: 68 37.143 2.058 0.621 0.600 0.940 0.612 CB 1.315 68 residues pruned to eliminate duplicates Z: 70 42.511 2.136 0.743 0.609 0.870 0.739 CB 1.426 80 residues pruned to eliminate duplicates Z: 28 25.805 2.048 0.759 0.511 0.963 0.741 CB 1.415 28 residues pruned to eliminate duplicates Z: 26 34.436 2.316 0.958 0.503 0.880 0.560 CB 1.721 26 residues pruned to eliminate duplicates Z: 49 36.797 2.127 0.863 0.576 0.875 0.479 CB 1.423 49 residues pruned to eliminate duplicates Z: 15 18.918 2.074 0.753 0.466 0.929 0.714 CA 1.551 15 residues pruned to eliminate duplicates Z: 21 30.931 2.289 0.831 0.485 0.950 0.650 CA 1.762 21 residues pruned to eliminate duplicates Z: 91 61.139 2.233 0.820 0.585 0.944 0.589 CB 1.547 91 residues pruned to eliminate duplicates Z: 10 13.638 2.185 0.579 0.425 0.889 0.556 CA 1.601 10 residues pruned to eliminate duplicates Z: 14 17.866 1.921 0.816 0.859 1.000 0.769 CB 1.045 14 residues pruned to eliminate duplicates Z: 19 24.037 2.080 0.884 0.693 0.944 0.667 CB 1.283 19 residues pruned to eliminate duplicates Z: 7 14.488 1.889 0.719 0.837 1.000 0.500 CA 1.362 8 residues pruned to eliminate duplicates Z: 16 28.946 2.239 0.843 0.822 0.933 0.733 CA 1.468 16 residues pruned to eliminate duplicates Z: 61 44.817 2.130 0.702 0.643 0.933 0.733 CB 1.497 61 residues pruned to eliminate duplicates Z: 14 31.791 2.278 0.852 0.838 1.000 0.692 CB 1.562 14 residues pruned to eliminate duplicates Z: 39 42.453 2.326 0.653 0.643 0.947 0.737 CB 1.654 37 residues pruned to eliminate duplicates Z: 26 23.476 2.032 0.945 0.520 0.840 0.640 CB 1.387 26 residues pruned to eliminate duplicates Z: 20 12.693 1.845 0.446 0.744 0.842 0.579 CB 1.042 20 residues pruned to eliminate duplicates Z: 17 17.793 2.075 0.728 0.528 0.938 0.750 CB 1.288 17 residues pruned to eliminate duplicates Z: 14 13.863 1.969 0.549 0.435 1.000 0.692 CB 1.348 14 residues pruned to eliminate duplicates Z: 6 2.361 1.384 0.209 0.564 0.600 0.400 CB 0.988 6 residues pruned to eliminate duplicates Z: 6 5.473 1.775 -0.053 0.720 1.000 0.200 CA 1.193 6 residues pruned to eliminate duplicates Z: 13 37.524 2.295 0.962 0.838 1.000 0.750 CB 1.797 13 residues pruned to eliminate duplicates Z: 99 57.946 2.230 0.892 0.547 0.898 0.561 CB 1.476 99 residues pruned to eliminate duplicates Z: 43 37.049 2.221 0.930 0.519 0.833 0.571 CB 1.570 43 residues pruned to eliminate duplicates Z: 8 4.467 1.831 -0.119 0.502 0.857 0.429 CB 1.219 Z: 24 28.880 2.063 0.776 0.736 0.957 0.609 CB 1.391 24 residues pruned to eliminate duplicates Z: 21 15.880 1.898 0.644 0.436 0.900 0.600 CB 1.351 21 residues pruned to eliminate duplicates Z: 29 39.712 2.377 1.022 0.529 0.964 0.571 CB 1.574 29 residues pruned to eliminate duplicates Z: 16 27.787 2.289 0.776 0.805 0.867 0.533 CB 1.560 16 residues pruned to eliminate duplicates Z: 11 9.568 1.757 0.477 0.565 0.800 0.600 CB 1.369 11 residues pruned to eliminate duplicates Z: 18 26.990 1.969 0.600 0.936 1.000 0.941 CB 1.447 18 residues pruned to eliminate duplicates Z: 13 18.192 2.057 0.769 0.801 0.917 0.667 CB 1.210 13 residues pruned to eliminate duplicates Z: 13 22.314 2.117 0.609 0.904 0.917 0.667 CB 1.469 13 residues pruned to eliminate duplicates Z: 21 48.653 2.341 0.909 0.923 1.000 0.800 CA 1.711 21 residues pruned to eliminate duplicates Z: 9 14.125 1.830 0.776 0.860 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 17 27.707 2.105 0.608 0.913 1.000 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 6 5.368 1.922 -0.064 0.590 1.000 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 13 16.094 2.128 0.516 0.839 0.833 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 6 8.645 1.843 0.494 0.754 1.000 0.600 CB 1.120 Z: 8 8.836 1.722 0.758 0.515 1.000 0.714 CB 1.086 Z: 30 17.632 2.109 0.591 0.381 0.897 0.552 CB 1.235 30 residues pruned to eliminate duplicates Z: 6 2.794 1.506 0.492 0.298 1.000 0.600 CB 0.697 Z: 81 55.793 2.311 0.651 0.625 0.963 0.663 CB 1.510 81 residues pruned to eliminate duplicates Z: 13 19.696 2.204 0.300 0.835 0.917 0.833 CA 1.621 13 residues pruned to eliminate duplicates Z: 14 32.560 2.294 1.009 0.834 0.923 0.846 CB 1.591 14 residues pruned to eliminate duplicates Z: 14 36.697 2.296 0.893 0.843 1.000 0.769 CB 1.744 14 residues pruned to eliminate duplicates Z: 17 34.045 2.212 0.928 0.776 0.875 0.562 CA 1.787 17 residues pruned to eliminate duplicates Z: 16 49.245 2.271 1.497 0.854 1.000 0.733 CB 1.656 16 residues pruned to eliminate duplicates Z: 35 35.103 2.144 0.615 0.877 0.941 0.765 CB 1.342 35 residues pruned to eliminate duplicates Z: 19 19.516 2.221 0.730 0.433 0.889 0.611 CB 1.444 19 residues pruned to eliminate duplicates Z: 32 38.500 2.314 0.745 0.587 0.968 0.645 CB 1.627 32 residues pruned to eliminate duplicates Z: 8 15.718 2.125 0.898 0.572 0.857 0.714 CA 1.603 8 residues pruned to eliminate duplicates Z: 6 4.602 1.837 0.069 0.660 0.600 0.400 CB 1.507 Z: 32 32.502 2.241 0.748 0.606 0.935 0.581 CB 1.440 32 residues pruned to eliminate duplicates Z: 28 24.052 2.021 0.753 0.519 0.926 0.667 CB 1.385 28 residues pruned to eliminate duplicates Z: 19 9.361 1.952 0.612 0.286 0.667 0.333 CA 1.338 19 residues pruned to eliminate duplicates Z: 49 51.247 2.307 0.741 0.671 0.958 0.646 CB 1.641 42 residues pruned to eliminate duplicates Z: 16 14.454 2.130 0.429 0.554 0.867 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 29 45.713 2.366 0.844 0.655 0.964 0.643 CB 1.778 29 residues pruned to eliminate duplicates Z: 16 16.260 2.023 0.929 0.419 0.800 0.467 CB 1.463 16 residues pruned to eliminate duplicates Z: 18 19.528 2.142 0.807 0.496 0.882 0.588 CB 1.392 18 residues pruned to eliminate duplicates Z: 17 30.766 2.136 0.668 0.926 1.000 0.875 CB 1.513 17 residues pruned to eliminate duplicates Z: 14 32.311 2.158 1.142 0.934 1.000 0.923 CB 1.351 14 residues pruned to eliminate duplicates Z: 82 51.542 2.192 0.937 0.572 0.877 0.568 CB 1.435 82 residues pruned to eliminate duplicates Z: 27 17.490 1.888 0.695 0.541 0.885 0.654 CB 1.163 27 residues pruned to eliminate duplicates Z: 38 31.159 2.154 0.798 0.552 0.838 0.568 CB 1.501 38 residues pruned to eliminate duplicates Z: 20 24.506 1.987 0.756 0.576 1.000 0.684 CB 1.498 20 residues pruned to eliminate duplicates Z: 64 47.109 2.185 0.955 0.533 0.905 0.444 CB 1.486 64 residues pruned to eliminate duplicates Z: 20 31.034 2.447 0.769 0.517 0.842 0.526 CB 1.921 20 residues pruned to eliminate duplicates Z: 35 38.067 2.148 0.766 0.860 0.941 0.706 CB 1.345 35 residues pruned to eliminate duplicates Z: 24 25.708 2.072 0.728 0.561 0.957 0.739 CB 1.475 24 residues pruned to eliminate duplicates Z: 31 20.642 1.997 0.705 0.462 0.867 0.667 CB 1.327 31 residues pruned to eliminate duplicates Z: 8 11.752 2.326 0.668 0.469 0.714 0.571 CB 1.654 8 residues pruned to eliminate duplicates Z: 10 10.803 1.833 0.413 0.749 0.889 0.667 CB 1.252 10 residues pruned to eliminate duplicates Z: 32 32.381 2.198 0.762 0.613 0.903 0.581 CB 1.493 32 residues pruned to eliminate duplicates Z: 8 14.815 1.891 0.535 0.752 1.000 0.857 CB 1.541 8 residues pruned to eliminate duplicates Z: 8 7.121 1.875 0.484 0.539 0.857 0.571 CB 1.086 8 residues pruned to eliminate duplicates Z: 43 27.274 2.044 0.719 0.579 0.833 0.643 CB 1.333 43 residues pruned to eliminate duplicates Z: 13 26.406 2.070 0.751 0.873 1.000 0.917 CB 1.532 13 residues pruned to eliminate duplicates Z: 51 31.250 2.081 0.601 0.598 0.880 0.580 CB 1.373 51 residues pruned to eliminate duplicates Z: 20 19.898 1.909 0.886 0.517 0.895 0.789 CB 1.394 20 residues pruned to eliminate duplicates Z: 10 16.993 2.105 0.400 0.908 1.000 1.000 CB 1.365 10 residues pruned to eliminate duplicates Z: 15 26.112 2.344 0.721 0.821 0.786 0.500 CB 1.667 15 residues pruned to eliminate duplicates Z: 36 31.284 2.101 0.597 0.865 0.914 0.714 CB 1.263 36 residues pruned to eliminate duplicates Z: 15 14.347 1.825 0.363 0.926 1.000 0.929 CB 1.081 Z: 11 18.014 2.022 0.674 0.646 0.900 0.900 CB 1.633 11 residues pruned to eliminate duplicates Z: 16 19.987 1.949 0.587 0.918 0.933 0.600 CB 1.261 16 residues pruned to eliminate duplicates Z: 16 22.848 2.064 0.670 0.730 0.933 0.533 CA 1.491 16 residues pruned to eliminate duplicates Z: 26 16.702 1.896 0.648 0.464 0.800 0.560 CB 1.387 26 residues pruned to eliminate duplicates Z: 7 2.967 1.653 -0.220 0.247 1.000 0.500 C 1.257 Z: 6 5.732 1.895 0.398 0.691 0.800 0.400 CB 1.016 6 residues pruned to eliminate duplicates Z: 32 16.607 1.783 0.723 0.498 0.839 0.452 CB 1.160 32 residues pruned to eliminate duplicates Z: 59 40.351 2.156 0.649 0.650 0.914 0.724 CB 1.418 59 residues pruned to eliminate duplicates Z: 17 29.360 2.007 0.733 0.924 1.000 0.688 CB 1.481 17 residues pruned to eliminate duplicates Z: 21 33.749 2.207 0.809 0.891 0.950 0.700 CB 1.430 21 residues pruned to eliminate duplicates Z: 6 6.779 1.944 -0.182 0.666 1.000 0.800 O 1.636 6 residues pruned to eliminate duplicates Z: 15 26.063 2.126 0.573 0.932 1.000 0.929 CB 1.455 15 residues pruned to eliminate duplicates Z: 7 8.710 1.911 0.564 0.421 0.833 0.333 CA 1.551 7 residues pruned to eliminate duplicates Z: 15 31.392 2.174 0.789 0.838 1.000 0.714 CB 1.612 15 residues pruned to eliminate duplicates Z: 17 29.326 1.993 0.715 0.952 1.000 1.000 CB 1.477 17 residues pruned to eliminate duplicates Z: 9 11.814 1.971 1.018 0.514 0.750 0.625 CB 1.381 9 residues pruned to eliminate duplicates Z: 19 7.579 1.825 0.268 0.271 0.833 0.167 CB 1.201 19 residues pruned to eliminate duplicates Z: 39 33.656 2.251 0.843 0.497 0.842 0.579 CB 1.567 39 residues pruned to eliminate duplicates Z: 13 17.837 1.986 0.788 0.912 0.917 0.250 CB 1.120 13 residues pruned to eliminate duplicates Z: 36 47.626 2.317 0.695 0.852 0.914 0.600 CB 1.658 36 residues pruned to eliminate duplicates Z: 35 33.274 2.227 0.609 0.647 0.941 0.559 CB 1.475 35 residues pruned to eliminate duplicates Z: 7 7.281 1.723 0.317 0.881 1.000 0.667 CB 0.949 6 residues pruned to eliminate duplicates Z: 8 6.372 1.891 0.525 0.225 0.714 0.429 CA 1.613 14 residues pruned to eliminate duplicates Z: 6 5.261 1.783 0.345 0.762 0.800 0.600 CB 0.972 6 residues pruned to eliminate duplicates Z: 47 37.330 2.228 0.709 0.551 0.935 0.522 CB 1.472 47 residues pruned to eliminate duplicates Z: 18 19.004 2.085 0.681 0.496 0.941 0.647 CB 1.402 18 residues pruned to eliminate duplicates Z: 13 18.980 2.025 0.803 0.599 0.917 0.667 CB 1.490 16 residues pruned to eliminate duplicates Z: 21 41.851 2.317 0.853 0.891 0.950 0.800 CA 1.649 21 residues pruned to eliminate duplicates Z: 13 13.452 2.268 0.212 0.757 0.833 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 6 3.090 1.817 0.945 0.559 0.800 0.600 CB 0.461 Z: 15 21.538 2.127 0.589 0.572 1.000 0.571 CA 1.588 14 residues pruned to eliminate duplicates Z: 17 20.210 2.131 0.358 0.821 0.938 0.812 CB 1.409 17 residues pruned to eliminate duplicates Z: 34 25.060 1.965 0.613 0.602 0.970 0.667 CB 1.288 34 residues pruned to eliminate duplicates Z: 33 19.401 1.963 0.693 0.428 0.844 0.625 CB 1.318 33 residues pruned to eliminate duplicates Z: 38 28.180 2.001 0.769 0.624 0.919 0.595 CB 1.267 38 residues pruned to eliminate duplicates Z: 18 31.273 1.932 1.100 0.917 1.000 0.706 CB 1.319 18 residues pruned to eliminate duplicates Z: 25 29.536 2.324 0.644 0.605 0.833 0.667 CB 1.714 25 residues pruned to eliminate duplicates Z: 6 7.898 1.970 0.271 0.805 0.800 0.400 CA 1.351 6 residues pruned to eliminate duplicates Z: 10 19.296 2.089 0.906 0.583 0.889 0.667 CA 1.678 10 residues pruned to eliminate duplicates Z: 22 14.582 2.035 0.567 0.424 0.905 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 6 4.333 1.667 0.433 0.461 0.800 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 20 40.328 2.275 0.870 0.909 1.000 0.789 CB 1.543 20 residues pruned to eliminate duplicates Z: 50 26.618 1.871 0.661 0.567 0.959 0.673 CB 1.196 50 residues pruned to eliminate duplicates Z: 15 21.644 2.085 0.430 0.921 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 14 12.916 1.877 0.128 0.908 1.000 0.923 CB 1.201 14 residues pruned to eliminate duplicates Z: 13 19.787 2.167 0.629 0.480 1.000 0.917 CB 1.652 13 residues pruned to eliminate duplicates Z: 65 42.030 2.180 0.721 0.540 0.922 0.609 CB 1.460 65 residues pruned to eliminate duplicates Z: 12 11.361 1.947 0.761 0.337 0.909 0.364 CB 1.313 12 residues pruned to eliminate duplicates Z: 7 2.021 1.236 -0.330 0.755 0.833 0.333 O 0.953 7 residues pruned to eliminate duplicates Z: 63 51.378 2.332 0.669 0.606 0.903 0.742 CB 1.678 63 residues pruned to eliminate duplicates Z: 114 56.749 2.149 0.709 0.615 0.938 0.655 CB 1.391 114 residues pruned to eliminate duplicates Z: 17 22.576 1.955 0.871 0.838 0.938 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 6 4.026 1.580 0.042 0.752 0.800 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 29 28.125 2.245 0.836 0.448 0.857 0.643 CB 1.587 29 residues pruned to eliminate duplicates Z: 14 36.413 2.297 1.125 0.815 1.000 0.538 CB 1.573 14 residues pruned to eliminate duplicates Z: 21 45.296 2.389 0.821 0.861 1.000 0.750 CB 1.710 21 residues pruned to eliminate duplicates Z: 16 14.962 1.948 0.648 0.387 0.933 0.600 CB 1.454 16 residues pruned to eliminate duplicates Z: 51 50.668 2.300 0.682 0.657 0.980 0.620 CB 1.633 51 residues pruned to eliminate duplicates Z: 19 25.274 1.987 0.980 0.562 1.000 0.667 CB 1.426 20 residues pruned to eliminate duplicates Z: 6 2.076 1.604 0.645 0.299 0.600 0.400 CB 0.734 Z: 9 14.813 2.004 0.459 0.812 1.000 1.000 CA 1.365 9 residues pruned to eliminate duplicates Z: 29 24.264 2.075 0.561 0.638 0.929 0.643 CB 1.340 29 residues pruned to eliminate duplicates Z: 17 16.626 2.098 0.422 0.793 0.875 0.750 CB 1.231 17 residues pruned to eliminate duplicates Z: 15 11.852 1.798 0.086 0.929 1.000 1.000 CB 1.134 15 residues pruned to eliminate duplicates Z: 70 51.031 2.230 0.908 0.592 0.899 0.594 CB 1.471 70 residues pruned to eliminate duplicates Z: 11 10.904 1.766 0.822 0.588 0.800 0.700 N 1.231 Z: 18 26.503 1.986 0.810 0.865 0.941 0.765 CB 1.392 18 residues pruned to eliminate duplicates Z: 8 10.180 1.806 0.707 0.532 0.857 0.286 CB 1.411 8 residues pruned to eliminate duplicates Z: 31 38.744 2.239 0.968 0.540 0.933 0.567 CB 1.654 31 residues pruned to eliminate duplicates Z: 7 6.150 1.514 0.572 0.810 0.833 0.500 CA 0.966 7 residues pruned to eliminate duplicates Z: 14 11.851 1.980 0.168 0.810 0.923 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 6 5.197 1.842 -0.105 0.783 1.000 1.000 CB 1.098 Z: 43 37.857 2.259 0.638 0.523 0.952 0.524 CB 1.620 43 residues pruned to eliminate duplicates Z: 23 36.706 2.275 0.858 0.675 0.955 0.636 CA 1.650 23 residues pruned to eliminate duplicates Z: 12 10.691 1.752 0.767 0.487 0.818 0.636 CA 1.290 12 residues pruned to eliminate duplicates Z: 11 3.890 1.539 0.071 0.330 0.800 0.400 CB 1.124 Z: 9 13.692 2.101 0.662 0.546 0.875 0.750 CB 1.515 9 residues pruned to eliminate duplicates Z: 38 19.844 1.952 0.538 0.493 0.892 0.568 CB 1.226 38 residues pruned to eliminate duplicates Z: 19 23.006 2.132 0.670 0.856 0.889 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 92 61.070 2.312 0.653 0.604 0.978 0.615 CB 1.551 92 residues pruned to eliminate duplicates Z: 9 6.859 1.794 0.716 0.547 0.750 0.625 N 1.003 Z: 19 27.628 2.424 0.755 0.452 0.889 0.556 CB 1.809 19 residues pruned to eliminate duplicates Z: 9 3.857 1.864 -0.090 0.536 0.875 0.375 CB 0.886 Z: 30 27.121 2.168 0.675 0.567 0.897 0.586 CB 1.451 30 residues pruned to eliminate duplicates Z: 37 54.124 2.359 0.817 0.853 0.944 0.722 CB 1.647 37 residues pruned to eliminate duplicates Z: 12 5.023 1.749 -0.090 0.511 0.909 0.545 CB 1.035 9 residues pruned to eliminate duplicates Z: 18 18.297 2.043 0.699 0.763 0.824 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 8 4.974 1.875 -0.224 0.509 1.000 0.429 CB 1.280 6 residues pruned to eliminate duplicates Z: 12 28.740 2.313 0.722 0.812 1.000 0.727 CA 1.659 12 residues pruned to eliminate duplicates Z: 14 18.307 1.885 0.556 0.942 1.000 0.923 CB 1.200 14 residues pruned to eliminate duplicates Z: 15 16.289 1.808 0.469 0.930 1.000 0.929 CB 1.146 15 residues pruned to eliminate duplicates Z: 17 22.302 2.018 0.485 0.897 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 53 38.003 2.150 0.701 0.695 0.885 0.673 CB 1.363 53 residues pruned to eliminate duplicates Z: 11 32.801 2.281 1.033 0.867 1.000 0.800 CB 1.636 11 residues pruned to eliminate duplicates Z: 33 37.566 2.193 0.690 0.864 0.969 0.719 CB 1.356 33 residues pruned to eliminate duplicates Z: 21 26.825 2.216 0.526 0.826 0.900 0.750 CB 1.486 21 residues pruned to eliminate duplicates Z: 38 58.059 2.379 0.840 0.876 0.946 0.703 CB 1.676 38 residues pruned to eliminate duplicates Z: 12 22.246 2.189 0.759 0.567 1.000 0.818 CB 1.633 12 residues pruned to eliminate duplicates Z: 24 40.643 2.358 0.933 0.642 0.957 0.739 CB 1.702 24 residues pruned to eliminate duplicates Z: 7 2.220 1.740 -0.083 0.532 0.833 0.500 CB 0.661 5 residues pruned to eliminate duplicates Z: 19 42.070 2.265 1.055 0.943 1.000 0.889 CB 1.476 19 residues pruned to eliminate duplicates Z: 36 32.906 2.192 0.711 0.610 0.914 0.629 CB 1.461 36 residues pruned to eliminate duplicates Z: 52 42.001 2.160 0.899 0.676 0.882 0.431 CB 1.382 52 residues pruned to eliminate duplicates Z: 14 12.920 1.862 0.428 0.924 0.846 0.846 CB 1.119 14 residues pruned to eliminate duplicates Z: 14 40.218 2.249 1.045 0.844 1.000 0.615 CB 1.805 14 residues pruned to eliminate duplicates Z: 6 3.463 1.612 0.685 0.267 0.600 0.600 CB 1.240 Z: 23 29.162 2.270 0.713 0.574 0.864 0.545 CB 1.724 23 residues pruned to eliminate duplicates Z: 12 14.822 1.882 0.701 0.558 0.909 0.636 CB 1.453 12 residues pruned to eliminate duplicates Z: 17 25.471 2.026 0.419 0.936 1.000 0.938 CB 1.543 17 residues pruned to eliminate duplicates Z: 9 16.219 2.012 0.570 0.865 1.000 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 15 12.199 1.748 0.175 0.920 1.000 0.857 CB 1.118 15 residues pruned to eliminate duplicates Z: 99 65.239 2.213 0.968 0.578 0.939 0.592 CB 1.496 99 residues pruned to eliminate duplicates Z: 15 12.085 1.793 0.058 0.933 1.000 0.929 CB 1.188 15 residues pruned to eliminate duplicates Z: 16 46.973 2.507 1.214 0.815 0.933 0.733 CB 1.781 16 residues pruned to eliminate duplicates Z: 11 18.544 2.048 0.681 0.697 1.000 0.800 CB 1.423 14 residues pruned to eliminate duplicates Z: 33 21.274 1.906 0.781 0.478 0.875 0.625 CB 1.295 33 residues pruned to eliminate duplicates Z: 9 11.038 1.915 0.641 0.484 0.875 0.625 CB 1.442 Z: 10 15.320 1.949 0.580 0.820 1.000 0.667 CA 1.257 9 residues pruned to eliminate duplicates Z: 19 9.738 1.976 0.455 0.297 0.833 0.222 CB 1.202 19 residues pruned to eliminate duplicates Z: 24 14.899 2.000 0.384 0.366 0.913 0.478 CA 1.419 24 residues pruned to eliminate duplicates Z: 17 26.485 2.011 0.554 0.916 1.000 0.875 CB 1.496 16 residues pruned to eliminate duplicates Z: 8 2.545 1.449 0.202 0.268 0.714 0.286 N 1.007 Z: 27 16.438 1.876 0.516 0.537 0.923 0.615 CB 1.185 27 residues pruned to eliminate duplicates Z: 18 28.679 2.353 0.736 0.502 0.941 0.647 CA 1.805 18 residues pruned to eliminate duplicates Z: 6 16.150 2.267 0.856 0.705 1.000 0.400 CB 1.423 6 residues pruned to eliminate duplicates Z: 44 34.722 2.127 0.816 0.622 0.884 0.558 CB 1.383 44 residues pruned to eliminate duplicates Z: 15 19.991 2.075 0.231 0.924 1.000 1.000 CB 1.468 15 residues pruned to eliminate duplicates Z: 31 36.310 2.040 0.857 0.686 0.967 0.733 CB 1.527 31 residues pruned to eliminate duplicates Z: 11 16.432 1.982 0.503 0.638 1.000 0.700 CB 1.534 11 residues pruned to eliminate duplicates Z: 31 30.912 2.174 0.769 0.603 0.933 0.733 CB 1.425 31 residues pruned to eliminate duplicates Z: 8 5.516 1.833 -0.139 0.576 1.000 0.714 CB 1.228 5 residues pruned to eliminate duplicates Z: 7 3.528 1.729 0.083 0.618 0.833 0.667 CB 0.826 7 residues pruned to eliminate duplicates Z: 62 50.977 2.132 1.022 0.598 0.918 0.607 CB 1.503 62 residues pruned to eliminate duplicates Z: 14 38.339 2.314 1.073 0.856 1.000 0.615 CB 1.635 14 residues pruned to eliminate duplicates Z: 32 22.919 2.016 0.588 0.547 0.903 0.581 CB 1.360 32 residues pruned to eliminate duplicates Z: 15 21.429 2.231 0.865 0.475 0.929 0.714 CB 1.521 15 residues pruned to eliminate duplicates Z: 6 25.660 2.559 1.086 0.697 1.000 1.000 CA 1.796 6 residues pruned to eliminate duplicates Z: 18 28.966 1.863 0.689 0.899 1.000 0.765 CA 1.596 18 residues pruned to eliminate duplicates Z: 25 26.380 1.981 1.022 0.696 0.875 0.458 CB 1.285 25 residues pruned to eliminate duplicates Z: 9 12.425 1.980 1.024 0.413 0.750 0.625 CA 1.600 9 residues pruned to eliminate duplicates Z: 20 46.392 2.426 0.869 0.925 0.947 0.842 CA 1.738 20 residues pruned to eliminate duplicates Z: 17 9.941 1.763 0.511 0.472 0.875 0.625 CB 1.097 17 residues pruned to eliminate duplicates Z: 7 5.147 1.844 -0.151 0.626 1.000 0.833 CB 1.191 7 residues pruned to eliminate duplicates Z: 17 30.967 1.975 0.855 0.928 1.000 0.938 CB 1.479 17 residues pruned to eliminate duplicates Z: 10 8.765 1.785 0.396 0.325 0.889 0.556 CB 1.599 7 residues pruned to eliminate duplicates Z: 34 41.067 2.136 1.122 0.651 0.848 0.576 CB 1.615 34 residues pruned to eliminate duplicates Z: 27 22.721 2.038 0.702 0.531 0.923 0.654 CB 1.350 27 residues pruned to eliminate duplicates Z: 18 13.623 2.003 0.824 0.444 0.824 0.588 CB 1.164 7 residues pruned to eliminate duplicates Z: 12 22.025 2.182 0.620 0.847 0.909 0.636 CB 1.534 12 residues pruned to eliminate duplicates Z: 23 20.405 1.880 0.709 0.482 1.000 0.682 CB 1.380 23 residues pruned to eliminate duplicates Z: 13 11.715 1.868 0.094 0.917 1.000 1.000 CB 1.168 13 residues pruned to eliminate duplicates Z: 52 34.907 2.196 0.556 0.594 0.961 0.706 CB 1.360 52 residues pruned to eliminate duplicates Z: 7 3.516 1.692 0.573 0.674 0.833 0.667 CB 0.551 7 residues pruned to eliminate duplicates Z: 21 30.285 2.293 0.732 0.617 0.850 0.650 CA 1.796 21 residues pruned to eliminate duplicates Z: 8 3.682 1.514 0.839 0.313 0.571 0.143 CA 1.076 Z: 10 7.262 2.064 0.487 0.493 0.556 0.556 CB 1.429 10 residues pruned to eliminate duplicates Z: 15 19.160 1.792 0.758 0.940 1.000 0.857 CB 1.129 15 residues pruned to eliminate duplicates Z: 35 31.066 2.051 0.674 0.673 0.912 0.706 CB 1.451 35 residues pruned to eliminate duplicates Z: 21 16.667 1.887 0.485 0.592 0.950 0.550 CB 1.281 21 residues pruned to eliminate duplicates Z: 6 7.492 1.748 0.403 0.727 1.000 0.800 CB 1.113 6 residues pruned to eliminate duplicates Z: 6 3.329 2.089 0.393 0.100 0.600 0.400 CB 1.420 6 residues pruned to eliminate duplicates Z: 14 19.138 1.901 0.627 0.927 1.000 0.769 CB 1.203 14 residues pruned to eliminate duplicates Z: 11 16.953 2.132 0.902 0.911 0.900 0.500 CB 1.041 11 residues pruned to eliminate duplicates Z: 7 11.271 2.052 0.361 0.563 1.000 0.500 CB 1.550 7 residues pruned to eliminate duplicates Z: 28 24.164 2.047 0.809 0.432 0.852 0.593 CB 1.581 28 residues pruned to eliminate duplicates Z: 62 51.005 2.275 0.852 0.568 0.934 0.705 CB 1.554 62 residues pruned to eliminate duplicates Z: 21 41.856 2.414 1.162 0.676 1.000 0.600 CB 1.526 21 residues pruned to eliminate duplicates Z: 7 6.590 1.777 -0.025 0.709 1.000 0.667 CB 1.284 8 residues pruned to eliminate duplicates Z: 15 51.641 2.362 1.388 0.919 1.000 0.714 CA 1.723 15 residues pruned to eliminate duplicates Z: 9 11.982 2.184 0.825 0.453 0.875 0.750 CB 1.274 9 residues pruned to eliminate duplicates Z: 11 28.339 2.293 0.961 0.741 1.000 0.500 CB 1.606 11 residues pruned to eliminate duplicates Z: 18 27.129 2.216 0.651 0.860 0.941 0.706 CB 1.405 18 residues pruned to eliminate duplicates Z: 46 40.402 2.254 0.790 0.525 0.911 0.644 CB 1.598 46 residues pruned to eliminate duplicates Z: 9 16.402 1.983 0.676 0.858 1.000 0.500 CB 1.285 9 residues pruned to eliminate duplicates Z: 19 17.110 2.176 0.481 0.502 0.889 0.611 CB 1.404 19 residues pruned to eliminate duplicates Z: 29 23.032 2.108 0.258 0.830 0.929 0.714 CB 1.328 29 residues pruned to eliminate duplicates Z: 14 33.544 2.309 0.866 0.841 1.000 0.692 CB 1.610 14 residues pruned to eliminate duplicates Z: 14 18.694 1.949 1.048 0.555 0.923 0.769 CB 1.334 14 residues pruned to eliminate duplicates Z: 15 11.432 1.805 0.104 0.891 1.000 0.786 CB 1.103 15 residues pruned to eliminate duplicates Z: 12 18.015 2.217 0.059 0.883 1.000 0.909 CB 1.672 12 residues pruned to eliminate duplicates Z: 31 30.434 2.146 0.926 0.537 0.833 0.600 CB 1.555 31 residues pruned to eliminate duplicates Z: 7 4.292 1.445 0.507 0.450 1.000 0.500 CB 0.847 Z: 18 13.128 2.149 0.319 0.413 0.824 0.824 CB 1.493 18 residues pruned to eliminate duplicates Z: 12 17.104 2.102 0.550 0.595 1.000 0.727 CA 1.445 Z: 7 5.465 1.725 0.350 0.566 0.833 0.500 CB 1.078 Z: 17 32.547 2.428 0.727 0.762 0.875 0.812 CB 1.758 17 residues pruned to eliminate duplicates Z: 7 7.953 1.752 0.318 0.690 0.833 0.667 CB 1.418 Z: 14 27.421 2.245 0.704 0.640 1.000 0.692 CA 1.743 14 residues pruned to eliminate duplicates Z: 38 35.347 2.180 0.785 0.679 0.865 0.595 CB 1.465 38 residues pruned to eliminate duplicates Z: 34 29.499 2.285 0.743 0.469 0.818 0.576 CB 1.625 34 residues pruned to eliminate duplicates Z: 51 42.697 2.276 0.631 0.592 0.980 0.820 CB 1.521 63 residues pruned to eliminate duplicates Z: 47 47.116 2.234 0.885 0.597 0.978 0.630 CB 1.536 47 residues pruned to eliminate duplicates Z: 22 20.458 1.872 0.768 0.454 0.952 0.571 CB 1.485 22 residues pruned to eliminate duplicates Z: 12 8.222 1.632 0.250 0.770 0.909 0.727 CA 1.053 12 residues pruned to eliminate duplicates Z: 15 14.960 1.871 0.650 0.601 0.857 0.643 CB 1.372 15 residues pruned to eliminate duplicates Z: 14 25.575 2.237 0.778 0.841 0.923 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 34 31.942 2.137 0.668 0.589 0.970 0.727 CB 1.478 34 residues pruned to eliminate duplicates Z: 16 17.545 1.780 0.408 0.875 1.000 0.733 CB 1.314 16 residues pruned to eliminate duplicates Z: 41 32.154 2.213 0.727 0.479 0.850 0.475 CB 1.598 41 residues pruned to eliminate duplicates Z: 7 7.315 1.715 0.423 0.763 0.833 0.833 CB 1.163 7 residues pruned to eliminate duplicates Z: 6 4.114 1.794 0.225 0.298 0.800 0.600 CB 1.310 6 residues pruned to eliminate duplicates Z: 11 3.503 1.510 0.642 0.219 0.600 0.300 CA 1.036 7 1.143 1.683 -0.009 0.438 0.667 0.667 CB 0.448 ? Z: 15 26.326 2.088 0.571 0.938 1.000 0.929 CB 1.492 15 residues pruned to eliminate duplicates Z: 13 11.990 2.098 0.380 0.499 0.917 0.667 CB 1.305 13 residues pruned to eliminate duplicates Z: 6 3.057 1.607 0.790 0.567 0.800 0.400 CB 0.557 Z: 28 25.670 2.183 0.615 0.443 0.852 0.630 CB 1.744 28 residues pruned to eliminate duplicates Z: 16 20.427 2.316 0.688 0.459 0.800 0.667 CA 1.757 16 residues pruned to eliminate duplicates Z: 15 21.329 2.057 0.703 0.526 1.000 0.786 CB 1.585 15 residues pruned to eliminate duplicates Z: 62 57.009 2.365 0.729 0.571 0.967 0.705 CB 1.722 62 residues pruned to eliminate duplicates Z: 15 19.143 2.032 0.785 0.429 1.000 0.857 CB 1.519 16 residues pruned to eliminate duplicates Z: 16 10.186 1.739 0.283 0.853 0.933 0.800 CB 0.934 16 residues pruned to eliminate duplicates Z: 33 30.614 2.162 0.570 0.653 0.938 0.719 CB 1.476 33 residues pruned to eliminate duplicates Z: 23 34.470 2.184 0.936 0.759 0.955 0.773 CB 1.446 23 residues pruned to eliminate duplicates Z: 7 11.886 2.102 1.183 0.409 0.667 0.500 CB 1.745 7 residues pruned to eliminate duplicates Z: 10 5.661 1.676 0.287 0.608 0.889 0.556 CB 0.888 10 residues pruned to eliminate duplicates Z: 17 4.257 1.610 0.080 0.223 0.750 0.562 CB 1.129 17 residues pruned to eliminate duplicates Z: 20 35.533 2.226 0.849 0.904 0.947 0.632 CB 1.489 20 residues pruned to eliminate duplicates Z: 60 50.283 2.260 0.817 0.551 0.915 0.712 CB 1.658 60 residues pruned to eliminate duplicates Z: 60 47.339 2.239 0.876 0.557 0.932 0.576 CB 1.489 60 residues pruned to eliminate duplicates Z: 21 17.786 2.094 0.677 0.458 0.900 0.600 CB 1.313 32 residues pruned to eliminate duplicates Z: 16 20.030 1.942 0.467 0.889 0.933 0.867 CB 1.401 16 residues pruned to eliminate duplicates Z: 23 23.503 2.238 0.545 0.411 0.955 0.591 CB 1.666 23 residues pruned to eliminate duplicates Z: 25 19.410 1.955 0.614 0.623 0.875 0.458 CB 1.278 25 residues pruned to eliminate duplicates Z: 20 19.280 2.114 0.881 0.535 0.895 0.579 CB 1.201 20 residues pruned to eliminate duplicates Z: 7 8.405 1.614 0.440 0.737 1.000 1.000 N 1.193 7 residues pruned to eliminate duplicates Z: 6 8.688 2.117 0.910 0.458 0.800 0.600 CA 1.255 6 residues pruned to eliminate duplicates Z: 15 8.406 1.879 0.509 0.380 0.714 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 15 18.146 1.821 0.671 0.923 1.000 0.929 CB 1.120 15 residues pruned to eliminate duplicates Z: 15 15.549 1.794 0.856 0.519 0.857 0.500 CB 1.429 15 residues pruned to eliminate duplicates Z: 61 44.345 2.084 0.919 0.594 0.917 0.550 CB 1.427 61 residues pruned to eliminate duplicates Z: 7 3.624 1.586 -0.060 0.568 0.833 0.667 CB 1.116 7 residues pruned to eliminate duplicates Z: 7 7.362 1.888 0.770 0.455 1.000 0.667 CB 0.941 7 residues pruned to eliminate duplicates Z: 12 14.025 1.827 0.589 0.597 1.000 0.727 CB 1.327 12 residues pruned to eliminate duplicates Z: 14 20.133 2.113 0.568 0.602 0.923 0.846 CB 1.658 14 residues pruned to eliminate duplicates Z: 24 29.158 2.184 0.667 0.533 0.957 0.696 CB 1.691 24 residues pruned to eliminate duplicates Z: 19 21.509 2.076 0.716 0.518 0.944 0.778 CB 1.480 19 residues pruned to eliminate duplicates Z: 10 13.757 1.887 0.354 0.846 1.000 1.000 CB 1.333 10 residues pruned to eliminate duplicates Z: 16 22.697 1.967 0.654 0.874 0.933 0.867 CB 1.405 16 residues pruned to eliminate duplicates Z: 35 36.566 2.229 0.972 0.547 0.882 0.618 CB 1.545 35 residues pruned to eliminate duplicates Z: 28 23.846 2.243 0.891 0.303 0.815 0.444 CB 1.655 28 residues pruned to eliminate duplicates Z: 26 18.494 1.920 0.703 0.533 0.880 0.640 CB 1.244 26 residues pruned to eliminate duplicates Z: 73 52.372 2.263 0.807 0.600 0.917 0.639 CB 1.498 73 residues pruned to eliminate duplicates Z: 13 14.972 2.025 0.613 0.460 1.000 0.500 CB 1.378 13 residues pruned to eliminate duplicates Z: 15 28.707 2.073 0.759 0.843 1.000 0.643 CB 1.566 15 residues pruned to eliminate duplicates Z: 23 18.538 2.024 0.466 0.468 0.955 0.636 CB 1.441 23 residues pruned to eliminate duplicates Z: 6 2.538 1.553 -0.020 0.519 0.800 0.600 C 0.914 Z: 6 17.425 2.068 0.705 0.874 1.000 1.000 CA 1.608 6 residues pruned to eliminate duplicates Z: 10 8.592 1.817 0.240 0.729 0.889 0.778 CA 1.163 10 residues pruned to eliminate duplicates Z: 25 17.682 1.804 0.569 0.579 0.917 0.708 CB 1.289 25 residues pruned to eliminate duplicates Z: 17 10.960 1.885 0.362 0.563 0.812 0.688 CB 1.236 17 residues pruned to eliminate duplicates Z: 18 16.174 1.988 0.737 0.442 0.824 0.588 CB 1.464 18 residues pruned to eliminate duplicates Z: 17 17.938 2.012 0.952 0.498 0.812 0.688 CB 1.408 17 residues pruned to eliminate duplicates Z: 16 13.836 1.983 0.910 0.378 0.800 0.533 CA 1.342 16 residues pruned to eliminate duplicates Z: 7 2.097 1.490 0.832 0.083 0.500 0.333 O 1.076 Z: 10 2.220 1.469 0.290 0.166 0.667 0.222 CA 0.879 10 residues pruned to eliminate duplicates Z: 22 50.836 2.338 0.963 0.834 1.000 0.762 CB 1.811 22 residues pruned to eliminate duplicates Z: 19 32.785 2.277 0.584 0.893 1.000 0.722 CB 1.539 19 residues pruned to eliminate duplicates Z: 6 5.660 1.561 0.393 0.728 1.000 1.000 CB 0.948 Z: 15 13.458 1.743 0.452 0.904 1.000 0.714 CB 1.012 15 residues pruned to eliminate duplicates Z: 12 16.100 1.984 0.862 0.892 0.909 0.727 CB 1.039 12 residues pruned to eliminate duplicates Z: 9 3.349 1.626 0.503 0.370 0.625 0.250 CB 0.891 9 residues pruned to eliminate duplicates Z: 9 8.018 1.775 0.651 0.633 0.875 0.375 CB 0.976 Z: 55 34.831 2.068 0.610 0.627 0.889 0.722 CB 1.421 55 residues pruned to eliminate duplicates Z: 24 24.627 2.201 0.810 0.636 0.783 0.478 CB 1.450 24 residues pruned to eliminate duplicates Z: 28 42.223 2.404 0.763 0.643 0.926 0.704 CB 1.812 28 residues pruned to eliminate duplicates Z: 7 2.758 1.535 -0.116 0.370 0.833 0.833 CB 1.144 Z: 27 13.437 1.811 0.369 0.479 0.885 0.615 CB 1.228 27 residues pruned to eliminate duplicates Z: 11 18.259 2.153 0.818 0.491 0.900 0.800 CB 1.655 11 residues pruned to eliminate duplicates Z: 18 26.599 2.017 0.520 0.928 1.000 0.882 CB 1.473 18 residues pruned to eliminate duplicates Z: 33 24.483 2.149 0.647 0.574 0.875 0.562 CB 1.301 33 residues pruned to eliminate duplicates Z: 16 38.872 2.313 0.965 0.801 1.000 0.867 CB 1.697 16 residues pruned to eliminate duplicates Z: 10 5.078 1.665 0.690 0.256 1.000 0.333 CB 0.795 Z: 18 11.155 1.890 0.898 0.176 0.765 0.353 CB 1.459 18 residues pruned to eliminate duplicates Z: 11 6.960 1.852 0.566 0.344 0.600 0.400 CA 1.499 11 residues pruned to eliminate duplicates Z: 67 40.323 2.097 0.728 0.547 0.939 0.636 CB 1.393 67 residues pruned to eliminate duplicates Z: 13 11.365 2.098 0.812 0.334 0.750 0.417 CB 1.379 13 residues pruned to eliminate duplicates Z: 26 28.300 2.045 0.838 0.526 1.000 0.640 CB 1.467 26 residues pruned to eliminate duplicates Z: 40 37.284 2.152 1.107 0.536 0.872 0.590 CB 1.457 40 residues pruned to eliminate duplicates Z: 12 16.934 2.025 0.547 0.896 1.000 0.818 CB 1.168 12 residues pruned to eliminate duplicates Z: 8 3.562 1.522 0.262 0.512 0.857 0.571 CB 0.808 Z: 14 25.683 1.936 0.950 0.897 1.000 0.769 CA 1.351 14 residues pruned to eliminate duplicates Z: 36 35.165 2.140 0.997 0.586 0.829 0.629 CB 1.545 36 residues pruned to eliminate duplicates Z: 25 22.314 2.010 0.846 0.619 0.875 0.542 CB 1.254 25 residues pruned to eliminate duplicates Z: 15 19.582 2.068 0.195 0.945 1.000 0.929 CB 1.466 15 residues pruned to eliminate duplicates Z: 17 21.580 1.934 0.273 0.888 1.000 0.688 CB 1.579 17 residues pruned to eliminate duplicates Z: 6 7.874 1.989 0.663 0.714 0.600 0.200 CA 1.462 6 residues pruned to eliminate duplicates Z: 38 56.267 2.342 0.826 0.858 0.946 0.730 CB 1.684 38 residues pruned to eliminate duplicates Z: 21 17.794 2.139 0.937 0.248 0.850 0.300 CB 1.510 21 residues pruned to eliminate duplicates Z: 14 11.577 1.982 0.926 0.295 0.769 0.308 CA 1.375 14 residues pruned to eliminate duplicates Z: 27 19.590 1.918 1.080 0.382 0.808 0.500 CB 1.352 27 residues pruned to eliminate duplicates Z: 77 45.573 2.152 0.816 0.577 0.895 0.513 CB 1.388 77 residues pruned to eliminate duplicates Z: 13 16.480 2.129 0.515 0.466 1.000 0.500 CB 1.528 13 residues pruned to eliminate duplicates Z: 38 26.093 2.015 0.645 0.582 0.838 0.676 CB 1.426 38 residues pruned to eliminate duplicates Z: 14 14.570 1.798 0.597 0.611 1.000 0.769 CB 1.267 14 residues pruned to eliminate duplicates Z: 16 29.879 2.217 0.917 0.803 0.933 0.600 CB 1.492 16 residues pruned to eliminate duplicates Z: 34 33.555 2.170 0.685 0.614 0.939 0.606 CB 1.527 34 residues pruned to eliminate duplicates Z: 13 9.659 1.939 0.893 0.377 0.833 0.583 CB 1.040 13 residues pruned to eliminate duplicates Z: 26 21.486 2.041 0.589 0.640 0.880 0.680 CB 1.321 26 residues pruned to eliminate duplicates Z: 65 50.708 2.310 0.746 0.551 0.938 0.641 CB 1.595 65 residues pruned to eliminate duplicates Z: 10 32.299 2.329 1.148 0.902 1.000 0.667 CA 1.535 10 residues pruned to eliminate duplicates Z: 30 40.596 2.337 0.859 0.633 0.897 0.552 CB 1.708 30 residues pruned to eliminate duplicates Z: 20 22.797 2.034 0.610 0.562 1.000 0.842 CB 1.504 20 residues pruned to eliminate duplicates Z: 57 34.043 2.017 0.600 0.652 0.929 0.661 CB 1.318 57 residues pruned to eliminate duplicates Z: 6 4.514 1.722 0.321 0.486 1.000 0.600 CB 0.900 Z: 15 10.263 1.968 0.677 0.319 0.857 0.357 CB 1.184 15 residues pruned to eliminate duplicates Z: 22 20.122 2.139 0.506 0.470 0.905 0.619 CB 1.553 22 residues pruned to eliminate duplicates Z: 38 32.704 2.209 0.807 0.542 0.919 0.541 CB 1.406 38 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 11.154 1.805 0.445 0.866 1.000 0.857 CA 1.183 8 residues pruned to eliminate duplicates Z: 20 20.680 1.911 0.837 0.506 1.000 0.789 CB 1.344 20 residues pruned to eliminate duplicates Z: 19 25.048 1.999 0.887 0.546 1.000 0.722 CB 1.496 19 residues pruned to eliminate duplicates Z: 20 21.112 1.853 1.003 0.520 0.947 0.684 CB 1.350 20 residues pruned to eliminate duplicates Z: 8 13.792 1.827 0.738 0.874 1.000 0.714 CB 1.195 8 residues pruned to eliminate duplicates Z: 20 21.888 1.918 0.875 0.516 1.000 0.684 CB 1.375 20 residues pruned to eliminate duplicates Z: 19 23.190 2.003 0.841 0.484 1.000 0.500 CB 1.507 19 residues pruned to eliminate duplicates Z: 20 18.087 1.905 0.807 0.531 0.895 0.684 CB 1.307 20 residues pruned to eliminate duplicates Z: 19 25.352 1.991 0.938 0.561 1.000 0.667 CB 1.459 19 residues pruned to eliminate duplicates Z: 20 22.040 1.897 0.854 0.537 1.000 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 19 21.585 1.940 0.805 0.518 1.000 0.667 CB 1.428 19 residues pruned to eliminate duplicates Z: 6 2.630 1.262 0.457 0.427 0.800 0.400 N 0.863 6 residues pruned to eliminate duplicates Z: 20 20.449 1.885 0.962 0.528 0.947 0.632 CB 1.302 20 residues pruned to eliminate duplicates Z: 19 24.451 1.960 0.943 0.501 1.000 0.667 CB 1.511 20 residues pruned to eliminate duplicates Z: 8 5.806 1.540 0.608 0.416 1.000 0.571 CB 0.967 8 residues pruned to eliminate duplicates Z: 20 23.833 1.967 0.864 0.533 1.000 0.579 CB 1.444 18 residues pruned to eliminate duplicates 6 1.742 1.558 0.090 0.331 0.600 0.600 CB 0.920 ? Z: 6 5.846 1.700 0.294 0.445 1.000 0.800 O 1.259 7 residues pruned to eliminate duplicates Z: 7 6.066 1.906 0.132 0.350 1.000 0.500 CA 1.350 7 residues pruned to eliminate duplicates Z: 48 33.579 2.065 0.747 0.501 0.915 0.447 CB 1.483 64 residues pruned to eliminate duplicates Z: 19 15.517 1.854 0.645 0.489 0.944 0.556 CB 1.283 Z: 6 2.134 1.633 0.691 0.301 0.400 0.400 CB 1.078 6 residues pruned to eliminate duplicates Z: 37 39.776 2.149 0.838 0.659 0.972 0.722 CB 1.489 56 residues pruned to eliminate duplicates Z: 56 37.174 2.088 0.719 0.500 0.945 0.564 CB 1.478 56 residues pruned to eliminate duplicates Z: 17 25.697 1.994 0.513 0.850 1.000 0.812 CB 1.578 17 residues pruned to eliminate duplicates Z: 16 23.342 2.003 0.403 0.928 1.000 0.933 CB 1.503 16 residues pruned to eliminate duplicates Z: 16 25.998 2.067 0.571 0.875 0.933 0.867 CB 1.611 16 residues pruned to eliminate duplicates Z: 18 26.892 1.944 0.705 0.866 1.000 0.765 CB 1.440 18 residues pruned to eliminate duplicates Z: 18 26.632 1.949 0.651 0.876 1.000 0.529 CB 1.459 18 residues pruned to eliminate duplicates Z: 16 30.558 2.030 0.738 0.937 1.000 0.733 CB 1.555 16 residues pruned to eliminate duplicates Z: 17 27.148 2.025 0.613 0.908 0.938 0.812 CB 1.574 17 residues pruned to eliminate duplicates Z: 16 29.752 2.034 0.703 0.925 1.000 0.733 CB 1.556 16 residues pruned to eliminate duplicates Z: 15 31.688 2.115 0.732 0.942 1.000 0.857 CB 1.603 16 residues pruned to eliminate duplicates Z: 17 26.965 2.000 0.689 0.909 0.938 0.875 CB 1.511 17 residues pruned to eliminate duplicates Z: 17 27.861 2.023 0.718 0.907 0.938 0.812 CB 1.519 17 residues pruned to eliminate duplicates Z: 15 31.129 2.115 0.641 0.949 1.000 0.929 CB 1.655 15 residues pruned to eliminate duplicates Z: 17 29.949 2.011 0.744 0.935 1.000 0.688 CB 1.488 17 residues pruned to eliminate duplicates Z: 17 30.306 2.013 0.807 0.927 0.938 0.688 CB 1.557 17 residues pruned to eliminate duplicates Z: 40 36.693 2.200 0.790 0.653 0.923 0.718 CB 1.402 40 residues pruned to eliminate duplicates Z: 43 39.224 2.115 0.935 0.604 0.929 0.548 CB 1.443 43 residues pruned to eliminate duplicates Z: 43 35.311 2.174 0.546 0.718 0.929 0.714 CB 1.433 43 residues pruned to eliminate duplicates Z: 30 34.155 2.222 0.678 0.641 0.931 0.690 CB 1.601 30 residues pruned to eliminate duplicates Z: 54 53.218 2.337 0.938 0.552 0.887 0.604 CB 1.729 54 residues pruned to eliminate duplicates Z: 32 31.970 2.234 0.826 0.606 0.903 0.548 CB 1.409 32 residues pruned to eliminate duplicates Z: 31 35.963 2.223 0.795 0.606 0.933 0.500 CB 1.595 31 residues pruned to eliminate duplicates Z: 32 31.690 2.202 0.664 0.583 0.935 0.613 CB 1.533 32 residues pruned to eliminate duplicates Z: 44 34.160 2.136 0.588 0.685 0.930 0.674 CB 1.394 44 residues pruned to eliminate duplicates Z: 39 24.939 2.074 0.583 0.536 0.868 0.605 CB 1.370 39 residues pruned to eliminate duplicates Z: 41 36.947 2.148 0.761 0.637 0.950 0.575 CB 1.430 41 residues pruned to eliminate duplicates Z: 41 33.015 2.131 0.761 0.602 0.950 0.650 CB 1.328 41 residues pruned to eliminate duplicates Z: 32 37.738 2.254 0.797 0.648 0.935 0.742 CB 1.558 32 residues pruned to eliminate duplicates Z: 40 35.807 2.170 0.771 0.653 0.949 0.718 CB 1.364 40 residues pruned to eliminate duplicates Z: 34 36.583 2.193 0.675 0.843 0.909 0.788 CB 1.420 34 residues pruned to eliminate duplicates Z: 41 36.642 2.118 0.717 0.625 0.950 0.600 CB 1.491 41 residues pruned to eliminate duplicates Z: 29 34.106 2.255 0.678 0.642 0.929 0.607 CB 1.606 29 residues pruned to eliminate duplicates Z: 43 37.518 2.185 0.567 0.693 0.929 0.667 CB 1.527 43 residues pruned to eliminate duplicates Z: 41 35.417 2.066 0.782 0.637 0.950 0.550 CB 1.408 41 residues pruned to eliminate duplicates Z: 38 30.070 2.177 0.743 0.537 0.811 0.595 CB 1.550 38 residues pruned to eliminate duplicates Z: 31 30.725 2.200 0.700 0.627 0.867 0.533 CB 1.536 31 residues pruned to eliminate duplicates Z: 24 37.599 2.204 0.831 0.751 0.957 0.826 CB 1.623 24 residues pruned to eliminate duplicates Z: 22 38.447 2.207 1.110 0.811 0.905 0.667 CB 1.519 22 residues pruned to eliminate duplicates Z: 22 36.163 2.233 0.864 0.860 0.952 0.810 CB 1.463 22 residues pruned to eliminate duplicates Z: 46 32.792 2.150 0.624 0.655 0.889 0.622 CB 1.364 46 residues pruned to eliminate duplicates Z: 31 34.682 2.194 0.694 0.614 0.933 0.700 CB 1.639 31 residues pruned to eliminate duplicates Z: 31 34.933 2.174 0.597 0.626 1.000 0.667 CA 1.632 31 residues pruned to eliminate duplicates Z: 30 35.958 2.173 0.787 0.673 0.931 0.690 CB 1.575 30 residues pruned to eliminate duplicates Z: 43 37.257 2.078 0.761 0.632 0.929 0.714 CB 1.494 43 residues pruned to eliminate duplicates Z: 20 42.067 2.280 1.051 0.890 0.947 0.632 CB 1.567 20 residues pruned to eliminate duplicates Z: 44 36.131 2.188 0.617 0.691 0.907 0.535 CB 1.443 44 residues pruned to eliminate duplicates Z: 16 13.791 1.980 0.329 0.727 0.933 0.667 CB 1.182 16 residues pruned to eliminate duplicates Z: 34 33.338 2.151 0.523 0.825 0.970 0.697 CB 1.378 34 residues pruned to eliminate duplicates Z: 56 37.900 2.114 0.638 0.662 0.909 0.600 CB 1.397 56 residues pruned to eliminate duplicates Z: 44 36.230 2.163 0.552 0.675 0.953 0.581 CB 1.469 44 residues pruned to eliminate duplicates Z: 15 14.485 2.083 0.459 0.748 0.857 0.571 CB 1.190 15 residues pruned to eliminate duplicates Z: 53 39.120 2.163 0.671 0.686 0.942 0.654 CB 1.343 53 residues pruned to eliminate duplicates Z: 49 34.936 2.082 0.678 0.652 0.917 0.688 CB 1.367 49 residues pruned to eliminate duplicates Z: 39 37.803 2.143 0.670 0.740 1.000 0.684 CB 1.382 39 residues pruned to eliminate duplicates Z: 54 40.979 2.149 0.704 0.684 0.943 0.679 CB 1.376 54 residues pruned to eliminate duplicates Z: 42 29.364 2.074 0.695 0.596 0.854 0.561 CB 1.395 42 residues pruned to eliminate duplicates Z: 53 42.184 2.176 0.643 0.697 0.981 0.692 CB 1.393 53 residues pruned to eliminate duplicates Z: 44 35.738 2.121 0.614 0.709 0.953 0.605 CB 1.381 44 residues pruned to eliminate duplicates Z: 34 27.700 2.065 0.729 0.621 0.879 0.424 CB 1.371 34 residues pruned to eliminate duplicates Z: 72 45.257 2.161 0.647 0.669 0.944 0.676 CB 1.368 72 residues pruned to eliminate duplicates Z: 24 17.685 2.074 0.404 0.589 0.913 0.696 CB 1.274 24 residues pruned to eliminate duplicates Z: 29 20.516 2.032 0.631 0.591 0.929 0.571 CB 1.155 29 residues pruned to eliminate duplicates Z: 47 34.947 2.124 0.574 0.712 0.935 0.717 CB 1.360 47 residues pruned to eliminate duplicates Z: 13 8.822 2.056 0.520 0.304 0.833 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 13 8.361 1.834 0.722 0.293 0.833 0.583 CB 1.157 13 residues pruned to eliminate duplicates Z: 72 41.157 2.162 0.574 0.657 0.915 0.690 CB 1.356 72 residues pruned to eliminate duplicates Z: 119 51.867 2.139 0.626 0.597 0.915 0.636 CB 1.368 119 residues pruned to eliminate duplicates Z: 89 44.880 2.158 0.622 0.590 0.886 0.625 CB 1.415 89 residues pruned to eliminate duplicates Z: 13 9.269 2.021 0.401 0.348 0.917 0.583 CB 1.215 13 residues pruned to eliminate duplicates Z: 10 8.100 1.999 0.239 0.358 0.889 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 140 63.136 2.185 0.761 0.576 0.878 0.619 CB 1.474 140 residues pruned to eliminate duplicates Z: 6 11.183 1.834 1.205 0.424 1.000 0.800 CB 1.339 6 residues pruned to eliminate duplicates Z: 24 31.638 2.216 0.860 0.685 0.957 0.696 CB 1.412 24 residues pruned to eliminate duplicates Z: 36 30.865 2.133 0.638 0.603 0.943 0.686 CB 1.436 36 residues pruned to eliminate duplicates Z: 89 46.901 2.161 0.589 0.622 0.943 0.727 CB 1.376 89 residues pruned to eliminate duplicates Z: 25 28.883 2.175 0.890 0.630 0.917 0.583 CB 1.386 25 residues pruned to eliminate duplicates Z: 59 42.901 2.185 0.710 0.641 0.914 0.690 CB 1.446 59 residues pruned to eliminate duplicates Z: 32 20.932 1.967 0.661 0.572 0.839 0.548 CB 1.279 32 residues pruned to eliminate duplicates Z: 25 24.246 2.174 0.685 0.645 0.917 0.667 CB 1.287 25 residues pruned to eliminate duplicates Z: 108 52.003 2.133 0.623 0.631 0.907 0.692 CB 1.417 108 residues pruned to eliminate duplicates Z: 82 39.724 2.134 0.533 0.601 0.914 0.654 CB 1.342 82 residues pruned to eliminate duplicates Z: 25 29.168 2.166 0.744 0.648 0.958 0.750 CB 1.432 25 residues pruned to eliminate duplicates Z: 104 47.627 2.163 0.732 0.538 0.874 0.612 CB 1.380 104 residues pruned to eliminate duplicates Z: 31 26.314 2.036 0.837 0.600 0.900 0.500 CB 1.297 31 residues pruned to eliminate duplicates Z: 122 57.772 2.143 0.725 0.625 0.917 0.711 CB 1.376 122 residues pruned to eliminate duplicates Z: 25 25.046 2.174 0.668 0.665 0.917 0.625 CB 1.321 25 residues pruned to eliminate duplicates Z: 62 39.197 2.128 0.710 0.596 0.902 0.607 CB 1.396 62 residues pruned to eliminate duplicates Z: 26 29.130 2.149 0.776 0.659 0.920 0.560 CB 1.431 26 residues pruned to eliminate duplicates Z: 87 44.127 2.134 0.674 0.614 0.884 0.651 CB 1.353 87 residues pruned to eliminate duplicates Z: 35 26.362 2.125 0.638 0.538 0.941 0.765 CB 1.330 35 residues pruned to eliminate duplicates Z: 82 40.020 2.117 0.603 0.580 0.889 0.568 CB 1.366 82 residues pruned to eliminate duplicates Z: 38 35.040 2.147 0.735 0.656 0.919 0.784 CB 1.456 38 residues pruned to eliminate duplicates Z: 38 32.341 2.154 0.766 0.616 0.865 0.784 CB 1.448 38 residues pruned to eliminate duplicates Z: 39 31.400 2.120 0.729 0.604 0.868 0.737 CB 1.449 39 residues pruned to eliminate duplicates Z: 49 41.463 2.171 0.745 0.702 0.938 0.729 CB 1.402 49 residues pruned to eliminate duplicates Z: 39 32.533 2.124 0.740 0.624 0.868 0.658 CB 1.463 39 residues pruned to eliminate duplicates Z: 38 35.900 2.178 0.810 0.644 0.919 0.703 CB 1.424 38 residues pruned to eliminate duplicates Z: 143 61.636 2.164 0.661 0.561 0.915 0.563 CB 1.481 143 residues pruned to eliminate duplicates Z: 103 55.449 2.136 0.740 0.664 0.941 0.735 CB 1.348 103 residues pruned to eliminate duplicates Z: 33 19.338 2.060 0.333 0.560 0.812 0.625 CB 1.447 33 residues pruned to eliminate duplicates Z: 37 31.847 2.152 0.676 0.666 0.889 0.750 CB 1.420 37 residues pruned to eliminate duplicates Z: 58 44.039 2.154 0.863 0.633 0.930 0.667 CB 1.380 58 residues pruned to eliminate duplicates Z: 38 34.403 2.184 0.744 0.651 0.892 0.730 CB 1.446 38 residues pruned to eliminate duplicates Z: 43 37.159 2.134 0.783 0.634 0.881 0.619 CB 1.509 43 residues pruned to eliminate duplicates Z: 40 36.084 2.121 0.849 0.618 0.897 0.692 CB 1.468 40 residues pruned to eliminate duplicates Z: 39 33.391 2.141 0.777 0.642 0.868 0.711 CB 1.435 39 residues pruned to eliminate duplicates Z: 40 34.005 2.157 0.724 0.637 0.872 0.718 CB 1.478 40 residues pruned to eliminate duplicates Z: 37 35.948 2.215 0.768 0.654 0.889 0.750 CB 1.492 37 residues pruned to eliminate duplicates Z: 21 23.625 2.149 0.482 0.723 0.900 0.800 CB 1.507 21 residues pruned to eliminate duplicates Z: 56 40.245 2.146 0.783 0.623 0.891 0.600 CB 1.418 56 residues pruned to eliminate duplicates Z: 38 29.700 2.077 0.776 0.614 0.919 0.622 CB 1.293 38 residues pruned to eliminate duplicates Z: 37 32.518 2.179 0.652 0.640 0.917 0.639 CB 1.442 37 residues pruned to eliminate duplicates Z: 23 28.193 2.108 0.775 0.743 0.909 0.773 CB 1.422 23 residues pruned to eliminate duplicates Z: 22 30.296 2.118 0.795 0.780 0.905 0.762 CA 1.502 22 residues pruned to eliminate duplicates Z: 21 29.772 2.189 0.781 0.765 0.950 0.800 CB 1.421 21 residues pruned to eliminate duplicates Z: 30 23.174 1.999 0.669 0.570 0.897 0.621 CB 1.345 30 residues pruned to eliminate duplicates Z: 24 31.720 2.074 0.863 0.767 0.957 0.739 CB 1.413 24 residues pruned to eliminate duplicates Z: 24 27.014 2.068 0.923 0.677 0.913 0.739 CB 1.318 24 residues pruned to eliminate duplicates Z: 58 43.570 2.170 0.951 0.659 0.877 0.719 CB 1.341 58 residues pruned to eliminate duplicates Z: 27 23.868 1.942 0.938 0.628 0.885 0.615 CB 1.247 27 residues pruned to eliminate duplicates Z: 21 31.607 2.158 0.977 0.771 0.950 0.550 CB 1.372 21 residues pruned to eliminate duplicates Z: 23 33.410 2.139 1.114 0.710 0.955 0.409 CB 1.364 23 residues pruned to eliminate duplicates Z: 24 24.822 2.065 0.958 0.678 0.826 0.609 CB 1.316 24 residues pruned to eliminate duplicates Z: 66 35.750 2.064 0.833 0.542 0.846 0.631 CB 1.329 66 residues pruned to eliminate duplicates Z: 24 28.374 2.093 0.932 0.658 0.913 0.522 CB 1.385 24 residues pruned to eliminate duplicates Z: 70 46.665 2.163 0.928 0.593 0.899 0.652 CB 1.371 70 residues pruned to eliminate duplicates Z: 26 22.845 1.960 0.981 0.624 0.880 0.480 CB 1.190 26 residues pruned to eliminate duplicates Z: 27 22.006 1.925 0.855 0.517 0.846 0.500 CB 1.405 27 residues pruned to eliminate duplicates Z: 34 29.932 2.281 0.599 0.510 0.909 0.515 CB 1.556 34 residues pruned to eliminate duplicates Z: 50 41.824 2.174 0.743 0.610 0.939 0.490 CB 1.513 50 residues pruned to eliminate duplicates Z: 61 44.382 2.222 0.773 0.645 0.867 0.533 CB 1.466 61 residues pruned to eliminate duplicates Z: 53 40.805 2.184 0.778 0.612 0.885 0.500 CB 1.482 53 residues pruned to eliminate duplicates Z: 52 41.920 2.227 0.829 0.561 0.882 0.608 CB 1.540 52 residues pruned to eliminate duplicates Z: 20 28.738 2.374 0.608 0.537 0.947 0.579 CB 1.759 20 residues pruned to eliminate duplicates Z: 20 25.782 2.285 0.787 0.511 0.789 0.684 CB 1.815 20 residues pruned to eliminate duplicates Z: 27 40.099 2.470 0.735 0.550 1.000 0.577 CB 1.748 27 residues pruned to eliminate duplicates Z: 31 31.067 2.313 0.704 0.513 0.867 0.667 CB 1.640 31 residues pruned to eliminate duplicates Z: 27 31.178 2.415 0.700 0.433 0.885 0.654 CB 1.804 27 residues pruned to eliminate duplicates Z: 28 38.332 2.425 0.900 0.520 0.889 0.630 CB 1.767 28 residues pruned to eliminate duplicates Z: 36 34.234 2.273 0.821 0.504 0.886 0.686 CB 1.572 36 residues pruned to eliminate duplicates Z: 28 38.058 2.432 0.831 0.507 0.926 0.704 CB 1.764 28 residues pruned to eliminate duplicates Z: 52 43.775 2.213 0.967 0.596 0.863 0.569 CB 1.489 52 residues pruned to eliminate duplicates Z: 68 53.021 2.230 0.921 0.594 0.910 0.612 CB 1.519 68 residues pruned to eliminate duplicates Z: 29 38.529 2.402 0.856 0.529 0.893 0.607 CB 1.778 29 residues pruned to eliminate duplicates Z: 35 36.374 2.235 0.767 0.472 0.941 0.618 CB 1.727 35 residues pruned to eliminate duplicates Z: 29 46.097 2.421 0.894 0.551 1.000 0.714 CB 1.807 29 residues pruned to eliminate duplicates Z: 29 34.345 2.373 0.797 0.512 0.857 0.643 CB 1.754 29 residues pruned to eliminate duplicates Z: 49 47.955 2.240 0.849 0.592 0.979 0.583 CB 1.563 49 residues pruned to eliminate duplicates Z: 27 37.487 2.462 0.678 0.533 1.000 0.615 CB 1.724 27 residues pruned to eliminate duplicates Z: 30 36.323 2.374 0.761 0.496 0.931 0.724 CB 1.740 30 residues pruned to eliminate duplicates Z: 29 37.779 2.363 0.756 0.545 0.964 0.750 CA 1.707 29 residues pruned to eliminate duplicates Z: 30 33.450 2.277 0.686 0.495 1.000 0.517 CB 1.627 30 residues pruned to eliminate duplicates Z: 13 10.819 2.193 0.413 0.267 0.750 0.500 CB 1.753 13 residues pruned to eliminate duplicates Z: 7 5.944 1.961 0.220 0.334 0.833 0.667 CA 1.459 7 residues pruned to eliminate duplicates Z: 62 46.481 2.332 0.625 0.552 0.885 0.656 CB 1.686 62 residues pruned to eliminate duplicates Z: 67 61.082 2.362 0.807 0.598 0.939 0.758 CB 1.708 68 residues pruned to eliminate duplicates Z: 6 3.749 1.601 0.319 0.395 1.000 0.600 CA 0.887 6 residues pruned to eliminate duplicates Z: 37 29.870 2.189 0.608 0.547 0.861 0.694 CB 1.568 36 residues pruned to eliminate duplicates Z: 17 34.771 2.285 0.926 0.751 0.938 0.750 CB 1.683 17 residues pruned to eliminate duplicates Z: 30 41.679 2.369 0.783 0.644 0.897 0.690 CB 1.787 30 residues pruned to eliminate duplicates Z: 30 42.315 2.369 0.760 0.630 0.966 0.759 CB 1.727 30 residues pruned to eliminate duplicates Z: 14 47.690 2.496 1.216 0.912 0.923 0.846 CB 1.835 14 residues pruned to eliminate duplicates Z: 25 49.256 2.444 0.986 0.679 1.000 0.833 CB 1.757 25 residues pruned to eliminate duplicates Z: 25 47.984 2.437 0.909 0.682 1.000 0.708 CB 1.782 25 residues pruned to eliminate duplicates Z: 25 47.180 2.456 0.868 0.663 1.000 0.792 CB 1.804 25 residues pruned to eliminate duplicates Z: 25 47.634 2.452 0.801 0.710 1.000 0.750 CB 1.820 25 residues pruned to eliminate duplicates Z: 28 26.831 2.173 0.844 0.521 0.815 0.630 CB 1.550 28 residues pruned to eliminate duplicates Z: 30 40.061 2.288 0.685 0.648 0.966 0.655 CB 1.741 30 residues pruned to eliminate duplicates Z: 25 48.079 2.438 0.919 0.701 0.958 0.750 CB 1.822 25 residues pruned to eliminate duplicates Z: 25 49.023 2.451 0.944 0.682 1.000 0.750 CB 1.777 25 residues pruned to eliminate duplicates Z: 25 50.508 2.468 0.950 0.663 1.000 0.708 CB 1.842 25 residues pruned to eliminate duplicates Z: 31 40.307 2.340 0.759 0.590 0.933 0.567 CB 1.757 31 residues pruned to eliminate duplicates Z: 25 46.595 2.449 0.827 0.681 1.000 0.708 CB 1.801 25 residues pruned to eliminate duplicates Z: 47 37.350 2.251 0.653 0.523 0.870 0.609 CB 1.665 47 residues pruned to eliminate duplicates Z: 37 33.586 2.250 0.550 0.602 0.917 0.694 CB 1.589 37 residues pruned to eliminate duplicates Z: 37 35.190 2.290 0.597 0.574 0.889 0.722 CB 1.679 37 residues pruned to eliminate duplicates Z: 29 40.982 2.394 0.632 0.641 0.964 0.750 CB 1.802 29 residues pruned to eliminate duplicates Z: 25 45.586 2.439 0.782 0.682 1.000 0.792 CB 1.810 25 residues pruned to eliminate duplicates Z: 30 36.848 2.354 0.799 0.604 0.862 0.621 CB 1.697 30 residues pruned to eliminate duplicates Z: 25 50.166 2.463 0.981 0.684 0.958 0.792 CB 1.850 25 residues pruned to eliminate duplicates Z: 31 40.545 2.316 0.809 0.612 0.900 0.733 CB 1.766 31 residues pruned to eliminate duplicates Z: 25 49.106 2.449 0.926 0.660 1.000 0.708 CB 1.832 25 residues pruned to eliminate duplicates Z: 40 34.441 2.234 0.652 0.524 0.872 0.538 CA 1.673 40 residues pruned to eliminate duplicates Z: 25 39.761 2.433 0.656 0.665 0.958 0.792 CB 1.803 25 residues pruned to eliminate duplicates Z: 18 16.786 2.259 0.539 0.496 0.882 0.588 CB 1.332 6 residues pruned to eliminate duplicates Z: 8 7.785 1.823 0.527 0.337 1.000 0.571 CB 1.263 10 residues pruned to eliminate duplicates Z: 6 4.610 1.556 1.140 0.408 1.000 0.400 CA 0.682 6 residues pruned to eliminate duplicates Z: 20 19.536 2.215 0.600 0.485 0.842 0.526 CB 1.525 20 residues pruned to eliminate duplicates Z: 19 19.102 2.280 0.432 0.550 0.944 0.500 CB 1.392 38 residues pruned to eliminate duplicates Z: 21 15.651 2.117 0.576 0.410 0.900 0.450 CB 1.280 21 residues pruned to eliminate duplicates Z: 47 38.851 2.290 0.622 0.532 0.978 0.609 CB 1.527 47 residues pruned to eliminate duplicates Z: 20 19.041 2.157 0.513 0.526 0.947 0.526 CB 1.376 Z: 7 5.520 1.418 0.556 0.523 0.833 0.667 CB 1.198 8 residues pruned to eliminate duplicates Z: 6 3.324 1.239 0.411 0.453 1.000 0.600 N 0.893 5 residues pruned to eliminate duplicates Z: 15 12.217 1.800 0.120 0.923 1.000 0.929 CB 1.138 15 residues pruned to eliminate duplicates Z: 16 13.984 1.763 0.309 0.865 1.000 0.933 CB 1.146 16 residues pruned to eliminate duplicates Z: 15 15.412 1.832 0.346 0.927 1.000 0.929 CB 1.171 15 residues pruned to eliminate duplicates Z: 15 13.389 1.799 0.208 0.932 1.000 1.000 CB 1.150 15 residues pruned to eliminate duplicates Z: 15 15.043 1.824 0.348 0.940 1.000 0.929 CB 1.136 15 residues pruned to eliminate duplicates Z: 15 15.584 1.828 0.379 0.944 1.000 0.929 CB 1.144 15 residues pruned to eliminate duplicates Z: 15 15.928 1.819 0.464 0.947 1.000 1.000 CB 1.105 15 residues pruned to eliminate duplicates Z: 15 16.284 1.811 0.575 0.873 1.000 0.929 CB 1.111 15 residues pruned to eliminate duplicates Z: 16 16.572 1.760 0.565 0.931 1.000 0.800 CB 1.085 16 residues pruned to eliminate duplicates Z: 16 17.104 1.753 0.686 0.873 1.000 0.600 CB 1.088 16 residues pruned to eliminate duplicates Z: 16 16.308 1.735 0.649 0.871 1.000 0.667 CB 1.073 16 residues pruned to eliminate duplicates Z: 15 16.014 1.793 0.606 0.875 0.929 0.643 CB 1.165 15 residues pruned to eliminate duplicates Z: 25 30.981 2.398 0.623 0.436 0.917 0.417 CA 1.893 25 residues pruned to eliminate duplicates Z: 8 11.064 2.025 0.410 0.546 0.857 0.714 CA 1.632 8 residues pruned to eliminate duplicates Z: 8 14.554 2.165 0.541 0.688 0.857 0.714 CB 1.620 8 residues pruned to eliminate duplicates Z: 10 13.990 1.921 0.623 0.638 1.000 0.556 CA 1.315 10 residues pruned to eliminate duplicates Z: 24 38.406 2.458 0.828 0.469 0.957 0.435 CA 1.924 24 residues pruned to eliminate duplicates Z: 25 38.769 2.418 0.813 0.497 0.958 0.500 CB 1.891 25 residues pruned to eliminate duplicates Z: 23 27.963 2.278 0.766 0.491 0.864 0.545 CB 1.731 23 residues pruned to eliminate duplicates Z: 18 34.006 2.353 1.049 0.478 0.941 0.588 CB 1.858 19 residues pruned to eliminate duplicates Z: 8 6.691 1.986 0.244 0.448 0.714 0.571 CA 1.512 8 residues pruned to eliminate duplicates Z: 20 35.189 2.403 0.958 0.468 0.947 0.579 CB 1.871 20 residues pruned to eliminate duplicates Z: 21 29.357 2.417 0.882 0.391 0.900 0.400 CB 1.801 21 residues pruned to eliminate duplicates Z: 18 29.882 2.360 0.866 0.453 0.941 0.471 CB 1.834 18 residues pruned to eliminate duplicates Z: 43 35.341 2.233 0.941 0.457 0.881 0.548 CB 1.492 42 residues pruned to eliminate duplicates Z: 6 10.183 1.985 1.207 0.435 1.000 0.600 CA 1.112 6 residues pruned to eliminate duplicates Z: 62 43.290 2.266 0.788 0.484 0.902 0.459 CB 1.543 62 residues pruned to eliminate duplicates Z: 29 39.271 2.413 1.043 0.466 0.893 0.607 CB 1.745 30 residues pruned to eliminate duplicates Z: 6 10.304 2.329 0.657 0.524 0.800 0.200 CB 1.457 6 residues pruned to eliminate duplicates Z: 30 36.247 2.441 0.841 0.455 0.897 0.448 CB 1.750 30 residues pruned to eliminate duplicates Z: 24 19.600 2.176 0.627 0.333 0.826 0.304 CB 1.678 24 residues pruned to eliminate duplicates Z: 6 10.053 2.193 0.989 0.391 0.800 0.600 CA 1.446 6 residues pruned to eliminate duplicates Z: 7 13.542 2.137 1.145 0.535 1.000 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 99 53.641 2.233 0.813 0.541 0.857 0.541 CB 1.500 99 residues pruned to eliminate duplicates Z: 77 55.425 2.274 0.879 0.546 0.934 0.513 CB 1.523 77 residues pruned to eliminate duplicates Z: 76 58.742 2.285 0.926 0.557 0.960 0.573 CB 1.518 76 residues pruned to eliminate duplicates Z: 100 58.294 2.248 0.813 0.547 0.899 0.606 CB 1.528 100 residues pruned to eliminate duplicates Z: 71 51.487 2.276 0.846 0.566 0.900 0.514 CB 1.528 71 residues pruned to eliminate duplicates Z: 90 53.756 2.229 0.782 0.547 0.910 0.539 CB 1.506 90 residues pruned to eliminate duplicates Z: 74 57.023 2.299 0.895 0.557 0.945 0.603 CB 1.534 74 residues pruned to eliminate duplicates Z: 94 57.479 2.226 0.842 0.536 0.914 0.591 CB 1.535 94 residues pruned to eliminate duplicates Z: 73 51.439 2.309 0.848 0.543 0.875 0.556 CB 1.557 73 residues pruned to eliminate duplicates Z: 105 59.845 2.254 0.851 0.539 0.885 0.587 CB 1.530 105 residues pruned to eliminate duplicates Z: 73 53.895 2.293 0.839 0.563 0.903 0.569 CB 1.570 73 residues pruned to eliminate duplicates Z: 72 61.798 2.319 0.975 0.574 0.944 0.577 CB 1.579 72 residues pruned to eliminate duplicates Z: 68 56.934 2.309 0.900 0.588 0.940 0.552 CB 1.549 68 residues pruned to eliminate duplicates Z: 82 54.757 2.248 0.798 0.557 0.938 0.556 CB 1.518 82 residues pruned to eliminate duplicates Z: 109 59.476 2.219 0.870 0.542 0.889 0.593 CB 1.489 109 residues pruned to eliminate duplicates Z: 75 57.309 2.289 0.944 0.555 0.905 0.622 CB 1.568 75 residues pruned to eliminate duplicates Z: 67 48.682 2.280 0.761 0.554 0.909 0.500 CB 1.557 67 residues pruned to eliminate duplicates Z: 92 60.270 2.256 0.848 0.561 0.923 0.560 CB 1.547 92 residues pruned to eliminate duplicates Z: 74 60.163 2.283 0.988 0.578 0.932 0.616 CB 1.546 74 residues pruned to eliminate duplicates Z: 81 57.990 2.259 0.864 0.563 0.950 0.663 CB 1.525 81 residues pruned to eliminate duplicates Z: 73 56.517 2.300 0.913 0.564 0.917 0.611 CB 1.553 73 residues pruned to eliminate duplicates Z: 98 58.878 2.231 0.873 0.543 0.928 0.546 CB 1.478 98 residues pruned to eliminate duplicates Z: 83 56.637 2.271 0.909 0.537 0.939 0.537 CB 1.482 83 residues pruned to eliminate duplicates Z: 93 61.305 2.240 0.873 0.572 0.935 0.576 CB 1.521 93 residues pruned to eliminate duplicates Z: 51 42.668 2.265 1.049 0.540 0.840 0.580 CB 1.487 51 residues pruned to eliminate duplicates Z: 43 45.687 2.299 1.082 0.519 0.905 0.571 CB 1.596 43 residues pruned to eliminate duplicates Z: 100 58.845 2.218 0.866 0.535 0.919 0.606 CB 1.502 100 residues pruned to eliminate duplicates Z: 74 64.449 2.306 1.011 0.581 0.973 0.658 CB 1.547 74 residues pruned to eliminate duplicates Z: 87 60.192 2.271 0.878 0.577 0.953 0.570 CB 1.481 87 residues pruned to eliminate duplicates Z: 52 50.913 2.313 1.016 0.577 0.902 0.588 CB 1.574 52 residues pruned to eliminate duplicates Z: 89 58.041 2.230 0.856 0.548 0.932 0.545 CB 1.532 89 residues pruned to eliminate duplicates Z: 77 51.506 2.273 0.816 0.557 0.908 0.539 CB 1.492 77 residues pruned to eliminate duplicates Z: 73 57.625 2.296 0.857 0.582 0.944 0.625 CB 1.559 73 residues pruned to eliminate duplicates Z: 74 60.984 2.298 0.937 0.591 0.959 0.616 CB 1.533 74 residues pruned to eliminate duplicates Z: 100 61.158 2.200 0.917 0.547 0.939 0.606 CB 1.482 100 residues pruned to eliminate duplicates Z: 73 60.115 2.304 0.921 0.590 0.958 0.597 CB 1.533 73 residues pruned to eliminate duplicates Z: 72 54.768 2.302 0.828 0.578 0.901 0.577 CB 1.590 72 residues pruned to eliminate duplicates Z: 69 50.242 2.273 0.791 0.553 0.941 0.485 CB 1.511 69 residues pruned to eliminate duplicates Z: 60 43.581 2.200 0.799 0.574 0.915 0.627 CB 1.459 60 residues pruned to eliminate duplicates Z: 35 37.673 2.258 0.810 0.597 0.971 0.706 CB 1.484 35 residues pruned to eliminate duplicates Z: 36 32.582 2.203 0.693 0.599 0.943 0.714 CB 1.425 36 residues pruned to eliminate duplicates Z: 68 59.783 2.305 0.903 0.569 1.000 0.642 CB 1.557 68 residues pruned to eliminate duplicates Z: 90 59.029 2.248 0.870 0.561 0.933 0.618 CB 1.504 90 residues pruned to eliminate duplicates Z: 81 58.077 2.254 0.843 0.551 0.950 0.613 CB 1.565 81 residues pruned to eliminate duplicates Z: 68 59.631 2.322 0.861 0.583 0.985 0.597 CB 1.581 68 residues pruned to eliminate duplicates Z: 90 52.834 2.201 0.795 0.554 0.899 0.573 CB 1.495 90 residues pruned to eliminate duplicates Z: 62 41.230 2.187 0.749 0.535 0.869 0.639 CB 1.535 62 residues pruned to eliminate duplicates Z: 34 38.688 2.295 0.804 0.641 0.939 0.606 CB 1.517 34 residues pruned to eliminate duplicates Z: 61 42.298 2.167 0.840 0.590 0.883 0.583 CB 1.422 61 residues pruned to eliminate duplicates Z: 91 57.379 2.227 0.804 0.563 0.944 0.578 CB 1.501 91 residues pruned to eliminate duplicates Z: 90 55.306 2.179 0.887 0.556 0.921 0.596 CB 1.466 90 residues pruned to eliminate duplicates Z: 33 42.702 2.297 0.839 0.662 1.000 0.688 CB 1.537 33 residues pruned to eliminate duplicates Z: 51 33.135 2.163 0.665 0.545 0.900 0.540 CB 1.383 51 residues pruned to eliminate duplicates Z: 59 43.679 2.198 0.814 0.588 0.914 0.690 CB 1.447 59 residues pruned to eliminate duplicates Z: 74 59.504 2.307 0.979 0.573 0.932 0.589 CB 1.527 74 residues pruned to eliminate duplicates Z: 75 56.101 2.258 0.916 0.578 0.946 0.581 CB 1.478 75 residues pruned to eliminate duplicates Z: 101 55.571 2.200 0.825 0.530 0.910 0.550 CB 1.476 101 residues pruned to eliminate duplicates Z: 62 45.621 2.197 0.905 0.574 0.934 0.656 CB 1.391 62 residues pruned to eliminate duplicates Z: 78 54.207 2.227 0.884 0.560 0.935 0.584 CB 1.486 78 residues pruned to eliminate duplicates Z: 74 60.399 2.289 0.937 0.566 0.959 0.534 CB 1.559 74 residues pruned to eliminate duplicates Z: 94 59.725 2.218 0.853 0.547 0.946 0.559 CB 1.520 94 residues pruned to eliminate duplicates Z: 72 55.995 2.260 0.884 0.569 0.930 0.535 CB 1.570 72 residues pruned to eliminate duplicates Z: 99 65.058 2.241 0.972 0.571 0.918 0.571 CB 1.511 99 residues pruned to eliminate duplicates Z: 34 38.193 2.239 0.980 0.637 0.909 0.636 CB 1.451 34 residues pruned to eliminate duplicates Z: 75 58.081 2.277 0.971 0.547 0.932 0.568 CB 1.541 75 residues pruned to eliminate duplicates Z: 48 39.080 2.156 0.924 0.561 0.894 0.723 CB 1.450 48 residues pruned to eliminate duplicates Z: 13 24.414 2.180 0.700 0.827 1.000 0.750 CB 1.433 13 residues pruned to eliminate duplicates Z: 36 43.039 2.263 0.988 0.632 0.971 0.543 CB 1.471 36 residues pruned to eliminate duplicates Z: 75 58.591 2.265 0.956 0.571 0.946 0.514 CB 1.517 75 residues pruned to eliminate duplicates Z: 84 57.406 2.246 0.938 0.567 0.916 0.506 CB 1.481 84 residues pruned to eliminate duplicates Z: 15 12.774 1.943 0.598 0.428 0.857 0.429 CB 1.383 15 residues pruned to eliminate duplicates Z: 25 26.615 2.130 0.902 0.554 0.833 0.667 CB 1.526 25 residues pruned to eliminate duplicates Z: 15 17.757 1.926 0.610 0.587 0.929 0.643 CB 1.515 15 residues pruned to eliminate duplicates Z: 28 20.987 2.034 0.645 0.497 0.889 0.630 CB 1.363 28 residues pruned to eliminate duplicates Z: 14 14.736 1.994 0.647 0.524 0.846 0.692 CB 1.436 14 residues pruned to eliminate duplicates Z: 15 14.129 1.918 0.701 0.453 0.857 0.500 CB 1.416 15 residues pruned to eliminate duplicates Z: 6 5.942 1.671 0.850 0.313 0.800 0.400 CA 1.322 6 residues pruned to eliminate duplicates Z: 31 22.949 2.011 0.824 0.465 0.800 0.633 CB 1.480 31 residues pruned to eliminate duplicates Z: 28 25.835 2.047 0.838 0.476 0.926 0.667 CB 1.462 28 residues pruned to eliminate duplicates Z: 62 45.724 2.196 0.904 0.570 0.918 0.574 CB 1.425 62 residues pruned to eliminate duplicates Z: 28 26.399 2.067 0.801 0.506 0.926 0.667 CB 1.465 28 residues pruned to eliminate duplicates Z: 29 25.295 1.993 0.836 0.499 0.929 0.643 CB 1.408 29 residues pruned to eliminate duplicates Z: 10 5.434 1.881 0.705 0.464 0.778 0.667 CB 0.754 10 residues pruned to eliminate duplicates Z: 10 9.148 2.149 0.588 0.829 1.000 0.778 CB 0.672 10 residues pruned to eliminate duplicates Z: 9 10.325 2.133 0.730 0.801 1.000 0.875 CB 0.760 9 residues pruned to eliminate duplicates Z: 12 7.078 2.065 0.722 0.649 0.909 0.545 CB 0.575 12 residues pruned to eliminate duplicates Z: 12 6.338 1.805 0.732 0.353 0.727 0.545 CB 0.985 12 residues pruned to eliminate duplicates Z: 11 5.547 1.870 0.808 0.347 0.900 0.600 CB 0.680 11 residues pruned to eliminate duplicates Z: 10 6.093 2.008 0.939 0.664 0.889 0.667 CB 0.504 10 residues pruned to eliminate duplicates Z: 34 39.684 2.312 0.834 0.600 0.909 0.667 CB 1.630 34 residues pruned to eliminate duplicates Z: 9 10.190 2.143 0.559 0.234 0.875 0.375 N 1.679 9 residues pruned to eliminate duplicates Z: 32 41.994 2.377 0.911 0.567 0.903 0.548 CB 1.723 32 residues pruned to eliminate duplicates Z: 33 43.668 2.373 0.979 0.590 0.938 0.719 CB 1.609 33 residues pruned to eliminate duplicates Z: 66 46.382 2.298 0.728 0.615 0.908 0.677 CB 1.431 66 residues pruned to eliminate duplicates Z: 41 37.999 2.292 0.775 0.603 0.875 0.650 CB 1.531 41 residues pruned to eliminate duplicates Z: 34 33.978 2.231 0.735 0.583 0.879 0.545 CB 1.606 34 residues pruned to eliminate duplicates Z: 34 36.674 2.333 0.780 0.575 0.939 0.545 CB 1.523 34 residues pruned to eliminate duplicates Z: 31 37.494 2.326 0.678 0.593 0.933 0.533 CB 1.719 31 residues pruned to eliminate duplicates Z: 43 40.376 2.243 0.804 0.584 0.952 0.762 CB 1.492 49 residues pruned to eliminate duplicates Z: 25 46.423 2.356 0.958 0.784 0.958 0.583 CB 1.669 25 residues pruned to eliminate duplicates Z: 24 48.539 2.434 0.891 0.722 0.957 0.739 CB 1.880 24 residues pruned to eliminate duplicates Z: 41 43.314 2.276 0.703 0.557 0.975 0.600 CB 1.714 178 residues pruned to eliminate duplicates Z: 26 43.091 2.429 0.717 0.797 0.920 0.680 CB 1.731 26 residues pruned to eliminate duplicates Z: 24 51.132 2.334 1.053 0.758 1.000 0.826 CB 1.769 24 residues pruned to eliminate duplicates Z: 33 42.205 2.294 0.796 0.556 0.969 0.562 CB 1.770 33 residues pruned to eliminate duplicates Z: 32 36.665 2.294 0.778 0.537 0.903 0.613 CB 1.724 32 residues pruned to eliminate duplicates Z: 30 45.177 2.392 0.887 0.624 0.931 0.690 CB 1.776 30 residues pruned to eliminate duplicates Z: 31 39.789 2.375 0.767 0.598 0.900 0.767 CB 1.751 31 residues pruned to eliminate duplicates Z: 24 51.533 2.448 0.936 0.732 1.000 0.870 CB 1.841 24 residues pruned to eliminate duplicates Z: 32 40.653 2.321 0.714 0.576 0.968 0.613 CB 1.763 32 residues pruned to eliminate duplicates Z: 33 37.294 2.305 0.722 0.562 0.938 0.562 CB 1.668 33 residues pruned to eliminate duplicates Z: 31 36.039 2.326 0.886 0.566 0.900 0.600 CB 1.563 31 residues pruned to eliminate duplicates Z: 49 41.068 2.280 0.693 0.522 0.938 0.667 CB 1.603 49 residues pruned to eliminate duplicates Z: 34 38.427 2.274 0.849 0.572 0.939 0.606 CB 1.580 34 residues pruned to eliminate duplicates Z: 23 50.243 2.481 0.870 0.777 1.000 0.818 CB 1.809 23 residues pruned to eliminate duplicates Z: 31 39.819 2.350 0.776 0.608 0.933 0.633 CB 1.685 31 residues pruned to eliminate duplicates Z: 32 42.738 2.261 0.890 0.578 0.968 0.613 CB 1.721 32 residues pruned to eliminate duplicates Z: 57 49.331 2.330 0.685 0.606 0.964 0.661 CB 1.574 57 residues pruned to eliminate duplicates Z: 79 53.949 2.326 0.565 0.634 0.949 0.615 CB 1.560 79 residues pruned to eliminate duplicates Z: 98 51.577 2.279 0.617 0.552 0.907 0.598 CB 1.489 98 residues pruned to eliminate duplicates Z: 84 58.012 2.304 0.736 0.612 0.940 0.614 CB 1.524 84 residues pruned to eliminate duplicates Z: 56 49.759 2.345 0.580 0.636 1.000 0.691 CB 1.594 56 residues pruned to eliminate duplicates Z: 80 57.673 2.316 0.718 0.614 0.949 0.671 CB 1.541 80 residues pruned to eliminate duplicates Z: 49 55.671 2.400 0.765 0.690 0.979 0.729 CB 1.628 49 residues pruned to eliminate duplicates Z: 56 49.263 2.351 0.607 0.615 0.982 0.618 CB 1.606 56 residues pruned to eliminate duplicates Z: 73 56.061 2.330 0.670 0.663 0.944 0.667 CB 1.546 73 residues pruned to eliminate duplicates Z: 49 52.058 2.387 0.630 0.691 1.000 0.667 CB 1.621 49 residues pruned to eliminate duplicates Z: 56 50.424 2.356 0.724 0.606 0.927 0.600 CB 1.631 56 residues pruned to eliminate duplicates Z: 32 30.494 2.348 0.534 0.630 0.935 0.677 CB 1.439 32 residues pruned to eliminate duplicates Z: 30 31.055 2.313 0.606 0.631 0.966 0.552 CB 1.422 30 residues pruned to eliminate duplicates Z: 80 54.008 2.309 0.575 0.615 0.975 0.595 CB 1.538 80 residues pruned to eliminate duplicates Z: 55 42.099 2.287 0.592 0.626 0.963 0.630 CB 1.451 55 residues pruned to eliminate duplicates Z: 59 48.292 2.337 0.726 0.582 0.931 0.621 CB 1.561 59 residues pruned to eliminate duplicates Z: 39 38.492 2.268 0.732 0.639 0.921 0.658 CB 1.515 39 residues pruned to eliminate duplicates Z: 69 46.526 2.262 0.793 0.588 0.897 0.574 CB 1.425 69 residues pruned to eliminate duplicates Z: 59 49.511 2.329 0.636 0.600 0.948 0.603 CB 1.637 59 residues pruned to eliminate duplicates Z: 91 53.768 2.280 0.656 0.625 0.933 0.689 CB 1.429 91 residues pruned to eliminate duplicates Z: 66 49.991 2.317 0.676 0.610 0.969 0.631 CB 1.484 66 residues pruned to eliminate duplicates Z: 107 66.272 2.248 0.785 0.636 0.934 0.623 CB 1.512 107 residues pruned to eliminate duplicates Z: 32 33.911 2.326 0.744 0.627 0.935 0.710 CB 1.424 32 residues pruned to eliminate duplicates Z: 86 53.753 2.290 0.735 0.570 0.906 0.671 CB 1.514 86 residues pruned to eliminate duplicates Z: 72 62.054 2.347 0.735 0.678 0.958 0.676 CB 1.603 72 residues pruned to eliminate duplicates Z: 49 54.802 2.389 0.699 0.703 1.000 0.688 CB 1.620 49 residues pruned to eliminate duplicates Z: 92 58.563 2.322 0.756 0.579 0.923 0.637 CB 1.511 92 residues pruned to eliminate duplicates Z: 82 52.090 2.296 0.629 0.605 0.926 0.691 CB 1.512 82 residues pruned to eliminate duplicates Z: 78 57.406 2.322 0.719 0.628 0.948 0.688 CB 1.532 78 residues pruned to eliminate duplicates Z: 70 48.365 2.263 0.771 0.583 0.913 0.623 CB 1.469 70 residues pruned to eliminate duplicates Z: 92 58.974 2.312 0.679 0.597 0.945 0.703 CB 1.537 92 residues pruned to eliminate duplicates Z: 82 56.935 2.316 0.691 0.607 0.951 0.691 CB 1.534 82 residues pruned to eliminate duplicates Z: 24 27.106 2.231 0.575 0.663 0.913 0.783 CB 1.515 24 residues pruned to eliminate duplicates Z: 81 53.610 2.298 0.696 0.584 0.925 0.700 CB 1.534 81 residues pruned to eliminate duplicates Z: 25 25.082 2.154 0.705 0.649 0.917 0.667 CB 1.324 25 residues pruned to eliminate duplicates Z: 55 44.636 2.293 0.707 0.628 0.944 0.667 CB 1.456 55 residues pruned to eliminate duplicates Z: 52 38.657 2.156 0.822 0.552 0.843 0.608 CB 1.553 52 residues pruned to eliminate duplicates Z: 12 8.360 1.762 0.691 0.418 0.818 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 58 45.755 2.296 0.707 0.640 0.912 0.684 CB 1.488 58 residues pruned to eliminate duplicates Z: 72 42.521 2.186 0.712 0.505 0.887 0.507 CB 1.512 72 residues pruned to eliminate duplicates Z: 72 45.600 2.285 0.683 0.553 0.915 0.577 CB 1.459 72 residues pruned to eliminate duplicates Z: 70 48.404 2.243 0.702 0.556 0.957 0.580 CB 1.511 70 residues pruned to eliminate duplicates Z: 71 43.380 2.159 0.880 0.543 0.857 0.614 CB 1.429 71 residues pruned to eliminate duplicates Z: 18 18.135 2.147 0.873 0.450 0.706 0.471 CB 1.631 18 residues pruned to eliminate duplicates Z: 34 32.517 2.104 0.793 0.627 0.879 0.636 CB 1.515 34 residues pruned to eliminate duplicates Z: 16 17.404 2.160 0.755 0.456 0.800 0.600 CB 1.551 16 residues pruned to eliminate duplicates Z: 16 11.875 1.991 0.802 0.356 0.733 0.467 CB 1.362 16 residues pruned to eliminate duplicates Z: 39 36.114 2.102 0.931 0.612 0.868 0.737 CB 1.494 39 residues pruned to eliminate duplicates Z: 16 20.439 2.091 0.983 0.468 0.800 0.533 CB 1.644 16 residues pruned to eliminate duplicates Z: 37 28.656 2.068 0.786 0.515 0.861 0.528 CB 1.479 37 residues pruned to eliminate duplicates Z: 58 37.286 2.090 0.742 0.565 0.877 0.632 CB 1.451 58 residues pruned to eliminate duplicates Z: 41 32.784 2.072 0.864 0.577 0.900 0.650 CB 1.385 41 residues pruned to eliminate duplicates Z: 34 33.604 2.084 0.915 0.657 0.879 0.697 CB 1.441 34 residues pruned to eliminate duplicates Z: 42 25.065 1.966 0.680 0.541 0.829 0.537 CB 1.373 42 residues pruned to eliminate duplicates Z: 60 40.808 2.101 0.818 0.601 0.864 0.525 CB 1.462 60 residues pruned to eliminate duplicates Z: 37 19.316 1.941 0.552 0.499 0.750 0.528 CB 1.426 37 residues pruned to eliminate duplicates Z: 18 16.314 2.009 0.896 0.337 0.765 0.412 CB 1.624 18 residues pruned to eliminate duplicates Z: 38 30.103 2.148 0.911 0.468 0.784 0.541 CB 1.588 38 residues pruned to eliminate duplicates Z: 16 13.063 2.124 0.570 0.468 0.733 0.533 CB 1.425 16 residues pruned to eliminate duplicates Z: 34 35.169 2.134 0.837 0.641 0.909 0.667 CB 1.507 34 residues pruned to eliminate duplicates Z: 38 40.941 2.139 1.000 0.649 0.919 0.730 CB 1.489 38 residues pruned to eliminate duplicates Z: 38 33.582 2.066 0.956 0.605 0.892 0.676 CB 1.386 38 residues pruned to eliminate duplicates Z: 37 36.452 2.095 1.001 0.607 0.861 0.639 CB 1.521 37 residues pruned to eliminate duplicates Z: 36 37.099 2.123 0.936 0.624 0.914 0.629 CB 1.485 36 residues pruned to eliminate duplicates Z: 37 35.634 2.101 0.833 0.638 0.917 0.611 CB 1.478 37 residues pruned to eliminate duplicates Z: 39 37.860 2.062 0.993 0.665 0.921 0.711 CB 1.393 39 residues pruned to eliminate duplicates Z: 38 35.964 2.065 0.974 0.652 0.892 0.541 CB 1.411 38 residues pruned to eliminate duplicates Z: 37 34.671 2.065 1.073 0.623 0.889 0.500 CB 1.353 37 residues pruned to eliminate duplicates Z: 56 41.646 2.118 0.782 0.606 0.927 0.545 CB 1.451 56 residues pruned to eliminate duplicates Z: 21 26.012 1.968 0.887 0.755 0.900 0.650 CB 1.386 21 residues pruned to eliminate duplicates Z: 32 29.998 2.006 1.018 0.611 0.871 0.452 CB 1.375 32 residues pruned to eliminate duplicates Z: 21 28.534 1.989 0.955 0.769 0.950 0.500 CB 1.361 21 residues pruned to eliminate duplicates Z: 23 27.249 1.949 1.072 0.706 0.909 0.545 CB 1.313 23 residues pruned to eliminate duplicates Z: 40 33.828 2.034 0.999 0.606 0.846 0.513 CB 1.423 40 residues pruned to eliminate duplicates Z: 38 37.834 2.081 1.070 0.643 0.892 0.649 CB 1.417 38 residues pruned to eliminate duplicates Z: 37 35.164 2.059 1.056 0.602 0.889 0.556 CB 1.413 37 residues pruned to eliminate duplicates Z: 39 36.409 2.109 0.903 0.626 0.895 0.605 CB 1.460 39 residues pruned to eliminate duplicates Z: 26 18.435 1.860 0.907 0.491 0.800 0.160 CB 1.311 26 residues pruned to eliminate duplicates Z: 71 50.758 2.164 0.951 0.596 0.914 0.529 CB 1.435 71 residues pruned to eliminate duplicates Z: 35 36.299 2.334 0.816 0.530 0.912 0.559 CB 1.564 35 residues pruned to eliminate duplicates Z: 32 28.907 2.057 0.895 0.593 0.839 0.452 CB 1.454 32 residues pruned to eliminate duplicates Z: 67 51.301 2.199 0.970 0.576 0.894 0.606 CB 1.515 67 residues pruned to eliminate duplicates Z: 20 38.062 2.500 0.885 0.611 0.895 0.526 CA 1.864 20 residues pruned to eliminate duplicates Z: 12 13.115 2.089 0.837 0.400 0.818 0.636 CB 1.399 12 residues pruned to eliminate duplicates Z: 65 53.810 2.326 0.742 0.551 0.953 0.594 CB 1.658 66 residues pruned to eliminate duplicates Z: 6 8.562 1.878 1.156 0.316 1.000 0.600 CB 1.158 6 residues pruned to eliminate duplicates Z: 10 18.998 2.289 1.038 0.477 0.889 0.556 CA 1.563 10 residues pruned to eliminate duplicates Z: 9 18.235 2.308 1.048 0.392 0.875 0.375 CA 1.748 9 residues pruned to eliminate duplicates Z: 34 35.811 2.238 0.808 0.514 0.909 0.576 CB 1.672 34 residues pruned to eliminate duplicates Z: 30 30.683 2.341 0.675 0.504 0.931 0.586 CB 1.555 30 residues pruned to eliminate duplicates Z: 32 32.855 2.309 0.757 0.483 0.903 0.484 CB 1.638 32 residues pruned to eliminate duplicates Z: 21 31.434 2.405 0.757 0.547 0.900 0.650 CB 1.765 21 residues pruned to eliminate duplicates Z: 54 49.345 2.165 0.935 0.635 0.925 0.604 CB 1.542 54 residues pruned to eliminate duplicates Z: 22 33.482 2.454 0.761 0.527 0.905 0.571 CB 1.819 22 residues pruned to eliminate duplicates Z: 30 38.191 2.371 0.834 0.530 0.897 0.621 CB 1.766 30 residues pruned to eliminate duplicates Z: 29 44.210 2.448 0.934 0.584 0.964 0.679 CB 1.689 29 residues pruned to eliminate duplicates Z: 28 35.830 2.389 0.836 0.457 0.926 0.593 CB 1.775 28 residues pruned to eliminate duplicates Z: 30 30.741 2.308 0.601 0.486 0.966 0.586 CB 1.623 30 residues pruned to eliminate duplicates Z: 32 33.360 2.293 0.759 0.480 0.935 0.613 CB 1.620 32 residues pruned to eliminate duplicates Z: 29 39.917 2.385 0.985 0.500 0.964 0.679 CB 1.652 29 residues pruned to eliminate duplicates Z: 30 39.660 2.369 0.935 0.506 0.931 0.655 CB 1.716 30 residues pruned to eliminate duplicates Z: 28 42.007 2.447 0.915 0.574 0.963 0.704 CB 1.668 28 residues pruned to eliminate duplicates Z: 25 34.425 2.303 0.884 0.578 0.958 0.708 CB 1.568 25 residues pruned to eliminate duplicates Z: 31 38.632 2.361 0.979 0.531 0.933 0.600 CB 1.568 31 residues pruned to eliminate duplicates Z: 34 33.759 2.232 0.801 0.553 0.939 0.758 CB 1.477 34 residues pruned to eliminate duplicates Z: 29 45.685 2.415 1.035 0.548 0.964 0.714 CB 1.738 29 residues pruned to eliminate duplicates Z: 33 30.497 2.292 0.637 0.536 0.906 0.625 CB 1.530 33 residues pruned to eliminate duplicates Z: 61 54.837 2.339 0.813 0.579 0.917 0.617 CB 1.688 61 residues pruned to eliminate duplicates Z: 66 57.377 2.307 0.837 0.552 0.938 0.692 CB 1.702 68 residues pruned to eliminate duplicates Z: 19 35.076 2.256 1.265 0.692 0.889 0.833 CB 1.527 19 residues pruned to eliminate duplicates Z: 49 32.932 2.174 0.663 0.504 0.896 0.688 CB 1.463 49 residues pruned to eliminate duplicates Z: 65 56.250 2.319 0.832 0.573 0.938 0.734 CB 1.645 63 residues pruned to eliminate duplicates Z: 15 44.714 2.434 1.046 0.943 1.000 0.929 CB 1.662 15 residues pruned to eliminate duplicates Z: 39 36.297 2.208 0.697 0.556 0.947 0.711 CB 1.571 39 residues pruned to eliminate duplicates Z: 32 46.321 2.331 0.828 0.635 1.000 0.645 CB 1.721 32 residues pruned to eliminate duplicates Z: 27 25.695 2.140 0.830 0.528 0.808 0.615 CB 1.550 27 residues pruned to eliminate duplicates Z: 22 29.597 2.218 0.897 0.598 0.905 0.762 CB 1.545 22 residues pruned to eliminate duplicates Z: 24 30.236 2.258 0.888 0.541 0.913 0.696 CB 1.556 24 residues pruned to eliminate duplicates Z: 37 35.791 2.281 0.622 0.559 0.944 0.694 CB 1.613 37 residues pruned to eliminate duplicates Z: 37 40.259 2.279 0.846 0.588 0.944 0.722 CB 1.551 37 residues pruned to eliminate duplicates Z: 14 50.536 2.468 1.112 0.928 1.000 0.846 CB 1.883 14 residues pruned to eliminate duplicates Z: 32 46.118 2.326 0.815 0.619 1.000 0.710 CB 1.752 32 residues pruned to eliminate duplicates Z: 32 48.458 2.344 0.900 0.627 1.000 0.645 CB 1.735 32 residues pruned to eliminate duplicates Z: 33 39.809 2.302 0.738 0.586 0.969 0.750 CB 1.672 33 residues pruned to eliminate duplicates Z: 65 56.177 2.328 0.858 0.573 0.953 0.750 CB 1.588 65 residues pruned to eliminate duplicates Z: 37 39.899 2.253 0.732 0.588 0.972 0.750 CB 1.611 37 residues pruned to eliminate duplicates Z: 66 52.906 2.274 0.872 0.511 0.923 0.615 CB 1.652 66 residues pruned to eliminate duplicates Z: 45 33.197 2.102 0.582 0.508 0.955 0.682 CB 1.564 45 residues pruned to eliminate duplicates Z: 31 42.056 2.324 0.802 0.577 0.967 0.767 CB 1.760 31 residues pruned to eliminate duplicates Z: 31 44.746 2.348 0.872 0.619 1.000 0.667 CB 1.660 31 residues pruned to eliminate duplicates Z: 20 17.329 2.118 0.526 0.476 0.842 0.421 CB 1.497 20 residues pruned to eliminate duplicates Z: 31 45.187 2.371 0.707 0.628 1.000 0.733 CB 1.807 31 residues pruned to eliminate duplicates Z: 33 43.262 2.302 0.866 0.578 0.969 0.719 CB 1.704 33 residues pruned to eliminate duplicates Z: 37 34.869 2.269 0.719 0.534 0.889 0.667 CB 1.621 37 residues pruned to eliminate duplicates Z: 36 34.958 2.233 0.558 0.567 0.943 0.714 CB 1.689 36 residues pruned to eliminate duplicates Z: 47 37.783 2.253 0.691 0.490 0.913 0.674 CB 1.618 47 residues pruned to eliminate duplicates Z: 13 14.281 1.906 0.539 0.491 1.000 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 6 6.372 1.848 1.147 0.303 1.000 0.600 CA 0.895 6 residues pruned to eliminate duplicates Z: 18 13.563 1.847 0.715 0.334 0.941 0.706 CB 1.323 18 residues pruned to eliminate duplicates Z: 14 20.445 2.199 0.832 0.399 1.000 0.769 CB 1.566 14 residues pruned to eliminate duplicates Z: 15 17.644 2.147 0.834 0.393 0.929 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 14 21.145 2.190 0.855 0.401 1.000 0.692 CB 1.602 14 residues pruned to eliminate duplicates Z: 14 15.871 2.211 0.803 0.391 0.769 0.615 CB 1.611 14 residues pruned to eliminate duplicates Z: 15 18.882 2.085 0.943 0.413 0.929 0.643 CB 1.469 15 residues pruned to eliminate duplicates Z: 21 28.879 2.372 0.772 0.461 0.950 0.500 CA 1.682 21 residues pruned to eliminate duplicates Z: 6 3.135 1.452 0.440 0.312 0.800 0.600 CA 1.032 6 residues pruned to eliminate duplicates Z: 9 16.332 2.252 1.062 0.514 0.750 0.500 CB 1.635 10 residues pruned to eliminate duplicates Z: 6 6.404 1.721 0.708 0.401 0.800 0.400 CA 1.352 6 residues pruned to eliminate duplicates Z: 14 29.850 2.584 0.772 0.470 0.923 0.538 CB 2.019 14 residues pruned to eliminate duplicates Z: 21 33.326 2.431 0.860 0.473 0.900 0.550 CB 1.882 21 residues pruned to eliminate duplicates Z: 19 24.685 2.330 0.841 0.375 0.833 0.556 CB 1.861 19 residues pruned to eliminate duplicates Z: 20 27.623 2.296 0.820 0.465 0.947 0.579 CA 1.658 20 residues pruned to eliminate duplicates Z: 26 35.813 2.397 0.864 0.455 0.920 0.440 CB 1.824 26 residues pruned to eliminate duplicates Z: 28 29.242 2.328 0.835 0.399 0.852 0.333 CB 1.720 28 residues pruned to eliminate duplicates Z: 25 43.613 2.469 1.000 0.477 0.958 0.500 CB 1.925 25 residues pruned to eliminate duplicates Z: 6 2.443 1.774 0.522 0.195 0.400 0.200 CA 1.456 6 residues pruned to eliminate duplicates Z: 27 26.921 2.360 0.789 0.374 0.846 0.346 CB 1.691 27 residues pruned to eliminate duplicates Z: 14 13.468 2.236 0.622 0.307 0.769 0.385 CB 1.660 14 residues pruned to eliminate duplicates Z: 25 31.003 2.416 0.914 0.391 0.875 0.458 CB 1.755 25 residues pruned to eliminate duplicates Z: 9 19.793 2.242 0.873 0.605 0.875 0.750 CB 1.724 9 residues pruned to eliminate duplicates Z: 18 24.287 2.175 0.822 0.588 0.941 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 22 18.025 2.154 0.933 0.383 0.762 0.381 CB 1.403 22 residues pruned to eliminate duplicates Z: 15 15.815 2.120 0.695 0.422 0.857 0.571 CB 1.488 15 residues pruned to eliminate duplicates Z: 17 10.073 1.955 0.492 0.360 0.812 0.500 CB 1.237 17 residues pruned to eliminate duplicates Z: 13 8.669 2.018 0.432 0.341 0.750 0.500 CA 1.373 13 residues pruned to eliminate duplicates Z: 18 9.663 1.782 0.660 0.328 0.824 0.353 CA 1.161 18 residues pruned to eliminate duplicates Z: 12 16.871 2.188 0.515 0.486 1.000 0.545 CB 1.557 12 residues pruned to eliminate duplicates Z: 42 26.949 2.161 0.716 0.388 0.780 0.390 CB 1.637 42 residues pruned to eliminate duplicates Z: 17 15.891 2.069 0.721 0.358 0.750 0.562 CB 1.733 17 residues pruned to eliminate duplicates Z: 90 50.992 2.165 0.778 0.560 0.910 0.629 CB 1.455 90 residues pruned to eliminate duplicates Z: 14 16.839 2.078 1.213 0.364 0.769 0.462 CA 1.527 14 residues pruned to eliminate duplicates Z: 100 53.925 2.137 0.805 0.553 0.909 0.626 CB 1.468 100 residues pruned to eliminate duplicates Z: 76 43.198 2.152 0.828 0.502 0.893 0.493 CB 1.417 76 residues pruned to eliminate duplicates Z: 99 52.926 2.141 0.824 0.558 0.918 0.612 CB 1.409 98 residues pruned to eliminate duplicates Z: 10 9.942 1.981 0.585 0.399 0.889 0.444 CA 1.321 10 residues pruned to eliminate duplicates Z: 99 54.398 2.147 0.816 0.568 0.918 0.643 CB 1.436 99 residues pruned to eliminate duplicates Z: 17 29.455 2.181 0.911 0.836 0.938 0.562 CA 1.411 17 residues pruned to eliminate duplicates Z: 84 55.623 2.246 0.872 0.569 0.904 0.651 CB 1.502 84 residues pruned to eliminate duplicates Z: 98 51.461 2.160 0.761 0.560 0.907 0.619 CB 1.428 98 residues pruned to eliminate duplicates Z: 97 53.018 2.171 0.891 0.493 0.885 0.562 CB 1.499 211 residues pruned to eliminate duplicates Z: 26 31.027 2.269 0.853 0.618 0.840 0.600 CB 1.572 Z: 15 29.940 2.334 0.699 0.843 1.000 0.786 CB 1.503 15 residues pruned to eliminate duplicates Z: 73 47.626 2.233 0.781 0.590 0.875 0.556 CB 1.480 26 residues pruned to eliminate duplicates Z: 15 34.990 2.203 0.979 0.839 1.000 0.643 CA 1.602 15 residues pruned to eliminate duplicates Z: 98 48.938 2.125 0.707 0.556 0.907 0.588 CB 1.429 72 residues pruned to eliminate duplicates Z: 14 33.641 2.339 0.851 0.823 1.000 0.769 CB 1.629 14 residues pruned to eliminate duplicates Z: 75 48.247 2.230 0.764 0.558 0.905 0.595 CB 1.490 75 residues pruned to eliminate duplicates Z: 16 29.564 2.180 0.901 0.844 0.933 0.800 CB 1.468 16 residues pruned to eliminate duplicates Z: 74 47.579 2.234 0.841 0.547 0.863 0.534 CB 1.499 73 residues pruned to eliminate duplicates Z: 14 25.432 2.218 0.758 0.775 1.000 0.846 CA 1.419 14 residues pruned to eliminate duplicates Z: 71 49.452 2.242 0.828 0.569 0.900 0.557 CB 1.499 71 residues pruned to eliminate duplicates Z: 99 51.753 2.121 0.768 0.539 0.939 0.643 CB 1.430 98 residues pruned to eliminate duplicates Z: 6 5.187 1.828 0.276 0.699 0.800 0.400 CB 1.037 6 residues pruned to eliminate duplicates Z: 85 51.010 2.212 0.815 0.559 0.893 0.560 CB 1.466 75 residues pruned to eliminate duplicates Z: 8 10.541 1.805 0.953 0.541 0.857 0.429 CB 1.266 8 residues pruned to eliminate duplicates Z: 71 47.236 2.188 0.715 0.549 0.957 0.686 CB 1.499 71 residues pruned to eliminate duplicates Z: 80 51.283 2.184 0.834 0.557 0.911 0.557 CB 1.494 80 residues pruned to eliminate duplicates Z: 99 49.232 2.137 0.812 0.557 0.857 0.612 CB 1.417 99 residues pruned to eliminate duplicates Z: 38 30.458 2.179 0.653 0.516 0.892 0.568 CB 1.534 38 residues pruned to eliminate duplicates Z: 89 51.120 2.148 0.817 0.577 0.898 0.625 CB 1.445 89 residues pruned to eliminate duplicates Z: 88 55.625 2.176 0.845 0.575 0.931 0.644 CB 1.485 88 residues pruned to eliminate duplicates Z: 44 39.158 2.262 0.808 0.523 0.884 0.535 CB 1.616 44 residues pruned to eliminate duplicates Z: 83 50.708 2.199 0.804 0.559 0.915 0.598 CB 1.457 83 residues pruned to eliminate duplicates Z: 103 49.032 2.090 0.776 0.563 0.892 0.647 CB 1.379 103 residues pruned to eliminate duplicates Z: 85 49.655 2.204 0.764 0.564 0.893 0.560 CB 1.467 85 residues pruned to eliminate duplicates Z: 44 40.127 2.291 0.719 0.555 0.930 0.651 CB 1.584 44 residues pruned to eliminate duplicates Z: 113 63.916 2.290 0.882 0.524 0.866 0.643 CB 1.580 224 residues pruned to eliminate duplicates Z: 98 50.368 2.139 0.735 0.558 0.918 0.577 CB 1.420 Z: 16 28.842 2.283 0.922 0.773 0.800 0.467 CA 1.667 16 residues pruned to eliminate duplicates Z: 84 55.935 2.220 0.887 0.591 0.916 0.651 CB 1.467 73 residues pruned to eliminate duplicates Z: 17 33.144 2.222 1.069 0.771 0.875 0.500 CA 1.621 17 residues pruned to eliminate duplicates Z: 97 53.520 2.168 0.812 0.562 0.906 0.635 CB 1.445 97 residues pruned to eliminate duplicates Z: 16 32.789 2.251 1.125 0.739 0.933 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 74 52.461 2.232 0.878 0.569 0.932 0.562 CB 1.471 74 residues pruned to eliminate duplicates Z: 75 51.665 2.217 0.852 0.576 0.919 0.662 CB 1.480 75 residues pruned to eliminate duplicates Z: 101 54.252 2.110 0.851 0.559 0.930 0.630 CB 1.410 100 residues pruned to eliminate duplicates Z: 17 29.260 2.159 0.909 0.755 0.875 0.562 CB 1.616 17 residues pruned to eliminate duplicates Z: 120 53.763 2.133 0.757 0.530 0.908 0.555 CB 1.406 230 residues pruned to eliminate duplicates Z: 79 48.458 2.162 0.871 0.550 0.897 0.551 CB 1.439 Z: 6 4.456 1.709 0.288 0.309 1.000 0.800 CA 1.119 6 residues pruned to eliminate duplicates Z: 100 50.715 2.141 0.816 0.552 0.899 0.687 CB 1.387 79 residues pruned to eliminate duplicates Z: 15 17.220 1.887 0.605 0.733 1.000 0.714 CB 1.232 15 residues pruned to eliminate duplicates Z: 71 52.148 2.259 0.854 0.610 0.914 0.671 CB 1.466 71 residues pruned to eliminate duplicates Z: 73 58.101 2.258 0.927 0.599 0.958 0.653 CB 1.495 74 residues pruned to eliminate duplicates Z: 12 13.593 2.041 0.576 0.849 0.909 0.727 CB 1.039 12 residues pruned to eliminate duplicates Z: 78 50.400 2.209 0.901 0.568 0.909 0.610 CB 1.408 78 residues pruned to eliminate duplicates Z: 74 48.434 2.220 0.813 0.572 0.904 0.603 CB 1.453 74 residues pruned to eliminate duplicates Z: 74 55.951 2.260 0.915 0.582 0.945 0.644 CB 1.480 74 residues pruned to eliminate duplicates Z: 12 13.531 2.061 0.743 0.891 0.909 0.545 CB 0.899 12 residues pruned to eliminate duplicates Z: 53 26.377 1.918 0.683 0.522 0.923 0.635 CB 1.201 53 residues pruned to eliminate duplicates Z: 14 15.218 1.901 0.899 0.864 0.923 0.692 CB 0.928 14 residues pruned to eliminate duplicates Z: 98 52.019 2.152 0.817 0.573 0.907 0.577 CB 1.388 99 residues pruned to eliminate duplicates Z: 14 11.457 1.991 0.851 0.759 0.923 0.538 CB 0.742 14 residues pruned to eliminate duplicates Z: 100 56.085 2.139 0.881 0.563 0.939 0.576 CB 1.403 98 residues pruned to eliminate duplicates Z: 6 7.042 1.598 0.555 0.495 1.000 0.800 CA 1.273 6 residues pruned to eliminate duplicates Z: 29 16.069 1.848 0.522 0.498 0.929 0.679 CB 1.165 29 residues pruned to eliminate duplicates Z: 118 56.916 2.170 0.778 0.540 0.923 0.573 CB 1.420 218 residues pruned to eliminate duplicates Z: 28 15.974 1.833 0.499 0.510 0.926 0.704 CB 1.196 Z: 7 4.860 1.519 0.830 0.365 0.833 0.667 CA 0.989 7 residues pruned to eliminate duplicates Z: 99 54.085 2.134 0.889 0.553 0.929 0.531 CB 1.386 28 residues pruned to eliminate duplicates Z: 12 12.506 1.715 0.438 0.804 1.000 0.636 CA 1.172 11 residues pruned to eliminate duplicates Z: 11 10.998 1.829 0.370 0.782 0.900 0.600 CA 1.203 11 residues pruned to eliminate duplicates Z: 26 18.161 1.853 0.602 0.470 0.920 0.680 CB 1.372 21 residues pruned to eliminate duplicates Z: 12 9.861 1.670 0.399 0.736 0.909 0.727 CA 1.133 12 residues pruned to eliminate duplicates Z: 20 26.511 2.060 0.820 0.554 1.000 0.789 CB 1.540 26 residues pruned to eliminate duplicates Z: 11 10.867 1.856 0.423 0.737 0.900 0.800 CA 1.169 12 residues pruned to eliminate duplicates Z: 10 10.189 1.898 0.382 0.688 0.889 0.778 CB 1.226 10 residues pruned to eliminate duplicates Z: 20 22.869 2.045 0.652 0.565 0.947 0.789 CB 1.539 20 residues pruned to eliminate duplicates Z: 20 26.403 2.065 0.747 0.592 1.000 0.789 CB 1.538 20 residues pruned to eliminate duplicates Z: 8 7.371 1.864 0.748 0.491 0.857 0.571 CA 1.006 8 residues pruned to eliminate duplicates Z: 21 24.922 1.929 0.789 0.591 1.000 0.800 CB 1.480 21 residues pruned to eliminate duplicates Z: 21 23.364 1.989 0.761 0.554 1.000 0.750 CB 1.414 21 residues pruned to eliminate duplicates Z: 21 29.017 2.051 0.886 0.578 1.000 0.700 CB 1.556 21 residues pruned to eliminate duplicates Z: 21 20.995 1.970 0.695 0.540 0.950 0.800 CB 1.422 21 residues pruned to eliminate duplicates 615 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 6 D: 14 E: 20 F: 16 G: 17 H: 15 I: 188 J: 11 K: 200 L: 99 M: 17 CC for partial structure against native data = 35.76 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.494, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.569, Connect. = 0.776 for dens.mod. cycle 2 = 0.300, Contrast = 0.675, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.687, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.701, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.707, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.714, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.717, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.720, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.722, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4527 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1048 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 47.930 2.451 0.647 0.904 1.000 0.700 CA 1.891 B: 18 28.605 1.964 1.058 0.889 0.882 0.824 CB 1.401 C: 13 48.100 2.560 1.072 0.928 1.000 0.917 CB 1.834 D: 31 36.434 2.448 0.702 0.455 0.933 0.367 CB 1.791 E: 14 35.351 2.336 0.980 0.886 0.923 0.692 CA 1.658 F: 13 28.954 2.420 0.718 0.765 1.000 0.667 CA 1.589 13 residues pruned to eliminate duplicates G: 13 33.620 2.350 0.882 0.852 0.917 0.667 CA 1.770 13 residues pruned to eliminate duplicates H: 26 27.183 2.307 0.777 0.414 0.840 0.480 CB 1.727 26 residues pruned to eliminate duplicates I: 14 31.847 2.220 0.909 0.776 1.000 0.769 CA 1.634 J: 16 44.396 2.364 1.349 0.878 0.867 0.533 CA 1.729 18 residues pruned to eliminate duplicates K: 20 51.450 2.486 0.834 0.916 1.000 0.842 CA 1.828 21 residues pruned to eliminate duplicates L: 20 46.471 2.466 0.700 0.910 0.947 0.684 CA 1.904 20 residues pruned to eliminate duplicates M: 14 22.721 2.145 0.721 0.804 0.846 0.615 CB 1.548 N: 16 41.609 2.436 0.961 0.821 0.933 0.733 CB 1.824 16 residues pruned to eliminate duplicates O: 11 29.499 2.497 0.716 0.881 0.900 0.700 CA 1.751 11 residues pruned to eliminate duplicates P: 11 33.669 2.515 0.804 0.850 1.000 0.700 CB 1.738 11 residues pruned to eliminate duplicates Q: 14 37.736 2.426 0.846 0.924 0.923 0.923 CA 1.779 14 residues pruned to eliminate duplicates R: 13 25.462 2.333 0.432 0.846 1.000 0.750 CA 1.634 13 residues pruned to eliminate duplicates S: 39 49.147 2.325 0.703 0.847 0.921 0.763 CB 1.623 19 residues pruned to eliminate duplicates T: 15 32.560 2.323 0.759 0.925 1.000 0.857 CB 1.495 U: 21 33.628 2.265 0.706 0.891 0.950 0.750 CB 1.472 V: 16 49.104 2.336 1.241 0.947 1.000 0.867 CB 1.674 16 residues pruned to eliminate duplicates W: 15 52.200 2.487 1.088 0.941 1.000 0.857 CA 1.864 16 residues pruned to eliminate duplicates X: 38 41.214 2.320 0.784 0.566 0.946 0.649 CB 1.624 25 residues pruned to eliminate duplicates Y: 36 31.068 2.174 0.622 0.653 0.914 0.743 CB 1.412 Z: 16 57.046 2.357 1.382 0.921 1.000 0.867 CA 1.847 16 residues pruned to eliminate duplicates Z: 21 57.887 2.460 1.002 0.896 1.000 0.750 CB 1.883 21 residues pruned to eliminate duplicates Z: 11 23.800 2.155 0.712 0.882 0.900 0.700 CB 1.639 11 residues pruned to eliminate duplicates Z: 56 40.689 2.099 0.787 0.630 0.909 0.618 CB 1.423 36 residues pruned to eliminate duplicates Z: 16 47.117 2.357 1.091 0.900 1.000 0.733 CB 1.762 16 residues pruned to eliminate duplicates Z: 17 30.159 2.267 0.741 0.796 0.938 0.562 CB 1.572 14 residues pruned to eliminate duplicates Z: 16 15.157 2.065 0.693 0.311 0.933 0.667 CB 1.479 Z: 65 47.558 2.206 0.913 0.525 0.922 0.516 CB 1.490 14 residues pruned to eliminate duplicates Z: 29 42.577 2.422 0.805 0.516 0.964 0.571 CB 1.879 14 residues pruned to eliminate duplicates Z: 16 34.305 2.321 0.702 0.795 1.000 0.667 CA 1.732 17 residues pruned to eliminate duplicates Z: 11 28.795 2.522 0.723 0.862 0.900 0.500 CA 1.709 11 residues pruned to eliminate duplicates Z: 11 17.758 2.265 0.925 0.484 0.800 0.500 CB 1.636 11 residues pruned to eliminate duplicates Z: 31 38.382 2.383 0.768 0.556 0.867 0.733 CA 1.817 29 residues pruned to eliminate duplicates Z: 15 33.113 2.338 0.711 0.860 1.000 0.857 CA 1.627 15 residues pruned to eliminate duplicates Z: 17 48.303 2.412 0.939 0.896 1.000 0.938 CB 1.850 17 residues pruned to eliminate duplicates Z: 57 45.545 2.156 0.806 0.631 0.893 0.554 CB 1.548 54 residues pruned to eliminate duplicates Z: 17 29.156 2.250 0.741 0.735 0.875 0.438 CB 1.721 17 residues pruned to eliminate duplicates Z: 9 17.177 2.281 0.712 0.588 0.875 0.625 CA 1.634 9 residues pruned to eliminate duplicates Z: 20 32.881 2.307 0.488 0.922 0.947 0.895 CB 1.631 20 residues pruned to eliminate duplicates Z: 53 41.694 2.301 0.639 0.621 0.923 0.692 CB 1.482 47 residues pruned to eliminate duplicates Z: 15 38.979 2.351 0.971 0.921 0.929 0.786 CA 1.703 13 residues pruned to eliminate duplicates Z: 14 41.872 2.399 1.071 0.927 1.000 0.615 CB 1.638 14 residues pruned to eliminate duplicates Z: 15 26.041 2.293 0.423 0.929 1.000 0.929 CB 1.493 15 residues pruned to eliminate duplicates Z: 64 57.011 2.361 0.749 0.574 0.921 0.619 CB 1.759 47 residues pruned to eliminate duplicates Z: 20 33.558 2.401 0.620 0.638 1.000 0.632 CB 1.739 20 residues pruned to eliminate duplicates Z: 17 32.800 2.008 0.744 0.950 1.000 0.812 CB 1.615 Z: 14 26.849 2.138 0.929 0.805 0.923 0.692 CB 1.499 13 residues pruned to eliminate duplicates Z: 16 32.911 2.261 0.991 0.791 0.867 0.667 CB 1.687 16 residues pruned to eliminate duplicates Z: 19 16.370 2.073 0.535 0.464 0.833 0.611 CB 1.510 Z: 17 40.090 2.247 0.765 0.887 1.000 0.812 CA 1.821 17 residues pruned to eliminate duplicates Z: 38 40.168 2.306 0.712 0.573 0.919 0.676 CB 1.696 38 residues pruned to eliminate duplicates Z: 16 17.306 1.977 0.793 0.424 0.933 0.667 CB 1.461 16 residues pruned to eliminate duplicates Z: 12 37.649 2.547 0.795 0.835 1.000 0.818 CA 1.859 12 residues pruned to eliminate duplicates Z: 17 20.490 2.126 0.607 0.695 0.812 0.562 CB 1.544 17 residues pruned to eliminate duplicates Z: 26 29.512 2.444 0.688 0.430 0.840 0.400 CB 1.831 26 residues pruned to eliminate duplicates Z: 13 28.291 2.389 0.895 0.820 0.750 0.500 CA 1.823 13 residues pruned to eliminate duplicates Z: 16 52.030 2.519 1.229 0.816 0.933 0.800 CB 1.949 16 residues pruned to eliminate duplicates Z: 25 31.542 2.299 0.664 0.486 0.958 0.417 CA 1.781 Z: 38 53.031 2.320 0.676 0.863 1.000 0.784 CB 1.644 38 residues pruned to eliminate duplicates Z: 15 32.220 2.258 0.854 0.926 1.000 0.929 CB 1.443 15 residues pruned to eliminate duplicates Z: 13 26.824 2.363 0.360 0.878 1.000 0.833 CA 1.748 13 residues pruned to eliminate duplicates Z: 14 30.664 2.311 0.713 0.928 1.000 0.846 CB 1.504 14 residues pruned to eliminate duplicates Z: 22 30.407 2.342 0.856 0.403 0.952 0.381 CA 1.775 22 residues pruned to eliminate duplicates Z: 15 16.977 2.086 0.589 0.428 1.000 0.857 CB 1.474 16 residues pruned to eliminate duplicates Z: 89 54.471 2.307 0.619 0.578 0.920 0.602 CB 1.568 80 residues pruned to eliminate duplicates Z: 8 9.557 1.809 0.691 0.552 1.000 0.714 CB 1.122 Z: 38 57.011 2.356 0.743 0.871 0.973 0.703 CB 1.711 38 residues pruned to eliminate duplicates Z: 31 36.639 2.405 0.749 0.567 0.933 0.567 CB 1.597 32 residues pruned to eliminate duplicates Z: 17 22.742 2.136 0.924 0.450 0.875 0.500 CB 1.664 17 residues pruned to eliminate duplicates Z: 16 24.040 2.227 0.394 0.833 1.000 0.733 CB 1.500 Z: 15 28.307 2.263 0.808 0.844 0.857 0.643 CA 1.605 16 residues pruned to eliminate duplicates Z: 32 39.179 2.422 0.741 0.548 0.935 0.581 CB 1.702 30 residues pruned to eliminate duplicates Z: 14 17.686 2.284 0.407 0.586 0.923 0.615 CA 1.522 13 residues pruned to eliminate duplicates Z: 22 16.964 2.109 0.491 0.445 0.762 0.571 CB 1.634 19 residues pruned to eliminate duplicates Z: 20 48.381 2.420 0.767 0.933 1.000 0.737 CB 1.812 20 residues pruned to eliminate duplicates Z: 14 26.104 2.115 0.785 0.875 0.846 0.769 CA 1.648 14 residues pruned to eliminate duplicates Z: 15 29.678 2.300 0.605 0.923 1.000 1.000 CB 1.510 15 residues pruned to eliminate duplicates Z: 18 30.009 2.084 0.882 0.814 0.941 0.529 CB 1.501 18 residues pruned to eliminate duplicates Z: 17 19.447 1.902 0.502 0.893 0.938 0.750 CB 1.303 17 residues pruned to eliminate duplicates Z: 17 43.404 2.293 1.274 0.925 0.938 0.875 CB 1.557 16 residues pruned to eliminate duplicates Z: 15 22.829 2.281 0.266 0.868 0.929 0.786 CB 1.663 15 residues pruned to eliminate duplicates Z: 35 23.018 2.121 0.497 0.466 0.853 0.559 CB 1.508 35 residues pruned to eliminate duplicates Z: 14 25.113 2.258 0.637 0.725 1.000 0.692 CA 1.539 14 residues pruned to eliminate duplicates Z: 15 30.745 2.258 0.802 0.912 1.000 0.643 CB 1.429 15 residues pruned to eliminate duplicates Z: 16 32.365 1.988 0.796 0.932 1.000 0.733 CB 1.635 16 residues pruned to eliminate duplicates Z: 17 20.197 1.992 0.325 0.929 0.938 0.812 CB 1.428 17 residues pruned to eliminate duplicates Z: 14 31.107 2.388 0.652 0.807 1.000 0.692 CA 1.673 14 residues pruned to eliminate duplicates Z: 18 26.565 1.951 0.561 0.908 1.000 0.765 CB 1.502 18 residues pruned to eliminate duplicates Z: 21 31.148 2.209 0.470 0.930 1.000 0.900 CB 1.500 21 residues pruned to eliminate duplicates Z: 49 44.041 2.199 0.921 0.611 0.938 0.583 CB 1.444 49 residues pruned to eliminate duplicates Z: 6 7.130 2.054 0.169 0.556 1.000 0.600 CB 1.258 6 residues pruned to eliminate duplicates Z: 20 26.152 2.053 0.770 0.550 1.000 0.632 CB 1.572 Z: 29 29.914 2.232 0.779 0.522 0.893 0.750 CB 1.560 29 residues pruned to eliminate duplicates Z: 37 33.956 2.106 0.645 0.827 0.889 0.722 CB 1.385 21 residues pruned to eliminate duplicates Z: 15 25.788 1.988 1.040 0.839 0.929 0.714 CB 1.367 15 residues pruned to eliminate duplicates Z: 17 32.538 2.273 0.832 0.781 0.938 0.625 CB 1.627 17 residues pruned to eliminate duplicates Z: 7 2.862 1.968 -0.059 0.504 0.667 0.500 CB 0.943 Z: 36 34.770 2.164 0.511 0.870 0.943 0.800 CB 1.391 36 residues pruned to eliminate duplicates Z: 8 17.703 2.382 0.196 0.920 1.000 1.000 CB 1.654 8 residues pruned to eliminate duplicates Z: 16 52.629 2.360 1.262 0.917 1.000 0.600 CB 1.797 17 residues pruned to eliminate duplicates Z: 31 33.684 2.116 1.018 0.681 0.900 0.667 CB 1.356 31 residues pruned to eliminate duplicates Z: 23 19.814 2.015 0.643 0.556 0.955 0.591 CB 1.266 Z: 32 29.568 2.255 0.748 0.451 0.903 0.581 CB 1.568 32 residues pruned to eliminate duplicates Z: 20 43.179 2.333 0.921 0.925 0.947 0.789 CB 1.638 20 residues pruned to eliminate duplicates Z: 14 24.905 2.388 0.900 0.477 0.846 0.538 CA 1.841 14 residues pruned to eliminate duplicates Z: 33 29.141 2.087 0.734 0.638 0.938 0.656 CB 1.333 22 residues pruned to eliminate duplicates Z: 12 32.986 2.502 0.730 0.855 1.000 0.636 CA 1.696 12 residues pruned to eliminate duplicates Z: 16 20.141 2.114 0.862 0.530 0.867 0.733 CB 1.481 16 residues pruned to eliminate duplicates Z: 17 36.081 2.226 0.856 0.796 1.000 0.688 CA 1.684 17 residues pruned to eliminate duplicates Z: 23 14.896 2.106 0.512 0.355 0.909 0.545 CB 1.283 13 residues pruned to eliminate duplicates Z: 16 24.013 2.095 0.329 0.934 1.000 0.867 CB 1.553 16 residues pruned to eliminate duplicates Z: 44 35.956 2.257 0.822 0.460 0.884 0.419 CB 1.571 38 residues pruned to eliminate duplicates Z: 32 46.653 2.365 0.699 0.635 1.000 0.677 CB 1.837 32 residues pruned to eliminate duplicates Z: 16 21.634 2.139 0.471 0.876 0.933 0.733 CB 1.383 16 residues pruned to eliminate duplicates Z: 12 40.311 2.440 1.105 0.944 1.000 1.000 CA 1.639 12 residues pruned to eliminate duplicates Z: 18 35.486 2.023 0.968 0.918 1.000 0.706 CB 1.524 18 residues pruned to eliminate duplicates Z: 30 50.907 2.440 0.823 0.631 1.000 0.621 CB 1.879 30 residues pruned to eliminate duplicates Z: 14 39.100 2.308 1.178 0.926 1.000 0.692 CB 1.513 14 residues pruned to eliminate duplicates Z: 37 37.976 2.327 0.677 0.578 0.889 0.694 CB 1.692 37 residues pruned to eliminate duplicates Z: 36 37.057 2.155 0.621 0.839 0.971 0.714 CB 1.378 37 residues pruned to eliminate duplicates Z: 16 18.439 1.943 0.399 0.860 0.933 0.800 CB 1.379 16 residues pruned to eliminate duplicates Z: 36 25.341 1.980 0.713 0.567 0.943 0.686 CB 1.256 Z: 15 41.580 2.397 1.171 0.883 0.929 0.571 CA 1.663 15 residues pruned to eliminate duplicates Z: 36 33.788 2.150 0.478 0.833 0.943 0.771 CB 1.430 36 residues pruned to eliminate duplicates Z: 17 28.325 1.986 0.704 0.906 1.000 0.750 CB 1.488 17 residues pruned to eliminate duplicates Z: 14 38.460 2.351 0.955 0.880 1.000 0.846 CB 1.682 14 residues pruned to eliminate duplicates Z: 15 31.544 2.378 0.734 0.805 0.929 0.786 CB 1.686 15 residues pruned to eliminate duplicates Z: 38 33.315 2.151 0.694 0.635 0.919 0.703 CB 1.441 38 residues pruned to eliminate duplicates Z: 9 20.783 2.398 0.379 0.863 0.875 0.875 CB 1.863 9 residues pruned to eliminate duplicates Z: 61 34.820 2.158 0.513 0.579 0.900 0.683 CB 1.418 59 residues pruned to eliminate duplicates Z: 16 20.490 1.971 0.505 0.883 0.933 0.867 CB 1.381 16 residues pruned to eliminate duplicates Z: 54 48.314 2.347 0.745 0.555 0.925 0.509 CB 1.661 40 residues pruned to eliminate duplicates Z: 17 26.567 2.007 0.699 0.905 0.938 0.500 CB 1.478 17 residues pruned to eliminate duplicates Z: 37 32.940 2.183 0.784 0.485 0.889 0.639 CB 1.609 37 residues pruned to eliminate duplicates Z: 13 23.419 2.346 0.625 0.751 1.000 0.750 CA 1.418 13 residues pruned to eliminate duplicates Z: 14 12.465 2.152 0.501 0.368 0.846 0.615 CB 1.457 14 residues pruned to eliminate duplicates Z: 15 28.175 2.358 0.612 0.824 1.000 0.643 CB 1.497 15 residues pruned to eliminate duplicates Z: 115 47.656 2.137 0.595 0.533 0.860 0.561 CB 1.475 119 residues pruned to eliminate duplicates Z: 25 44.427 2.377 0.991 0.582 0.958 0.583 CB 1.848 25 residues pruned to eliminate duplicates Z: 101 51.967 2.115 0.803 0.567 0.900 0.570 CB 1.420 90 residues pruned to eliminate duplicates Z: 17 22.679 1.952 0.415 0.919 1.000 1.000 CB 1.448 17 residues pruned to eliminate duplicates Z: 13 32.623 2.339 0.767 0.927 1.000 1.000 CB 1.596 13 residues pruned to eliminate duplicates Z: 33 39.355 2.410 0.764 0.524 0.969 0.625 CB 1.650 32 residues pruned to eliminate duplicates Z: 12 16.629 2.088 0.336 0.846 0.909 0.909 CB 1.469 12 residues pruned to eliminate duplicates Z: 11 23.389 2.050 0.877 0.876 0.900 0.900 CA 1.552 11 residues pruned to eliminate duplicates Z: 38 50.979 2.387 0.679 0.857 0.892 0.811 CB 1.727 38 residues pruned to eliminate duplicates Z: 18 15.983 1.906 0.574 0.562 0.941 0.706 CB 1.294 19 residues pruned to eliminate duplicates Z: 31 37.395 2.407 0.918 0.508 0.900 0.533 CB 1.631 31 residues pruned to eliminate duplicates Z: 13 25.839 2.243 0.635 0.760 1.000 0.500 CA 1.615 13 residues pruned to eliminate duplicates Z: 18 23.888 1.930 0.397 0.917 1.000 1.000 CA 1.517 17 residues pruned to eliminate duplicates Z: 16 28.173 2.126 0.633 0.939 0.933 0.867 CB 1.560 16 residues pruned to eliminate duplicates Z: 15 27.603 2.296 0.540 0.927 1.000 1.000 CB 1.462 15 residues pruned to eliminate duplicates Z: 17 29.794 1.988 0.948 0.939 1.000 0.688 CB 1.336 17 residues pruned to eliminate duplicates Z: 16 31.415 2.014 0.727 0.934 1.000 0.800 CB 1.626 16 residues pruned to eliminate duplicates Z: 12 19.209 1.986 0.553 0.900 1.000 0.727 CB 1.341 15 residues pruned to eliminate duplicates Z: 17 25.053 1.995 0.514 0.920 0.938 0.812 CB 1.557 17 residues pruned to eliminate duplicates Z: 17 21.884 2.143 0.744 0.496 0.938 0.812 CA 1.568 17 residues pruned to eliminate duplicates Z: 13 16.832 2.325 0.365 0.671 0.750 0.500 CB 1.742 13 residues pruned to eliminate duplicates Z: 15 33.430 2.470 0.828 0.823 0.929 0.786 CB 1.612 15 residues pruned to eliminate duplicates Z: 19 30.495 2.280 1.262 0.556 0.778 0.611 CB 1.696 19 residues pruned to eliminate duplicates Z: 15 35.865 2.438 0.699 0.845 1.000 0.857 CB 1.721 15 residues pruned to eliminate duplicates Z: 36 33.649 2.143 0.630 0.841 0.857 0.743 CB 1.416 36 residues pruned to eliminate duplicates Z: 15 42.173 2.413 0.963 0.902 0.929 0.929 CA 1.828 15 residues pruned to eliminate duplicates Z: 17 17.067 2.068 0.167 0.868 0.938 0.875 CB 1.379 17 residues pruned to eliminate duplicates Z: 15 18.336 2.014 0.510 0.873 0.929 0.857 CB 1.264 15 residues pruned to eliminate duplicates Z: 12 14.806 2.097 0.624 0.875 0.909 0.636 CB 1.049 12 residues pruned to eliminate duplicates Z: 18 28.250 1.959 0.582 0.923 1.000 1.000 CB 1.553 18 residues pruned to eliminate duplicates Z: 35 42.546 2.363 0.701 0.631 0.941 0.676 CB 1.705 35 residues pruned to eliminate duplicates Z: 23 40.052 2.362 0.669 0.854 0.909 0.682 CA 1.759 23 residues pruned to eliminate duplicates Z: 102 61.120 2.313 0.692 0.596 0.931 0.644 CB 1.524 102 residues pruned to eliminate duplicates Z: 16 33.785 2.297 0.813 0.802 0.933 0.600 CB 1.724 16 residues pruned to eliminate duplicates Z: 14 19.313 2.177 0.668 0.415 1.000 0.846 CB 1.613 14 residues pruned to eliminate duplicates Z: 14 43.792 2.538 0.800 0.935 1.000 1.000 CB 1.853 14 residues pruned to eliminate duplicates Z: 18 16.372 1.907 0.759 0.560 0.882 0.647 CB 1.265 18 residues pruned to eliminate duplicates Z: 14 15.759 1.924 0.563 0.718 0.846 0.615 CB 1.410 14 residues pruned to eliminate duplicates Z: 22 19.569 2.095 1.023 0.417 0.857 0.619 CB 1.281 22 residues pruned to eliminate duplicates Z: 36 27.183 2.152 0.656 0.434 0.829 0.514 CB 1.665 36 residues pruned to eliminate duplicates Z: 36 33.956 2.086 0.764 0.634 0.914 0.743 CB 1.504 36 residues pruned to eliminate duplicates Z: 37 32.435 2.103 0.486 0.843 0.944 0.667 CB 1.364 36 residues pruned to eliminate duplicates Z: 16 29.528 2.246 0.774 0.832 0.933 0.600 CB 1.538 16 residues pruned to eliminate duplicates Z: 72 47.850 2.237 0.762 0.563 0.901 0.606 CB 1.504 72 residues pruned to eliminate duplicates Z: 21 35.586 2.502 0.783 0.542 0.950 0.600 CB 1.802 21 residues pruned to eliminate duplicates Z: 24 12.832 2.054 0.453 0.326 0.870 0.391 CB 1.248 47 residues pruned to eliminate duplicates Z: 6 11.842 1.861 0.676 0.793 1.000 0.800 N 1.314 6 residues pruned to eliminate duplicates Z: 15 21.088 2.108 0.769 0.500 0.929 0.786 CB 1.628 15 residues pruned to eliminate duplicates Z: 15 45.691 2.460 1.072 0.813 1.000 0.643 CB 1.825 15 residues pruned to eliminate duplicates Z: 36 34.873 2.123 0.628 0.857 0.943 0.743 CB 1.333 36 residues pruned to eliminate duplicates Z: 11 25.663 2.034 0.773 0.853 1.000 0.800 CA 1.663 11 residues pruned to eliminate duplicates Z: 16 21.313 2.019 0.265 0.920 1.000 0.933 CB 1.517 16 residues pruned to eliminate duplicates Z: 6 2.987 1.426 0.459 0.624 0.600 0.400 O 0.952 6 residues pruned to eliminate duplicates Z: 26 31.364 2.373 0.593 0.612 0.920 0.760 CB 1.622 26 residues pruned to eliminate duplicates Z: 13 14.478 1.977 0.537 0.468 1.000 0.750 CB 1.420 Z: 39 42.869 2.348 0.760 0.615 0.895 0.474 CB 1.687 39 residues pruned to eliminate duplicates Z: 20 20.592 1.932 0.752 0.570 0.947 0.737 CB 1.377 Z: 11 15.188 1.878 0.630 0.846 0.900 0.500 CB 1.296 11 residues pruned to eliminate duplicates Z: 17 22.596 2.051 0.363 0.931 1.000 0.812 CB 1.412 17 residues pruned to eliminate duplicates Z: 31 29.618 2.310 0.559 0.508 0.867 0.667 CA 1.719 31 residues pruned to eliminate duplicates Z: 19 22.885 2.345 0.935 0.422 0.833 0.556 CB 1.547 19 residues pruned to eliminate duplicates Z: 25 21.264 1.858 0.822 0.591 0.917 0.708 CB 1.281 Z: 29 16.210 1.998 0.811 0.394 0.821 0.464 CB 1.153 29 residues pruned to eliminate duplicates Z: 29 18.987 1.830 0.853 0.502 0.893 0.643 CB 1.182 24 residues pruned to eliminate duplicates Z: 21 36.787 2.452 0.789 0.698 0.900 0.750 CB 1.739 21 residues pruned to eliminate duplicates Z: 12 29.918 2.483 0.799 0.829 0.909 0.727 CA 1.671 12 residues pruned to eliminate duplicates Z: 6 4.714 2.059 0.665 0.350 0.600 0.400 CA 1.206 6 residues pruned to eliminate duplicates Z: 32 40.461 2.385 0.783 0.569 0.935 0.581 CB 1.709 33 residues pruned to eliminate duplicates Z: 15 22.470 2.135 0.680 0.819 0.857 0.714 CA 1.481 15 residues pruned to eliminate duplicates Z: 15 24.020 2.159 0.769 0.728 0.857 0.643 CB 1.596 15 residues pruned to eliminate duplicates Z: 20 41.355 2.315 0.759 0.924 1.000 0.789 CB 1.637 20 residues pruned to eliminate duplicates Z: 21 38.182 2.498 0.772 0.593 0.950 0.450 CA 1.859 21 residues pruned to eliminate duplicates Z: 31 22.065 2.172 0.511 0.540 0.833 0.600 CB 1.417 31 residues pruned to eliminate duplicates Z: 13 17.474 1.918 0.477 0.898 1.000 0.750 CB 1.273 12 residues pruned to eliminate duplicates Z: 14 19.979 2.000 0.905 0.528 1.000 0.846 CB 1.415 14 residues pruned to eliminate duplicates Z: 13 20.632 2.217 0.412 0.811 1.000 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 14 22.961 2.025 0.750 0.813 0.923 0.692 CA 1.483 Z: 11 21.509 2.074 0.775 0.853 0.900 0.700 CB 1.518 11 residues pruned to eliminate duplicates Z: 15 11.606 1.790 0.111 0.913 1.000 0.857 CB 1.104 15 residues pruned to eliminate duplicates Z: 104 46.539 2.111 0.604 0.597 0.922 0.680 CB 1.338 104 residues pruned to eliminate duplicates Z: 17 33.366 2.045 0.949 0.939 1.000 0.812 CB 1.454 17 residues pruned to eliminate duplicates Z: 26 16.936 1.793 0.843 0.538 0.880 0.640 CB 1.122 26 residues pruned to eliminate duplicates Z: 36 43.438 2.325 0.852 0.570 0.943 0.771 CB 1.691 36 residues pruned to eliminate duplicates Z: 16 58.428 2.332 1.582 0.904 1.000 0.667 CA 1.785 16 residues pruned to eliminate duplicates Z: 16 22.838 1.972 0.596 0.893 1.000 0.733 CB 1.345 16 residues pruned to eliminate duplicates Z: 18 20.857 1.954 0.941 0.519 0.882 0.647 CB 1.483 18 residues pruned to eliminate duplicates Z: 18 25.244 2.069 0.395 0.907 0.941 0.941 CB 1.602 18 residues pruned to eliminate duplicates Z: 73 38.167 2.118 0.638 0.589 0.917 0.722 CB 1.298 73 residues pruned to eliminate duplicates Z: 16 14.809 1.886 0.983 0.508 0.933 0.600 CB 1.087 Z: 21 52.873 2.406 0.946 0.907 1.000 0.800 CB 1.795 21 residues pruned to eliminate duplicates Z: 15 26.730 2.156 0.677 0.913 1.000 0.929 CB 1.399 15 residues pruned to eliminate duplicates Z: 18 23.270 2.013 0.294 0.912 1.000 0.941 CA 1.534 18 residues pruned to eliminate duplicates Z: 6 3.083 1.872 0.650 0.289 0.600 0.600 CB 0.943 6 residues pruned to eliminate duplicates Z: 9 16.734 2.034 0.703 0.847 1.000 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 23 30.005 2.392 0.659 0.604 0.864 0.636 CB 1.690 23 residues pruned to eliminate duplicates Z: 18 16.901 1.905 0.581 0.606 0.941 0.706 CB 1.308 18 residues pruned to eliminate duplicates Z: 52 57.267 2.237 0.982 0.672 0.961 0.627 CB 1.606 52 residues pruned to eliminate duplicates Z: 25 27.329 2.233 0.872 0.423 0.875 0.458 CB 1.653 25 residues pruned to eliminate duplicates Z: 36 30.973 2.133 0.552 0.853 0.886 0.714 CB 1.320 36 residues pruned to eliminate duplicates Z: 17 23.652 1.955 0.445 0.894 1.000 0.812 CB 1.502 17 residues pruned to eliminate duplicates Z: 73 38.598 2.222 0.548 0.537 0.847 0.556 CB 1.505 73 residues pruned to eliminate duplicates Z: 63 52.119 2.389 0.641 0.564 0.919 0.694 CB 1.726 63 residues pruned to eliminate duplicates Z: 11 11.158 2.117 0.417 0.877 0.900 0.900 CB 0.949 11 residues pruned to eliminate duplicates Z: 25 17.249 1.802 0.743 0.564 0.875 0.708 CB 1.204 25 residues pruned to eliminate duplicates Z: 21 23.931 2.107 0.763 0.609 0.950 0.550 CB 1.367 21 residues pruned to eliminate duplicates Z: 13 15.384 1.942 0.779 0.904 1.000 1.000 CB 0.916 13 residues pruned to eliminate duplicates Z: 29 31.436 2.259 0.588 0.551 0.929 0.643 CB 1.698 29 residues pruned to eliminate duplicates Z: 20 23.692 2.017 0.654 0.558 1.000 0.789 CB 1.539 20 residues pruned to eliminate duplicates Z: 83 51.524 2.230 0.898 0.499 0.866 0.524 CB 1.554 83 residues pruned to eliminate duplicates Z: 20 35.010 2.465 0.793 0.634 0.947 0.632 CB 1.692 20 residues pruned to eliminate duplicates Z: 17 29.356 1.966 0.817 0.914 1.000 0.625 CB 1.453 17 residues pruned to eliminate duplicates Z: 21 37.307 2.298 0.598 0.911 1.000 0.850 CB 1.610 21 residues pruned to eliminate duplicates Z: 11 22.021 2.180 0.716 0.934 1.000 1.000 CB 1.298 11 residues pruned to eliminate duplicates Z: 20 30.393 2.268 0.814 0.508 0.947 0.421 CB 1.775 20 residues pruned to eliminate duplicates Z: 14 28.589 2.241 0.660 0.932 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 6 4.206 1.820 -0.028 0.649 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 17 11.314 1.843 0.618 0.391 0.812 0.562 CB 1.311 17 residues pruned to eliminate duplicates Z: 14 47.416 2.475 1.245 0.867 0.923 0.923 CB 1.875 14 residues pruned to eliminate duplicates Z: 41 30.402 2.239 0.719 0.428 0.875 0.500 CB 1.538 57 residues pruned to eliminate duplicates Z: 39 45.176 2.307 0.734 0.621 0.974 0.711 CA 1.678 39 residues pruned to eliminate duplicates Z: 38 52.396 2.366 0.663 0.861 0.946 0.757 CB 1.700 38 residues pruned to eliminate duplicates Z: 10 6.578 1.799 0.768 0.457 0.778 0.556 CB 0.926 10 residues pruned to eliminate duplicates Z: 9 13.158 2.006 0.610 0.619 0.875 0.625 CB 1.471 9 residues pruned to eliminate duplicates Z: 28 17.848 1.798 0.810 0.482 0.889 0.630 CB 1.209 28 residues pruned to eliminate duplicates Z: 16 40.026 2.297 1.146 0.907 0.933 0.800 CB 1.597 16 residues pruned to eliminate duplicates Z: 38 47.222 2.320 0.585 0.846 0.946 0.730 CB 1.658 38 residues pruned to eliminate duplicates Z: 11 9.358 1.811 0.715 0.378 0.800 0.400 CA 1.356 11 residues pruned to eliminate duplicates Z: 9 27.245 2.629 0.617 0.607 1.000 0.500 CA 2.046 9 residues pruned to eliminate duplicates Z: 15 33.884 2.366 0.949 0.799 1.000 0.571 CB 1.512 15 residues pruned to eliminate duplicates Z: 17 19.414 1.901 0.395 0.905 1.000 0.875 CB 1.302 17 residues pruned to eliminate duplicates Z: 15 24.191 1.922 0.726 0.861 1.000 0.571 CA 1.433 15 residues pruned to eliminate duplicates Z: 6 12.571 2.106 1.097 0.677 1.000 0.800 CA 1.082 Z: 20 12.443 1.958 0.611 0.487 0.789 0.421 CB 1.161 Z: 6 5.003 1.809 -0.053 0.584 0.800 0.800 N 1.506 6 residues pruned to eliminate duplicates Z: 10 9.136 1.905 0.709 0.321 0.889 0.556 CA 1.282 10 residues pruned to eliminate duplicates Z: 16 25.925 1.993 0.515 0.948 1.000 0.933 CB 1.531 16 residues pruned to eliminate duplicates Z: 42 48.282 2.279 0.852 0.653 0.951 0.659 CB 1.629 42 residues pruned to eliminate duplicates Z: 17 24.464 1.942 0.650 0.927 0.938 0.875 CB 1.427 17 residues pruned to eliminate duplicates Z: 7 15.907 2.390 0.388 0.780 1.000 0.833 CB 1.530 7 residues pruned to eliminate duplicates Z: 15 14.657 2.076 0.689 0.544 0.857 0.786 CB 1.248 15 residues pruned to eliminate duplicates Z: 8 4.112 1.295 0.212 0.668 0.857 0.286 N 0.989 8 residues pruned to eliminate duplicates Z: 17 18.844 2.225 0.437 0.573 0.938 0.562 CB 1.465 Z: 40 37.967 2.285 0.582 0.561 0.923 0.667 CB 1.717 40 residues pruned to eliminate duplicates Z: 31 38.929 2.339 0.671 0.579 0.967 0.633 CB 1.744 31 residues pruned to eliminate duplicates Z: 26 17.255 1.836 0.711 0.529 0.920 0.680 CB 1.160 26 residues pruned to eliminate duplicates Z: 15 25.107 2.120 0.516 0.926 1.000 1.000 CB 1.463 15 residues pruned to eliminate duplicates Z: 20 18.056 1.916 0.601 0.597 0.947 0.684 CB 1.300 20 residues pruned to eliminate duplicates Z: 11 21.480 2.029 0.751 0.629 1.000 0.900 CB 1.693 12 residues pruned to eliminate duplicates Z: 17 37.145 2.223 1.147 0.760 0.938 0.500 CA 1.647 17 residues pruned to eliminate duplicates Z: 21 37.462 2.226 0.727 0.929 1.000 0.700 CB 1.525 21 residues pruned to eliminate duplicates Z: 14 22.988 2.045 0.803 0.816 0.846 0.615 CA 1.553 14 residues pruned to eliminate duplicates Z: 24 17.980 1.824 0.716 0.554 0.913 0.652 CB 1.245 24 residues pruned to eliminate duplicates Z: 38 22.272 1.968 0.720 0.533 0.838 0.622 CB 1.249 43 residues pruned to eliminate duplicates Z: 17 35.657 2.271 1.232 0.784 0.875 0.750 CB 1.565 17 residues pruned to eliminate duplicates Z: 15 25.527 2.078 0.687 0.902 1.000 0.857 CB 1.387 15 residues pruned to eliminate duplicates Z: 17 29.771 2.120 0.581 0.937 1.000 1.000 CB 1.545 17 residues pruned to eliminate duplicates Z: 37 27.478 1.975 0.750 0.593 0.861 0.556 CB 1.408 37 residues pruned to eliminate duplicates Z: 18 14.650 1.901 0.602 0.616 0.882 0.647 CB 1.185 18 residues pruned to eliminate duplicates Z: 13 28.785 2.321 0.790 0.834 1.000 0.833 CB 1.499 13 residues pruned to eliminate duplicates Z: 15 25.986 1.942 0.750 0.869 1.000 0.786 CB 1.493 15 residues pruned to eliminate duplicates Z: 28 36.353 2.202 0.767 0.653 1.000 0.778 CB 1.560 28 residues pruned to eliminate duplicates Z: 8 5.196 1.703 0.458 0.374 0.714 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 18 16.894 1.963 0.601 0.400 1.000 0.706 CB 1.448 18 residues pruned to eliminate duplicates Z: 11 21.181 2.111 0.681 0.650 1.000 0.800 CB 1.641 11 residues pruned to eliminate duplicates Z: 33 39.611 2.250 0.877 0.574 0.938 0.594 CB 1.646 33 residues pruned to eliminate duplicates Z: 15 19.568 2.328 0.753 0.338 0.857 0.357 CA 1.784 15 residues pruned to eliminate duplicates Z: 17 29.728 2.029 0.682 0.911 1.000 0.812 CB 1.544 17 residues pruned to eliminate duplicates Z: 14 26.136 2.191 0.726 0.814 0.923 0.692 CA 1.581 14 residues pruned to eliminate duplicates Z: 7 7.293 1.954 0.589 0.267 0.833 0.500 CB 1.499 7 residues pruned to eliminate duplicates Z: 31 31.220 2.348 0.693 0.468 0.900 0.533 CB 1.646 31 residues pruned to eliminate duplicates Z: 6 3.768 1.491 0.255 0.758 0.800 0.400 CA 0.895 Z: 17 30.612 1.967 0.831 0.940 1.000 0.688 CB 1.475 17 residues pruned to eliminate duplicates Z: 17 27.203 1.944 0.735 0.904 1.000 0.812 CB 1.436 17 residues pruned to eliminate duplicates Z: 36 34.600 2.133 0.530 0.849 0.943 0.686 CB 1.409 36 residues pruned to eliminate duplicates Z: 24 29.540 2.300 0.712 0.548 0.870 0.565 CA 1.717 24 residues pruned to eliminate duplicates Z: 16 19.953 1.905 0.457 0.838 1.000 0.867 CA 1.388 16 residues pruned to eliminate duplicates Z: 18 30.977 2.027 0.868 0.949 1.000 0.647 CB 1.369 18 residues pruned to eliminate duplicates Z: 15 20.518 1.950 0.865 0.796 0.786 0.643 CA 1.481 15 residues pruned to eliminate duplicates Z: 13 17.400 1.992 0.499 0.877 0.917 0.667 CB 1.332 13 residues pruned to eliminate duplicates Z: 16 26.663 2.042 0.531 0.935 1.000 0.933 CB 1.535 16 residues pruned to eliminate duplicates Z: 22 40.197 2.429 0.829 0.606 1.000 0.667 CB 1.784 22 residues pruned to eliminate duplicates Z: 17 30.526 1.992 0.755 0.946 1.000 0.750 CB 1.509 17 residues pruned to eliminate duplicates Z: 10 14.559 2.202 0.620 0.534 0.889 0.778 CA 1.480 10 residues pruned to eliminate duplicates Z: 15 21.199 2.081 0.733 0.586 0.929 0.714 CB 1.558 15 residues pruned to eliminate duplicates Z: 19 52.127 2.482 0.963 0.935 0.944 0.889 CB 1.861 19 residues pruned to eliminate duplicates Z: 27 36.155 2.349 0.551 0.606 0.923 0.731 CB 1.906 27 residues pruned to eliminate duplicates Z: 8 11.408 1.797 0.633 0.872 0.857 0.714 CB 1.250 8 residues pruned to eliminate duplicates Z: 15 13.907 1.840 0.529 0.544 1.000 0.714 CB 1.265 Z: 8 5.914 1.792 0.185 0.448 0.857 0.714 CB 1.294 8 residues pruned to eliminate duplicates Z: 14 16.488 2.301 0.699 0.510 0.846 0.538 CB 1.369 34 residues pruned to eliminate duplicates Z: 14 15.115 1.799 0.721 0.904 0.846 0.692 CB 1.140 13 residues pruned to eliminate duplicates Z: 9 4.999 2.032 0.474 0.210 0.625 0.500 CB 1.330 Z: 16 29.040 2.055 0.633 0.939 1.000 0.800 CB 1.552 16 residues pruned to eliminate duplicates Z: 17 26.257 2.116 0.476 0.934 1.000 0.938 CB 1.466 17 residues pruned to eliminate duplicates Z: 27 24.930 2.084 0.854 0.661 0.885 0.462 CB 1.232 27 residues pruned to eliminate duplicates Z: 6 6.260 1.938 0.064 0.783 0.800 0.400 CA 1.324 6 residues pruned to eliminate duplicates Z: 9 6.344 1.859 -0.071 0.593 0.875 0.625 CB 1.357 Z: 15 18.863 1.923 0.488 0.804 0.929 0.714 CA 1.455 15 residues pruned to eliminate duplicates Z: 16 17.875 2.273 0.546 0.409 0.867 0.200 CB 1.667 16 residues pruned to eliminate duplicates Z: 37 50.939 2.331 0.711 0.854 0.972 0.667 CB 1.616 37 residues pruned to eliminate duplicates Z: 22 39.618 2.174 0.808 0.920 1.000 0.810 CB 1.550 22 residues pruned to eliminate duplicates Z: 23 33.922 2.290 0.521 0.866 0.955 0.818 CB 1.593 23 residues pruned to eliminate duplicates Z: 14 25.347 2.052 0.801 0.832 0.923 0.846 CA 1.547 14 residues pruned to eliminate duplicates Z: 43 33.310 2.164 0.838 0.414 0.881 0.429 CB 1.605 36 residues pruned to eliminate duplicates Z: 17 20.326 1.897 0.281 0.890 1.000 0.875 CB 1.504 17 residues pruned to eliminate duplicates Z: 15 11.094 1.758 0.508 0.512 0.857 0.571 CB 1.290 15 residues pruned to eliminate duplicates Z: 15 28.632 2.308 0.615 0.873 0.857 0.786 CA 1.744 15 residues pruned to eliminate duplicates Z: 10 37.621 2.417 1.174 0.890 1.000 1.000 CA 1.717 10 residues pruned to eliminate duplicates Z: 32 33.541 2.266 0.797 0.468 0.935 0.613 CB 1.634 32 residues pruned to eliminate duplicates Z: 36 25.179 2.234 0.685 0.344 0.800 0.400 CB 1.674 60 residues pruned to eliminate duplicates Z: 14 25.825 2.206 0.718 0.895 1.000 0.462 CB 1.354 14 residues pruned to eliminate duplicates Z: 14 28.143 2.324 0.757 0.767 0.923 0.923 CA 1.634 14 residues pruned to eliminate duplicates 7 1.706 1.752 -0.189 0.401 0.667 0.500 CB 0.816 ? Z: 16 31.726 2.019 0.882 0.926 1.000 0.600 CB 1.511 16 residues pruned to eliminate duplicates Z: 15 40.691 2.391 0.895 0.924 1.000 0.857 CB 1.685 15 residues pruned to eliminate duplicates Z: 17 29.068 1.973 0.702 0.918 1.000 0.750 CB 1.526 17 residues pruned to eliminate duplicates Z: 9 8.974 1.995 0.354 0.665 0.750 0.375 CB 1.345 9 residues pruned to eliminate duplicates Z: 18 24.329 2.229 0.560 0.835 0.882 0.706 CB 1.440 18 residues pruned to eliminate duplicates Z: 21 33.605 2.431 0.812 0.546 0.900 0.550 CB 1.812 21 residues pruned to eliminate duplicates Z: 7 3.019 2.033 0.019 0.241 0.667 0.667 CB 1.205 Z: 65 43.212 2.214 0.723 0.568 0.891 0.625 CB 1.489 65 residues pruned to eliminate duplicates Z: 31 21.436 1.901 0.842 0.579 0.800 0.533 CB 1.295 31 residues pruned to eliminate duplicates Z: 23 27.776 2.265 0.677 0.800 0.773 0.682 CB 1.552 23 residues pruned to eliminate duplicates Z: 14 20.538 2.123 0.639 0.485 1.000 0.846 CB 1.661 Z: 19 14.857 1.932 0.646 0.536 0.889 0.611 CB 1.196 6 residues pruned to eliminate duplicates Z: 10 9.234 1.982 0.342 0.389 0.778 0.444 CB 1.673 10 residues pruned to eliminate duplicates Z: 17 25.053 1.973 0.591 0.915 0.938 0.625 CB 1.504 17 residues pruned to eliminate duplicates Z: 31 22.970 1.942 0.860 0.591 0.900 0.567 CB 1.183 23 residues pruned to eliminate duplicates Z: 8 6.301 2.131 0.049 0.291 0.857 0.286 N 1.571 7 residues pruned to eliminate duplicates Z: 16 34.759 2.291 0.932 0.830 1.000 0.533 CB 1.524 16 residues pruned to eliminate duplicates Z: 21 41.327 2.238 0.824 0.932 1.000 0.750 CB 1.581 21 residues pruned to eliminate duplicates Z: 24 40.985 2.509 0.782 0.626 0.913 0.826 CA 1.860 24 residues pruned to eliminate duplicates Z: 8 15.434 2.035 0.616 0.670 1.000 0.857 CA 1.517 8 residues pruned to eliminate duplicates Z: 8 13.665 2.083 0.763 0.621 0.857 0.571 CA 1.464 8 residues pruned to eliminate duplicates Z: 14 23.197 1.801 0.918 0.878 1.000 0.538 CA 1.352 14 residues pruned to eliminate duplicates Z: 72 56.875 2.305 0.862 0.604 0.901 0.676 CB 1.581 72 residues pruned to eliminate duplicates Z: 8 8.463 1.795 0.618 0.361 1.000 0.714 CB 1.279 8 residues pruned to eliminate duplicates Z: 60 35.708 1.966 0.883 0.621 0.915 0.661 CB 1.224 63 residues pruned to eliminate duplicates Z: 7 3.352 1.813 -0.245 0.360 0.833 0.667 CB 1.396 Z: 11 9.971 1.919 0.334 0.523 0.900 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 7 5.087 1.569 0.781 0.408 0.833 0.500 C 0.982 7 residues pruned to eliminate duplicates Z: 27 31.753 2.269 0.663 0.616 0.962 0.769 CB 1.538 27 residues pruned to eliminate duplicates Z: 8 10.019 1.790 0.528 0.858 0.857 0.429 CB 1.190 8 residues pruned to eliminate duplicates Z: 10 20.374 2.098 0.710 0.829 1.000 0.778 CB 1.425 10 residues pruned to eliminate duplicates Z: 15 24.830 2.298 0.305 0.925 1.000 1.000 CB 1.553 15 residues pruned to eliminate duplicates Z: 25 28.202 2.127 0.890 0.638 0.917 0.500 CB 1.373 25 residues pruned to eliminate duplicates Z: 103 59.596 2.266 0.831 0.515 0.912 0.529 CB 1.538 103 residues pruned to eliminate duplicates Z: 16 24.162 1.960 0.721 0.839 1.000 0.600 CB 1.382 16 residues pruned to eliminate duplicates Z: 16 24.828 2.034 0.438 0.939 1.000 0.933 CB 1.523 16 residues pruned to eliminate duplicates Z: 8 11.521 1.870 0.655 0.612 0.857 0.571 CB 1.476 8 residues pruned to eliminate duplicates Z: 18 41.908 2.459 0.923 0.781 0.941 0.588 CB 1.783 18 residues pruned to eliminate duplicates Z: 91 59.588 2.321 0.695 0.587 0.922 0.633 CB 1.592 91 residues pruned to eliminate duplicates Z: 32 29.084 2.191 0.686 0.593 0.871 0.484 CB 1.486 32 residues pruned to eliminate duplicates Z: 12 14.845 2.000 0.595 0.891 0.909 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 6 3.719 1.539 0.312 0.673 0.600 0.400 CB 1.171 12 residues pruned to eliminate duplicates Z: 14 29.803 2.275 0.918 0.698 0.923 0.692 CB 1.713 14 residues pruned to eliminate duplicates Z: 16 22.183 1.945 0.552 0.841 1.000 0.867 CA 1.415 16 residues pruned to eliminate duplicates Z: 74 50.266 2.231 0.844 0.575 0.918 0.534 CB 1.450 74 residues pruned to eliminate duplicates Z: 30 32.458 2.170 0.931 0.559 0.862 0.517 CB 1.575 32 residues pruned to eliminate duplicates Z: 17 26.781 1.973 0.757 0.897 0.938 0.750 CB 1.474 17 residues pruned to eliminate duplicates Z: 6 2.919 1.772 -0.267 0.426 1.000 0.400 CB 1.086 Z: 6 4.380 1.541 0.727 0.406 0.800 0.400 CA 1.015 6 residues pruned to eliminate duplicates Z: 36 34.474 2.144 0.595 0.867 0.914 0.686 CB 1.364 36 residues pruned to eliminate duplicates Z: 60 53.971 2.384 0.678 0.657 0.966 0.678 CB 1.571 60 residues pruned to eliminate duplicates Z: 50 48.097 2.311 0.611 0.658 0.959 0.633 CB 1.662 50 residues pruned to eliminate duplicates Z: 15 24.540 2.005 0.783 0.836 1.000 0.643 CB 1.374 15 residues pruned to eliminate duplicates Z: 6 2.151 1.462 0.350 0.297 0.600 0.600 CB 1.019 Z: 19 29.583 1.956 0.633 0.948 1.000 1.000 CB 1.508 19 residues pruned to eliminate duplicates Z: 14 24.055 2.316 0.534 0.825 0.923 0.692 CB 1.536 14 residues pruned to eliminate duplicates Z: 38 57.171 2.367 0.760 0.863 0.973 0.703 CB 1.701 38 residues pruned to eliminate duplicates Z: 73 43.899 2.081 0.883 0.570 0.931 0.569 CB 1.327 62 residues pruned to eliminate duplicates Z: 18 14.407 1.967 0.453 0.466 0.882 0.706 CB 1.435 18 residues pruned to eliminate duplicates Z: 8 9.413 1.889 0.471 0.747 0.857 0.714 CB 1.197 8 residues pruned to eliminate duplicates Z: 12 20.482 2.054 0.880 0.846 0.818 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 8 5.321 1.873 0.434 0.496 1.000 0.857 CB 0.752 Z: 100 52.033 2.138 0.786 0.571 0.889 0.616 CB 1.438 100 residues pruned to eliminate duplicates Z: 14 16.394 1.887 0.752 0.766 0.846 0.692 CB 1.284 14 residues pruned to eliminate duplicates 6 1.615 1.437 0.229 0.354 0.800 0.600 N 0.599 ? Z: 21 35.191 2.236 0.685 0.846 1.000 0.800 CB 1.552 21 residues pruned to eliminate duplicates Z: 19 27.048 1.911 0.728 0.945 1.000 0.944 CB 1.336 19 residues pruned to eliminate duplicates Z: 17 33.968 2.190 1.015 0.869 0.812 0.562 CB 1.730 17 residues pruned to eliminate duplicates Z: 65 45.143 2.079 0.917 0.593 0.969 0.641 CB 1.337 65 residues pruned to eliminate duplicates Z: 6 3.091 1.760 0.720 0.498 0.800 0.600 CB 0.572 Z: 28 22.780 2.198 0.733 0.360 0.852 0.407 CB 1.572 152 residues pruned to eliminate duplicates Z: 16 33.789 2.244 0.661 0.917 1.000 0.867 CA 1.652 16 residues pruned to eliminate duplicates Z: 29 38.410 2.361 0.640 0.659 0.929 0.679 CB 1.741 29 residues pruned to eliminate duplicates Z: 37 29.796 2.014 0.705 0.661 0.917 0.667 CB 1.358 Z: 18 22.279 2.109 0.658 0.504 1.000 0.588 CB 1.539 18 residues pruned to eliminate duplicates Z: 12 26.394 2.059 0.998 0.816 1.000 0.818 CB 1.469 16 residues pruned to eliminate duplicates Z: 28 28.043 2.229 0.664 0.507 0.926 0.556 CB 1.561 28 residues pruned to eliminate duplicates Z: 18 11.774 1.863 0.538 0.475 0.824 0.529 CB 1.241 18 residues pruned to eliminate duplicates Z: 37 30.193 2.121 0.369 0.854 0.917 0.778 CB 1.396 37 residues pruned to eliminate duplicates Z: 9 13.554 2.247 0.150 0.753 0.875 0.750 CB 1.691 9 residues pruned to eliminate duplicates Z: 9 12.651 1.944 0.440 0.877 1.000 0.875 CB 1.161 9 residues pruned to eliminate duplicates Z: 7 5.947 1.447 0.828 0.467 1.000 0.500 CB 0.949 6 residues pruned to eliminate duplicates Z: 6 12.241 1.750 0.758 0.812 1.000 0.600 N 1.355 6 residues pruned to eliminate duplicates Z: 7 7.480 1.707 0.480 0.796 0.667 0.333 CB 1.399 7 residues pruned to eliminate duplicates Z: 6 2.668 1.593 0.121 0.468 0.800 0.600 C 0.863 Z: 7 6.051 1.673 0.938 0.350 0.667 0.500 CA 1.343 7 residues pruned to eliminate duplicates Z: 8 3.304 1.383 0.516 0.339 0.714 0.571 CA 0.994 8 residues pruned to eliminate duplicates Z: 13 4.673 1.809 0.100 0.193 0.833 0.750 CB 1.174 5 residues pruned to eliminate duplicates Z: 6 5.090 1.890 -0.025 0.608 1.000 0.400 CB 1.115 7 residues pruned to eliminate duplicates Z: 10 10.175 2.037 0.687 0.497 0.889 0.556 CB 1.114 Z: 36 38.123 2.345 0.618 0.605 0.914 0.714 CB 1.681 36 residues pruned to eliminate duplicates Z: 8 7.691 1.732 0.593 0.605 0.857 0.571 CB 1.112 Z: 13 10.516 1.790 0.062 0.928 1.000 0.917 CB 1.118 Z: 21 43.363 2.399 1.106 0.878 0.850 0.700 CB 1.639 21 residues pruned to eliminate duplicates Z: 17 28.838 2.416 0.800 0.549 0.875 0.562 CB 1.805 17 residues pruned to eliminate duplicates Z: 15 23.665 2.035 0.682 0.916 0.929 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 14 12.626 1.969 0.818 0.435 0.769 0.538 CB 1.360 14 residues pruned to eliminate duplicates Z: 37 35.609 2.123 0.944 0.557 0.889 0.472 CB 1.530 37 residues pruned to eliminate duplicates Z: 16 22.375 2.049 0.432 0.888 1.000 0.733 CB 1.418 16 residues pruned to eliminate duplicates Z: 17 13.662 1.915 0.413 0.593 0.875 0.812 CB 1.319 17 residues pruned to eliminate duplicates Z: 7 3.213 1.445 0.378 0.426 0.833 0.500 CB 0.854 Z: 13 9.802 1.773 0.859 0.329 0.750 0.333 CB 1.381 13 residues pruned to eliminate duplicates Z: 7 10.610 2.214 0.556 0.639 0.667 0.333 CB 1.657 7 residues pruned to eliminate duplicates Z: 7 6.010 1.652 0.442 0.438 0.833 0.667 CB 1.318 7 residues pruned to eliminate duplicates Z: 31 31.734 2.337 0.583 0.516 0.900 0.600 CB 1.713 31 residues pruned to eliminate duplicates Z: 34 32.735 2.266 0.689 0.540 0.879 0.697 CB 1.629 34 residues pruned to eliminate duplicates Z: 33 30.448 2.099 0.612 0.686 0.938 0.812 CB 1.431 33 residues pruned to eliminate duplicates Z: 18 27.599 2.004 0.573 0.925 1.000 1.000 CB 1.490 18 residues pruned to eliminate duplicates Z: 13 13.398 2.154 0.310 0.448 0.917 0.667 CB 1.578 Z: 15 29.692 2.370 0.926 0.647 0.857 0.571 CB 1.768 15 residues pruned to eliminate duplicates Z: 17 30.301 2.253 0.837 0.813 0.812 0.562 CA 1.716 17 residues pruned to eliminate duplicates Z: 12 24.886 2.351 0.283 0.859 1.000 0.818 CA 1.831 12 residues pruned to eliminate duplicates Z: 17 26.104 1.969 0.600 0.931 0.938 0.875 CB 1.544 17 residues pruned to eliminate duplicates Z: 31 26.195 2.186 0.684 0.508 0.767 0.400 CB 1.680 31 residues pruned to eliminate duplicates Z: 12 15.835 2.005 0.570 0.458 0.909 0.636 CB 1.741 12 residues pruned to eliminate duplicates Z: 31 34.491 2.358 0.940 0.430 0.900 0.433 CB 1.644 31 residues pruned to eliminate duplicates Z: 31 21.852 2.149 0.436 0.550 0.900 0.700 CB 1.368 31 residues pruned to eliminate duplicates Z: 8 5.008 1.654 0.892 0.459 0.714 0.571 CB 0.883 8 residues pruned to eliminate duplicates Z: 23 14.730 1.816 0.493 0.439 1.000 0.682 CB 1.233 24 residues pruned to eliminate duplicates Z: 7 13.268 2.095 0.268 0.774 1.000 0.833 CB 1.601 7 residues pruned to eliminate duplicates Z: 15 14.405 2.049 0.701 0.523 0.857 0.571 CB 1.259 10 residues pruned to eliminate duplicates Z: 13 13.305 2.021 0.461 0.453 0.917 0.667 CB 1.489 13 residues pruned to eliminate duplicates Z: 17 29.333 2.139 1.171 0.642 0.812 0.562 CA 1.702 17 residues pruned to eliminate duplicates Z: 20 28.788 2.110 0.957 0.835 0.947 0.632 CB 1.265 20 residues pruned to eliminate duplicates Z: 20 25.809 2.046 0.663 0.569 1.000 0.684 CB 1.628 20 residues pruned to eliminate duplicates Z: 10 13.065 2.000 0.359 0.818 0.889 0.778 CA 1.367 9 residues pruned to eliminate duplicates Z: 12 13.228 1.859 0.476 0.623 0.909 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 19 23.279 2.195 0.379 0.839 0.944 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 13 21.050 2.169 0.556 0.727 1.000 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 9 5.567 1.660 0.491 0.553 0.750 0.625 CB 1.007 Z: 17 14.585 1.872 0.678 0.579 0.938 0.625 CB 1.147 Z: 18 16.218 2.088 0.740 0.356 0.765 0.353 CA 1.653 18 residues pruned to eliminate duplicates Z: 18 14.304 1.756 0.599 0.652 0.882 0.706 CB 1.216 18 residues pruned to eliminate duplicates Z: 14 20.913 2.126 0.674 0.501 1.000 0.846 CA 1.629 14 residues pruned to eliminate duplicates Z: 11 13.348 1.846 0.385 0.813 1.000 0.900 CB 1.257 11 residues pruned to eliminate duplicates Z: 15 27.237 2.289 0.445 0.927 1.000 1.000 CB 1.543 15 residues pruned to eliminate duplicates Z: 10 10.954 1.790 0.537 0.737 0.889 0.444 CB 1.207 10 residues pruned to eliminate duplicates Z: 7 2.258 1.607 -0.254 0.506 1.000 0.667 CB 0.764 Z: 13 17.470 1.969 0.424 0.916 0.917 0.750 CB 1.386 14 residues pruned to eliminate duplicates Z: 12 15.081 1.920 0.657 0.659 0.909 0.636 CB 1.356 13 residues pruned to eliminate duplicates Z: 17 20.870 2.150 0.792 0.539 0.938 0.625 CB 1.390 17 residues pruned to eliminate duplicates Z: 7 9.152 1.996 0.629 0.504 0.667 0.333 N 1.717 7 residues pruned to eliminate duplicates Z: 27 28.625 2.008 0.919 0.635 0.923 0.500 CB 1.391 Z: 17 26.426 2.124 0.409 0.943 1.000 0.938 CB 1.530 17 residues pruned to eliminate duplicates Z: 15 13.957 1.831 0.222 0.893 1.000 0.857 CB 1.197 13 residues pruned to eliminate duplicates Z: 44 43.868 2.233 0.803 0.703 0.884 0.581 CB 1.563 44 residues pruned to eliminate duplicates Z: 21 37.530 2.242 0.676 0.916 1.000 0.700 CB 1.577 21 residues pruned to eliminate duplicates Z: 7 3.011 1.566 -0.363 0.358 1.000 0.333 CB 1.438 Z: 15 13.515 1.837 0.315 0.886 1.000 0.857 CB 1.079 15 residues pruned to eliminate duplicates Z: 6 7.352 1.811 0.546 0.617 1.000 0.600 CB 1.052 Z: 30 38.113 2.365 0.724 0.565 0.862 0.690 CA 1.891 35 residues pruned to eliminate duplicates Z: 88 51.169 2.176 0.788 0.533 0.920 0.471 CB 1.485 88 residues pruned to eliminate duplicates Z: 28 15.237 1.964 0.588 0.447 0.852 0.630 CB 1.165 28 residues pruned to eliminate duplicates Z: 38 33.486 2.263 0.735 0.519 0.892 0.595 CB 1.543 38 residues pruned to eliminate duplicates Z: 13 13.622 1.922 0.108 0.924 1.000 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 22 31.401 2.307 0.895 0.638 0.905 0.619 CB 1.522 22 residues pruned to eliminate duplicates Z: 6 5.836 1.473 0.877 0.553 1.000 0.800 CB 0.897 Z: 12 24.063 2.184 0.851 0.568 1.000 0.818 CB 1.681 22 residues pruned to eliminate duplicates Z: 9 10.702 1.895 0.256 0.834 0.875 0.625 CB 1.362 9 residues pruned to eliminate duplicates Z: 17 12.841 1.705 0.305 0.907 0.938 0.750 CB 1.094 17 residues pruned to eliminate duplicates Z: 7 2.176 1.190 0.494 0.332 0.833 0.333 CB 0.721 7 residues pruned to eliminate duplicates Z: 40 25.844 1.941 0.516 0.602 0.949 0.718 CB 1.345 38 residues pruned to eliminate duplicates Z: 7 6.549 1.621 0.414 0.511 1.000 0.500 CB 1.154 Z: 7 4.148 1.541 0.063 0.665 0.833 0.833 N 1.065 Z: 6 24.149 2.608 0.895 0.694 1.000 1.000 CB 1.830 6 residues pruned to eliminate duplicates Z: 38 23.654 1.935 0.874 0.502 0.811 0.514 CB 1.321 36 residues pruned to eliminate duplicates Z: 6 4.243 1.618 0.050 0.754 0.800 0.600 CA 1.113 6 residues pruned to eliminate duplicates Z: 25 20.469 1.896 0.726 0.508 0.958 0.458 CB 1.322 25 residues pruned to eliminate duplicates Z: 22 22.967 2.002 0.795 0.642 0.905 0.381 CB 1.350 22 residues pruned to eliminate duplicates Z: 18 27.189 2.051 0.579 0.909 0.941 0.824 CB 1.535 18 residues pruned to eliminate duplicates Z: 11 11.262 2.074 0.349 0.377 1.000 0.400 CB 1.451 11 residues pruned to eliminate duplicates Z: 31 31.383 2.272 0.546 0.628 0.900 0.633 CB 1.607 31 residues pruned to eliminate duplicates Z: 36 34.158 2.300 0.737 0.456 0.914 0.629 CB 1.653 36 residues pruned to eliminate duplicates Z: 15 21.099 2.135 0.584 0.849 1.000 0.786 CB 1.237 15 residues pruned to eliminate duplicates Z: 11 16.219 2.146 0.677 0.900 0.900 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 14 18.656 2.208 0.608 0.737 0.769 0.615 CB 1.532 14 residues pruned to eliminate duplicates Z: 99 51.814 2.165 0.787 0.554 0.888 0.612 CB 1.446 99 residues pruned to eliminate duplicates Z: 13 24.656 2.110 0.676 0.769 0.917 0.583 CB 1.731 13 residues pruned to eliminate duplicates Z: 15 28.588 2.389 0.663 0.844 0.929 0.714 CB 1.540 15 residues pruned to eliminate duplicates Z: 13 15.223 1.900 0.374 0.635 1.000 0.917 CA 1.482 12 residues pruned to eliminate duplicates Z: 18 14.733 2.261 0.531 0.452 0.765 0.588 CB 1.417 19 residues pruned to eliminate duplicates Z: 7 5.179 1.705 0.425 0.388 0.833 0.667 N 1.176 Z: 20 30.269 2.215 0.843 0.799 0.947 0.579 CB 1.383 20 residues pruned to eliminate duplicates Z: 13 10.608 1.809 0.433 0.434 0.917 0.583 CB 1.379 13 residues pruned to eliminate duplicates Z: 23 10.611 1.930 0.363 0.370 0.727 0.545 CA 1.360 23 residues pruned to eliminate duplicates Z: 13 22.589 1.892 0.905 0.929 1.000 0.583 CB 1.266 13 residues pruned to eliminate duplicates Z: 15 13.124 1.832 0.229 0.891 1.000 0.714 CB 1.120 15 residues pruned to eliminate duplicates Z: 8 12.269 2.004 0.578 0.579 1.000 0.714 CB 1.359 8 residues pruned to eliminate duplicates Z: 32 31.537 2.270 0.873 0.409 0.806 0.355 CB 1.818 32 residues pruned to eliminate duplicates Z: 25 28.850 2.268 0.635 0.652 0.875 0.583 CB 1.576 25 residues pruned to eliminate duplicates Z: 18 28.983 2.317 0.960 0.523 0.941 0.647 CA 1.607 18 residues pruned to eliminate duplicates Z: 15 32.277 2.241 0.826 0.872 0.929 0.714 CA 1.655 15 residues pruned to eliminate duplicates Z: 8 9.601 1.910 0.641 0.291 1.000 0.857 CB 1.464 Z: 13 11.364 1.760 0.347 0.566 1.000 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 17 27.977 2.184 0.975 0.717 0.875 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 12 19.558 2.203 0.793 0.518 0.909 0.636 CB 1.612 12 residues pruned to eliminate duplicates Z: 15 36.298 2.223 0.928 0.851 1.000 0.714 CB 1.676 15 residues pruned to eliminate duplicates Z: 13 18.613 1.903 0.499 0.918 1.000 0.917 CB 1.328 13 residues pruned to eliminate duplicates Z: 43 28.159 1.928 0.819 0.556 0.905 0.619 CB 1.297 43 residues pruned to eliminate duplicates Z: 8 8.359 2.037 0.188 0.418 0.857 0.286 CA 1.660 6 residues pruned to eliminate duplicates Z: 9 12.920 2.207 0.794 0.387 0.875 0.750 CB 1.485 Z: 7 13.077 1.827 0.667 0.829 1.000 0.667 CB 1.318 7 residues pruned to eliminate duplicates Z: 14 20.701 1.936 1.059 0.513 1.000 0.615 CA 1.421 14 residues pruned to eliminate duplicates Z: 14 8.658 1.814 -0.095 0.934 1.000 1.000 CB 1.021 14 residues pruned to eliminate duplicates Z: 74 48.529 2.227 0.766 0.587 0.904 0.589 CB 1.469 74 residues pruned to eliminate duplicates Z: 21 18.913 2.022 0.428 0.630 1.000 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 6 12.697 2.208 0.921 0.663 0.800 0.800 CB 1.439 6 residues pruned to eliminate duplicates Z: 12 15.353 2.039 0.172 0.877 1.000 0.909 CB 1.407 12 residues pruned to eliminate duplicates Z: 15 13.753 1.837 0.309 0.905 1.000 0.786 CB 1.088 15 residues pruned to eliminate duplicates Z: 67 38.271 2.023 0.725 0.563 0.955 0.667 CB 1.331 68 residues pruned to eliminate duplicates Z: 50 28.253 2.089 0.448 0.611 0.918 0.612 CB 1.308 50 residues pruned to eliminate duplicates Z: 41 31.425 2.206 0.566 0.559 0.850 0.600 CB 1.597 41 residues pruned to eliminate duplicates Z: 29 37.440 2.391 0.663 0.541 0.929 0.714 CA 1.842 29 residues pruned to eliminate duplicates Z: 20 25.102 2.383 0.434 0.464 0.947 0.421 CB 1.845 20 residues pruned to eliminate duplicates Z: 15 28.223 2.129 0.571 0.935 1.000 0.929 CB 1.572 15 residues pruned to eliminate duplicates Z: 6 5.716 2.089 0.720 0.443 0.600 0.400 CB 1.257 6 residues pruned to eliminate duplicates Z: 15 18.914 1.787 1.092 0.893 1.000 0.786 CB 0.971 15 residues pruned to eliminate duplicates Z: 37 31.174 2.040 0.919 0.538 0.917 0.472 CB 1.394 30 residues pruned to eliminate duplicates Z: 36 26.755 2.319 0.781 0.358 0.829 0.371 CB 1.540 36 residues pruned to eliminate duplicates Z: 17 22.937 1.975 0.503 0.934 0.938 0.375 CB 1.437 17 residues pruned to eliminate duplicates Z: 12 11.564 1.842 0.517 0.599 0.909 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 20 25.615 2.046 0.799 0.545 1.000 0.684 CB 1.529 20 residues pruned to eliminate duplicates Z: 6 3.755 1.661 -0.083 0.541 0.800 0.600 O 1.323 Z: 13 7.609 1.853 0.209 0.446 0.833 0.417 CB 1.243 Z: 39 34.798 2.218 0.688 0.522 0.921 0.684 CB 1.602 33 residues pruned to eliminate duplicates Z: 7 7.034 1.731 0.331 0.863 1.000 0.667 CB 0.914 7 residues pruned to eliminate duplicates Z: 14 9.440 1.792 0.652 0.362 0.769 0.538 CB 1.334 14 residues pruned to eliminate duplicates Z: 7 6.699 1.797 0.289 0.515 1.000 0.667 CB 1.164 Z: 13 23.955 2.196 0.676 0.893 0.917 0.833 CA 1.472 13 residues pruned to eliminate duplicates Z: 16 27.660 2.092 0.530 0.915 1.000 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 20 20.762 1.910 0.908 0.529 0.947 0.579 CB 1.341 20 residues pruned to eliminate duplicates Z: 34 36.916 2.184 0.652 0.853 0.909 0.697 CB 1.448 34 residues pruned to eliminate duplicates Z: 27 18.992 1.723 0.698 0.534 0.962 0.731 CB 1.281 26 residues pruned to eliminate duplicates Z: 12 15.581 1.907 0.868 0.511 0.909 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 11 4.587 1.427 0.789 0.452 0.800 0.600 CB 0.746 Z: 17 10.924 1.719 0.663 0.468 0.875 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 8 7.593 1.858 0.450 0.507 0.714 0.571 CA 1.480 8 residues pruned to eliminate duplicates Z: 12 22.798 2.114 0.836 0.784 0.909 0.636 CB 1.516 12 residues pruned to eliminate duplicates Z: 90 45.190 2.128 0.794 0.509 0.854 0.483 CB 1.457 90 residues pruned to eliminate duplicates Z: 14 12.368 1.877 0.478 0.911 0.923 0.692 CB 0.949 14 residues pruned to eliminate duplicates Z: 16 26.408 2.061 0.602 0.935 0.933 0.400 CB 1.541 16 residues pruned to eliminate duplicates Z: 13 26.039 2.033 0.968 0.836 0.917 0.583 CB 1.534 13 residues pruned to eliminate duplicates Z: 13 13.521 2.015 0.863 0.442 0.833 0.583 CB 1.324 13 residues pruned to eliminate duplicates Z: 6 2.132 1.542 -0.118 0.692 0.800 0.600 CB 0.735 Z: 35 34.615 2.173 0.619 0.868 0.912 0.824 CB 1.353 35 residues pruned to eliminate duplicates Z: 11 12.427 2.004 0.514 0.612 0.900 0.600 CB 1.294 11 residues pruned to eliminate duplicates Z: 20 22.732 2.073 0.830 0.695 0.947 0.684 CB 1.214 20 residues pruned to eliminate duplicates Z: 6 2.907 1.759 0.039 0.314 1.000 0.600 CB 0.874 Z: 7 5.651 1.669 0.716 0.702 0.833 0.500 CB 0.805 Z: 65 33.450 2.078 0.716 0.531 0.844 0.562 CB 1.348 65 residues pruned to eliminate duplicates Z: 11 8.273 1.868 0.614 0.495 0.800 0.700 CB 1.090 11 residues pruned to eliminate duplicates Z: 16 20.249 1.975 0.501 0.884 0.933 0.800 CB 1.364 16 residues pruned to eliminate duplicates Z: 15 13.647 1.782 0.303 0.908 0.929 0.857 CB 1.201 15 residues pruned to eliminate duplicates Z: 16 13.262 1.721 0.342 0.915 0.933 0.733 CB 1.122 15 residues pruned to eliminate duplicates Z: 36 26.712 2.028 0.764 0.801 0.829 0.514 CB 1.171 36 residues pruned to eliminate duplicates Z: 15 17.285 2.052 0.565 0.489 1.000 0.786 CA 1.454 15 residues pruned to eliminate duplicates Z: 15 12.240 1.699 0.785 0.586 0.857 0.786 CB 1.158 15 residues pruned to eliminate duplicates Z: 16 11.413 1.739 0.707 0.492 0.867 0.533 CB 1.154 16 residues pruned to eliminate duplicates Z: 36 41.809 2.242 0.860 0.661 0.971 0.600 CB 1.503 36 residues pruned to eliminate duplicates Z: 47 36.274 2.099 0.890 0.487 0.913 0.609 CB 1.496 47 residues pruned to eliminate duplicates Z: 14 13.251 1.747 0.718 0.638 0.923 0.846 CB 1.166 14 residues pruned to eliminate duplicates Z: 61 48.533 2.298 0.838 0.571 0.900 0.617 CB 1.539 61 residues pruned to eliminate duplicates Z: 8 14.887 2.203 0.795 0.415 1.000 0.429 CB 1.556 8 residues pruned to eliminate duplicates Z: 16 27.175 2.356 0.572 0.867 0.867 0.533 CB 1.599 16 residues pruned to eliminate duplicates Z: 9 2.085 1.448 -0.027 0.239 0.625 0.250 CB 1.134 Z: 34 33.972 2.032 0.726 0.646 0.939 0.758 CB 1.565 34 residues pruned to eliminate duplicates Z: 24 21.071 2.042 0.790 0.425 0.870 0.609 CB 1.495 24 residues pruned to eliminate duplicates Z: 14 27.029 2.035 0.833 0.858 1.000 0.846 CB 1.480 14 residues pruned to eliminate duplicates Z: 40 18.599 1.758 0.608 0.498 0.872 0.462 CB 1.211 40 residues pruned to eliminate duplicates Z: 15 35.815 2.206 0.851 0.923 1.000 0.929 CB 1.648 15 residues pruned to eliminate duplicates Z: 34 31.067 2.048 0.953 0.642 0.848 0.606 CB 1.395 34 residues pruned to eliminate duplicates Z: 36 52.190 2.368 0.644 0.853 0.971 0.771 CB 1.724 36 residues pruned to eliminate duplicates Z: 6 11.257 1.980 0.339 0.750 1.000 0.800 O 1.519 6 residues pruned to eliminate duplicates Z: 15 18.562 2.242 0.675 0.472 0.857 0.571 CB 1.585 15 residues pruned to eliminate duplicates Z: 20 14.842 1.899 0.850 0.485 0.842 0.526 CB 1.168 14 residues pruned to eliminate duplicates Z: 11 4.759 1.732 0.480 0.383 0.700 0.600 N 0.950 24 residues pruned to eliminate duplicates Z: 13 17.606 2.178 0.931 0.516 0.833 0.667 CB 1.427 13 residues pruned to eliminate duplicates Z: 35 37.868 2.337 0.740 0.581 0.853 0.618 CA 1.731 35 residues pruned to eliminate duplicates Z: 10 23.471 2.388 0.642 0.881 1.000 1.000 CA 1.445 10 residues pruned to eliminate duplicates Z: 15 27.907 2.121 0.769 0.933 1.000 0.714 CB 1.387 15 residues pruned to eliminate duplicates Z: 19 24.360 1.946 0.467 0.879 1.000 0.722 CA 1.459 19 residues pruned to eliminate duplicates Z: 14 9.607 2.025 0.267 0.288 0.846 0.462 CB 1.558 15 residues pruned to eliminate duplicates Z: 9 8.939 1.846 0.330 0.478 0.875 0.500 CA 1.504 9 residues pruned to eliminate duplicates Z: 10 4.329 1.645 0.198 0.416 0.889 0.556 CB 0.900 9 residues pruned to eliminate duplicates Z: 8 5.199 1.625 0.469 0.342 0.714 0.571 CA 1.369 8 residues pruned to eliminate duplicates Z: 11 11.219 1.764 0.723 0.775 0.700 0.400 CB 1.308 11 residues pruned to eliminate duplicates Z: 47 28.739 2.021 0.667 0.542 0.870 0.522 CB 1.387 52 residues pruned to eliminate duplicates Z: 46 34.503 2.254 0.702 0.501 0.867 0.644 CB 1.545 46 residues pruned to eliminate duplicates 7 1.651 1.348 0.065 0.348 0.833 0.667 CB 0.665 ? Z: 20 18.907 1.880 0.818 0.530 0.947 0.632 CB 1.301 20 residues pruned to eliminate duplicates Z: 10 15.820 2.047 0.368 0.833 1.000 0.778 CB 1.412 10 residues pruned to eliminate duplicates Z: 7 6.543 1.975 0.239 0.470 0.833 0.667 CA 1.349 14 residues pruned to eliminate duplicates Z: 24 16.601 2.042 0.542 0.471 0.870 0.652 CB 1.302 24 residues pruned to eliminate duplicates Z: 33 28.662 2.259 0.710 0.443 0.844 0.656 CB 1.649 33 residues pruned to eliminate duplicates Z: 38 41.176 2.236 0.490 0.838 0.919 0.703 CB 1.653 38 residues pruned to eliminate duplicates 11 1.977 1.691 -0.144 0.277 0.700 0.200 CB 0.795 ? Z: 8 8.677 1.633 0.745 0.711 0.857 0.571 N 1.109 Z: 6 5.281 1.828 0.061 0.691 0.800 0.600 CB 1.278 Z: 8 6.487 1.865 0.325 0.276 1.000 0.857 CB 1.279 8 residues pruned to eliminate duplicates Z: 66 41.653 2.196 0.565 0.596 0.908 0.662 CB 1.511 66 residues pruned to eliminate duplicates Z: 10 15.699 1.679 1.119 0.762 0.889 0.889 CB 1.311 2 residues pruned to eliminate duplicates Z: 22 18.235 2.185 0.244 0.480 0.952 0.619 CB 1.569 22 residues pruned to eliminate duplicates Z: 23 30.614 2.328 0.655 0.622 0.909 0.727 CA 1.661 23 residues pruned to eliminate duplicates Z: 17 23.238 1.964 0.460 0.933 1.000 0.875 CB 1.415 17 residues pruned to eliminate duplicates Z: 21 24.906 2.246 0.384 0.699 0.950 0.750 CB 1.573 21 residues pruned to eliminate duplicates Z: 6 4.856 1.782 0.325 0.610 0.600 0.400 CB 1.381 6 residues pruned to eliminate duplicates Z: 10 32.041 2.505 1.108 0.818 1.000 0.444 CA 1.535 10 residues pruned to eliminate duplicates Z: 26 16.939 1.696 0.680 0.559 0.960 0.720 CB 1.169 26 residues pruned to eliminate duplicates Z: 37 26.870 2.259 0.679 0.345 0.833 0.417 CB 1.677 158 residues pruned to eliminate duplicates Z: 49 24.970 2.041 0.482 0.561 0.854 0.646 CB 1.315 49 residues pruned to eliminate duplicates Z: 17 16.338 1.957 0.766 0.568 0.938 0.500 CB 1.181 17 residues pruned to eliminate duplicates Z: 14 20.820 2.179 0.696 0.473 1.000 0.692 CB 1.606 14 residues pruned to eliminate duplicates Z: 8 6.723 1.957 0.305 0.751 0.857 0.571 CB 0.928 8 residues pruned to eliminate duplicates Z: 25 23.386 2.072 0.625 0.459 0.917 0.542 CB 1.614 31 residues pruned to eliminate duplicates Z: 6 4.504 1.712 0.352 0.641 0.800 0.600 CA 0.954 6 residues pruned to eliminate duplicates Z: 7 3.222 1.368 0.939 0.403 0.500 0.333 O 1.099 Z: 12 19.193 2.016 0.978 0.899 0.909 0.636 CB 1.141 Z: 12 16.737 1.975 0.359 0.907 0.909 0.909 CA 1.470 12 residues pruned to eliminate duplicates Z: 9 11.129 1.736 0.926 0.702 0.875 0.625 CB 1.120 9 residues pruned to eliminate duplicates Z: 9 17.175 1.993 0.771 0.664 1.000 0.750 CB 1.478 9 residues pruned to eliminate duplicates Z: 27 31.106 2.255 0.606 0.611 0.962 0.808 CB 1.577 46 residues pruned to eliminate duplicates Z: 35 41.892 2.251 0.830 0.568 0.941 0.647 CB 1.735 35 residues pruned to eliminate duplicates Z: 15 12.604 1.802 0.189 0.885 1.000 0.857 CB 1.135 15 residues pruned to eliminate duplicates Z: 19 22.142 2.121 0.363 0.836 0.944 0.778 CB 1.431 19 residues pruned to eliminate duplicates Z: 15 14.248 1.823 0.656 0.515 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 35 46.601 2.379 0.615 0.851 0.912 0.794 CB 1.689 35 residues pruned to eliminate duplicates Z: 18 26.120 2.000 0.496 0.919 1.000 1.000 CB 1.492 18 residues pruned to eliminate duplicates Z: 15 21.312 2.135 0.445 0.582 0.929 0.714 CB 1.837 15 residues pruned to eliminate duplicates Z: 10 13.439 1.797 0.777 0.592 0.889 0.889 CB 1.445 10 residues pruned to eliminate duplicates Z: 10 11.429 1.897 0.511 0.583 0.889 0.778 CB 1.382 9 residues pruned to eliminate duplicates Z: 16 12.260 1.686 0.800 0.481 0.933 0.467 CB 1.139 16 residues pruned to eliminate duplicates Z: 22 21.961 2.042 0.565 0.693 0.952 0.810 CB 1.319 22 residues pruned to eliminate duplicates Z: 18 33.131 2.481 0.475 0.688 1.000 0.824 CA 1.849 18 residues pruned to eliminate duplicates Z: 15 16.239 1.811 0.597 0.886 1.000 0.357 CB 1.082 16 residues pruned to eliminate duplicates Z: 7 7.484 1.743 0.163 0.801 1.000 0.500 CA 1.159 Z: 50 48.891 2.344 0.579 0.695 0.959 0.735 CB 1.646 50 residues pruned to eliminate duplicates Z: 20 23.967 2.207 0.853 0.565 0.895 0.526 CB 1.410 Z: 6 2.890 1.488 0.290 0.294 0.800 0.400 N 1.060 Z: 25 23.351 2.055 0.735 0.662 0.833 0.583 CB 1.381 25 residues pruned to eliminate duplicates Z: 30 32.787 2.037 1.037 0.548 1.000 0.483 CB 1.400 30 residues pruned to eliminate duplicates Z: 15 22.070 2.081 0.781 0.496 1.000 0.786 CB 1.598 22 residues pruned to eliminate duplicates 6 1.466 1.522 -0.151 0.449 0.600 0.400 CB 0.890 ? Z: 7 5.533 2.227 -0.026 0.161 1.000 0.333 CA 1.576 7 residues pruned to eliminate duplicates Z: 16 8.213 1.646 0.319 0.418 1.000 0.667 CB 1.064 21 residues pruned to eliminate duplicates Z: 11 8.236 1.547 0.489 0.797 0.900 0.800 N 0.969 Z: 52 51.566 2.343 0.714 0.671 0.961 0.765 CB 1.598 52 residues pruned to eliminate duplicates Z: 18 35.120 2.344 0.973 0.543 0.941 0.647 CB 1.876 18 residues pruned to eliminate duplicates Z: 13 12.687 1.683 0.663 0.579 0.917 0.833 CB 1.323 13 residues pruned to eliminate duplicates Z: 7 3.672 1.382 0.754 0.521 0.833 0.500 CA 0.727 Z: 17 15.606 2.067 0.586 0.288 0.938 0.625 CA 1.611 17 residues pruned to eliminate duplicates Z: 12 16.887 2.150 0.868 0.510 0.818 0.545 CB 1.534 12 residues pruned to eliminate duplicates Z: 8 8.814 2.024 0.445 0.256 1.000 0.429 CA 1.506 8 residues pruned to eliminate duplicates Z: 11 13.216 1.924 0.769 0.453 0.800 0.500 CB 1.610 11 residues pruned to eliminate duplicates Z: 35 19.512 1.833 0.629 0.407 0.824 0.500 CB 1.500 35 residues pruned to eliminate duplicates Z: 6 4.703 1.522 0.399 0.525 1.000 0.400 N 0.965 Z: 15 45.957 2.462 1.087 0.889 1.000 0.786 CB 1.722 15 residues pruned to eliminate duplicates Z: 15 27.453 2.168 0.698 0.916 1.000 0.714 CB 1.408 15 residues pruned to eliminate duplicates Z: 16 22.768 2.385 0.260 0.643 1.000 0.733 CA 1.711 16 residues pruned to eliminate duplicates Z: 17 19.361 2.078 0.650 0.634 0.938 0.688 CB 1.327 17 residues pruned to eliminate duplicates Z: 30 38.759 2.455 0.644 0.507 0.966 0.621 CB 1.833 30 residues pruned to eliminate duplicates Z: 9 5.964 1.752 0.278 0.531 0.875 0.625 CB 1.044 Z: 6 2.879 1.257 0.418 0.735 0.600 0.600 N 0.975 Z: 47 29.628 2.037 0.767 0.498 0.826 0.609 CB 1.472 47 residues pruned to eliminate duplicates Z: 6 6.708 1.909 0.640 0.803 0.600 0.600 CA 1.225 Z: 16 36.986 2.347 0.705 0.831 1.000 0.867 CB 1.793 12 residues pruned to eliminate duplicates Z: 40 48.538 2.286 0.617 0.847 0.949 0.846 CB 1.645 40 residues pruned to eliminate duplicates Z: 46 38.776 2.319 0.769 0.515 0.867 0.711 CB 1.602 78 residues pruned to eliminate duplicates Z: 71 40.124 2.213 0.533 0.550 0.929 0.571 CB 1.449 71 residues pruned to eliminate duplicates Z: 15 35.008 2.428 0.815 0.821 0.929 0.714 CB 1.731 23 residues pruned to eliminate duplicates Z: 18 25.418 1.933 0.592 0.917 1.000 0.706 CB 1.413 18 residues pruned to eliminate duplicates Z: 23 12.556 1.953 0.262 0.670 0.773 0.591 CB 1.201 23 residues pruned to eliminate duplicates Z: 17 5.825 1.563 0.516 0.367 0.938 0.562 CB 0.756 17 residues pruned to eliminate duplicates Z: 6 6.357 1.945 0.432 0.646 0.800 0.800 CB 1.113 Z: 75 56.268 2.255 0.887 0.590 0.946 0.649 CB 1.491 31 residues pruned to eliminate duplicates Z: 14 23.517 1.998 0.592 0.915 1.000 0.923 CB 1.450 14 residues pruned to eliminate duplicates Z: 60 34.901 2.000 0.747 0.583 0.881 0.627 CB 1.363 33 residues pruned to eliminate duplicates Z: 25 19.309 1.902 0.767 0.591 0.875 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 15 44.557 2.370 1.206 0.927 0.929 0.857 CA 1.720 15 residues pruned to eliminate duplicates Z: 8 2.905 1.911 -0.187 0.348 0.857 0.143 CB 0.972 3 residues pruned to eliminate duplicates Z: 8 2.636 1.483 -0.274 0.577 1.000 0.571 CB 0.859 7 residues pruned to eliminate duplicates Z: 21 12.058 1.887 0.343 0.379 0.850 0.550 CB 1.424 21 residues pruned to eliminate duplicates Z: 21 29.304 2.201 0.594 0.793 1.000 0.850 CB 1.445 21 residues pruned to eliminate duplicates Z: 8 12.239 1.651 0.763 0.772 1.000 0.714 CB 1.249 8 residues pruned to eliminate duplicates Z: 15 28.152 2.070 0.842 0.891 0.929 0.643 CB 1.528 15 residues pruned to eliminate duplicates Z: 7 17.990 2.012 1.373 0.574 1.000 0.667 CA 1.433 7 residues pruned to eliminate duplicates Z: 12 7.778 1.946 0.554 0.386 0.818 0.545 CB 1.069 12 residues pruned to eliminate duplicates Z: 31 23.620 1.985 0.768 0.624 0.833 0.600 CB 1.312 31 residues pruned to eliminate duplicates Z: 11 13.510 1.842 0.495 0.892 1.000 0.900 CB 1.115 10 residues pruned to eliminate duplicates Z: 66 50.977 2.299 0.750 0.537 0.938 0.677 CB 1.614 66 residues pruned to eliminate duplicates Z: 61 36.448 2.189 0.863 0.517 0.817 0.533 CB 1.390 61 residues pruned to eliminate duplicates Z: 20 37.449 2.287 0.710 0.895 1.000 0.789 CB 1.575 20 residues pruned to eliminate duplicates Z: 9 16.817 2.303 0.446 0.843 0.875 0.750 CB 1.519 9 residues pruned to eliminate duplicates Z: 15 16.912 1.849 0.961 0.570 0.929 0.571 CB 1.255 14 residues pruned to eliminate duplicates Z: 9 6.765 1.881 -0.290 0.786 1.000 0.875 CB 1.391 11 residues pruned to eliminate duplicates Z: 8 2.593 1.719 0.320 0.233 0.571 0.286 CB 1.031 Z: 15 14.872 1.837 0.456 0.923 1.000 0.857 CB 1.045 15 residues pruned to eliminate duplicates Z: 12 12.198 1.889 0.821 0.513 0.727 0.545 CB 1.451 12 residues pruned to eliminate duplicates Z: 35 47.701 2.286 0.703 0.869 0.912 0.647 CB 1.683 35 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.537 1.396 0.574 0.601 1.000 0.750 O 1.101 6 residues pruned to eliminate duplicates Z: 8 4.171 1.492 0.316 0.350 1.000 0.429 CB 0.945 8 residues pruned to eliminate duplicates Z: 15 20.748 2.136 0.702 0.443 1.000 0.714 CB 1.618 12 residues pruned to eliminate duplicates Z: 6 8.389 1.789 1.552 0.295 0.800 0.400 CA 1.293 6 residues pruned to eliminate duplicates Z: 15 20.354 2.121 0.815 0.423 1.000 0.714 CB 1.530 15 residues pruned to eliminate duplicates Z: 8 13.529 1.821 0.639 0.855 1.000 0.571 CA 1.265 8 residues pruned to eliminate duplicates Z: 19 22.976 1.999 0.856 0.494 1.000 0.611 CB 1.469 22 residues pruned to eliminate duplicates Z: 7 14.981 1.904 0.908 0.853 1.000 0.500 CA 1.244 7 residues pruned to eliminate duplicates Z: 20 22.366 1.944 0.893 0.560 0.947 0.684 CB 1.389 19 residues pruned to eliminate duplicates Z: 8 14.447 1.818 0.798 0.866 1.000 0.714 CA 1.223 8 residues pruned to eliminate duplicates Z: 21 19.666 1.883 0.850 0.476 0.950 0.650 CB 1.361 22 residues pruned to eliminate duplicates Z: 10 17.458 1.974 0.846 0.662 1.000 0.556 CB 1.374 10 residues pruned to eliminate duplicates Z: 20 20.328 1.933 0.796 0.543 0.947 0.579 CB 1.359 20 residues pruned to eliminate duplicates Z: 20 23.458 1.948 0.852 0.556 1.000 0.579 CB 1.412 20 residues pruned to eliminate duplicates Z: 21 30.495 2.100 0.927 0.679 0.850 0.450 CA 1.681 21 residues pruned to eliminate duplicates Z: 21 21.946 1.900 0.855 0.515 1.000 0.600 CB 1.372 21 residues pruned to eliminate duplicates Z: 6 5.097 1.629 0.641 0.335 1.000 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 20 20.006 1.918 0.857 0.476 0.947 0.474 CB 1.394 20 residues pruned to eliminate duplicates Z: 20 21.055 1.930 0.938 0.540 0.895 0.684 CB 1.388 20 residues pruned to eliminate duplicates Z: 17 27.265 2.033 0.664 0.918 0.938 0.688 CB 1.515 17 residues pruned to eliminate duplicates Z: 16 32.128 2.061 0.732 0.929 1.000 0.867 CB 1.626 18 residues pruned to eliminate duplicates Z: 17 27.507 2.047 0.527 0.928 1.000 0.875 CB 1.541 16 residues pruned to eliminate duplicates Z: 16 28.449 2.113 0.481 0.945 1.000 0.933 CB 1.625 16 residues pruned to eliminate duplicates Z: 18 26.880 1.933 0.644 0.902 1.000 0.706 CB 1.463 17 residues pruned to eliminate duplicates Z: 17 28.400 1.991 0.623 0.910 1.000 0.562 CB 1.558 17 residues pruned to eliminate duplicates Z: 17 27.936 2.055 0.746 0.869 0.938 0.562 CB 1.517 17 residues pruned to eliminate duplicates Z: 17 29.225 2.048 0.606 0.932 1.000 0.625 CB 1.551 18 residues pruned to eliminate duplicates Z: 17 29.722 2.041 0.732 0.911 1.000 0.750 CB 1.490 17 residues pruned to eliminate duplicates Z: 16 29.885 2.107 0.634 0.948 1.000 0.667 CB 1.548 16 residues pruned to eliminate duplicates Z: 15 31.976 2.145 0.653 0.942 1.000 0.929 CB 1.672 15 residues pruned to eliminate duplicates Z: 16 30.153 2.051 0.615 0.938 1.000 0.600 CB 1.635 16 residues pruned to eliminate duplicates Z: 16 32.971 2.045 0.769 0.935 1.000 0.600 CB 1.639 16 residues pruned to eliminate duplicates Z: 17 29.424 2.044 0.604 0.923 1.000 0.625 CB 1.577 17 residues pruned to eliminate duplicates Z: 17 18.572 2.212 0.453 0.515 0.938 0.562 CB 1.517 5 residues pruned to eliminate duplicates Z: 6 10.775 2.289 0.345 0.351 1.000 0.800 CA 1.839 8 residues pruned to eliminate duplicates Z: 6 6.393 1.861 1.467 0.288 0.800 0.600 CA 0.987 6 residues pruned to eliminate duplicates Z: 39 45.234 2.392 0.658 0.639 0.921 0.711 CB 1.764 55 residues pruned to eliminate duplicates Z: 21 29.820 2.349 0.702 0.587 0.950 0.700 CB 1.616 21 residues pruned to eliminate duplicates Z: 18 18.513 2.132 0.379 0.466 1.000 0.412 CB 1.581 Z: 6 4.947 1.576 0.711 0.460 1.000 1.000 CB 0.854 6 residues pruned to eliminate duplicates Z: 16 14.269 1.734 0.344 0.896 1.000 0.867 CB 1.132 16 residues pruned to eliminate duplicates Z: 16 12.706 1.725 0.279 0.876 1.000 0.800 CB 1.080 16 residues pruned to eliminate duplicates Z: 16 16.013 1.781 0.414 0.920 1.000 0.933 CB 1.156 16 residues pruned to eliminate duplicates Z: 15 15.835 1.856 0.385 0.929 1.000 0.929 CB 1.153 15 residues pruned to eliminate duplicates Z: 15 16.361 1.832 0.450 0.920 1.000 0.786 CB 1.159 15 residues pruned to eliminate duplicates Z: 16 17.157 1.763 0.655 0.875 1.000 0.667 CB 1.104 16 residues pruned to eliminate duplicates Z: 16 16.983 1.761 0.659 0.875 1.000 0.533 CB 1.092 16 residues pruned to eliminate duplicates Z: 16 17.402 1.756 0.691 0.871 1.000 0.533 CB 1.103 16 residues pruned to eliminate duplicates Z: 16 16.737 1.759 0.669 0.874 1.000 0.600 CB 1.071 16 residues pruned to eliminate duplicates Z: 17 16.222 1.720 0.612 0.866 1.000 0.562 CB 1.071 17 residues pruned to eliminate duplicates Z: 18 15.479 1.657 0.669 0.844 1.000 0.647 CB 1.010 16 residues pruned to eliminate duplicates Z: 10 12.965 1.729 0.882 0.888 0.889 0.333 CB 1.077 11 residues pruned to eliminate duplicates Z: 16 16.830 1.715 0.629 0.925 1.000 0.600 CB 1.091 16 residues pruned to eliminate duplicates Z: 24 17.395 2.175 0.732 0.383 0.826 0.435 CB 1.320 45 residues pruned to eliminate duplicates Z: 22 24.465 2.187 0.734 0.440 0.905 0.429 CA 1.654 22 residues pruned to eliminate duplicates Z: 26 27.094 2.266 0.755 0.419 0.920 0.480 CB 1.612 26 residues pruned to eliminate duplicates Z: 16 27.545 2.319 0.886 0.474 0.933 0.600 CB 1.790 16 residues pruned to eliminate duplicates Z: 22 22.321 2.192 0.663 0.430 0.905 0.524 CB 1.589 21 residues pruned to eliminate duplicates Z: 6 6.464 1.924 0.780 0.355 1.000 0.200 CA 0.988 6 residues pruned to eliminate duplicates Z: 119 64.604 2.243 0.659 0.600 0.932 0.678 CB 1.559 119 residues pruned to eliminate duplicates Z: 133 69.531 2.262 0.730 0.595 0.894 0.652 CB 1.580 133 residues pruned to eliminate duplicates Z: 79 55.616 2.350 0.665 0.609 0.885 0.679 CB 1.640 79 residues pruned to eliminate duplicates Z: 30 40.944 2.369 0.828 0.618 0.897 0.552 CB 1.752 30 residues pruned to eliminate duplicates Z: 59 49.759 2.288 0.630 0.681 0.983 0.672 CB 1.509 59 residues pruned to eliminate duplicates Z: 88 56.602 2.316 0.678 0.561 0.931 0.632 CB 1.580 88 residues pruned to eliminate duplicates Z: 49 51.931 2.370 0.639 0.689 0.979 0.625 CB 1.658 49 residues pruned to eliminate duplicates Z: 40 42.305 2.296 0.765 0.630 0.974 0.718 CB 1.518 40 residues pruned to eliminate duplicates Z: 23 55.000 2.463 1.023 0.755 1.000 0.727 CB 1.875 23 residues pruned to eliminate duplicates Z: 31 40.287 2.388 0.686 0.609 0.933 0.767 CB 1.765 31 residues pruned to eliminate duplicates Z: 21 43.135 2.446 0.621 0.828 1.000 0.850 CB 1.831 21 residues pruned to eliminate duplicates Z: 46 45.122 2.358 0.635 0.544 0.956 0.644 CB 1.750 46 residues pruned to eliminate duplicates Z: 26 42.074 2.377 0.860 0.659 0.920 0.760 CA 1.784 26 residues pruned to eliminate duplicates Z: 32 39.308 2.372 0.696 0.554 0.968 0.645 CB 1.721 32 residues pruned to eliminate duplicates Z: 49 57.418 2.405 0.769 0.685 0.979 0.708 CB 1.678 49 residues pruned to eliminate duplicates Z: 28 35.695 2.312 0.768 0.603 0.889 0.667 CA 1.714 28 residues pruned to eliminate duplicates Z: 33 38.806 2.354 0.727 0.550 0.938 0.594 CB 1.714 33 residues pruned to eliminate duplicates Z: 34 37.522 2.283 0.779 0.534 0.909 0.545 CB 1.710 34 residues pruned to eliminate duplicates Z: 30 43.050 2.410 0.796 0.596 0.931 0.621 CB 1.811 30 residues pruned to eliminate duplicates Z: 23 50.992 2.485 0.887 0.756 1.000 0.818 CB 1.846 23 residues pruned to eliminate duplicates Z: 32 38.239 2.312 0.727 0.566 0.935 0.581 CB 1.725 32 residues pruned to eliminate duplicates Z: 23 44.673 2.464 0.748 0.748 0.955 0.727 CB 1.857 23 residues pruned to eliminate duplicates Z: 56 47.555 2.347 0.618 0.603 0.964 0.618 CB 1.589 56 residues pruned to eliminate duplicates Z: 29 40.517 2.394 0.696 0.607 0.964 0.643 CB 1.767 29 residues pruned to eliminate duplicates Z: 36 41.594 2.372 0.663 0.668 0.971 0.743 CB 1.571 36 residues pruned to eliminate duplicates Z: 86 63.368 2.337 0.716 0.637 0.941 0.682 CB 1.602 86 residues pruned to eliminate duplicates Z: 87 61.499 2.320 0.658 0.613 0.965 0.640 CB 1.604 87 residues pruned to eliminate duplicates Z: 70 44.211 2.271 0.646 0.557 0.899 0.551 CB 1.500 70 residues pruned to eliminate duplicates Z: 88 54.025 2.221 0.647 0.600 0.943 0.678 CB 1.527 88 residues pruned to eliminate duplicates Z: 80 58.832 2.367 0.636 0.617 0.937 0.658 CB 1.634 80 residues pruned to eliminate duplicates Z: 86 50.059 2.221 0.564 0.612 0.929 0.635 CB 1.512 86 residues pruned to eliminate duplicates Z: 73 58.026 2.377 0.646 0.665 0.931 0.722 CB 1.612 73 residues pruned to eliminate duplicates Z: 66 38.510 2.247 0.520 0.554 0.923 0.538 CB 1.438 66 residues pruned to eliminate duplicates Z: 53 30.931 2.176 0.590 0.479 0.923 0.558 CB 1.372 53 residues pruned to eliminate duplicates Z: 80 57.659 2.342 0.714 0.537 0.924 0.519 CB 1.686 80 residues pruned to eliminate duplicates Z: 113 69.678 2.288 0.730 0.629 0.946 0.696 CB 1.557 113 residues pruned to eliminate duplicates Z: 56 48.508 2.351 0.591 0.606 0.964 0.618 CB 1.641 56 residues pruned to eliminate duplicates Z: 90 62.571 2.351 0.657 0.595 0.933 0.629 CB 1.667 90 residues pruned to eliminate duplicates Z: 108 66.567 2.280 0.676 0.640 0.935 0.607 CB 1.580 108 residues pruned to eliminate duplicates Z: 87 60.972 2.345 0.627 0.613 0.953 0.674 CB 1.624 87 residues pruned to eliminate duplicates Z: 30 32.415 2.279 0.767 0.589 0.931 0.655 CB 1.474 30 residues pruned to eliminate duplicates Z: 86 60.381 2.354 0.631 0.624 0.941 0.659 CB 1.612 86 residues pruned to eliminate duplicates Z: 73 59.226 2.392 0.559 0.676 0.972 0.653 CB 1.637 73 residues pruned to eliminate duplicates Z: 50 48.966 2.396 0.630 0.668 0.959 0.714 CB 1.599 50 residues pruned to eliminate duplicates Z: 54 42.096 2.330 0.592 0.625 0.906 0.604 CB 1.530 54 residues pruned to eliminate duplicates Z: 78 49.027 2.286 0.683 0.560 0.909 0.636 CB 1.507 78 residues pruned to eliminate duplicates Z: 58 50.082 2.322 0.731 0.606 0.965 0.649 CB 1.547 58 residues pruned to eliminate duplicates Z: 57 45.405 2.329 0.655 0.640 0.911 0.589 CB 1.516 57 residues pruned to eliminate duplicates Z: 73 58.832 2.377 0.629 0.668 0.944 0.722 CB 1.624 73 residues pruned to eliminate duplicates Z: 82 55.413 2.356 0.563 0.611 0.951 0.630 CB 1.582 82 residues pruned to eliminate duplicates Z: 96 59.815 2.317 0.629 0.580 0.937 0.632 CB 1.608 96 residues pruned to eliminate duplicates Z: 87 52.215 2.232 0.624 0.609 0.942 0.628 CB 1.487 87 residues pruned to eliminate duplicates Z: 94 57.867 2.317 0.620 0.592 0.914 0.581 CB 1.602 94 residues pruned to eliminate duplicates Z: 81 55.495 2.354 0.555 0.618 0.950 0.650 CB 1.596 81 residues pruned to eliminate duplicates Z: 113 64.905 2.273 0.693 0.606 0.929 0.652 CB 1.551 113 residues pruned to eliminate duplicates Z: 80 59.317 2.360 0.602 0.634 0.962 0.620 CB 1.618 80 residues pruned to eliminate duplicates Z: 52 41.538 2.330 0.592 0.626 0.902 0.647 CB 1.545 52 residues pruned to eliminate duplicates Z: 84 56.335 2.303 0.672 0.596 0.940 0.614 CB 1.560 84 residues pruned to eliminate duplicates Z: 64 48.953 2.316 0.677 0.647 0.889 0.635 CB 1.558 64 residues pruned to eliminate duplicates Z: 68 37.309 2.124 0.659 0.551 0.836 0.612 CB 1.472 68 residues pruned to eliminate duplicates Z: 94 57.582 2.316 0.575 0.589 0.935 0.634 CB 1.607 94 residues pruned to eliminate duplicates Z: 25 29.893 2.353 0.546 0.658 0.917 0.667 CB 1.580 25 residues pruned to eliminate duplicates Z: 111 67.433 2.255 0.693 0.637 0.945 0.691 CB 1.567 111 residues pruned to eliminate duplicates Z: 111 62.095 2.235 0.690 0.613 0.936 0.618 CB 1.503 111 residues pruned to eliminate duplicates Z: 72 59.068 2.376 0.662 0.672 0.930 0.648 CB 1.630 72 residues pruned to eliminate duplicates Z: 68 47.541 2.289 0.661 0.558 0.940 0.642 CB 1.535 68 residues pruned to eliminate duplicates Z: 60 52.627 2.348 0.642 0.662 0.983 0.712 CB 1.556 60 residues pruned to eliminate duplicates Z: 80 58.231 2.344 0.722 0.597 0.924 0.608 CB 1.601 80 residues pruned to eliminate duplicates Z: 105 63.503 2.260 0.660 0.651 0.933 0.663 CB 1.546 105 residues pruned to eliminate duplicates Z: 81 59.090 2.367 0.632 0.624 0.950 0.650 CB 1.602 81 residues pruned to eliminate duplicates Z: 21 30.615 2.217 0.817 0.679 0.950 0.650 CB 1.518 21 residues pruned to eliminate duplicates Z: 38 38.384 2.292 0.764 0.560 0.919 0.541 CB 1.602 38 residues pruned to eliminate duplicates Z: 82 58.887 2.332 0.683 0.612 0.938 0.642 CB 1.597 82 residues pruned to eliminate duplicates Z: 80 64.779 2.383 0.785 0.615 0.949 0.633 CB 1.618 80 residues pruned to eliminate duplicates Z: 74 58.815 2.334 0.827 0.602 0.932 0.644 CB 1.573 74 residues pruned to eliminate duplicates Z: 34 37.559 2.209 0.845 0.567 0.939 0.636 CB 1.601 34 residues pruned to eliminate duplicates Z: 108 67.772 2.240 0.829 0.627 0.935 0.673 CB 1.519 108 residues pruned to eliminate duplicates Z: 18 15.708 2.047 0.783 0.383 0.824 0.529 CB 1.435 18 residues pruned to eliminate duplicates Z: 19 18.924 2.062 0.749 0.429 0.889 0.500 CB 1.498 19 residues pruned to eliminate duplicates Z: 19 21.618 2.028 1.112 0.466 0.833 0.611 CB 1.478 19 residues pruned to eliminate duplicates Z: 115 71.408 2.258 0.811 0.613 0.939 0.640 CB 1.566 115 residues pruned to eliminate duplicates Z: 58 45.988 2.144 0.815 0.618 0.912 0.614 CB 1.535 58 residues pruned to eliminate duplicates Z: 83 60.420 2.296 0.731 0.610 0.951 0.610 CB 1.590 83 residues pruned to eliminate duplicates Z: 103 64.105 2.234 0.788 0.629 0.912 0.716 CB 1.543 103 residues pruned to eliminate duplicates Z: 66 51.024 2.235 0.809 0.557 0.923 0.600 CB 1.603 66 residues pruned to eliminate duplicates Z: 21 13.955 1.951 0.742 0.349 0.750 0.350 CB 1.441 21 residues pruned to eliminate duplicates Z: 36 32.211 2.058 0.836 0.606 0.886 0.543 CB 1.471 36 residues pruned to eliminate duplicates Z: 83 59.350 2.305 0.757 0.608 0.939 0.610 CB 1.556 83 residues pruned to eliminate duplicates Z: 38 35.200 2.115 0.841 0.625 0.892 0.649 CB 1.482 38 residues pruned to eliminate duplicates Z: 22 25.450 1.986 0.755 0.732 0.905 0.524 CB 1.429 22 residues pruned to eliminate duplicates Z: 112 65.532 2.242 0.779 0.592 0.937 0.604 CB 1.524 112 residues pruned to eliminate duplicates Z: 36 34.719 2.046 0.969 0.638 0.857 0.629 CB 1.494 36 residues pruned to eliminate duplicates Z: 67 46.043 2.215 0.788 0.548 0.894 0.621 CB 1.527 67 residues pruned to eliminate duplicates Z: 32 30.739 2.088 0.686 0.639 0.871 0.645 CB 1.582 32 residues pruned to eliminate duplicates Z: 39 31.885 2.049 0.782 0.595 0.868 0.579 CB 1.490 39 residues pruned to eliminate duplicates Z: 60 43.784 2.142 0.841 0.586 0.864 0.576 CB 1.540 60 residues pruned to eliminate duplicates Z: 31 37.209 2.110 1.010 0.672 0.933 0.600 CB 1.464 31 residues pruned to eliminate duplicates Z: 33 27.501 1.979 0.709 0.587 0.938 0.531 CB 1.411 33 residues pruned to eliminate duplicates Z: 22 24.242 1.942 0.770 0.720 0.905 0.571 CB 1.394 22 residues pruned to eliminate duplicates Z: 19 27.590 1.971 1.056 0.772 0.889 0.556 CB 1.419 19 residues pruned to eliminate duplicates Z: 33 40.096 2.120 1.078 0.705 0.906 0.469 CB 1.474 33 residues pruned to eliminate duplicates Z: 32 25.539 1.936 0.919 0.580 0.903 0.323 CB 1.266 32 residues pruned to eliminate duplicates Z: 33 38.385 2.103 1.033 0.693 0.906 0.562 CB 1.468 33 residues pruned to eliminate duplicates Z: 28 26.728 1.872 1.027 0.593 0.889 0.519 CB 1.395 28 residues pruned to eliminate duplicates Z: 21 8.036 1.580 0.518 0.399 0.650 0.200 CB 1.283 21 residues pruned to eliminate duplicates Z: 8 3.891 1.539 0.429 0.227 0.857 0.286 CB 1.074 8 residues pruned to eliminate duplicates Z: 7 4.266 1.666 0.486 0.454 0.833 0.333 CB 0.885 7 residues pruned to eliminate duplicates Z: 54 42.798 2.209 0.815 0.553 0.868 0.472 CB 1.604 54 residues pruned to eliminate duplicates Z: 25 33.464 2.318 0.844 0.540 0.917 0.542 CB 1.676 25 residues pruned to eliminate duplicates Z: 24 41.707 2.411 0.830 0.568 1.000 0.478 CB 1.845 24 residues pruned to eliminate duplicates Z: 31 43.888 2.432 1.006 0.538 0.967 0.600 CB 1.637 31 residues pruned to eliminate duplicates Z: 10 12.301 1.905 0.644 0.438 0.889 0.667 CB 1.570 10 residues pruned to eliminate duplicates Z: 30 36.237 2.404 0.846 0.499 0.862 0.448 CB 1.761 30 residues pruned to eliminate duplicates Z: 30 42.178 2.402 0.963 0.527 0.931 0.517 CA 1.737 30 residues pruned to eliminate duplicates Z: 29 35.590 2.466 0.769 0.523 0.893 0.643 CB 1.688 29 residues pruned to eliminate duplicates Z: 29 33.724 2.461 0.857 0.464 0.857 0.607 CB 1.688 29 residues pruned to eliminate duplicates Z: 29 38.183 2.465 0.862 0.464 0.929 0.679 CB 1.756 29 residues pruned to eliminate duplicates Z: 32 38.385 2.358 1.027 0.478 0.903 0.516 CB 1.633 32 residues pruned to eliminate duplicates Z: 29 32.435 2.405 0.786 0.453 0.929 0.536 CB 1.613 29 residues pruned to eliminate duplicates Z: 33 32.437 2.307 0.774 0.428 0.875 0.438 CB 1.725 33 residues pruned to eliminate duplicates Z: 20 48.129 2.530 1.112 0.654 0.947 0.737 CB 1.890 20 residues pruned to eliminate duplicates Z: 30 37.648 2.431 0.816 0.493 0.931 0.621 CB 1.713 30 residues pruned to eliminate duplicates Z: 30 40.753 2.472 0.792 0.551 0.931 0.414 CB 1.746 30 residues pruned to eliminate duplicates Z: 40 38.479 2.348 0.821 0.487 0.897 0.615 CB 1.628 40 residues pruned to eliminate duplicates Z: 28 35.171 2.436 0.873 0.461 0.926 0.556 CB 1.666 28 residues pruned to eliminate duplicates Z: 34 33.710 2.321 0.822 0.495 0.879 0.515 CB 1.588 34 residues pruned to eliminate duplicates Z: 21 41.727 2.474 0.935 0.590 1.000 0.400 CB 1.788 21 residues pruned to eliminate duplicates Z: 24 24.819 2.302 0.772 0.525 0.826 0.522 CB 1.499 24 residues pruned to eliminate duplicates Z: 20 34.929 2.450 1.146 0.545 0.895 0.368 CB 1.631 20 residues pruned to eliminate duplicates Z: 31 26.986 2.316 0.759 0.409 0.933 0.500 CB 1.426 31 residues pruned to eliminate duplicates Z: 33 39.502 2.355 0.996 0.485 0.938 0.594 CB 1.609 33 residues pruned to eliminate duplicates Z: 33 47.097 2.375 0.958 0.563 1.000 0.656 CB 1.685 33 residues pruned to eliminate duplicates Z: 32 39.607 2.410 0.801 0.493 0.935 0.548 CB 1.766 32 residues pruned to eliminate duplicates Z: 35 37.875 2.356 0.862 0.491 0.912 0.676 CB 1.640 35 residues pruned to eliminate duplicates Z: 28 38.482 2.407 1.024 0.457 0.926 0.556 CB 1.716 28 residues pruned to eliminate duplicates Z: 30 31.137 2.426 0.699 0.453 0.862 0.552 CB 1.709 30 residues pruned to eliminate duplicates Z: 64 59.081 2.358 0.803 0.570 0.968 0.651 CB 1.690 65 residues pruned to eliminate duplicates Z: 7 4.515 1.483 0.705 0.429 1.000 0.500 CA 0.785 7 residues pruned to eliminate duplicates Z: 47 36.337 2.245 0.663 0.533 0.913 0.717 CB 1.522 47 residues pruned to eliminate duplicates Z: 65 58.800 2.343 0.760 0.589 0.953 0.766 CB 1.717 64 residues pruned to eliminate duplicates Z: 20 44.145 2.365 1.021 0.728 1.000 0.789 CB 1.725 20 residues pruned to eliminate duplicates Z: 21 34.498 2.283 1.020 0.636 0.900 0.650 CB 1.637 21 residues pruned to eliminate duplicates Z: 37 33.852 2.279 0.624 0.521 0.917 0.611 CB 1.629 37 residues pruned to eliminate duplicates Z: 25 25.341 2.189 0.722 0.535 0.875 0.708 CB 1.515 25 residues pruned to eliminate duplicates Z: 19 41.924 2.354 0.962 0.689 1.000 0.722 CB 1.799 19 residues pruned to eliminate duplicates Z: 32 42.099 2.373 0.656 0.620 0.968 0.774 CB 1.776 32 residues pruned to eliminate duplicates Z: 24 29.863 2.170 0.816 0.557 0.957 0.783 CB 1.563 24 residues pruned to eliminate duplicates Z: 32 47.845 2.351 0.821 0.625 1.000 0.806 CB 1.784 33 residues pruned to eliminate duplicates Z: 16 54.175 2.403 1.197 0.953 1.000 0.800 CB 1.824 16 residues pruned to eliminate duplicates Z: 66 48.368 2.314 0.691 0.532 0.908 0.677 CB 1.636 66 residues pruned to eliminate duplicates Z: 32 43.322 2.344 0.724 0.631 0.968 0.742 CB 1.760 32 residues pruned to eliminate duplicates Z: 84 59.817 2.246 0.818 0.580 0.928 0.578 CB 1.605 84 residues pruned to eliminate duplicates Z: 41 29.120 2.198 0.671 0.495 0.850 0.675 CB 1.483 41 residues pruned to eliminate duplicates Z: 61 50.500 2.386 0.755 0.495 0.917 0.583 CB 1.707 64 residues pruned to eliminate duplicates Z: 17 48.124 2.475 1.192 0.805 0.938 0.688 CB 1.812 17 residues pruned to eliminate duplicates Z: 31 46.395 2.383 0.810 0.615 0.967 0.700 CB 1.822 31 residues pruned to eliminate duplicates Z: 36 39.912 2.321 0.814 0.541 0.914 0.686 CB 1.683 34 residues pruned to eliminate duplicates Z: 6 6.674 2.101 0.062 0.354 1.000 0.600 CA 1.567 Z: 28 32.966 2.236 0.667 0.566 0.926 0.556 CB 1.724 34 residues pruned to eliminate duplicates Z: 15 24.856 2.424 0.518 0.530 0.929 0.643 CB 1.888 14 residues pruned to eliminate duplicates Z: 6 3.851 1.433 0.317 0.374 1.000 0.600 N 1.044 6 residues pruned to eliminate duplicates Z: 66 54.439 2.359 0.821 0.510 0.923 0.646 CB 1.686 66 residues pruned to eliminate duplicates Z: 6 6.022 1.603 0.935 0.361 1.000 0.800 CB 1.009 6 residues pruned to eliminate duplicates Z: 27 32.084 2.394 0.660 0.437 0.923 0.346 CB 1.830 27 residues pruned to eliminate duplicates Z: 26 32.597 2.469 0.808 0.444 0.840 0.440 CB 1.841 26 residues pruned to eliminate duplicates Z: 32 37.025 2.398 0.770 0.425 0.935 0.452 CB 1.811 31 residues pruned to eliminate duplicates Z: 6 5.777 1.776 0.553 0.441 0.800 0.400 N 1.244 6 residues pruned to eliminate duplicates Z: 34 36.036 2.315 0.869 0.401 0.909 0.545 CB 1.770 34 residues pruned to eliminate duplicates Z: 25 28.293 2.343 0.780 0.392 0.833 0.417 CB 1.864 25 residues pruned to eliminate duplicates Z: 31 34.997 2.393 0.742 0.479 0.867 0.500 CB 1.806 31 residues pruned to eliminate duplicates Z: 17 24.104 2.385 0.685 0.352 0.875 0.500 CB 2.011 17 residues pruned to eliminate duplicates Z: 31 36.132 2.439 0.812 0.425 0.900 0.500 CB 1.793 31 residues pruned to eliminate duplicates Z: 21 31.939 2.520 0.724 0.440 0.900 0.300 CA 1.942 21 residues pruned to eliminate duplicates Z: 26 33.719 2.451 0.755 0.469 0.880 0.400 CB 1.838 26 residues pruned to eliminate duplicates Z: 21 31.421 2.399 0.787 0.464 0.950 0.550 CA 1.789 21 residues pruned to eliminate duplicates Z: 25 37.779 2.487 0.921 0.401 0.917 0.333 CB 1.954 25 residues pruned to eliminate duplicates Z: 21 26.012 2.439 0.696 0.357 0.950 0.350 CA 1.726 21 residues pruned to eliminate duplicates Z: 26 41.734 2.473 0.923 0.468 0.960 0.480 CB 1.888 27 residues pruned to eliminate duplicates Z: 6 3.730 1.945 0.638 0.262 0.600 0.400 C 1.146 6 residues pruned to eliminate duplicates Z: 8 18.353 2.291 1.043 0.451 0.857 0.571 CA 1.818 8 residues pruned to eliminate duplicates Z: 8 14.003 2.389 0.951 0.384 0.714 0.143 CA 1.799 8 residues pruned to eliminate duplicates Z: 27 30.420 2.364 0.853 0.383 0.846 0.462 CB 1.822 27 residues pruned to eliminate duplicates Z: 6 23.439 2.523 1.312 0.482 1.000 0.400 CA 1.830 6 residues pruned to eliminate duplicates Z: 37 34.133 2.226 0.799 0.538 0.833 0.556 CB 1.642 37 residues pruned to eliminate duplicates Z: 16 12.221 2.192 0.650 0.220 0.733 0.333 CB 1.652 16 residues pruned to eliminate duplicates Z: 37 32.649 2.251 0.773 0.573 0.806 0.472 CB 1.578 37 residues pruned to eliminate duplicates Z: 56 52.514 2.346 0.859 0.539 0.891 0.545 CB 1.755 55 residues pruned to eliminate duplicates Z: 6 4.563 1.499 0.092 0.458 1.000 0.800 CA 1.302 6 residues pruned to eliminate duplicates Z: 33 32.800 2.226 0.633 0.574 0.906 0.562 CB 1.639 33 residues pruned to eliminate duplicates Z: 30 36.565 2.280 0.673 0.643 0.931 0.655 CB 1.672 30 residues pruned to eliminate duplicates Z: 40 34.307 2.157 0.681 0.625 0.949 0.615 CB 1.419 51 residues pruned to eliminate duplicates Z: 30 34.198 2.298 0.559 0.617 0.931 0.655 CB 1.705 30 residues pruned to eliminate duplicates Z: 23 39.954 2.297 0.777 0.808 1.000 0.818 CB 1.595 23 residues pruned to eliminate duplicates Z: 30 37.055 2.275 0.660 0.622 0.966 0.655 CB 1.682 30 residues pruned to eliminate duplicates Z: 21 40.383 2.283 0.826 0.842 1.000 0.750 CB 1.614 21 residues pruned to eliminate duplicates Z: 45 31.339 2.192 0.481 0.652 0.909 0.591 CB 1.389 45 residues pruned to eliminate duplicates Z: 24 36.132 2.214 0.794 0.802 0.913 0.783 CB 1.596 24 residues pruned to eliminate duplicates Z: 32 34.683 2.198 0.691 0.633 0.903 0.613 CB 1.638 32 residues pruned to eliminate duplicates Z: 31 33.795 2.261 0.617 0.631 0.933 0.600 CB 1.598 31 residues pruned to eliminate duplicates Z: 24 37.184 2.257 0.807 0.797 0.913 0.783 CB 1.605 24 residues pruned to eliminate duplicates Z: 39 30.360 2.174 0.649 0.546 0.816 0.579 CB 1.610 39 residues pruned to eliminate duplicates Z: 24 38.037 2.209 0.684 0.751 1.000 0.696 CB 1.704 24 residues pruned to eliminate duplicates Z: 30 35.273 2.287 0.540 0.636 0.966 0.724 CB 1.695 30 residues pruned to eliminate duplicates Z: 29 35.048 2.304 0.568 0.642 0.929 0.607 CB 1.730 29 residues pruned to eliminate duplicates Z: 44 33.839 2.214 0.485 0.682 0.884 0.651 CB 1.502 44 residues pruned to eliminate duplicates Z: 53 29.228 2.130 0.494 0.593 0.846 0.635 CB 1.377 53 residues pruned to eliminate duplicates Z: 46 33.821 2.188 0.560 0.642 0.889 0.578 CB 1.455 46 residues pruned to eliminate duplicates Z: 21 37.299 2.302 0.611 0.877 1.000 0.800 CB 1.634 21 residues pruned to eliminate duplicates Z: 37 33.939 2.222 0.616 0.573 0.917 0.639 CA 1.602 37 residues pruned to eliminate duplicates Z: 22 36.711 2.311 0.654 0.832 0.952 0.762 CB 1.652 22 residues pruned to eliminate duplicates Z: 20 22.406 2.229 0.440 0.785 0.842 0.684 CB 1.480 20 residues pruned to eliminate duplicates Z: 20 18.000 2.138 0.403 0.646 0.895 0.526 CB 1.343 20 residues pruned to eliminate duplicates Z: 44 35.921 2.210 0.515 0.666 0.907 0.581 CB 1.547 44 residues pruned to eliminate duplicates Z: 44 35.050 2.185 0.401 0.678 0.953 0.674 CB 1.554 44 residues pruned to eliminate duplicates Z: 23 24.332 2.173 0.488 0.727 0.909 0.682 CB 1.438 23 residues pruned to eliminate duplicates Z: 16 17.406 2.118 0.232 0.770 1.000 0.667 CB 1.357 16 residues pruned to eliminate duplicates Z: 45 36.942 2.196 0.578 0.638 0.955 0.636 CB 1.479 45 residues pruned to eliminate duplicates Z: 46 31.813 2.169 0.419 0.625 0.933 0.600 CB 1.467 46 residues pruned to eliminate duplicates Z: 36 38.859 2.225 0.535 0.803 1.000 0.657 CB 1.476 36 residues pruned to eliminate duplicates Z: 70 37.900 2.172 0.613 0.559 0.870 0.565 CB 1.414 70 residues pruned to eliminate duplicates Z: 44 36.917 2.206 0.564 0.624 0.930 0.558 CB 1.561 44 residues pruned to eliminate duplicates Z: 20 26.520 2.218 0.656 0.781 0.895 0.684 CB 1.445 20 residues pruned to eliminate duplicates Z: 36 38.028 2.207 0.563 0.790 0.971 0.686 CB 1.487 36 residues pruned to eliminate duplicates Z: 20 29.984 2.229 0.648 0.769 1.000 0.632 CB 1.476 20 residues pruned to eliminate duplicates Z: 35 32.517 2.160 0.366 0.805 1.000 0.706 CB 1.449 35 residues pruned to eliminate duplicates Z: 67 40.075 2.150 0.513 0.587 0.939 0.652 CB 1.485 67 residues pruned to eliminate duplicates Z: 81 44.149 2.173 0.611 0.573 0.900 0.550 CB 1.460 81 residues pruned to eliminate duplicates Z: 80 51.042 2.208 0.718 0.642 0.924 0.620 CB 1.435 80 residues pruned to eliminate duplicates Z: 80 49.661 2.234 0.718 0.524 0.873 0.519 CB 1.629 81 residues pruned to eliminate duplicates Z: 6 3.035 1.223 0.213 0.460 1.000 0.600 C 0.953 6 residues pruned to eliminate duplicates Z: 14 9.363 2.062 0.515 0.300 0.846 0.385 CB 1.229 14 residues pruned to eliminate duplicates Z: 15 10.827 1.911 0.675 0.365 0.857 0.500 CB 1.220 15 residues pruned to eliminate duplicates Z: 37 23.094 2.119 0.652 0.529 0.889 0.528 CB 1.202 37 residues pruned to eliminate duplicates Z: 44 30.168 2.175 0.729 0.475 0.907 0.628 CB 1.384 44 residues pruned to eliminate duplicates Z: 55 36.171 2.187 0.558 0.585 0.907 0.593 CB 1.467 55 residues pruned to eliminate duplicates Z: 22 16.577 2.083 0.520 0.390 0.905 0.524 CB 1.419 22 residues pruned to eliminate duplicates Z: 70 38.288 2.138 0.579 0.560 0.899 0.609 CB 1.433 70 residues pruned to eliminate duplicates Z: 36 26.294 2.139 0.629 0.540 0.886 0.657 CB 1.385 36 residues pruned to eliminate duplicates Z: 34 29.682 2.167 0.657 0.558 0.970 0.788 CB 1.403 34 residues pruned to eliminate duplicates Z: 112 53.155 2.167 0.558 0.612 0.937 0.649 CB 1.434 112 residues pruned to eliminate duplicates Z: 14 10.801 2.018 0.409 0.373 0.846 0.615 CB 1.427 14 residues pruned to eliminate duplicates Z: 36 29.086 2.202 0.659 0.549 0.914 0.686 CB 1.404 36 residues pruned to eliminate duplicates Z: 72 36.525 2.110 0.512 0.575 0.930 0.690 CB 1.360 72 residues pruned to eliminate duplicates Z: 12 13.454 2.135 0.497 0.442 0.909 0.636 CB 1.482 12 residues pruned to eliminate duplicates Z: 22 17.908 2.124 0.546 0.372 0.905 0.619 CB 1.509 22 residues pruned to eliminate duplicates Z: 24 25.049 2.154 0.678 0.669 0.913 0.652 CB 1.354 24 residues pruned to eliminate duplicates Z: 25 29.583 2.216 0.750 0.662 0.917 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 40 25.068 2.103 0.653 0.512 0.846 0.513 CB 1.348 40 residues pruned to eliminate duplicates Z: 49 33.385 2.124 0.559 0.673 0.917 0.708 CB 1.353 49 residues pruned to eliminate duplicates Z: 60 37.011 2.157 0.652 0.615 0.881 0.695 CB 1.376 60 residues pruned to eliminate duplicates Z: 58 36.649 2.138 0.617 0.641 0.912 0.632 CB 1.348 58 residues pruned to eliminate duplicates Z: 47 41.006 2.200 0.721 0.698 0.913 0.783 CB 1.460 47 residues pruned to eliminate duplicates Z: 20 24.187 2.185 0.645 0.687 0.947 0.684 CB 1.372 20 residues pruned to eliminate duplicates Z: 69 38.475 2.165 0.583 0.575 0.897 0.676 CB 1.412 69 residues pruned to eliminate duplicates Z: 72 48.135 2.179 0.699 0.657 0.958 0.690 CB 1.391 72 residues pruned to eliminate duplicates Z: 60 40.706 2.166 0.674 0.639 0.898 0.661 CB 1.428 60 residues pruned to eliminate duplicates Z: 35 30.261 2.155 0.741 0.566 0.941 0.676 CB 1.379 35 residues pruned to eliminate duplicates Z: 73 45.834 2.187 0.699 0.652 0.889 0.653 CB 1.420 73 residues pruned to eliminate duplicates Z: 26 27.452 2.198 0.933 0.630 0.840 0.640 CB 1.361 26 residues pruned to eliminate duplicates Z: 36 30.626 2.175 0.577 0.623 0.914 0.743 CB 1.469 36 residues pruned to eliminate duplicates Z: 38 28.060 2.205 0.475 0.615 0.865 0.730 CB 1.471 38 residues pruned to eliminate duplicates Z: 70 39.356 2.141 0.646 0.565 0.870 0.696 CB 1.452 70 residues pruned to eliminate duplicates Z: 57 34.645 2.153 0.575 0.612 0.857 0.679 CB 1.432 57 residues pruned to eliminate duplicates Z: 37 36.752 2.201 0.713 0.663 0.917 0.806 CB 1.523 37 residues pruned to eliminate duplicates Z: 39 31.883 2.144 0.672 0.622 0.921 0.763 CB 1.395 39 residues pruned to eliminate duplicates Z: 31 25.899 2.113 0.592 0.657 0.900 0.733 CB 1.349 31 residues pruned to eliminate duplicates Z: 40 30.653 2.166 0.545 0.615 0.897 0.718 CB 1.465 40 residues pruned to eliminate duplicates Z: 75 42.360 2.115 0.745 0.574 0.905 0.568 CB 1.372 75 residues pruned to eliminate duplicates Z: 57 42.890 2.232 0.622 0.604 0.911 0.679 CB 1.574 57 residues pruned to eliminate duplicates Z: 111 50.776 2.142 0.573 0.618 0.909 0.655 CB 1.413 111 residues pruned to eliminate duplicates Z: 40 29.703 2.104 0.611 0.598 0.949 0.718 CB 1.348 40 residues pruned to eliminate duplicates Z: 57 41.499 2.231 0.705 0.580 0.875 0.696 CB 1.543 57 residues pruned to eliminate duplicates Z: 37 31.796 2.195 0.611 0.641 0.889 0.778 CB 1.479 37 residues pruned to eliminate duplicates Z: 33 22.475 2.063 0.423 0.580 0.906 0.688 CB 1.382 33 residues pruned to eliminate duplicates Z: 36 31.986 2.157 0.727 0.616 0.914 0.771 CB 1.423 36 residues pruned to eliminate duplicates Z: 57 48.548 2.191 0.943 0.683 0.911 0.696 CB 1.415 57 residues pruned to eliminate duplicates Z: 23 25.674 2.058 0.537 0.743 0.955 0.818 CB 1.458 23 residues pruned to eliminate duplicates Z: 23 20.544 2.032 0.416 0.706 0.909 0.818 CA 1.388 23 residues pruned to eliminate duplicates Z: 22 24.508 2.124 0.417 0.737 0.952 0.762 CB 1.508 22 residues pruned to eliminate duplicates Z: 33 34.025 2.130 0.875 0.683 0.875 0.781 CB 1.454 33 residues pruned to eliminate duplicates Z: 40 29.813 2.115 0.654 0.616 0.846 0.667 CB 1.446 40 residues pruned to eliminate duplicates Z: 36 30.867 2.114 0.742 0.635 0.857 0.686 CB 1.457 36 residues pruned to eliminate duplicates Z: 90 46.312 2.132 0.725 0.620 0.899 0.663 CB 1.326 90 residues pruned to eliminate duplicates Z: 24 22.173 2.066 0.536 0.706 0.870 0.696 CB 1.389 24 residues pruned to eliminate duplicates Z: 28 19.096 1.940 0.453 0.634 0.926 0.630 CB 1.242 34 residues pruned to eliminate duplicates Z: 23 29.527 2.058 0.826 0.752 0.955 0.773 CB 1.402 23 residues pruned to eliminate duplicates Z: 22 23.702 2.122 0.677 0.741 0.857 0.810 CB 1.366 22 residues pruned to eliminate duplicates Z: 28 23.789 1.923 0.853 0.598 0.889 0.667 CB 1.316 28 residues pruned to eliminate duplicates Z: 24 26.324 2.073 0.923 0.668 0.870 0.609 CB 1.355 24 residues pruned to eliminate duplicates Z: 33 23.071 1.997 0.746 0.583 0.844 0.406 CB 1.280 33 residues pruned to eliminate duplicates Z: 25 26.655 2.036 0.918 0.657 0.875 0.500 CB 1.376 25 residues pruned to eliminate duplicates Z: 70 49.430 2.232 0.863 0.575 0.884 0.594 CB 1.507 70 residues pruned to eliminate duplicates Z: 42 32.961 2.052 0.919 0.559 0.878 0.488 CB 1.405 42 residues pruned to eliminate duplicates Z: 51 44.390 2.249 0.731 0.618 0.920 0.600 CB 1.567 51 residues pruned to eliminate duplicates Z: 83 60.580 2.249 0.885 0.624 0.939 0.610 CB 1.495 83 residues pruned to eliminate duplicates Z: 44 42.975 2.242 0.898 0.617 0.907 0.581 CB 1.520 44 residues pruned to eliminate duplicates Z: 24 37.190 2.436 0.774 0.561 0.957 0.652 CA 1.768 24 residues pruned to eliminate duplicates Z: 86 62.258 2.318 0.690 0.621 0.918 0.624 CB 1.675 86 residues pruned to eliminate duplicates Z: 67 55.666 2.288 0.875 0.607 0.924 0.621 CB 1.562 67 residues pruned to eliminate duplicates Z: 20 41.228 2.482 0.819 0.573 1.000 0.632 CB 1.952 20 residues pruned to eliminate duplicates Z: 30 35.965 2.426 0.685 0.439 0.897 0.552 CA 1.941 30 residues pruned to eliminate duplicates Z: 68 49.545 2.242 0.832 0.561 0.881 0.582 CB 1.577 68 residues pruned to eliminate duplicates Z: 99 59.605 2.278 0.700 0.597 0.898 0.612 CB 1.578 99 residues pruned to eliminate duplicates Z: 19 29.304 2.443 0.637 0.562 0.944 0.556 CA 1.721 19 residues pruned to eliminate duplicates Z: 28 39.615 2.483 0.763 0.502 0.889 0.630 CB 1.955 28 residues pruned to eliminate duplicates Z: 30 34.653 2.419 0.594 0.509 0.862 0.690 CA 1.920 30 residues pruned to eliminate duplicates Z: 45 48.676 2.262 0.859 0.674 0.955 0.659 CB 1.558 45 residues pruned to eliminate duplicates Z: 26 42.726 2.521 0.819 0.534 0.960 0.600 CA 1.876 26 residues pruned to eliminate duplicates Z: 60 39.626 2.214 0.634 0.582 0.847 0.644 CB 1.556 60 residues pruned to eliminate duplicates Z: 37 36.970 2.310 0.738 0.499 0.861 0.528 CB 1.784 37 residues pruned to eliminate duplicates Z: 27 38.901 2.501 0.707 0.510 0.923 0.692 CA 1.916 27 residues pruned to eliminate duplicates Z: 54 47.110 2.229 0.770 0.607 0.925 0.660 CB 1.602 54 residues pruned to eliminate duplicates Z: 28 43.916 2.464 0.809 0.585 0.926 0.778 CB 1.888 28 residues pruned to eliminate duplicates Z: 38 32.915 2.296 0.727 0.479 0.865 0.649 CB 1.612 38 residues pruned to eliminate duplicates Z: 30 43.335 2.464 0.796 0.536 0.931 0.690 CA 1.885 30 residues pruned to eliminate duplicates Z: 53 49.424 2.410 0.681 0.577 0.904 0.673 CB 1.738 53 residues pruned to eliminate duplicates Z: 32 43.579 2.382 0.873 0.569 0.935 0.645 CA 1.755 32 residues pruned to eliminate duplicates Z: 29 40.076 2.451 0.729 0.514 0.929 0.643 CA 1.898 29 residues pruned to eliminate duplicates Z: 32 38.255 2.328 0.788 0.503 0.935 0.677 CA 1.760 32 residues pruned to eliminate duplicates Z: 27 40.426 2.494 0.793 0.538 0.923 0.654 CB 1.851 27 residues pruned to eliminate duplicates Z: 63 60.008 2.433 0.679 0.581 0.952 0.661 CB 1.814 63 residues pruned to eliminate duplicates Z: 65 58.118 2.379 0.674 0.584 0.922 0.688 CB 1.825 65 residues pruned to eliminate duplicates Z: 56 47.025 2.250 0.858 0.591 0.873 0.564 CB 1.593 56 residues pruned to eliminate duplicates Z: 24 35.548 2.404 0.798 0.679 0.870 0.783 CB 1.673 24 residues pruned to eliminate duplicates Z: 27 17.819 2.021 0.457 0.409 0.885 0.692 CA 1.476 27 residues pruned to eliminate duplicates Z: 37 39.206 2.343 0.708 0.583 0.889 0.722 CB 1.697 37 residues pruned to eliminate duplicates Z: 38 37.765 2.324 0.698 0.569 0.865 0.757 CB 1.702 38 residues pruned to eliminate duplicates Z: 63 55.993 2.401 0.604 0.587 0.952 0.677 CB 1.785 63 residues pruned to eliminate duplicates Z: 86 63.496 2.321 0.709 0.628 0.918 0.694 CB 1.677 86 residues pruned to eliminate duplicates Z: 26 28.726 2.301 0.621 0.672 0.840 0.720 CA 1.565 26 residues pruned to eliminate duplicates Z: 84 69.743 2.355 0.752 0.649 0.952 0.723 CB 1.696 84 residues pruned to eliminate duplicates Z: 30 36.389 2.345 0.819 0.603 0.897 0.724 CB 1.602 30 residues pruned to eliminate duplicates Z: 86 66.316 2.341 0.765 0.624 0.929 0.718 CB 1.666 86 residues pruned to eliminate duplicates Z: 30 42.024 2.415 0.629 0.638 0.966 0.724 CB 1.805 30 residues pruned to eliminate duplicates Z: 37 39.918 2.355 0.723 0.574 0.889 0.750 CB 1.718 37 residues pruned to eliminate duplicates Z: 37 40.766 2.338 0.684 0.599 0.917 0.667 CA 1.714 37 residues pruned to eliminate duplicates Z: 63 56.038 2.379 0.749 0.565 0.919 0.645 CB 1.746 63 residues pruned to eliminate duplicates Z: 30 32.937 2.337 0.603 0.619 0.862 0.621 CB 1.694 30 residues pruned to eliminate duplicates Z: 60 52.191 2.383 0.694 0.558 0.898 0.576 CB 1.771 60 residues pruned to eliminate duplicates Z: 47 31.253 2.239 0.621 0.494 0.783 0.543 CB 1.632 47 residues pruned to eliminate duplicates Z: 36 38.041 2.365 0.538 0.591 0.943 0.714 CB 1.718 36 residues pruned to eliminate duplicates Z: 37 38.034 2.346 0.691 0.574 0.861 0.611 CB 1.729 37 residues pruned to eliminate duplicates Z: 36 43.527 2.392 0.784 0.595 0.914 0.686 CB 1.723 36 residues pruned to eliminate duplicates Z: 49 36.959 2.262 0.813 0.497 0.812 0.646 CB 1.606 49 residues pruned to eliminate duplicates Z: 37 40.674 2.337 0.812 0.579 0.889 0.639 CA 1.669 37 residues pruned to eliminate duplicates Z: 30 44.577 2.411 0.774 0.641 0.966 0.655 CB 1.757 30 residues pruned to eliminate duplicates Z: 30 39.905 2.395 0.695 0.611 0.931 0.655 CB 1.766 30 residues pruned to eliminate duplicates Z: 33 38.849 2.359 0.739 0.586 0.906 0.625 CB 1.701 33 residues pruned to eliminate duplicates Z: 104 62.230 2.315 0.744 0.546 0.893 0.621 CB 1.626 104 residues pruned to eliminate duplicates Z: 37 34.689 2.258 0.566 0.583 0.944 0.722 CB 1.598 37 residues pruned to eliminate duplicates Z: 85 61.750 2.291 0.716 0.610 0.929 0.643 CB 1.663 85 residues pruned to eliminate duplicates Z: 37 42.345 2.340 0.768 0.590 0.944 0.639 CB 1.658 37 residues pruned to eliminate duplicates Z: 48 37.328 2.240 0.769 0.494 0.851 0.574 CB 1.624 48 residues pruned to eliminate duplicates Z: 25 39.155 2.459 0.713 0.659 0.917 0.708 CB 1.786 25 residues pruned to eliminate duplicates Z: 37 37.314 2.334 0.602 0.572 0.917 0.611 CA 1.692 37 residues pruned to eliminate duplicates Z: 35 43.032 2.388 0.800 0.589 0.941 0.676 CB 1.675 35 residues pruned to eliminate duplicates Z: 38 33.695 2.372 0.630 0.482 0.892 0.568 CB 1.637 38 residues pruned to eliminate duplicates Z: 72 54.967 2.299 0.820 0.596 0.915 0.592 CB 1.554 72 residues pruned to eliminate duplicates Z: 99 53.164 2.165 0.774 0.540 0.918 0.602 CB 1.465 99 residues pruned to eliminate duplicates Z: 73 49.663 2.285 0.782 0.560 0.903 0.639 CB 1.502 73 residues pruned to eliminate duplicates Z: 33 29.644 2.242 0.667 0.571 0.844 0.531 CB 1.552 33 residues pruned to eliminate duplicates Z: 46 38.659 2.327 0.719 0.491 0.889 0.533 CB 1.635 46 residues pruned to eliminate duplicates Z: 66 54.005 2.323 0.805 0.593 0.938 0.600 CB 1.557 66 residues pruned to eliminate duplicates Z: 71 50.492 2.265 0.736 0.551 0.957 0.586 CB 1.526 71 residues pruned to eliminate duplicates Z: 77 49.072 2.233 0.713 0.557 0.921 0.645 CB 1.510 77 residues pruned to eliminate duplicates Z: 89 50.527 2.200 0.808 0.529 0.875 0.557 CB 1.504 89 residues pruned to eliminate duplicates Z: 75 53.690 2.271 0.808 0.565 0.932 0.595 CB 1.531 75 residues pruned to eliminate duplicates Z: 81 52.699 2.207 0.811 0.551 0.950 0.588 CB 1.477 81 residues pruned to eliminate duplicates Z: 72 52.606 2.296 0.840 0.567 0.887 0.606 CB 1.560 72 residues pruned to eliminate duplicates Z: 17 32.791 2.167 0.883 0.847 1.000 0.750 CA 1.491 17 residues pruned to eliminate duplicates Z: 82 53.930 2.223 0.827 0.548 0.926 0.630 CB 1.521 90 residues pruned to eliminate duplicates Z: 71 53.142 2.279 0.817 0.576 0.929 0.586 CB 1.535 71 residues pruned to eliminate duplicates Z: 75 52.785 2.243 0.819 0.563 0.932 0.541 CB 1.517 75 residues pruned to eliminate duplicates Z: 73 50.494 2.279 0.846 0.556 0.889 0.611 CB 1.507 73 residues pruned to eliminate duplicates Z: 78 52.691 2.230 0.865 0.563 0.922 0.610 CB 1.473 78 residues pruned to eliminate duplicates Z: 82 54.324 2.234 0.822 0.548 0.926 0.667 CB 1.528 82 residues pruned to eliminate duplicates Z: 84 50.256 2.153 0.843 0.572 0.916 0.518 CB 1.416 84 residues pruned to eliminate duplicates Z: 75 56.436 2.283 0.900 0.573 0.905 0.581 CB 1.557 74 residues pruned to eliminate duplicates Z: 6 8.071 1.935 0.191 0.722 1.000 0.200 CA 1.282 6 residues pruned to eliminate duplicates Z: 83 50.370 2.207 0.781 0.557 0.915 0.598 CB 1.464 83 residues pruned to eliminate duplicates Z: 100 53.944 2.162 0.793 0.556 0.909 0.616 CB 1.456 99 residues pruned to eliminate duplicates Z: 9 9.508 1.923 0.321 0.510 1.000 0.375 CB 1.310 9 residues pruned to eliminate duplicates Z: 98 52.502 2.162 0.700 0.541 0.959 0.619 CB 1.452 98 residues pruned to eliminate duplicates Z: 72 56.458 2.295 0.854 0.601 0.930 0.592 CB 1.538 72 residues pruned to eliminate duplicates Z: 83 53.805 2.225 0.836 0.552 0.915 0.549 CB 1.512 74 residues pruned to eliminate duplicates Z: 6 4.838 1.666 0.437 0.350 0.800 0.800 O 1.329 6 residues pruned to eliminate duplicates Z: 36 31.342 2.278 0.672 0.532 0.857 0.543 CB 1.573 36 residues pruned to eliminate duplicates Z: 101 52.913 2.141 0.790 0.544 0.910 0.600 CB 1.453 101 residues pruned to eliminate duplicates Z: 74 52.067 2.261 0.885 0.582 0.849 0.644 CB 1.556 74 residues pruned to eliminate duplicates Z: 75 52.440 2.250 0.836 0.554 0.905 0.622 CB 1.546 75 residues pruned to eliminate duplicates Z: 75 52.300 2.264 0.828 0.551 0.946 0.635 CB 1.477 75 residues pruned to eliminate duplicates Z: 92 50.937 2.176 0.775 0.553 0.901 0.604 CB 1.457 92 residues pruned to eliminate duplicates Z: 16 31.064 2.305 0.886 0.784 0.867 0.533 CB 1.659 16 residues pruned to eliminate duplicates Z: 71 54.853 2.308 0.854 0.584 0.929 0.629 CB 1.522 71 residues pruned to eliminate duplicates Z: 82 52.899 2.203 0.775 0.545 0.951 0.654 CB 1.513 82 residues pruned to eliminate duplicates Z: 85 52.662 2.199 0.822 0.545 0.952 0.619 CB 1.441 85 residues pruned to eliminate duplicates Z: 81 55.726 2.232 0.847 0.561 0.950 0.613 CB 1.500 81 residues pruned to eliminate duplicates Z: 81 54.861 2.235 0.839 0.554 0.925 0.713 CB 1.531 81 residues pruned to eliminate duplicates Z: 99 52.781 2.165 0.732 0.563 0.918 0.633 CB 1.457 99 residues pruned to eliminate duplicates Z: 75 56.572 2.256 0.904 0.588 0.919 0.635 CB 1.531 75 residues pruned to eliminate duplicates Z: 80 54.637 2.226 0.833 0.558 0.937 0.582 CB 1.520 80 residues pruned to eliminate duplicates Z: 99 53.165 2.159 0.766 0.553 0.929 0.622 CB 1.441 99 residues pruned to eliminate duplicates Z: 101 53.644 2.154 0.784 0.567 0.910 0.600 CB 1.439 101 residues pruned to eliminate duplicates Z: 89 53.909 2.197 0.827 0.546 0.932 0.636 CB 1.469 89 residues pruned to eliminate duplicates Z: 88 56.667 2.193 0.858 0.563 0.954 0.655 CB 1.471 88 residues pruned to eliminate duplicates Z: 73 55.933 2.300 0.873 0.577 0.931 0.583 CB 1.526 73 residues pruned to eliminate duplicates Z: 76 47.279 2.221 0.749 0.567 0.907 0.560 CB 1.453 76 residues pruned to eliminate duplicates Z: 77 48.629 2.240 0.773 0.559 0.882 0.553 CB 1.504 77 residues pruned to eliminate duplicates Z: 82 58.895 2.223 0.926 0.571 0.951 0.580 CB 1.500 82 residues pruned to eliminate duplicates Z: 82 52.418 2.212 0.910 0.531 0.914 0.605 CB 1.463 82 residues pruned to eliminate duplicates Z: 76 52.417 2.235 0.816 0.567 0.933 0.573 CB 1.498 76 residues pruned to eliminate duplicates Z: 88 56.687 2.205 0.826 0.574 0.954 0.644 CB 1.473 88 residues pruned to eliminate duplicates Z: 83 54.801 2.212 0.848 0.574 0.939 0.610 CB 1.468 83 residues pruned to eliminate duplicates Z: 99 54.008 2.150 0.825 0.559 0.929 0.571 CB 1.414 99 residues pruned to eliminate duplicates Z: 75 53.490 2.251 0.895 0.577 0.932 0.568 CB 1.452 75 residues pruned to eliminate duplicates Z: 34 36.139 2.177 1.025 0.630 0.939 0.515 CB 1.344 34 residues pruned to eliminate duplicates Z: 74 57.102 2.277 0.884 0.581 0.945 0.493 CB 1.524 74 residues pruned to eliminate duplicates Z: 100 54.947 2.157 0.849 0.555 0.939 0.606 CB 1.397 102 residues pruned to eliminate duplicates Z: 11 20.015 1.992 1.363 0.933 0.900 0.400 CB 1.043 11 residues pruned to eliminate duplicates Z: 82 54.283 2.220 0.924 0.545 0.914 0.556 CB 1.479 82 residues pruned to eliminate duplicates Z: 98 55.047 2.161 0.874 0.562 0.907 0.577 CB 1.432 98 residues pruned to eliminate duplicates Z: 81 53.353 2.217 0.885 0.561 0.913 0.488 CB 1.474 81 residues pruned to eliminate duplicates Z: 82 55.695 2.225 0.845 0.559 0.951 0.593 CB 1.498 82 residues pruned to eliminate duplicates Z: 82 52.909 2.213 0.900 0.575 0.914 0.519 CB 1.423 82 residues pruned to eliminate duplicates Z: 79 44.688 2.093 0.862 0.518 0.936 0.564 CB 1.362 79 residues pruned to eliminate duplicates Z: 76 56.625 2.238 0.951 0.575 0.947 0.493 CB 1.471 76 residues pruned to eliminate duplicates Z: 93 55.434 2.182 0.822 0.575 0.935 0.587 CB 1.446 93 residues pruned to eliminate duplicates Z: 28 18.648 1.811 0.600 0.500 0.963 0.593 CB 1.286 28 residues pruned to eliminate duplicates Z: 31 15.001 1.838 0.513 0.481 0.867 0.533 CB 1.158 31 residues pruned to eliminate duplicates 6 1.966 1.148 0.232 0.367 1.000 0.800 N 0.717 ? Z: 6 5.316 1.683 0.835 0.369 0.800 0.400 CB 1.107 6 residues pruned to eliminate duplicates Z: 19 14.112 1.852 0.567 0.538 0.833 0.611 CB 1.325 19 residues pruned to eliminate duplicates Z: 13 12.407 1.842 0.793 0.504 0.833 0.583 CB 1.296 13 residues pruned to eliminate duplicates Z: 18 12.886 1.906 0.584 0.569 0.824 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 18 15.547 1.889 0.651 0.564 0.824 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 18 16.075 1.893 0.706 0.570 0.824 0.647 CB 1.370 17 residues pruned to eliminate duplicates Z: 10 14.162 2.063 0.265 0.775 1.000 0.778 CA 1.418 11 residues pruned to eliminate duplicates Z: 11 12.803 1.924 0.360 0.810 0.900 0.800 CA 1.312 10 residues pruned to eliminate duplicates Z: 11 15.295 1.914 0.460 0.807 1.000 0.500 CA 1.324 11 residues pruned to eliminate duplicates Z: 18 21.663 2.113 0.873 0.436 0.941 0.647 CB 1.507 18 residues pruned to eliminate duplicates Z: 18 21.845 2.126 0.704 0.434 1.000 0.647 CB 1.566 18 residues pruned to eliminate duplicates Z: 21 24.166 1.970 0.759 0.557 1.000 0.650 CB 1.476 21 residues pruned to eliminate duplicates Z: 21 21.849 1.990 0.732 0.522 0.950 0.750 CB 1.460 21 residues pruned to eliminate duplicates Z: 20 23.621 2.071 0.619 0.547 1.000 0.789 CB 1.544 20 residues pruned to eliminate duplicates Z: 20 28.031 2.080 0.845 0.558 1.000 0.842 CB 1.583 19 residues pruned to eliminate duplicates Z: 6 8.943 1.992 0.861 0.339 1.000 0.800 CA 1.286 6 residues pruned to eliminate duplicates Z: 23 24.284 1.919 0.799 0.559 0.955 0.727 CB 1.484 23 residues pruned to eliminate duplicates Z: 18 19.651 2.025 0.874 0.431 0.941 0.765 CB 1.434 18 residues pruned to eliminate duplicates Z: 19 27.799 2.138 0.800 0.551 1.000 0.833 CB 1.619 19 residues pruned to eliminate duplicates Z: 22 21.841 2.097 0.706 0.424 0.952 0.810 CB 1.514 22 residues pruned to eliminate duplicates 722 residues left after pruning, divided into chains as follows: A: 11 B: 27 C: 63 D: 15 E: 6 F: 13 G: 20 H: 17 I: 13 J: 16 K: 198 L: 198 M: 8 N: 99 O: 18 CC for partial structure against native data = 41.79 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.482, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.553, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.666, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.681, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.696, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.704, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.711, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.715, Connect. = 0.817 for dens.mod. cycle 8 = 0.300, Contrast = 0.719, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.720, Connect. = 0.818 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4437 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1052 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 48 31.764 2.187 0.777 0.380 0.851 0.426 CB 1.591 B: 16 34.970 2.431 0.983 0.794 0.867 0.733 CB 1.670 C: 14 36.118 2.473 0.818 0.922 0.923 0.923 CA 1.697 14 residues pruned to eliminate duplicates D: 21 50.680 2.417 1.003 0.930 0.900 0.700 CB 1.819 E: 15 47.116 2.437 1.240 0.923 0.929 0.857 CB 1.746 F: 16 42.198 2.405 0.877 0.856 1.000 0.800 CB 1.780 16 residues pruned to eliminate duplicates G: 37 48.238 2.374 0.539 0.874 0.972 0.806 CB 1.647 20 residues pruned to eliminate duplicates H: 37 35.680 2.103 0.589 0.858 0.917 0.694 CB 1.430 I: 13 26.343 2.374 0.816 0.756 0.917 0.500 CB 1.532 J: 17 23.977 2.389 0.700 0.382 0.938 0.500 CA 1.785 17 residues pruned to eliminate duplicates K: 16 28.210 2.272 0.735 0.775 0.867 0.533 CB 1.672 L: 15 48.172 2.418 1.098 0.911 1.000 0.786 CB 1.798 15 residues pruned to eliminate duplicates M: 11 28.195 2.373 0.718 0.826 1.000 0.800 CA 1.650 N: 16 53.777 2.340 1.448 0.861 0.933 0.733 CB 1.908 15 residues pruned to eliminate duplicates O: 15 33.749 2.293 0.847 0.912 1.000 0.786 CB 1.508 P: 16 17.184 1.981 0.746 0.448 0.933 0.600 CB 1.449 Q: 11 28.605 2.331 1.111 0.862 0.900 0.600 CB 1.499 10 residues pruned to eliminate duplicates R: 15 47.771 2.405 1.121 0.880 1.000 0.857 CB 1.814 15 residues pruned to eliminate duplicates S: 37 26.792 2.066 0.763 0.569 0.861 0.639 CB 1.332 T: 15 54.266 2.492 1.330 0.882 1.000 0.857 CB 1.806 16 residues pruned to eliminate duplicates U: 16 24.291 2.262 0.593 0.749 0.867 0.667 CB 1.608 16 residues pruned to eliminate duplicates V: 18 25.504 2.038 0.714 0.752 0.941 0.588 CA 1.503 18 residues pruned to eliminate duplicates W: 31 32.807 2.391 0.604 0.525 0.933 0.667 CB 1.633 14 residues pruned to eliminate duplicates X: 36 38.249 2.143 0.808 0.846 0.886 0.686 CB 1.399 37 residues pruned to eliminate duplicates Y: 13 19.346 2.087 0.708 0.707 0.833 0.667 CA 1.557 Z: 66 52.669 2.263 0.846 0.616 0.923 0.677 CB 1.519 48 residues pruned to eliminate duplicates Z: 22 45.080 2.462 0.605 0.866 1.000 0.714 CB 1.823 22 residues pruned to eliminate duplicates Z: 16 34.200 2.353 0.649 0.887 1.000 0.800 CB 1.641 16 residues pruned to eliminate duplicates Z: 16 30.283 2.285 0.859 0.786 0.867 0.667 CB 1.650 16 residues pruned to eliminate duplicates Z: 11 24.659 2.293 0.741 0.842 1.000 0.700 CA 1.456 11 residues pruned to eliminate duplicates Z: 12 29.070 2.328 0.661 0.866 1.000 0.636 CA 1.660 12 residues pruned to eliminate duplicates Z: 55 47.893 2.302 0.762 0.636 0.944 0.685 CB 1.498 40 residues pruned to eliminate duplicates Z: 120 61.206 2.231 0.676 0.583 0.908 0.597 CB 1.528 86 residues pruned to eliminate duplicates Z: 63 53.271 2.342 0.690 0.587 0.919 0.661 CB 1.710 45 residues pruned to eliminate duplicates Z: 24 38.243 2.450 0.435 0.820 0.957 0.565 CB 1.797 24 residues pruned to eliminate duplicates Z: 19 24.344 2.085 0.645 0.565 1.000 0.778 CB 1.572 Z: 15 39.035 2.371 0.937 0.880 1.000 0.857 CA 1.646 15 residues pruned to eliminate duplicates Z: 16 30.333 2.314 0.843 0.766 0.867 0.467 CB 1.674 16 residues pruned to eliminate duplicates Z: 16 22.831 2.248 0.521 0.726 0.867 0.667 CB 1.622 16 residues pruned to eliminate duplicates Z: 14 28.628 2.355 0.664 0.811 0.923 0.769 CA 1.675 Z: 14 32.578 2.283 0.855 0.926 1.000 1.000 CB 1.497 14 residues pruned to eliminate duplicates Z: 24 44.188 2.369 0.962 0.836 0.913 0.739 CB 1.625 25 residues pruned to eliminate duplicates Z: 62 54.706 2.376 0.722 0.555 0.934 0.656 CB 1.736 46 residues pruned to eliminate duplicates Z: 16 45.390 2.332 1.290 0.876 0.933 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 19 43.351 2.445 0.785 0.892 0.889 0.778 CB 1.892 19 residues pruned to eliminate duplicates Z: 19 45.182 2.421 0.774 0.886 1.000 0.722 CA 1.789 19 residues pruned to eliminate duplicates Z: 12 17.875 2.120 0.356 0.889 0.909 0.727 CB 1.485 12 residues pruned to eliminate duplicates Z: 12 23.004 2.548 0.613 0.804 0.727 0.636 CB 1.780 12 residues pruned to eliminate duplicates Z: 10 21.068 2.412 0.563 0.822 0.889 0.667 CB 1.585 10 residues pruned to eliminate duplicates Z: 14 13.873 2.097 0.578 0.407 0.846 0.769 CB 1.514 14 residues pruned to eliminate duplicates Z: 15 25.657 2.347 0.410 0.862 0.929 0.929 CA 1.637 15 residues pruned to eliminate duplicates Z: 31 32.642 2.378 0.630 0.496 0.900 0.567 CB 1.715 31 residues pruned to eliminate duplicates Z: 18 30.527 2.214 0.749 0.830 1.000 0.765 CB 1.438 18 residues pruned to eliminate duplicates Z: 43 36.368 2.081 0.657 0.656 0.929 0.643 CB 1.516 44 residues pruned to eliminate duplicates Z: 11 13.015 1.936 0.904 0.588 0.800 0.600 CB 1.283 11 residues pruned to eliminate duplicates Z: 14 50.604 2.497 1.278 0.917 1.000 0.692 CB 1.741 14 residues pruned to eliminate duplicates Z: 13 46.560 2.497 1.043 0.922 1.000 0.917 CB 1.852 13 residues pruned to eliminate duplicates Z: 17 24.227 2.181 0.873 0.511 0.875 0.625 CB 1.675 17 residues pruned to eliminate duplicates Z: 32 33.137 2.201 0.874 0.646 0.935 0.548 CB 1.346 12 residues pruned to eliminate duplicates Z: 30 34.691 2.425 0.755 0.465 0.897 0.483 CB 1.749 Z: 13 28.319 2.229 0.727 0.885 1.000 0.917 CB 1.534 13 residues pruned to eliminate duplicates Z: 11 17.825 2.368 0.638 0.496 0.900 0.800 CA 1.621 Z: 16 44.160 2.320 1.038 0.859 1.000 0.733 CA 1.775 16 residues pruned to eliminate duplicates Z: 12 21.053 2.237 0.674 0.810 0.909 0.727 CB 1.423 12 residues pruned to eliminate duplicates Z: 12 27.770 2.492 0.777 0.813 0.818 0.636 CB 1.760 12 residues pruned to eliminate duplicates Z: 15 29.569 2.251 0.671 0.927 1.000 1.000 CB 1.472 15 residues pruned to eliminate duplicates Z: 22 46.016 2.308 0.798 0.887 1.000 0.667 CA 1.745 22 residues pruned to eliminate duplicates Z: 38 35.003 2.231 0.667 0.574 0.919 0.730 CB 1.568 35 residues pruned to eliminate duplicates Z: 22 28.107 2.283 0.844 0.431 0.905 0.571 CB 1.730 22 residues pruned to eliminate duplicates Z: 36 29.591 2.026 0.710 0.645 0.943 0.657 CB 1.337 36 residues pruned to eliminate duplicates Z: 14 41.943 2.486 1.119 0.921 1.000 1.000 CB 1.554 14 residues pruned to eliminate duplicates Z: 12 23.062 2.538 0.378 0.754 0.909 0.727 CA 1.744 12 residues pruned to eliminate duplicates Z: 9 26.641 2.453 0.578 0.841 1.000 0.625 CA 1.814 9 residues pruned to eliminate duplicates Z: 115 63.844 2.270 0.679 0.598 0.939 0.614 CB 1.522 103 residues pruned to eliminate duplicates Z: 14 45.572 2.551 0.874 0.940 1.000 1.000 CB 1.837 14 residues pruned to eliminate duplicates Z: 35 35.497 2.193 0.524 0.869 0.941 0.735 CB 1.413 35 residues pruned to eliminate duplicates Z: 14 30.151 2.367 0.508 0.861 0.923 0.769 CA 1.865 14 residues pruned to eliminate duplicates Z: 10 9.649 2.192 0.719 0.270 0.778 0.444 CB 1.426 10 residues pruned to eliminate duplicates Z: 32 28.234 2.310 0.539 0.445 0.935 0.484 CB 1.614 32 residues pruned to eliminate duplicates Z: 15 22.265 2.210 0.296 0.923 1.000 0.857 CB 1.459 15 residues pruned to eliminate duplicates Z: 35 37.235 2.237 0.726 0.649 1.000 0.471 CB 1.440 13 residues pruned to eliminate duplicates Z: 38 47.483 2.298 0.745 0.852 0.865 0.649 CB 1.664 38 residues pruned to eliminate duplicates Z: 16 39.209 2.157 1.235 0.951 1.000 0.800 CA 1.447 16 residues pruned to eliminate duplicates Z: 15 32.268 2.130 0.817 0.820 1.000 0.786 CA 1.689 Z: 19 30.442 2.317 0.954 0.533 0.889 0.556 CA 1.726 19 residues pruned to eliminate duplicates Z: 21 40.336 2.263 0.784 0.919 1.000 0.800 CB 1.575 21 residues pruned to eliminate duplicates Z: 54 45.380 2.289 0.839 0.568 0.887 0.679 CB 1.564 54 residues pruned to eliminate duplicates Z: 10 7.525 2.112 0.922 0.277 0.667 0.444 CB 1.193 10 residues pruned to eliminate duplicates Z: 25 37.938 2.455 0.709 0.598 0.958 0.625 CB 1.754 25 residues pruned to eliminate duplicates Z: 12 22.243 2.266 0.339 0.895 1.000 0.909 CB 1.585 12 residues pruned to eliminate duplicates Z: 23 16.168 2.103 0.398 0.420 0.864 0.364 CB 1.475 23 residues pruned to eliminate duplicates Z: 15 28.045 2.221 0.658 0.935 1.000 0.857 CB 1.418 15 residues pruned to eliminate duplicates Z: 42 37.981 2.169 0.911 0.564 0.902 0.561 CB 1.491 21 residues pruned to eliminate duplicates Z: 62 42.343 2.136 0.867 0.555 0.869 0.557 CB 1.483 64 residues pruned to eliminate duplicates Z: 18 18.266 2.131 0.604 0.529 0.941 0.588 CB 1.339 11 residues pruned to eliminate duplicates Z: 16 38.868 2.347 0.917 0.943 1.000 1.000 CB 1.545 16 residues pruned to eliminate duplicates Z: 21 36.258 2.417 0.824 0.563 1.000 0.700 CB 1.731 21 residues pruned to eliminate duplicates Z: 14 37.877 2.380 0.907 0.922 1.000 0.923 CB 1.627 14 residues pruned to eliminate duplicates Z: 17 28.859 2.023 0.616 0.924 1.000 0.875 CB 1.549 Z: 12 12.777 1.995 0.870 0.331 0.818 0.727 CB 1.520 11 residues pruned to eliminate duplicates Z: 38 31.466 2.120 0.655 0.612 0.919 0.703 CB 1.444 38 residues pruned to eliminate duplicates Z: 10 22.289 2.531 0.488 0.860 0.889 0.778 CB 1.632 10 residues pruned to eliminate duplicates Z: 39 31.506 2.141 0.702 0.618 0.895 0.684 CB 1.402 39 residues pruned to eliminate duplicates Z: 38 51.009 2.335 0.711 0.866 0.946 0.838 CB 1.625 49 residues pruned to eliminate duplicates Z: 26 23.773 2.362 0.533 0.384 0.920 0.440 CB 1.614 26 residues pruned to eliminate duplicates Z: 17 27.789 2.090 0.889 0.821 0.938 0.750 CA 1.421 16 residues pruned to eliminate duplicates Z: 17 30.605 1.987 0.710 0.944 1.000 0.312 CB 1.560 17 residues pruned to eliminate duplicates Z: 33 23.943 2.229 0.962 0.305 0.750 0.281 CB 1.603 33 residues pruned to eliminate duplicates Z: 10 22.923 2.103 0.527 0.884 1.000 0.667 CA 1.719 10 residues pruned to eliminate duplicates Z: 18 28.888 1.924 0.760 0.909 1.000 0.706 CB 1.468 17 residues pruned to eliminate duplicates Z: 17 29.661 2.218 0.917 0.700 0.875 0.562 CB 1.661 17 residues pruned to eliminate duplicates Z: 14 25.081 1.968 0.804 0.808 0.923 0.615 CB 1.623 14 residues pruned to eliminate duplicates Z: 15 28.474 2.242 0.645 0.814 0.929 0.500 CA 1.691 14 residues pruned to eliminate duplicates Z: 13 34.515 2.383 0.795 0.844 1.000 0.750 CA 1.734 13 residues pruned to eliminate duplicates Z: 12 24.377 2.175 0.657 0.868 1.000 0.818 CB 1.491 12 residues pruned to eliminate duplicates Z: 13 18.828 2.152 0.363 0.829 0.917 0.833 CB 1.521 13 residues pruned to eliminate duplicates Z: 10 14.715 2.164 0.772 0.462 0.778 0.667 CB 1.709 10 residues pruned to eliminate duplicates Z: 16 16.731 2.116 0.685 0.398 0.933 0.400 CB 1.446 16 residues pruned to eliminate duplicates Z: 16 29.674 2.277 0.824 0.776 0.867 0.533 CA 1.669 16 residues pruned to eliminate duplicates Z: 20 40.529 2.277 0.883 0.915 0.947 0.684 CB 1.618 20 residues pruned to eliminate duplicates Z: 15 28.699 2.248 0.774 0.830 0.929 0.786 CA 1.558 14 residues pruned to eliminate duplicates Z: 40 33.294 2.271 0.775 0.486 0.897 0.359 CB 1.494 40 residues pruned to eliminate duplicates Z: 38 43.052 2.319 0.530 0.877 0.892 0.784 CB 1.625 38 residues pruned to eliminate duplicates Z: 14 18.956 2.172 0.815 0.412 1.000 0.692 CB 1.463 15 residues pruned to eliminate duplicates Z: 15 31.508 2.263 0.720 0.940 1.000 1.000 CB 1.502 15 residues pruned to eliminate duplicates Z: 22 33.990 2.146 0.652 0.899 1.000 0.810 CB 1.495 22 residues pruned to eliminate duplicates Z: 19 16.249 2.078 0.798 0.429 0.889 0.333 CB 1.241 19 residues pruned to eliminate duplicates Z: 17 20.652 2.014 0.184 0.934 1.000 0.938 CB 1.509 17 residues pruned to eliminate duplicates Z: 15 27.449 2.060 0.704 0.931 1.000 0.929 CB 1.460 21 residues pruned to eliminate duplicates Z: 15 34.264 2.370 0.795 0.838 0.929 0.786 CA 1.733 15 residues pruned to eliminate duplicates Z: 17 33.633 2.225 0.782 0.789 1.000 0.500 CA 1.644 16 residues pruned to eliminate duplicates Z: 11 21.725 2.401 0.156 0.893 1.000 1.000 CA 1.777 11 residues pruned to eliminate duplicates Z: 15 31.548 2.145 1.016 0.778 0.929 0.571 CA 1.643 15 residues pruned to eliminate duplicates Z: 36 37.776 2.148 0.606 0.847 0.971 0.686 CB 1.414 36 residues pruned to eliminate duplicates Z: 12 24.911 2.376 0.638 0.849 0.818 0.636 CB 1.748 12 residues pruned to eliminate duplicates Z: 99 53.992 2.160 0.824 0.564 0.888 0.551 CB 1.465 44 residues pruned to eliminate duplicates Z: 106 51.398 2.139 0.719 0.549 0.905 0.619 CB 1.438 106 residues pruned to eliminate duplicates Z: 14 27.429 2.304 0.620 0.856 0.923 0.615 CB 1.628 14 residues pruned to eliminate duplicates Z: 18 35.620 2.031 1.047 0.918 1.000 0.529 CB 1.466 18 residues pruned to eliminate duplicates Z: 16 22.373 1.940 0.578 0.917 1.000 0.800 CB 1.332 16 residues pruned to eliminate duplicates Z: 82 48.882 2.134 0.708 0.642 0.951 0.630 CB 1.372 82 residues pruned to eliminate duplicates Z: 25 24.051 1.974 0.845 0.580 0.917 0.667 CB 1.362 Z: 13 11.751 1.899 0.152 0.900 1.000 0.833 CB 1.107 Z: 25 36.545 2.415 0.844 0.489 0.958 0.458 CB 1.767 25 residues pruned to eliminate duplicates Z: 16 35.565 2.310 1.115 0.838 0.867 0.733 CB 1.621 16 residues pruned to eliminate duplicates Z: 8 6.944 1.848 0.172 0.675 0.857 0.571 CB 1.204 Z: 63 54.190 2.362 0.740 0.557 0.919 0.694 CB 1.723 63 residues pruned to eliminate duplicates Z: 25 26.394 2.017 0.943 0.546 0.958 0.750 CB 1.372 25 residues pruned to eliminate duplicates Z: 16 46.917 2.433 1.150 0.864 1.000 0.667 CB 1.697 16 residues pruned to eliminate duplicates Z: 17 31.309 2.224 0.831 0.767 0.938 0.562 CB 1.619 17 residues pruned to eliminate duplicates Z: 17 26.963 2.037 0.518 0.912 1.000 0.875 CB 1.544 17 residues pruned to eliminate duplicates Z: 22 15.037 1.845 0.419 0.752 0.810 0.619 CB 1.236 35 residues pruned to eliminate duplicates Z: 20 42.695 2.494 0.471 0.924 1.000 0.947 CB 1.876 20 residues pruned to eliminate duplicates Z: 18 19.623 1.886 0.338 0.871 0.941 0.824 CA 1.461 18 residues pruned to eliminate duplicates Z: 16 27.352 2.261 0.791 0.798 0.867 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 10 15.721 2.129 0.478 0.756 0.889 0.444 CB 1.491 10 residues pruned to eliminate duplicates Z: 15 7.454 1.989 0.264 0.292 0.857 0.571 CB 1.168 Z: 34 35.427 2.294 0.633 0.535 0.909 0.697 CB 1.750 34 residues pruned to eliminate duplicates Z: 18 26.566 1.895 0.692 0.892 0.941 0.529 CB 1.534 18 residues pruned to eliminate duplicates Z: 16 43.483 2.336 1.189 0.881 1.000 0.800 CB 1.589 16 residues pruned to eliminate duplicates Z: 8 7.891 1.824 0.849 0.483 0.714 0.571 CA 1.259 8 residues pruned to eliminate duplicates Z: 25 31.764 2.433 0.785 0.457 0.875 0.333 CB 1.783 25 residues pruned to eliminate duplicates Z: 43 38.070 2.163 1.012 0.646 0.857 0.548 CB 1.374 43 residues pruned to eliminate duplicates Z: 26 29.258 2.370 0.697 0.460 0.840 0.400 CA 1.804 26 residues pruned to eliminate duplicates Z: 25 34.884 2.385 0.923 0.550 0.875 0.625 CB 1.690 25 residues pruned to eliminate duplicates Z: 15 46.647 2.388 1.201 0.902 1.000 0.857 CA 1.692 15 residues pruned to eliminate duplicates Z: 16 43.769 2.311 1.009 0.904 1.000 0.867 CB 1.734 16 residues pruned to eliminate duplicates Z: 14 22.562 2.267 0.611 0.528 0.923 0.692 CA 1.806 14 residues pruned to eliminate duplicates Z: 18 31.545 1.968 1.077 0.932 0.941 0.294 CB 1.388 18 residues pruned to eliminate duplicates Z: 33 37.378 2.223 0.551 0.847 0.969 0.688 CB 1.468 33 residues pruned to eliminate duplicates Z: 16 24.955 2.082 0.375 0.947 1.000 0.933 CB 1.556 16 residues pruned to eliminate duplicates Z: 15 30.623 2.125 0.742 0.853 1.000 0.643 CA 1.634 15 residues pruned to eliminate duplicates Z: 18 36.741 2.423 0.537 0.915 0.941 0.824 CA 1.796 18 residues pruned to eliminate duplicates Z: 15 24.592 2.186 0.514 0.852 0.929 0.786 CA 1.582 15 residues pruned to eliminate duplicates Z: 30 35.763 2.430 0.895 0.423 0.862 0.448 CB 1.813 30 residues pruned to eliminate duplicates Z: 75 47.822 2.162 0.611 0.644 0.973 0.676 CB 1.434 75 residues pruned to eliminate duplicates Z: 9 18.754 2.041 0.755 0.662 1.000 0.875 CA 1.593 9 residues pruned to eliminate duplicates Z: 16 28.384 2.204 0.791 0.791 0.933 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 17 19.737 2.034 0.299 0.885 1.000 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 14 20.376 2.197 0.832 0.419 1.000 0.846 CB 1.528 14 residues pruned to eliminate duplicates Z: 17 19.477 1.848 0.497 0.898 1.000 0.938 CB 1.259 17 residues pruned to eliminate duplicates Z: 15 26.522 2.132 0.665 0.813 0.929 0.571 CA 1.637 15 residues pruned to eliminate duplicates Z: 50 31.740 2.103 0.799 0.552 0.857 0.510 CB 1.328 50 residues pruned to eliminate duplicates Z: 63 53.427 2.370 0.665 0.586 0.919 0.677 CB 1.723 63 residues pruned to eliminate duplicates Z: 18 26.680 1.920 0.644 0.896 1.000 0.706 CB 1.469 18 residues pruned to eliminate duplicates Z: 20 21.335 1.926 0.831 0.541 0.947 0.526 CB 1.406 Z: 6 9.517 1.879 0.087 0.887 1.000 1.000 CA 1.502 6 residues pruned to eliminate duplicates Z: 13 24.297 2.055 0.968 0.919 0.833 0.333 CA 1.466 14 residues pruned to eliminate duplicates Z: 11 29.430 2.249 1.043 0.820 0.900 0.700 CA 1.705 11 residues pruned to eliminate duplicates Z: 17 32.035 2.107 0.845 0.934 1.000 0.625 CB 1.436 17 residues pruned to eliminate duplicates Z: 20 44.142 2.394 0.697 0.901 1.000 0.842 CA 1.780 20 residues pruned to eliminate duplicates Z: 14 33.856 2.473 0.858 0.647 0.923 0.538 CA 1.930 14 residues pruned to eliminate duplicates Z: 103 55.833 2.290 0.621 0.552 0.902 0.578 CB 1.569 100 residues pruned to eliminate duplicates Z: 16 20.340 2.221 0.565 0.553 0.933 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 19 33.690 1.957 0.936 0.925 1.000 0.611 CB 1.470 19 residues pruned to eliminate duplicates Z: 16 19.566 1.906 0.408 0.879 1.000 0.733 CB 1.365 16 residues pruned to eliminate duplicates Z: 16 22.840 2.097 0.336 0.941 1.000 0.933 CA 1.462 16 residues pruned to eliminate duplicates Z: 21 21.731 1.960 0.646 0.571 0.950 0.800 CB 1.480 21 residues pruned to eliminate duplicates Z: 8 12.575 1.981 0.787 0.560 0.857 0.714 CB 1.477 8 residues pruned to eliminate duplicates Z: 15 34.029 2.291 1.023 0.855 0.857 0.857 CB 1.690 15 residues pruned to eliminate duplicates Z: 38 36.703 2.153 0.841 0.595 0.946 0.649 CB 1.470 38 residues pruned to eliminate duplicates Z: 35 30.956 2.165 0.868 0.620 0.882 0.471 CB 1.329 28 residues pruned to eliminate duplicates Z: 15 31.069 2.239 0.789 0.844 0.929 0.857 CA 1.660 15 residues pruned to eliminate duplicates Z: 21 39.983 2.449 0.724 0.630 1.000 0.550 CB 1.874 21 residues pruned to eliminate duplicates Z: 36 44.641 2.303 0.944 0.583 0.971 0.714 CB 1.601 36 residues pruned to eliminate duplicates Z: 18 16.547 1.883 0.642 0.491 1.000 0.471 CB 1.309 18 residues pruned to eliminate duplicates Z: 15 29.858 2.109 0.737 0.839 1.000 0.571 CA 1.626 15 residues pruned to eliminate duplicates Z: 11 18.889 1.847 1.120 0.898 0.900 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 35 28.794 2.154 0.564 0.576 0.912 0.647 CB 1.494 35 residues pruned to eliminate duplicates Z: 16 22.944 1.929 0.614 0.936 1.000 0.933 CB 1.325 16 residues pruned to eliminate duplicates Z: 36 30.494 2.143 0.350 0.841 0.971 0.714 CB 1.367 36 residues pruned to eliminate duplicates Z: 33 19.941 1.889 0.861 0.469 0.781 0.562 CB 1.324 33 residues pruned to eliminate duplicates Z: 61 50.148 2.329 0.749 0.532 0.917 0.633 CB 1.680 61 residues pruned to eliminate duplicates Z: 14 31.233 2.239 0.888 0.843 1.000 0.769 CA 1.525 14 residues pruned to eliminate duplicates Z: 25 23.892 2.050 0.755 0.520 0.917 0.583 CB 1.450 25 residues pruned to eliminate duplicates Z: 38 32.790 2.054 0.498 0.870 0.946 0.730 CB 1.353 38 residues pruned to eliminate duplicates Z: 35 38.545 2.249 0.761 0.657 1.000 0.647 CB 1.443 36 residues pruned to eliminate duplicates Z: 30 42.040 2.427 0.909 0.564 0.966 0.793 CB 1.641 30 residues pruned to eliminate duplicates Z: 20 13.282 1.809 0.672 0.466 0.895 0.632 CB 1.165 20 residues pruned to eliminate duplicates Z: 17 22.114 1.850 0.563 0.883 1.000 0.875 CB 1.382 17 residues pruned to eliminate duplicates Z: 44 29.115 2.101 0.770 0.456 0.860 0.558 CB 1.450 44 residues pruned to eliminate duplicates Z: 13 23.499 2.140 0.955 0.827 0.833 0.750 CB 1.466 13 residues pruned to eliminate duplicates Z: 14 31.600 2.255 0.661 0.843 1.000 0.615 CA 1.743 15 residues pruned to eliminate duplicates Z: 18 24.032 2.049 0.287 0.927 1.000 0.941 CB 1.548 18 residues pruned to eliminate duplicates Z: 18 25.483 2.041 0.324 0.941 1.000 0.941 CB 1.587 18 residues pruned to eliminate duplicates Z: 14 36.478 2.282 1.060 0.934 1.000 0.846 CB 1.501 14 residues pruned to eliminate duplicates Z: 58 42.088 2.188 0.831 0.608 0.860 0.579 CB 1.460 58 residues pruned to eliminate duplicates Z: 16 49.104 2.369 1.497 0.821 1.000 0.467 CB 1.622 16 residues pruned to eliminate duplicates Z: 34 37.714 2.288 0.903 0.525 0.939 0.576 CB 1.566 34 residues pruned to eliminate duplicates Z: 14 38.816 2.521 0.980 0.893 1.000 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 20 19.371 1.894 0.729 0.571 0.947 0.737 CB 1.338 20 residues pruned to eliminate duplicates Z: 16 13.444 1.976 0.294 0.770 0.867 0.667 CB 1.234 2 residues pruned to eliminate duplicates Z: 7 8.323 1.827 0.177 0.611 1.000 0.500 CB 1.422 7 residues pruned to eliminate duplicates Z: 26 23.866 2.027 0.857 0.523 0.920 0.680 CB 1.346 25 residues pruned to eliminate duplicates Z: 16 19.666 1.913 0.441 0.914 0.933 0.733 CB 1.396 16 residues pruned to eliminate duplicates Z: 32 33.902 2.325 0.636 0.555 0.903 0.613 CB 1.679 32 residues pruned to eliminate duplicates Z: 37 30.967 2.144 0.696 0.624 0.917 0.611 CB 1.378 37 residues pruned to eliminate duplicates Z: 28 22.738 1.959 0.761 0.468 0.963 0.556 CB 1.360 28 residues pruned to eliminate duplicates Z: 7 8.711 1.578 0.484 0.808 1.000 0.833 CA 1.161 7 residues pruned to eliminate duplicates Z: 38 44.402 2.321 0.482 0.855 0.946 0.703 CB 1.655 38 residues pruned to eliminate duplicates Z: 15 13.398 2.049 0.367 0.395 0.929 0.643 CB 1.538 15 residues pruned to eliminate duplicates Z: 6 5.611 1.910 0.084 0.647 0.800 0.400 CA 1.321 6 residues pruned to eliminate duplicates Z: 15 40.228 2.312 1.165 0.889 0.929 0.714 CB 1.665 15 residues pruned to eliminate duplicates Z: 21 27.174 2.331 0.569 0.433 0.950 0.400 CB 1.874 21 residues pruned to eliminate duplicates Z: 12 17.214 2.026 0.943 0.891 0.909 0.818 CB 1.042 12 residues pruned to eliminate duplicates Z: 24 13.666 1.889 0.816 0.504 0.826 0.478 CB 1.001 11 residues pruned to eliminate duplicates Z: 36 32.723 2.155 0.473 0.866 0.943 0.800 CB 1.354 36 residues pruned to eliminate duplicates Z: 23 11.917 1.887 0.449 0.467 0.818 0.227 CB 1.175 23 residues pruned to eliminate duplicates Z: 39 33.545 1.996 0.824 0.624 0.947 0.658 CB 1.403 39 residues pruned to eliminate duplicates Z: 13 22.377 2.081 0.533 0.871 1.000 0.917 CA 1.478 13 residues pruned to eliminate duplicates Z: 9 8.995 1.889 0.298 0.750 0.875 0.625 CB 1.186 9 residues pruned to eliminate duplicates Z: 37 32.868 2.261 0.611 0.589 0.861 0.694 CB 1.602 37 residues pruned to eliminate duplicates Z: 99 51.178 2.144 0.743 0.561 0.898 0.602 CB 1.452 99 residues pruned to eliminate duplicates Z: 99 56.775 2.170 0.832 0.582 0.918 0.571 CB 1.452 99 residues pruned to eliminate duplicates Z: 26 33.549 2.362 0.755 0.507 0.920 0.480 CB 1.748 26 residues pruned to eliminate duplicates Z: 16 30.275 2.087 0.739 0.853 1.000 0.867 CB 1.592 16 residues pruned to eliminate duplicates Z: 15 31.677 2.165 1.169 0.934 0.929 0.429 CB 1.354 15 residues pruned to eliminate duplicates Z: 34 36.738 2.346 0.843 0.531 0.909 0.576 CB 1.578 34 residues pruned to eliminate duplicates Z: 39 34.223 2.140 0.738 0.537 0.895 0.711 CB 1.608 39 residues pruned to eliminate duplicates Z: 6 9.413 1.991 0.189 0.847 1.000 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 27 16.467 2.028 0.693 0.424 0.846 0.538 CB 1.203 27 residues pruned to eliminate duplicates Z: 25 22.516 2.025 0.777 0.532 0.917 0.625 CB 1.351 25 residues pruned to eliminate duplicates Z: 36 29.606 2.116 0.418 0.850 0.914 0.829 CB 1.351 36 residues pruned to eliminate duplicates Z: 27 21.672 1.982 0.772 0.502 0.885 0.615 CB 1.366 26 residues pruned to eliminate duplicates Z: 36 34.020 2.317 0.530 0.577 0.914 0.657 CB 1.647 36 residues pruned to eliminate duplicates Z: 12 23.484 2.468 0.419 0.864 0.909 0.545 CB 1.630 12 residues pruned to eliminate duplicates Z: 14 14.037 1.929 0.678 0.407 1.000 0.538 CB 1.327 Z: 15 24.223 2.320 0.543 0.807 0.929 0.714 CB 1.490 15 residues pruned to eliminate duplicates Z: 19 42.671 2.437 0.761 0.879 0.944 0.778 CB 1.799 19 residues pruned to eliminate duplicates Z: 102 52.819 2.117 0.769 0.561 0.921 0.584 CB 1.436 102 residues pruned to eliminate duplicates Z: 18 30.384 2.057 0.595 0.918 1.000 0.882 CA 1.584 18 residues pruned to eliminate duplicates Z: 6 3.368 1.805 0.283 0.606 0.600 0.400 CB 0.980 6 residues pruned to eliminate duplicates Z: 46 33.422 2.109 0.542 0.570 0.933 0.622 CB 1.535 46 residues pruned to eliminate duplicates Z: 12 11.877 1.682 0.560 0.818 0.909 0.636 CB 1.139 10 residues pruned to eliminate duplicates Z: 9 17.805 2.130 0.667 0.697 0.875 0.625 CB 1.692 9 residues pruned to eliminate duplicates Z: 17 28.296 2.019 0.642 0.912 1.000 0.812 CB 1.511 17 residues pruned to eliminate duplicates Z: 11 14.876 2.125 0.136 0.914 1.000 0.900 CB 1.378 11 residues pruned to eliminate duplicates Z: 12 31.940 2.492 0.631 0.855 1.000 0.818 CA 1.748 12 residues pruned to eliminate duplicates Z: 15 25.916 2.095 0.751 0.781 0.929 0.714 CA 1.587 15 residues pruned to eliminate duplicates Z: 14 16.081 1.906 0.895 0.886 1.000 0.846 CB 0.891 14 residues pruned to eliminate duplicates Z: 22 34.333 2.117 0.657 0.904 1.000 0.810 CB 1.520 22 residues pruned to eliminate duplicates Z: 9 15.639 1.921 0.778 0.863 1.000 0.875 CB 1.188 9 residues pruned to eliminate duplicates Z: 13 19.863 2.156 0.464 0.864 0.917 0.750 CB 1.453 13 residues pruned to eliminate duplicates Z: 13 23.856 2.312 0.585 0.755 0.917 0.667 CA 1.634 13 residues pruned to eliminate duplicates 8 1.934 1.596 0.280 0.201 0.571 0.286 C 0.893 ? Z: 8 3.993 1.927 0.081 0.299 0.714 0.286 CB 1.270 8 residues pruned to eliminate duplicates Z: 18 25.792 2.126 1.018 0.801 0.941 0.529 CB 1.191 18 residues pruned to eliminate duplicates Z: 18 21.426 2.135 0.434 0.833 0.941 0.824 CB 1.353 18 residues pruned to eliminate duplicates Z: 31 29.232 2.342 0.638 0.493 0.867 0.567 CB 1.616 31 residues pruned to eliminate duplicates Z: 14 36.558 2.256 1.185 0.910 1.000 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 38 50.303 2.330 0.633 0.872 0.946 0.757 CB 1.675 38 residues pruned to eliminate duplicates Z: 14 23.637 2.043 0.639 0.892 0.923 0.462 CB 1.524 14 residues pruned to eliminate duplicates Z: 21 43.457 2.267 0.871 0.933 1.000 0.850 CB 1.599 21 residues pruned to eliminate duplicates Z: 12 21.935 2.249 0.334 0.842 1.000 0.909 CB 1.643 12 residues pruned to eliminate duplicates Z: 75 43.806 2.109 0.640 0.636 0.946 0.649 CB 1.370 75 residues pruned to eliminate duplicates Z: 6 7.432 1.850 0.091 0.785 1.000 0.400 CA 1.281 6 residues pruned to eliminate duplicates Z: 12 19.360 1.911 0.560 0.659 1.000 1.000 CB 1.689 11 residues pruned to eliminate duplicates Z: 13 23.340 2.156 0.774 0.774 0.917 0.583 CB 1.508 13 residues pruned to eliminate duplicates Z: 21 44.040 2.283 0.847 0.912 1.000 0.750 CB 1.654 21 residues pruned to eliminate duplicates Z: 24 28.671 2.111 0.806 0.636 0.957 0.565 CB 1.443 16 residues pruned to eliminate duplicates Z: 38 38.293 2.068 0.875 0.721 0.946 0.649 CB 1.406 38 residues pruned to eliminate duplicates Z: 14 22.731 2.060 0.719 0.862 0.923 0.538 CB 1.416 14 residues pruned to eliminate duplicates Z: 11 11.344 2.024 0.666 0.425 0.800 0.500 CB 1.437 11 residues pruned to eliminate duplicates Z: 37 39.242 2.139 0.722 0.860 0.917 0.722 CB 1.425 37 residues pruned to eliminate duplicates Z: 17 27.886 2.229 0.584 0.880 0.875 0.562 CB 1.635 17 residues pruned to eliminate duplicates Z: 14 19.793 2.092 0.859 0.462 0.923 0.538 CB 1.589 14 residues pruned to eliminate duplicates Z: 11 23.394 2.145 0.864 0.775 0.900 0.800 CB 1.613 11 residues pruned to eliminate duplicates Z: 15 44.607 2.331 1.206 0.892 1.000 0.857 CB 1.666 15 residues pruned to eliminate duplicates Z: 17 34.878 2.169 0.799 0.934 1.000 0.875 CB 1.559 17 residues pruned to eliminate duplicates Z: 11 15.700 2.128 0.593 0.893 0.900 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 16 14.631 2.077 0.813 0.441 0.867 0.533 CB 1.230 16 residues pruned to eliminate duplicates Z: 17 31.512 2.009 0.719 0.938 1.000 0.750 CB 1.586 17 residues pruned to eliminate duplicates Z: 6 2.827 1.929 0.412 0.485 0.800 0.600 CB 0.589 6 residues pruned to eliminate duplicates Z: 12 9.969 2.013 0.338 0.568 0.818 0.636 CB 1.277 Z: 34 34.184 2.278 0.817 0.460 0.939 0.545 CB 1.595 34 residues pruned to eliminate duplicates Z: 7 8.997 1.878 0.917 0.635 0.833 0.667 CA 1.079 Z: 12 15.004 2.160 0.544 0.557 1.000 0.818 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 32.944 2.202 1.046 0.828 0.923 0.692 CB 1.655 14 residues pruned to eliminate duplicates Z: 16 24.084 2.081 0.435 0.931 1.000 0.933 CB 1.455 16 residues pruned to eliminate duplicates Z: 16 23.287 1.926 0.696 0.884 0.933 0.733 CB 1.425 16 residues pruned to eliminate duplicates Z: 99 51.783 2.144 0.762 0.553 0.908 0.582 CB 1.448 99 residues pruned to eliminate duplicates Z: 27 32.396 2.213 0.723 0.640 0.962 0.731 CB 1.520 27 residues pruned to eliminate duplicates Z: 19 20.116 2.210 0.556 0.440 0.889 0.444 CB 1.650 20 residues pruned to eliminate duplicates Z: 15 29.855 2.254 0.642 0.928 1.000 1.000 CB 1.510 15 residues pruned to eliminate duplicates Z: 22 22.538 1.986 0.648 0.523 0.952 0.667 CB 1.541 22 residues pruned to eliminate duplicates Z: 9 34.136 2.514 0.838 0.913 1.000 0.875 CA 1.849 9 residues pruned to eliminate duplicates Z: 24 28.601 2.323 0.635 0.472 0.957 0.435 CB 1.689 24 residues pruned to eliminate duplicates Z: 24 35.243 2.311 0.698 0.762 1.000 0.783 CB 1.484 24 residues pruned to eliminate duplicates Z: 16 23.006 2.137 0.602 0.808 0.933 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 48 30.736 2.188 0.793 0.397 0.830 0.532 CB 1.535 48 residues pruned to eliminate duplicates Z: 16 30.272 2.211 0.726 0.844 1.000 0.800 CB 1.524 16 residues pruned to eliminate duplicates Z: 13 25.643 2.114 0.702 0.919 1.000 0.833 CB 1.451 13 residues pruned to eliminate duplicates Z: 15 30.317 2.276 0.709 0.924 1.000 0.714 CB 1.463 15 residues pruned to eliminate duplicates Z: 27 31.224 2.208 0.544 0.833 0.923 0.808 CB 1.460 27 residues pruned to eliminate duplicates Z: 26 27.343 2.085 0.824 0.632 0.960 0.480 CB 1.323 26 residues pruned to eliminate duplicates Z: 41 39.287 2.231 0.794 0.551 0.975 0.650 CB 1.515 41 residues pruned to eliminate duplicates Z: 15 27.765 2.051 0.740 0.926 1.000 0.500 CB 1.458 15 residues pruned to eliminate duplicates Z: 41 26.530 1.954 0.671 0.553 0.875 0.575 CB 1.394 41 residues pruned to eliminate duplicates Z: 38 46.163 2.297 0.601 0.862 0.946 0.784 CB 1.601 38 residues pruned to eliminate duplicates Z: 16 30.227 2.138 0.762 0.832 0.933 0.533 CA 1.666 14 residues pruned to eliminate duplicates Z: 17 18.019 1.971 0.296 0.905 1.000 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 29 36.458 2.357 0.759 0.548 0.929 0.643 CB 1.708 29 residues pruned to eliminate duplicates Z: 92 55.009 2.277 0.613 0.640 0.934 0.725 CB 1.475 92 residues pruned to eliminate duplicates Z: 39 32.729 2.002 0.927 0.623 0.868 0.579 CB 1.411 39 residues pruned to eliminate duplicates Z: 15 8.609 1.686 0.259 0.438 0.929 0.500 CB 1.244 15 residues pruned to eliminate duplicates Z: 9 10.858 1.840 0.697 0.618 0.875 0.500 CB 1.257 9 residues pruned to eliminate duplicates Z: 79 56.047 2.267 0.825 0.574 0.936 0.654 CB 1.527 79 residues pruned to eliminate duplicates Z: 67 40.932 2.123 0.723 0.577 0.909 0.530 CB 1.407 96 residues pruned to eliminate duplicates Z: 9 10.561 2.080 0.655 0.513 1.000 0.875 CB 1.071 9 residues pruned to eliminate duplicates Z: 14 20.076 2.183 0.674 0.740 0.846 0.615 CB 1.452 14 residues pruned to eliminate duplicates Z: 6 11.740 1.956 0.736 0.833 0.800 0.600 CB 1.450 6 residues pruned to eliminate duplicates Z: 12 26.330 2.171 0.719 0.912 0.909 0.818 CB 1.658 12 residues pruned to eliminate duplicates Z: 57 35.229 2.056 0.709 0.555 0.929 0.554 CB 1.368 57 residues pruned to eliminate duplicates Z: 16 20.713 2.215 0.645 0.481 0.933 0.600 CA 1.603 16 residues pruned to eliminate duplicates Z: 44 31.939 2.109 0.639 0.673 0.837 0.605 CB 1.435 44 residues pruned to eliminate duplicates Z: 36 35.877 2.216 0.693 0.618 0.914 0.571 CB 1.581 36 residues pruned to eliminate duplicates Z: 33 31.309 2.335 0.677 0.410 0.875 0.500 CB 1.775 33 residues pruned to eliminate duplicates Z: 19 30.639 1.989 0.646 0.916 1.000 0.889 CA 1.559 19 residues pruned to eliminate duplicates Z: 17 13.830 1.944 0.890 0.454 0.938 0.562 CB 1.053 19 residues pruned to eliminate duplicates Z: 15 18.677 2.299 0.869 0.430 0.857 0.429 CB 1.458 32 residues pruned to eliminate duplicates Z: 30 38.508 2.348 0.672 0.593 0.931 0.621 CB 1.790 30 residues pruned to eliminate duplicates Z: 44 47.784 2.285 0.658 0.759 0.977 0.628 CB 1.563 44 residues pruned to eliminate duplicates Z: 14 19.040 2.047 0.256 0.920 1.000 0.923 CB 1.447 14 residues pruned to eliminate duplicates Z: 64 42.200 2.193 0.836 0.559 0.873 0.667 CB 1.429 64 residues pruned to eliminate duplicates Z: 16 24.011 1.967 0.587 0.929 1.000 1.000 CB 1.390 16 residues pruned to eliminate duplicates Z: 17 13.377 1.978 0.756 0.474 0.875 0.562 CB 1.130 Z: 15 23.230 1.941 0.620 0.948 1.000 0.571 CB 1.364 15 residues pruned to eliminate duplicates Z: 17 38.013 2.197 1.043 0.866 0.938 0.625 CB 1.654 17 residues pruned to eliminate duplicates Z: 36 32.372 2.242 0.558 0.598 0.886 0.657 CB 1.612 36 residues pruned to eliminate duplicates Z: 7 7.661 1.973 0.633 0.640 0.667 0.667 CA 1.277 7 residues pruned to eliminate duplicates Z: 32 38.866 2.381 0.771 0.568 0.935 0.645 CB 1.656 32 residues pruned to eliminate duplicates Z: 14 37.143 2.226 0.902 0.863 1.000 0.769 CA 1.785 14 residues pruned to eliminate duplicates Z: 15 23.960 2.343 0.352 0.746 0.929 0.714 CA 1.747 15 residues pruned to eliminate duplicates Z: 40 32.337 2.039 0.651 0.652 0.923 0.692 CB 1.446 40 residues pruned to eliminate duplicates Z: 15 30.661 2.237 0.561 0.878 1.000 0.929 CA 1.702 15 residues pruned to eliminate duplicates Z: 15 16.823 2.005 0.660 0.521 0.929 0.643 CB 1.425 15 residues pruned to eliminate duplicates Z: 15 10.144 1.923 0.378 0.496 0.786 0.643 CB 1.307 15 residues pruned to eliminate duplicates Z: 34 29.055 2.014 0.723 0.642 0.909 0.727 CB 1.404 34 residues pruned to eliminate duplicates Z: 12 16.822 2.217 0.831 0.405 0.909 0.818 CB 1.519 12 residues pruned to eliminate duplicates Z: 6 8.193 1.566 1.070 0.813 1.000 0.600 CA 0.861 6 residues pruned to eliminate duplicates Z: 96 52.007 2.203 0.788 0.529 0.905 0.568 CB 1.455 171 residues pruned to eliminate duplicates Z: 15 30.391 2.268 0.690 0.918 1.000 0.929 CB 1.495 15 residues pruned to eliminate duplicates Z: 11 21.995 2.135 0.863 0.732 0.800 0.800 CB 1.775 11 residues pruned to eliminate duplicates Z: 20 24.976 2.246 0.598 0.737 0.895 0.579 CB 1.443 20 residues pruned to eliminate duplicates Z: 9 7.083 1.749 -0.050 0.692 0.875 0.625 CB 1.446 Z: 13 35.471 2.254 0.934 0.858 1.000 0.417 CB 1.730 Z: 29 21.288 1.962 0.610 0.489 0.929 0.679 CB 1.388 29 residues pruned to eliminate duplicates Z: 8 10.913 1.822 0.608 0.896 0.857 0.857 CB 1.177 8 residues pruned to eliminate duplicates Z: 17 25.816 1.923 0.729 0.916 1.000 0.625 CB 1.371 17 residues pruned to eliminate duplicates Z: 65 51.035 2.246 0.827 0.604 0.906 0.609 CB 1.554 14 residues pruned to eliminate duplicates Z: 18 31.345 2.044 0.747 0.913 1.000 0.824 CB 1.508 18 residues pruned to eliminate duplicates Z: 12 10.300 1.864 0.852 0.576 0.909 0.727 CB 0.920 Z: 33 25.219 2.080 0.632 0.621 0.875 0.625 CB 1.340 33 residues pruned to eliminate duplicates Z: 18 31.435 2.037 0.754 0.900 1.000 0.765 CB 1.524 18 residues pruned to eliminate duplicates Z: 117 56.266 2.182 0.653 0.551 0.905 0.612 CB 1.523 117 residues pruned to eliminate duplicates Z: 9 9.915 1.841 0.581 0.701 0.875 0.500 CA 1.146 9 residues pruned to eliminate duplicates Z: 19 15.530 2.167 0.466 0.481 0.833 0.444 CB 1.409 19 residues pruned to eliminate duplicates Z: 25 21.787 1.984 0.643 0.565 0.917 0.750 CB 1.397 25 residues pruned to eliminate duplicates Z: 35 34.454 2.151 0.531 0.863 0.912 0.647 CB 1.444 35 residues pruned to eliminate duplicates Z: 11 12.973 1.824 0.589 0.765 0.900 0.700 CA 1.244 12 residues pruned to eliminate duplicates Z: 17 22.445 1.896 0.524 0.933 1.000 0.812 CB 1.355 17 residues pruned to eliminate duplicates Z: 6 3.896 1.546 0.367 0.630 1.000 0.600 N 0.730 Z: 15 27.502 2.363 0.587 0.796 0.929 0.714 CB 1.629 15 residues pruned to eliminate duplicates Z: 12 14.843 2.073 0.810 0.891 0.909 0.636 CB 0.944 12 residues pruned to eliminate duplicates Z: 17 25.446 1.886 0.774 0.909 1.000 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 34 26.937 2.193 0.602 0.517 0.848 0.667 CB 1.548 34 residues pruned to eliminate duplicates Z: 20 42.148 2.302 0.837 0.915 1.000 0.842 CB 1.616 20 residues pruned to eliminate duplicates Z: 16 19.542 2.290 0.585 0.448 0.933 0.600 CB 1.571 16 residues pruned to eliminate duplicates Z: 18 22.476 1.843 0.515 0.906 1.000 0.882 CB 1.389 18 residues pruned to eliminate duplicates Z: 7 17.572 2.017 0.770 0.696 1.000 0.833 CA 1.680 7 residues pruned to eliminate duplicates Z: 15 22.009 2.063 0.911 0.721 0.857 0.571 CB 1.425 15 residues pruned to eliminate duplicates Z: 14 25.676 2.060 0.903 0.859 0.923 0.692 CB 1.448 14 residues pruned to eliminate duplicates Z: 21 41.580 2.198 0.937 0.917 0.950 0.750 CB 1.622 21 residues pruned to eliminate duplicates Z: 18 30.270 2.020 0.809 0.884 0.941 0.706 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 35.359 2.014 1.019 0.936 1.000 0.765 CB 1.469 18 residues pruned to eliminate duplicates Z: 13 24.656 2.076 0.818 0.895 0.917 0.583 CB 1.475 20 residues pruned to eliminate duplicates Z: 16 13.962 1.839 0.665 0.515 0.867 0.667 CB 1.338 16 residues pruned to eliminate duplicates Z: 16 23.195 2.223 0.767 0.758 0.733 0.533 CA 1.653 16 residues pruned to eliminate duplicates Z: 7 4.169 1.626 0.387 0.733 1.000 0.500 CB 0.612 Z: 10 8.633 1.920 0.426 0.400 0.889 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 33 27.229 2.193 0.678 0.530 0.844 0.469 CB 1.505 33 residues pruned to eliminate duplicates Z: 99 55.079 2.163 0.784 0.579 0.908 0.592 CB 1.472 99 residues pruned to eliminate duplicates Z: 50 48.406 2.293 0.852 0.642 0.898 0.592 CB 1.588 50 residues pruned to eliminate duplicates Z: 24 41.418 2.436 0.734 0.637 0.957 0.739 CA 1.879 24 residues pruned to eliminate duplicates Z: 18 25.428 2.053 0.511 0.909 0.941 0.941 CA 1.499 18 residues pruned to eliminate duplicates Z: 21 49.866 2.372 0.914 0.915 1.000 0.850 CA 1.736 21 residues pruned to eliminate duplicates Z: 30 23.183 1.954 0.603 0.593 0.966 0.690 CB 1.302 30 residues pruned to eliminate duplicates Z: 52 44.038 2.285 0.526 0.668 0.941 0.667 CB 1.609 52 residues pruned to eliminate duplicates Z: 16 29.577 2.098 0.923 0.789 0.933 0.533 CB 1.573 16 residues pruned to eliminate duplicates Z: 36 41.516 2.261 0.548 0.850 0.914 0.543 CB 1.624 36 residues pruned to eliminate duplicates Z: 18 19.481 2.117 0.704 0.488 0.882 0.588 CB 1.502 18 residues pruned to eliminate duplicates Z: 7 8.441 1.893 0.286 0.523 1.000 0.667 CB 1.384 7 residues pruned to eliminate duplicates Z: 7 11.780 1.882 0.631 0.875 0.833 0.667 CB 1.367 7 residues pruned to eliminate duplicates Z: 27 40.689 2.192 1.062 0.654 0.962 0.615 CB 1.592 27 residues pruned to eliminate duplicates Z: 14 16.775 2.176 0.949 0.415 0.769 0.385 CA 1.559 14 residues pruned to eliminate duplicates Z: 16 19.010 2.072 0.697 0.533 0.933 0.733 CA 1.448 16 residues pruned to eliminate duplicates Z: 16 32.943 2.064 0.989 0.866 1.000 0.667 CB 1.517 16 residues pruned to eliminate duplicates Z: 34 42.594 2.312 0.878 0.530 0.939 0.758 CA 1.766 36 residues pruned to eliminate duplicates Z: 15 26.253 2.129 0.970 0.793 0.786 0.429 CB 1.646 15 residues pruned to eliminate duplicates Z: 13 15.279 2.160 0.588 0.401 0.917 0.833 CB 1.557 13 residues pruned to eliminate duplicates Z: 16 14.181 1.791 0.333 0.922 0.933 0.800 CB 1.155 Z: 81 50.444 2.185 0.767 0.568 0.925 0.613 CB 1.479 81 residues pruned to eliminate duplicates Z: 15 12.928 1.832 0.157 0.873 1.000 0.786 CB 1.187 15 residues pruned to eliminate duplicates Z: 58 46.137 2.325 0.603 0.610 0.930 0.667 CB 1.589 58 residues pruned to eliminate duplicates Z: 39 36.257 2.247 0.721 0.460 0.921 0.605 CB 1.721 39 residues pruned to eliminate duplicates Z: 9 7.278 1.720 0.638 0.516 0.750 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 11 17.092 2.169 0.349 0.894 1.000 0.800 CB 1.325 11 residues pruned to eliminate duplicates Z: 30 34.057 2.277 0.747 0.621 0.897 0.517 CB 1.582 30 residues pruned to eliminate duplicates Z: 7 13.997 1.753 1.134 0.865 1.000 1.000 CB 1.119 Z: 56 46.847 2.280 0.576 0.647 0.982 0.655 CB 1.561 56 residues pruned to eliminate duplicates Z: 19 7.626 1.788 0.595 0.256 0.722 0.333 CB 1.155 19 residues pruned to eliminate duplicates Z: 19 24.863 2.014 0.897 0.557 1.000 0.556 CB 1.451 20 residues pruned to eliminate duplicates Z: 15 16.209 1.845 0.368 0.932 1.000 0.929 CB 1.199 15 residues pruned to eliminate duplicates Z: 19 21.886 2.177 0.573 0.523 0.833 0.556 CA 1.767 19 residues pruned to eliminate duplicates Z: 17 26.843 1.893 0.852 0.924 1.000 0.688 CB 1.344 17 residues pruned to eliminate duplicates Z: 19 29.488 2.447 0.812 0.592 0.833 0.556 CB 1.723 19 residues pruned to eliminate duplicates Z: 43 27.916 2.035 0.803 0.562 0.881 0.595 CB 1.255 43 residues pruned to eliminate duplicates Z: 27 39.836 2.181 1.111 0.663 0.962 0.654 CB 1.517 27 residues pruned to eliminate duplicates Z: 8 13.013 2.019 0.437 0.659 1.000 0.714 CB 1.462 8 residues pruned to eliminate duplicates Z: 19 7.242 1.596 0.521 0.308 0.722 0.500 CA 1.205 Z: 42 32.811 2.046 0.962 0.658 0.902 0.439 CB 1.221 42 residues pruned to eliminate duplicates Z: 20 31.352 2.338 0.635 0.592 1.000 0.684 CB 1.724 20 residues pruned to eliminate duplicates Z: 16 25.702 1.938 0.723 0.928 1.000 0.800 CB 1.392 16 residues pruned to eliminate duplicates Z: 56 35.648 2.065 0.650 0.590 0.909 0.618 CB 1.424 56 residues pruned to eliminate duplicates Z: 16 30.222 2.281 0.834 0.783 0.933 0.600 CB 1.558 16 residues pruned to eliminate duplicates Z: 20 21.305 1.955 0.845 0.534 0.947 0.684 CB 1.383 20 residues pruned to eliminate duplicates Z: 18 24.495 1.869 0.627 0.927 1.000 0.765 CB 1.369 18 residues pruned to eliminate duplicates Z: 14 27.990 2.276 0.636 0.899 1.000 0.923 CB 1.491 14 residues pruned to eliminate duplicates Z: 12 11.274 1.683 0.410 0.801 0.909 0.545 CA 1.211 11 residues pruned to eliminate duplicates Z: 29 34.779 2.103 0.877 0.704 0.929 0.607 CB 1.489 29 residues pruned to eliminate duplicates Z: 14 18.283 2.180 0.760 0.443 1.000 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 9 11.947 2.032 0.508 0.492 1.000 0.875 CB 1.389 9 residues pruned to eliminate duplicates Z: 20 23.851 2.091 0.698 0.479 1.000 0.737 CB 1.573 21 residues pruned to eliminate duplicates Z: 16 10.364 1.923 0.538 0.423 0.933 0.533 CB 1.050 Z: 17 11.870 1.948 0.017 0.829 1.000 0.750 CB 1.127 Z: 14 9.808 2.040 0.797 0.302 0.692 0.615 CA 1.336 14 residues pruned to eliminate duplicates Z: 11 19.091 2.029 0.861 0.609 0.900 0.900 CB 1.602 11 residues pruned to eliminate duplicates Z: 6 5.017 1.661 0.906 0.483 0.800 0.400 C 0.901 6 residues pruned to eliminate duplicates Z: 15 27.421 2.071 0.685 0.932 1.000 0.714 CB 1.466 15 residues pruned to eliminate duplicates Z: 16 11.640 1.782 0.192 0.855 0.933 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 6 3.372 1.574 0.434 0.297 0.800 0.600 CB 1.048 Z: 7 4.758 1.661 0.770 0.515 0.667 0.333 CB 0.977 7 residues pruned to eliminate duplicates Z: 18 25.791 1.928 0.580 0.898 1.000 0.882 CB 1.469 18 residues pruned to eliminate duplicates Z: 15 11.002 1.840 -0.102 0.934 1.000 0.929 CB 1.241 16 residues pruned to eliminate duplicates Z: 8 10.279 2.016 0.768 0.606 0.857 0.571 CB 1.150 8 residues pruned to eliminate duplicates Z: 26 17.297 2.046 0.705 0.450 0.840 0.560 CB 1.242 26 residues pruned to eliminate duplicates Z: 6 5.023 1.738 -0.034 0.715 1.000 0.800 CB 1.101 Z: 13 11.612 1.974 0.954 0.387 0.750 0.500 CB 1.306 13 residues pruned to eliminate duplicates Z: 11 17.605 2.069 0.863 0.506 1.000 0.400 CA 1.436 11 residues pruned to eliminate duplicates Z: 25 24.711 1.979 0.817 0.612 0.958 0.667 CB 1.316 27 residues pruned to eliminate duplicates Z: 27 20.580 1.968 0.684 0.529 0.846 0.692 CB 1.398 27 residues pruned to eliminate duplicates Z: 13 29.532 2.386 0.909 0.625 0.917 0.583 CB 1.815 13 residues pruned to eliminate duplicates Z: 16 20.992 2.085 0.300 0.905 1.000 0.933 CB 1.424 16 residues pruned to eliminate duplicates Z: 12 18.433 1.990 0.535 0.671 1.000 0.727 CB 1.554 10 residues pruned to eliminate duplicates Z: 17 22.333 1.880 0.691 0.922 0.938 0.750 CB 1.317 17 residues pruned to eliminate duplicates Z: 43 27.803 1.944 0.741 0.550 0.881 0.571 CB 1.370 43 residues pruned to eliminate duplicates Z: 14 21.226 2.146 0.706 0.534 1.000 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 8 11.067 1.781 0.435 0.883 1.000 0.429 CB 1.183 8 residues pruned to eliminate duplicates Z: 29 32.716 2.227 0.704 0.635 0.893 0.714 CB 1.609 29 residues pruned to eliminate duplicates Z: 12 7.646 1.814 0.548 0.281 0.818 0.545 CA 1.285 12 residues pruned to eliminate duplicates Z: 19 25.002 1.968 0.464 0.943 0.944 0.944 CA 1.500 19 residues pruned to eliminate duplicates Z: 19 22.812 2.239 0.941 0.383 0.778 0.556 CB 1.801 19 residues pruned to eliminate duplicates Z: 36 37.465 2.341 0.595 0.608 0.914 0.771 CB 1.674 36 residues pruned to eliminate duplicates Z: 23 27.959 2.311 0.646 0.529 0.909 0.636 CA 1.675 23 residues pruned to eliminate duplicates Z: 17 12.973 1.893 0.657 0.539 0.812 0.688 CB 1.226 17 residues pruned to eliminate duplicates Z: 29 26.925 2.033 0.668 0.642 0.964 0.643 CB 1.363 29 residues pruned to eliminate duplicates Z: 51 34.214 2.072 0.652 0.585 0.940 0.620 CB 1.386 51 residues pruned to eliminate duplicates Z: 28 42.664 2.417 0.750 0.683 0.963 0.667 CB 1.705 28 residues pruned to eliminate duplicates Z: 8 2.081 1.513 0.326 0.216 0.714 0.286 N 0.766 Z: 23 12.996 1.905 0.513 0.430 0.864 0.545 CB 1.196 15 residues pruned to eliminate duplicates Z: 7 9.585 2.021 0.150 0.811 1.000 0.667 CA 1.284 7 residues pruned to eliminate duplicates Z: 14 19.854 1.987 0.841 0.619 0.923 0.846 CB 1.457 14 residues pruned to eliminate duplicates Z: 14 33.549 2.352 0.741 0.851 1.000 0.769 CB 1.681 14 residues pruned to eliminate duplicates Z: 18 16.558 2.071 0.599 0.453 0.824 0.529 CB 1.545 18 residues pruned to eliminate duplicates Z: 18 14.259 2.025 0.542 0.417 0.882 0.647 CB 1.370 7 residues pruned to eliminate duplicates Z: 37 30.968 2.090 0.436 0.840 0.944 0.806 CB 1.359 37 residues pruned to eliminate duplicates Z: 37 38.045 2.079 0.648 0.850 1.000 0.583 CB 1.371 37 residues pruned to eliminate duplicates Z: 94 54.290 2.249 0.586 0.585 0.935 0.602 CB 1.554 94 residues pruned to eliminate duplicates Z: 20 22.604 1.882 0.872 0.531 1.000 0.632 CB 1.428 21 residues pruned to eliminate duplicates Z: 9 2.080 1.544 0.237 0.183 0.625 0.375 N 0.902 Z: 27 28.616 2.271 0.651 0.488 0.885 0.654 CB 1.713 35 residues pruned to eliminate duplicates Z: 24 23.581 2.117 0.769 0.652 0.870 0.696 CB 1.310 24 residues pruned to eliminate duplicates Z: 16 14.219 1.788 0.252 0.885 1.000 0.867 CB 1.184 15 residues pruned to eliminate duplicates Z: 15 20.489 2.104 0.639 0.505 1.000 0.786 CA 1.579 15 residues pruned to eliminate duplicates Z: 15 13.853 1.823 0.684 0.560 0.929 0.643 CB 1.226 15 residues pruned to eliminate duplicates Z: 14 18.791 2.062 0.948 0.592 0.846 0.692 CB 1.404 14 residues pruned to eliminate duplicates Z: 14 18.016 1.910 0.967 0.596 0.923 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 19 24.050 2.087 0.613 0.868 0.944 0.611 CB 1.304 19 residues pruned to eliminate duplicates Z: 6 22.681 2.554 0.866 0.696 1.000 1.000 CA 1.779 6 residues pruned to eliminate duplicates Z: 16 24.516 1.943 0.619 0.940 1.000 0.933 CB 1.396 16 residues pruned to eliminate duplicates Z: 38 39.412 2.088 0.835 0.676 0.946 0.676 CB 1.519 38 residues pruned to eliminate duplicates Z: 16 24.282 1.945 0.569 0.929 1.000 0.933 CB 1.439 16 residues pruned to eliminate duplicates Z: 7 2.531 1.721 -0.123 0.395 0.667 0.667 C 1.146 Z: 6 2.660 2.065 -0.484 0.568 1.000 0.600 CB 1.046 Z: 15 37.700 2.374 0.727 0.865 1.000 0.857 CA 1.801 15 residues pruned to eliminate duplicates Z: 85 48.089 2.144 0.716 0.581 0.917 0.560 CB 1.439 85 residues pruned to eliminate duplicates Z: 6 2.193 1.853 0.327 0.466 0.800 0.800 CB 0.516 6 residues pruned to eliminate duplicates Z: 7 8.450 1.740 0.322 0.886 1.000 0.833 CB 1.083 7 residues pruned to eliminate duplicates Z: 21 49.664 2.407 0.754 0.928 1.000 0.850 CA 1.842 21 residues pruned to eliminate duplicates Z: 10 15.231 1.996 0.655 0.648 1.000 0.667 CB 1.338 14 residues pruned to eliminate duplicates Z: 15 24.088 1.971 1.003 0.832 0.857 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 12 5.549 1.557 0.237 0.416 0.727 0.455 C 1.304 9 residues pruned to eliminate duplicates Z: 7 6.221 1.536 0.628 0.700 1.000 0.667 CB 0.846 Z: 6 3.208 1.419 0.308 0.394 0.800 0.400 O 1.082 Z: 9 8.132 1.762 1.080 0.610 0.750 0.625 N 0.942 28 residues pruned to eliminate duplicates Z: 11 30.722 2.184 0.985 0.895 1.000 0.800 CB 1.607 11 residues pruned to eliminate duplicates Z: 12 9.966 1.958 0.559 0.469 0.818 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 35 34.313 2.193 0.766 0.642 0.912 0.559 CB 1.459 35 residues pruned to eliminate duplicates Z: 9 4.051 1.553 0.324 0.374 0.875 0.750 O 0.911 Z: 15 24.996 2.304 0.802 0.813 0.857 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 14 24.293 2.180 0.520 0.886 1.000 0.923 CB 1.467 14 residues pruned to eliminate duplicates Z: 8 7.809 1.975 0.295 0.637 0.857 0.714 CB 1.185 8 residues pruned to eliminate duplicates Z: 39 33.389 2.126 0.809 0.640 0.868 0.684 CB 1.423 39 residues pruned to eliminate duplicates Z: 6 3.601 1.606 0.355 0.437 0.600 0.400 CB 1.317 Z: 8 2.794 1.289 0.541 0.267 0.714 0.429 CA 0.970 4 residues pruned to eliminate duplicates Z: 7 7.254 1.848 0.426 0.647 0.833 0.500 CB 1.176 5 residues pruned to eliminate duplicates Z: 7 10.514 1.989 0.965 0.397 0.833 0.333 CB 1.469 Z: 14 18.635 2.103 0.485 0.596 0.923 0.615 CB 1.636 14 residues pruned to eliminate duplicates Z: 23 17.496 1.904 0.730 0.395 0.864 0.455 CB 1.465 23 residues pruned to eliminate duplicates Z: 7 5.346 2.059 0.274 0.206 0.833 0.333 CB 1.415 7 residues pruned to eliminate duplicates Z: 13 7.158 1.601 0.309 0.566 0.750 0.500 CB 1.233 Z: 28 14.293 1.806 0.481 0.497 0.852 0.667 CB 1.211 28 residues pruned to eliminate duplicates Z: 16 20.313 1.884 0.527 0.925 1.000 0.933 CB 1.279 16 residues pruned to eliminate duplicates Z: 17 28.054 2.092 0.822 0.934 0.938 0.500 CB 1.369 17 residues pruned to eliminate duplicates Z: 12 21.708 2.410 0.370 0.844 0.909 0.818 CB 1.623 12 residues pruned to eliminate duplicates Z: 33 34.232 2.229 0.693 0.550 0.875 0.688 CB 1.746 33 residues pruned to eliminate duplicates Z: 57 46.884 2.186 0.751 0.580 0.946 0.732 CB 1.601 57 residues pruned to eliminate duplicates Z: 7 3.491 1.318 0.518 0.483 0.667 0.500 N 1.087 7 residues pruned to eliminate duplicates Z: 28 23.898 2.028 0.933 0.394 0.852 0.444 CA 1.540 46 residues pruned to eliminate duplicates Z: 33 32.846 2.163 1.036 0.496 0.844 0.594 CB 1.570 33 residues pruned to eliminate duplicates Z: 14 30.548 2.259 0.954 0.822 0.923 0.692 CB 1.573 14 residues pruned to eliminate duplicates Z: 16 24.411 2.031 0.795 0.838 1.000 0.667 CB 1.292 16 residues pruned to eliminate duplicates Z: 32 30.691 2.323 0.727 0.515 0.806 0.613 CB 1.679 32 residues pruned to eliminate duplicates Z: 7 9.525 1.822 0.459 0.758 1.000 0.833 CB 1.163 7 residues pruned to eliminate duplicates Z: 37 28.387 2.035 0.728 0.509 0.917 0.667 CB 1.455 39 residues pruned to eliminate duplicates Z: 76 47.213 2.183 0.713 0.585 0.893 0.560 CB 1.505 76 residues pruned to eliminate duplicates 7 1.823 1.598 0.181 0.395 0.500 0.333 CB 0.881 ? Z: 14 16.484 2.025 0.497 0.520 0.923 0.462 CB 1.602 14 residues pruned to eliminate duplicates Z: 13 13.048 1.795 0.796 0.615 0.833 0.583 CB 1.257 13 residues pruned to eliminate duplicates Z: 13 5.152 1.731 -0.029 0.517 0.833 0.667 CB 1.043 7 residues pruned to eliminate duplicates Z: 8 2.590 1.589 -0.159 0.412 0.714 0.429 N 1.124 Z: 22 24.885 2.095 0.336 0.884 0.952 0.762 CB 1.471 22 residues pruned to eliminate duplicates Z: 16 13.589 1.804 0.174 0.921 1.000 0.800 CB 1.166 16 residues pruned to eliminate duplicates Z: 16 32.733 2.201 0.856 0.863 1.000 0.667 CB 1.518 16 residues pruned to eliminate duplicates Z: 15 19.312 2.071 0.193 0.915 0.929 0.786 CB 1.590 15 residues pruned to eliminate duplicates Z: 14 18.440 2.133 0.787 0.389 1.000 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 6 3.683 1.897 -0.264 0.617 1.000 0.600 CB 1.056 Z: 52 38.774 2.204 0.838 0.556 0.882 0.588 CB 1.438 52 residues pruned to eliminate duplicates Z: 10 25.794 2.487 0.570 0.850 1.000 0.667 CA 1.631 10 residues pruned to eliminate duplicates Z: 13 19.889 1.957 0.742 0.866 0.917 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 19 25.271 1.957 0.450 0.932 1.000 0.889 CA 1.466 19 residues pruned to eliminate duplicates Z: 45 32.705 2.234 0.773 0.398 0.886 0.500 CB 1.565 45 residues pruned to eliminate duplicates Z: 11 11.754 1.880 0.497 0.731 0.900 0.800 CB 1.192 11 residues pruned to eliminate duplicates Z: 16 22.949 1.973 0.418 0.858 1.000 0.933 CB 1.560 16 residues pruned to eliminate duplicates Z: 20 19.025 1.920 0.856 0.496 0.947 0.737 CB 1.299 Z: 32 44.689 2.397 0.769 0.606 0.968 0.742 CB 1.769 32 residues pruned to eliminate duplicates Z: 6 8.248 1.740 0.336 0.728 1.000 0.800 CB 1.292 Z: 20 44.664 2.213 1.044 0.922 1.000 0.737 CB 1.593 20 residues pruned to eliminate duplicates Z: 15 18.266 2.127 0.151 0.932 1.000 0.929 CB 1.392 15 residues pruned to eliminate duplicates Z: 8 5.970 1.708 0.528 0.466 0.857 0.429 CB 1.044 Z: 13 12.945 2.047 0.644 0.894 0.833 0.750 CB 0.956 13 residues pruned to eliminate duplicates Z: 14 20.674 2.323 0.556 0.807 0.846 0.538 CB 1.435 14 residues pruned to eliminate duplicates 6 0.424 1.292 0.445 0.217 0.800 0.600 CB 0.177 ? Z: 14 14.420 1.926 0.685 0.528 0.846 0.615 CB 1.416 13 residues pruned to eliminate duplicates Z: 12 22.127 2.034 1.209 0.917 0.909 0.909 CB 1.153 12 residues pruned to eliminate duplicates Z: 7 10.186 2.005 0.323 0.594 1.000 0.833 CA 1.433 7 residues pruned to eliminate duplicates Z: 29 42.696 2.423 0.799 0.571 0.964 0.679 CB 1.794 29 residues pruned to eliminate duplicates Z: 17 24.055 1.871 0.762 0.897 1.000 0.688 CB 1.306 17 residues pruned to eliminate duplicates Z: 17 22.700 1.902 0.694 0.916 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 16 22.943 1.921 0.443 0.896 1.000 0.933 CA 1.532 16 residues pruned to eliminate duplicates Z: 34 32.916 2.319 0.660 0.521 0.939 0.576 CB 1.552 34 residues pruned to eliminate duplicates Z: 41 36.480 2.127 0.993 0.648 0.875 0.500 CB 1.354 41 residues pruned to eliminate duplicates Z: 18 13.979 1.653 0.478 0.853 0.941 0.706 CB 1.089 16 residues pruned to eliminate duplicates Z: 27 26.546 2.218 0.601 0.500 0.885 0.500 CB 1.658 27 residues pruned to eliminate duplicates Z: 76 48.746 2.192 0.827 0.544 0.893 0.520 CB 1.507 76 residues pruned to eliminate duplicates Z: 12 13.603 1.858 0.556 0.585 0.909 0.636 CB 1.439 12 residues pruned to eliminate duplicates Z: 16 15.707 1.788 0.437 0.894 1.000 0.667 CB 1.132 16 residues pruned to eliminate duplicates Z: 6 3.605 1.569 0.382 0.492 1.000 0.600 CB 0.750 Z: 14 34.279 2.184 0.903 0.837 1.000 0.538 CB 1.711 14 residues pruned to eliminate duplicates Z: 38 49.924 2.336 0.734 0.860 0.919 0.784 CB 1.622 38 residues pruned to eliminate duplicates Z: 7 17.623 2.243 0.927 0.614 1.000 0.500 CA 1.493 7 residues pruned to eliminate duplicates Z: 16 17.746 1.773 0.562 0.938 1.000 0.800 CB 1.151 16 residues pruned to eliminate duplicates Z: 21 20.501 2.123 0.490 0.593 1.000 0.550 CB 1.325 21 residues pruned to eliminate duplicates Z: 16 28.173 2.073 0.582 0.941 1.000 0.333 CB 1.539 16 residues pruned to eliminate duplicates Z: 25 24.071 2.024 0.839 0.530 0.958 0.667 CB 1.337 25 residues pruned to eliminate duplicates Z: 10 10.332 1.692 0.753 0.721 0.889 0.889 CB 1.069 10 residues pruned to eliminate duplicates Z: 37 44.179 2.337 0.572 0.844 0.917 0.694 CB 1.627 37 residues pruned to eliminate duplicates Z: 31 30.394 2.140 0.807 0.618 0.900 0.700 CB 1.426 31 residues pruned to eliminate duplicates Z: 36 32.412 2.264 0.728 0.536 0.914 0.629 CB 1.478 36 residues pruned to eliminate duplicates Z: 33 28.309 2.237 0.506 0.557 0.875 0.719 CB 1.607 33 residues pruned to eliminate duplicates Z: 114 62.324 2.178 0.813 0.594 0.920 0.584 CB 1.475 114 residues pruned to eliminate duplicates Z: 16 23.230 1.955 0.675 0.945 0.933 0.867 CB 1.358 16 residues pruned to eliminate duplicates Z: 13 17.957 2.023 0.836 0.568 0.917 0.667 CB 1.426 14 residues pruned to eliminate duplicates Z: 37 41.141 2.135 0.762 0.852 0.944 0.694 CB 1.428 37 residues pruned to eliminate duplicates Z: 39 45.529 2.265 0.612 0.859 0.947 0.763 CB 1.571 39 residues pruned to eliminate duplicates Z: 13 8.220 1.753 0.476 0.609 0.833 0.583 N 0.992 13 residues pruned to eliminate duplicates Z: 31 31.101 2.258 0.749 0.487 0.867 0.567 CB 1.681 31 residues pruned to eliminate duplicates Z: 52 31.282 2.143 0.535 0.630 0.863 0.647 CB 1.366 52 residues pruned to eliminate duplicates Z: 10 8.904 1.887 0.411 0.444 0.889 0.556 CA 1.329 10 residues pruned to eliminate duplicates Z: 14 12.555 2.024 0.688 0.348 0.846 0.615 CB 1.420 14 residues pruned to eliminate duplicates Z: 18 12.377 2.007 0.564 0.356 0.882 0.588 CB 1.266 18 residues pruned to eliminate duplicates Z: 10 13.830 1.965 0.913 0.644 0.889 0.778 CB 1.206 11 residues pruned to eliminate duplicates Z: 24 26.026 2.014 0.850 0.582 0.957 0.739 CB 1.407 24 residues pruned to eliminate duplicates Z: 7 16.547 2.465 0.425 0.725 1.000 0.667 CA 1.570 7 residues pruned to eliminate duplicates Z: 18 11.637 1.890 0.278 0.493 0.882 0.471 CB 1.333 18 residues pruned to eliminate duplicates Z: 9 8.373 1.888 0.233 0.426 1.000 0.500 CA 1.374 9 residues pruned to eliminate duplicates Z: 24 13.811 1.995 0.310 0.563 0.826 0.609 CB 1.254 24 residues pruned to eliminate duplicates Z: 21 25.423 2.270 0.816 0.417 0.850 0.450 CA 1.770 21 residues pruned to eliminate duplicates Z: 8 8.197 1.746 0.988 0.800 1.000 0.857 CB 0.687 Z: 17 28.552 2.220 0.649 0.787 0.875 0.562 CB 1.731 17 residues pruned to eliminate duplicates Z: 16 18.586 1.909 0.320 0.875 1.000 0.800 CB 1.385 16 residues pruned to eliminate duplicates Z: 41 32.197 2.159 0.879 0.534 0.850 0.600 CB 1.428 41 residues pruned to eliminate duplicates Z: 10 13.415 1.970 0.282 0.835 1.000 0.667 CA 1.326 10 residues pruned to eliminate duplicates Z: 8 3.458 1.733 0.230 0.351 0.714 0.429 CB 1.009 Z: 6 17.288 2.158 0.642 0.792 1.000 0.400 CA 1.689 6 residues pruned to eliminate duplicates Z: 13 12.656 1.881 0.454 0.554 1.000 0.833 CB 1.268 13 residues pruned to eliminate duplicates Z: 19 16.747 2.016 0.924 0.559 0.778 0.611 CB 1.235 19 residues pruned to eliminate duplicates Z: 7 13.522 1.873 0.591 0.846 1.000 0.667 CA 1.376 8 residues pruned to eliminate duplicates Z: 11 12.778 1.880 0.277 0.787 1.000 0.800 CA 1.308 11 residues pruned to eliminate duplicates Z: 28 31.853 2.068 1.047 0.580 0.889 0.593 CB 1.508 28 residues pruned to eliminate duplicates Z: 18 30.012 2.334 0.858 0.520 0.882 0.647 CA 1.865 18 residues pruned to eliminate duplicates Z: 37 36.248 2.255 0.723 0.582 0.889 0.694 CB 1.617 37 residues pruned to eliminate duplicates Z: 21 26.226 2.014 0.688 0.587 1.000 0.900 CB 1.588 21 residues pruned to eliminate duplicates Z: 7 6.006 1.570 0.015 0.694 1.000 0.833 C 1.289 7 residues pruned to eliminate duplicates Z: 26 27.793 2.009 0.905 0.698 0.920 0.600 CB 1.318 26 residues pruned to eliminate duplicates Z: 21 38.268 2.224 0.761 0.899 1.000 0.850 CB 1.561 21 residues pruned to eliminate duplicates Z: 21 17.463 2.059 0.183 0.801 0.900 0.750 CB 1.368 21 residues pruned to eliminate duplicates Z: 39 46.669 2.282 0.556 0.841 1.000 0.789 CB 1.590 39 residues pruned to eliminate duplicates Z: 39 24.880 2.033 0.707 0.508 0.895 0.526 CB 1.289 38 residues pruned to eliminate duplicates Z: 18 16.146 2.102 0.532 0.620 0.882 0.706 CB 1.230 18 residues pruned to eliminate duplicates Z: 10 7.653 1.950 0.570 0.270 0.778 0.444 CA 1.390 10 residues pruned to eliminate duplicates Z: 17 15.449 1.983 0.540 0.519 0.875 0.562 CB 1.418 17 residues pruned to eliminate duplicates Z: 6 2.326 1.494 0.232 0.513 0.800 0.800 C 0.697 6 residues pruned to eliminate duplicates Z: 16 13.442 1.958 0.546 0.713 0.867 0.533 CB 1.090 16 residues pruned to eliminate duplicates Z: 16 28.439 2.184 1.168 0.631 0.867 0.733 CB 1.583 16 residues pruned to eliminate duplicates Z: 59 44.301 2.179 0.904 0.537 0.897 0.517 CB 1.508 59 residues pruned to eliminate duplicates Z: 9 7.865 1.752 0.249 0.607 0.875 0.500 CB 1.311 9 residues pruned to eliminate duplicates Z: 16 16.133 1.777 0.596 0.911 0.933 0.400 CB 1.116 16 residues pruned to eliminate duplicates Z: 7 5.191 1.627 -0.100 0.684 1.000 0.833 CB 1.222 5 residues pruned to eliminate duplicates Z: 10 10.909 1.914 0.622 0.465 0.778 0.667 CA 1.561 10 residues pruned to eliminate duplicates Z: 55 34.514 2.062 0.611 0.626 0.907 0.704 CB 1.384 55 residues pruned to eliminate duplicates Z: 15 24.661 2.119 0.621 0.876 1.000 0.857 CB 1.395 15 residues pruned to eliminate duplicates Z: 64 51.861 2.257 0.853 0.578 0.937 0.683 CB 1.547 64 residues pruned to eliminate duplicates Z: 27 24.000 1.947 0.926 0.541 0.885 0.731 CB 1.364 27 residues pruned to eliminate duplicates Z: 25 34.530 2.199 0.745 0.696 1.000 0.792 CB 1.536 25 residues pruned to eliminate duplicates Z: 17 17.042 1.941 0.171 0.934 1.000 0.875 CB 1.307 17 residues pruned to eliminate duplicates Z: 14 11.902 1.875 0.070 0.937 1.000 0.923 CB 1.144 14 residues pruned to eliminate duplicates Z: 15 14.179 1.911 0.652 0.556 0.857 0.714 CB 1.326 15 residues pruned to eliminate duplicates Z: 18 14.168 1.813 0.733 0.446 0.941 0.588 CB 1.228 18 residues pruned to eliminate duplicates Z: 20 22.523 1.917 0.890 0.557 1.000 0.737 CB 1.350 19 residues pruned to eliminate duplicates Z: 11 7.769 1.647 0.544 0.584 1.000 0.700 CB 0.892 Z: 6 10.635 1.987 0.149 0.812 1.000 0.800 C 1.588 6 residues pruned to eliminate duplicates Z: 25 20.989 1.998 0.624 0.535 1.000 0.750 CB 1.276 25 residues pruned to eliminate duplicates Z: 15 11.769 2.099 0.419 0.358 0.786 0.286 CB 1.567 15 residues pruned to eliminate duplicates Z: 16 11.910 2.186 0.616 0.299 0.667 0.400 CB 1.634 16 residues pruned to eliminate duplicates Z: 11 11.930 1.774 0.295 0.874 1.000 0.800 CB 1.196 10 residues pruned to eliminate duplicates Z: 45 44.904 2.249 0.765 0.616 0.955 0.705 CB 1.602 45 residues pruned to eliminate duplicates Z: 20 15.238 2.041 0.516 0.313 0.947 0.526 CB 1.466 20 residues pruned to eliminate duplicates Z: 15 20.239 1.930 0.334 0.895 1.000 0.786 CB 1.506 15 residues pruned to eliminate duplicates Z: 8 5.204 2.058 -0.040 0.259 0.857 0.429 CB 1.529 8 residues pruned to eliminate duplicates Z: 6 2.799 1.647 0.055 0.509 0.800 0.400 CB 0.892 Z: 13 8.329 2.057 0.141 0.382 0.833 0.500 CB 1.394 13 residues pruned to eliminate duplicates Z: 72 50.574 2.218 0.830 0.528 0.915 0.549 CB 1.570 72 residues pruned to eliminate duplicates Z: 106 53.007 2.145 0.715 0.547 0.905 0.590 CB 1.484 106 residues pruned to eliminate duplicates Z: 29 33.295 2.308 0.724 0.603 0.893 0.536 CB 1.606 29 residues pruned to eliminate duplicates Z: 8 9.626 1.712 0.525 0.630 1.000 0.714 CA 1.233 8 residues pruned to eliminate duplicates Z: 22 27.748 2.317 0.641 0.600 0.905 0.714 CB 1.600 22 residues pruned to eliminate duplicates Z: 57 50.819 2.283 0.639 0.633 0.982 0.768 CB 1.631 57 residues pruned to eliminate duplicates Z: 22 27.097 2.076 0.764 0.793 0.905 0.571 CB 1.380 22 residues pruned to eliminate duplicates Z: 14 15.230 2.092 0.767 0.426 0.769 0.538 CB 1.603 14 residues pruned to eliminate duplicates Z: 24 14.988 1.770 0.555 0.584 0.913 0.739 CB 1.148 24 residues pruned to eliminate duplicates Z: 14 20.371 2.091 0.897 0.508 0.923 0.692 CB 1.532 14 residues pruned to eliminate duplicates Z: 9 3.983 1.759 0.120 0.561 0.875 0.500 CB 0.770 Z: 24 17.030 2.009 0.785 0.367 0.739 0.391 CB 1.546 24 residues pruned to eliminate duplicates Z: 72 49.810 2.222 0.812 0.589 0.901 0.662 CB 1.495 72 residues pruned to eliminate duplicates Z: 14 15.169 2.090 0.500 0.819 0.923 0.538 CB 1.103 14 residues pruned to eliminate duplicates Z: 6 16.074 2.015 0.719 0.741 1.000 0.800 CA 1.673 6 residues pruned to eliminate duplicates 6 1.061 1.369 0.109 0.337 1.000 0.400 CB 0.373 ? Z: 17 17.867 1.987 0.814 0.556 0.875 0.812 CB 1.341 17 residues pruned to eliminate duplicates Z: 15 13.986 1.848 0.196 0.919 1.000 0.929 CB 1.193 15 residues pruned to eliminate duplicates Z: 26 30.932 2.293 0.621 0.641 0.920 0.640 CB 1.586 26 residues pruned to eliminate duplicates Z: 40 33.609 2.231 0.735 0.535 0.872 0.590 CB 1.542 40 residues pruned to eliminate duplicates Z: 25 24.793 2.005 0.851 0.518 0.958 0.625 CB 1.397 25 residues pruned to eliminate duplicates 6 1.196 1.568 0.273 0.183 0.600 0.200 CB 0.654 ? Z: 38 45.111 2.345 0.541 0.858 0.919 0.811 CB 1.644 38 residues pruned to eliminate duplicates Z: 21 21.121 1.980 0.624 0.650 0.900 0.450 CB 1.419 21 residues pruned to eliminate duplicates Z: 31 31.001 2.292 0.562 0.605 0.933 0.700 CB 1.534 31 residues pruned to eliminate duplicates Z: 11 21.792 2.032 1.078 0.653 0.900 0.900 CB 1.573 11 residues pruned to eliminate duplicates Z: 10 5.612 1.726 0.246 0.400 1.000 0.556 CB 0.966 10 residues pruned to eliminate duplicates Z: 6 6.619 1.420 0.431 0.736 1.000 0.600 N 1.179 Z: 34 26.792 2.158 0.593 0.593 0.939 0.515 CB 1.321 34 residues pruned to eliminate duplicates Z: 9 3.826 1.448 0.444 0.634 0.625 0.375 CB 0.913 9 residues pruned to eliminate duplicates Z: 14 30.801 2.232 1.212 0.641 0.923 0.615 CA 1.643 14 residues pruned to eliminate duplicates Z: 11 10.220 1.805 0.098 0.872 1.000 1.000 CA 1.188 11 residues pruned to eliminate duplicates Z: 9 8.215 1.852 0.536 0.309 1.000 0.500 CA 1.262 9 residues pruned to eliminate duplicates Z: 8 10.038 1.771 0.626 0.636 0.857 0.571 CB 1.353 Z: 8 17.816 2.276 0.337 0.806 1.000 0.571 CA 1.694 8 residues pruned to eliminate duplicates Z: 15 12.310 1.819 0.339 0.834 0.929 0.714 CB 1.091 15 residues pruned to eliminate duplicates Z: 19 14.911 1.901 0.792 0.455 0.889 0.722 CB 1.216 19 residues pruned to eliminate duplicates Z: 86 57.768 2.347 0.749 0.528 0.894 0.565 CB 1.660 86 residues pruned to eliminate duplicates Z: 20 21.362 1.868 0.932 0.493 1.000 0.632 CB 1.368 20 residues pruned to eliminate duplicates Z: 30 40.094 2.213 0.857 0.566 1.000 0.621 CA 1.701 30 residues pruned to eliminate duplicates Z: 15 9.509 1.794 0.117 0.870 0.857 0.786 CB 1.080 15 residues pruned to eliminate duplicates Z: 6 2.316 1.448 0.601 0.373 1.000 0.600 CB 0.512 Z: 8 9.596 1.855 0.762 0.752 0.857 0.857 CB 1.034 10 residues pruned to eliminate duplicates Z: 25 20.058 1.999 0.685 0.524 0.875 0.708 CB 1.356 25 residues pruned to eliminate duplicates Z: 8 20.392 2.029 1.013 0.872 0.857 0.714 CB 1.605 8 residues pruned to eliminate duplicates Z: 16 27.668 2.083 0.557 0.940 0.933 0.867 CB 1.639 16 residues pruned to eliminate duplicates Z: 7 4.250 1.706 0.385 0.467 0.833 0.500 CB 0.911 Z: 18 12.800 2.031 0.329 0.457 0.882 0.588 CB 1.362 18 residues pruned to eliminate duplicates Z: 19 17.702 1.919 0.878 0.424 0.944 0.500 CB 1.328 19 residues pruned to eliminate duplicates Z: 28 43.095 2.420 0.732 0.634 1.000 0.667 CB 1.745 28 residues pruned to eliminate duplicates Z: 6 9.785 1.674 0.754 0.856 1.000 1.000 CB 1.098 Z: 9 3.696 1.697 0.844 0.387 0.750 0.375 CB 0.628 Z: 26 11.481 1.791 0.250 0.498 0.920 0.640 CB 1.117 26 residues pruned to eliminate duplicates Z: 11 6.917 1.635 0.461 0.311 1.000 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 7 11.338 1.631 1.419 0.450 1.000 0.333 CB 1.234 7 residues pruned to eliminate duplicates Z: 48 40.870 2.173 0.863 0.627 0.872 0.660 CB 1.498 48 residues pruned to eliminate duplicates Z: 19 41.528 2.379 0.855 0.887 0.944 0.833 CA 1.693 19 residues pruned to eliminate duplicates Z: 31 15.562 1.793 0.498 0.453 0.900 0.533 CB 1.233 31 residues pruned to eliminate duplicates Z: 10 2.576 1.629 0.168 0.224 0.556 0.333 C 1.121 10 residues pruned to eliminate duplicates Z: 14 27.287 2.083 0.640 0.893 1.000 0.846 CB 1.589 14 residues pruned to eliminate duplicates Z: 13 9.537 2.099 0.673 0.329 0.750 0.500 CB 1.260 20 residues pruned to eliminate duplicates Z: 6 9.972 1.694 0.721 0.818 1.000 0.800 CA 1.161 6 residues pruned to eliminate duplicates Z: 33 36.157 2.301 0.725 0.573 0.938 0.719 CB 1.601 33 residues pruned to eliminate duplicates Z: 8 7.827 1.798 0.540 0.810 1.000 0.857 CB 0.815 Z: 23 34.300 2.167 0.792 0.855 0.955 0.773 CB 1.456 23 residues pruned to eliminate duplicates Z: 13 20.636 2.245 0.333 0.731 0.917 0.583 CA 1.764 13 residues pruned to eliminate duplicates Z: 20 33.772 2.265 0.711 0.769 1.000 0.684 CB 1.576 20 residues pruned to eliminate duplicates Z: 8 4.422 1.334 0.754 0.382 0.714 0.429 C 1.135 Z: 13 4.873 1.857 0.033 0.182 0.750 0.667 CB 1.433 13 residues pruned to eliminate duplicates Z: 14 5.244 1.668 -0.104 0.581 0.923 0.615 CB 0.976 11 residues pruned to eliminate duplicates Z: 21 25.426 2.197 0.455 0.564 0.950 0.600 CA 1.761 21 residues pruned to eliminate duplicates Z: 16 35.765 2.240 1.061 0.783 0.933 0.533 CB 1.671 16 residues pruned to eliminate duplicates Z: 11 17.186 1.977 0.495 0.693 1.000 0.700 CA 1.541 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.621 1.962 0.388 0.479 1.000 0.750 CB 1.258 13 residues pruned to eliminate duplicates Z: 31 22.176 1.937 0.496 0.625 0.900 0.633 CB 1.379 31 residues pruned to eliminate duplicates Z: 11 11.334 1.998 0.414 0.534 0.900 0.500 CB 1.363 11 residues pruned to eliminate duplicates Z: 13 14.956 1.971 0.621 0.502 1.000 0.583 CB 1.349 10 residues pruned to eliminate duplicates Z: 6 4.696 1.761 0.731 0.463 0.600 0.400 CA 1.193 6 residues pruned to eliminate duplicates Z: 25 26.637 2.031 0.878 0.592 0.958 0.708 CB 1.362 25 residues pruned to eliminate duplicates Z: 7 5.920 1.408 0.903 0.533 0.833 0.667 CA 1.048 7 residues pruned to eliminate duplicates Z: 25 24.848 2.001 0.873 0.575 0.958 0.708 CB 1.314 25 residues pruned to eliminate duplicates Z: 25 24.663 2.036 0.885 0.572 0.875 0.667 CB 1.399 25 residues pruned to eliminate duplicates Z: 25 23.730 2.042 0.853 0.546 0.875 0.708 CB 1.398 25 residues pruned to eliminate duplicates Z: 31 20.326 1.931 0.802 0.437 0.900 0.600 CB 1.264 31 residues pruned to eliminate duplicates Z: 24 26.303 2.042 0.910 0.583 0.913 0.739 CB 1.423 24 residues pruned to eliminate duplicates Z: 27 19.872 1.904 0.772 0.499 0.846 0.615 CB 1.366 27 residues pruned to eliminate duplicates Z: 25 22.748 2.002 0.771 0.515 0.958 0.667 CB 1.345 25 residues pruned to eliminate duplicates Z: 25 21.289 2.023 0.679 0.518 0.917 0.708 CB 1.370 25 residues pruned to eliminate duplicates Z: 24 24.117 2.046 0.771 0.539 0.957 0.739 CB 1.396 24 residues pruned to eliminate duplicates Z: 25 22.843 2.036 0.751 0.533 0.917 0.708 CB 1.381 25 residues pruned to eliminate duplicates Z: 11 15.545 2.093 0.736 0.537 0.900 0.700 CB 1.450 11 residues pruned to eliminate duplicates Z: 25 26.910 2.049 0.861 0.558 0.958 0.667 CB 1.421 25 residues pruned to eliminate duplicates Z: 6 3.863 1.319 0.872 0.350 1.000 0.800 O 0.823 Z: 15 30.876 2.193 0.958 0.832 0.929 0.643 CB 1.553 15 residues pruned to eliminate duplicates Z: 64 57.434 2.271 0.909 0.604 0.952 0.683 CB 1.586 63 residues pruned to eliminate duplicates Z: 14 24.730 2.240 0.485 0.809 0.923 0.538 CA 1.707 15 residues pruned to eliminate duplicates Z: 15 23.255 2.127 0.627 0.768 0.929 0.571 CA 1.526 15 residues pruned to eliminate duplicates Z: 65 54.101 2.257 0.838 0.587 0.969 0.625 CB 1.548 65 residues pruned to eliminate duplicates Z: 65 56.756 2.258 0.984 0.614 0.891 0.672 CB 1.596 65 residues pruned to eliminate duplicates Z: 64 56.379 2.273 0.856 0.623 0.921 0.667 CB 1.628 63 residues pruned to eliminate duplicates Z: 14 31.070 2.262 0.940 0.834 0.846 0.692 CA 1.740 14 residues pruned to eliminate duplicates Z: 20 23.538 1.955 0.858 0.660 0.842 0.579 CA 1.522 20 residues pruned to eliminate duplicates Z: 66 55.349 2.268 0.935 0.582 0.938 0.523 CB 1.540 66 residues pruned to eliminate duplicates Z: 66 57.866 2.269 0.889 0.592 0.985 0.600 CB 1.558 66 residues pruned to eliminate duplicates Z: 75 51.730 2.226 0.903 0.573 0.892 0.595 CB 1.483 74 residues pruned to eliminate duplicates Z: 17 29.905 2.132 0.933 0.744 0.938 0.562 CB 1.556 17 residues pruned to eliminate duplicates Z: 37 32.816 2.166 0.956 0.509 0.889 0.611 CB 1.438 37 residues pruned to eliminate duplicates Z: 31 37.347 2.209 1.039 0.520 0.967 0.567 CB 1.535 31 residues pruned to eliminate duplicates Z: 65 55.668 2.266 0.853 0.599 0.953 0.656 CB 1.582 65 residues pruned to eliminate duplicates Z: 85 51.511 2.196 0.848 0.529 0.929 0.536 CB 1.450 85 residues pruned to eliminate duplicates Z: 73 50.612 2.235 0.761 0.582 0.917 0.625 CB 1.528 73 residues pruned to eliminate duplicates Z: 32 30.373 2.177 0.933 0.493 0.871 0.387 CB 1.498 32 residues pruned to eliminate duplicates Z: 14 14.272 2.232 0.872 0.334 0.692 0.462 CB 1.640 14 residues pruned to eliminate duplicates Z: 65 58.812 2.270 0.947 0.586 0.969 0.656 CB 1.581 65 residues pruned to eliminate duplicates Z: 72 54.159 2.244 0.982 0.578 0.887 0.592 CB 1.512 72 residues pruned to eliminate duplicates Z: 36 42.377 2.263 1.055 0.540 0.914 0.571 CB 1.619 36 residues pruned to eliminate duplicates Z: 64 55.865 2.274 0.873 0.599 0.937 0.651 CB 1.606 64 residues pruned to eliminate duplicates Z: 52 47.215 2.218 1.073 0.569 0.882 0.510 CB 1.524 52 residues pruned to eliminate duplicates Z: 64 57.960 2.280 0.897 0.613 0.937 0.571 CB 1.619 64 residues pruned to eliminate duplicates Z: 68 52.880 2.246 0.865 0.590 0.925 0.552 CB 1.529 68 residues pruned to eliminate duplicates Z: 65 53.389 2.269 0.916 0.598 0.906 0.656 CB 1.542 65 residues pruned to eliminate duplicates Z: 65 58.010 2.271 0.943 0.592 0.953 0.641 CB 1.579 65 residues pruned to eliminate duplicates Z: 65 52.614 2.264 0.869 0.596 0.906 0.578 CB 1.565 65 residues pruned to eliminate duplicates Z: 36 33.612 2.272 0.663 0.594 0.943 0.657 CB 1.458 36 residues pruned to eliminate duplicates Z: 65 55.635 2.258 0.889 0.594 0.953 0.594 CB 1.564 65 residues pruned to eliminate duplicates Z: 40 30.645 2.156 0.668 0.524 0.923 0.513 CB 1.443 40 residues pruned to eliminate duplicates Z: 36 32.179 2.220 0.745 0.547 0.886 0.571 CB 1.515 36 residues pruned to eliminate duplicates Z: 33 36.977 2.258 0.766 0.651 0.906 0.625 CB 1.572 33 residues pruned to eliminate duplicates Z: 65 56.095 2.251 0.969 0.603 0.938 0.609 CB 1.530 64 residues pruned to eliminate duplicates Z: 13 22.726 2.041 0.952 0.788 0.917 0.417 CB 1.395 13 residues pruned to eliminate duplicates Z: 35 35.644 2.241 0.707 0.628 0.941 0.588 CB 1.505 35 residues pruned to eliminate duplicates Z: 35 34.639 2.232 0.704 0.645 0.941 0.676 CB 1.449 35 residues pruned to eliminate duplicates Z: 35 36.730 2.249 0.694 0.640 1.000 0.588 CB 1.449 35 residues pruned to eliminate duplicates Z: 35 39.108 2.256 0.823 0.643 0.971 0.676 CB 1.469 35 residues pruned to eliminate duplicates Z: 36 36.927 2.276 0.760 0.641 0.943 0.543 CB 1.448 36 residues pruned to eliminate duplicates Z: 13 23.562 2.248 0.964 0.744 0.833 0.500 CB 1.485 13 residues pruned to eliminate duplicates Z: 76 53.764 2.181 0.856 0.564 0.960 0.533 CB 1.502 76 residues pruned to eliminate duplicates Z: 22 25.659 2.216 0.597 0.550 1.000 0.810 CB 1.508 22 residues pruned to eliminate duplicates Z: 35 36.353 2.249 0.810 0.626 0.941 0.618 CB 1.445 35 residues pruned to eliminate duplicates Z: 35 32.585 2.211 0.651 0.582 0.882 0.471 CB 1.603 35 residues pruned to eliminate duplicates Z: 36 35.959 2.205 0.834 0.617 0.943 0.600 CB 1.427 36 residues pruned to eliminate duplicates Z: 66 57.175 2.253 0.979 0.580 0.954 0.554 CB 1.544 66 residues pruned to eliminate duplicates Z: 34 37.761 2.226 0.864 0.621 0.939 0.636 CB 1.504 35 residues pruned to eliminate duplicates Z: 14 20.429 1.975 0.464 0.834 1.000 0.846 CB 1.469 14 residues pruned to eliminate duplicates Z: 66 56.535 2.246 0.982 0.598 0.938 0.569 CB 1.530 66 residues pruned to eliminate duplicates Z: 33 38.975 2.225 0.885 0.655 0.906 0.594 CB 1.569 33 residues pruned to eliminate duplicates Z: 64 61.505 2.266 0.985 0.626 0.968 0.651 CB 1.579 64 residues pruned to eliminate duplicates Z: 65 56.219 2.257 0.954 0.609 0.938 0.562 CB 1.533 65 residues pruned to eliminate duplicates Z: 64 55.956 2.259 0.929 0.613 0.937 0.508 CB 1.552 64 residues pruned to eliminate duplicates Z: 36 35.769 2.206 0.847 0.620 0.943 0.600 CB 1.405 36 residues pruned to eliminate duplicates Z: 35 38.745 2.240 0.954 0.654 0.941 0.500 CB 1.397 35 residues pruned to eliminate duplicates Z: 84 46.488 2.164 0.855 0.554 0.867 0.470 CB 1.390 84 residues pruned to eliminate duplicates Z: 66 52.969 2.239 0.891 0.600 0.923 0.569 CB 1.529 66 residues pruned to eliminate duplicates Z: 35 40.357 2.189 1.004 0.676 0.941 0.647 CB 1.425 34 residues pruned to eliminate duplicates Z: 6 5.711 1.864 0.365 0.278 1.000 0.600 CA 1.291 6 residues pruned to eliminate duplicates Z: 18 14.028 1.908 0.618 0.425 0.941 0.471 CB 1.266 18 residues pruned to eliminate duplicates Z: 15 9.643 1.806 0.407 0.377 0.929 0.500 CB 1.246 15 residues pruned to eliminate duplicates Z: 49 32.070 2.010 0.642 0.539 0.896 0.583 CB 1.506 49 residues pruned to eliminate duplicates Z: 32 39.062 2.125 0.810 0.719 0.935 0.774 CB 1.599 32 residues pruned to eliminate duplicates Z: 22 24.225 2.033 0.751 0.598 0.952 0.667 CB 1.420 22 residues pruned to eliminate duplicates Z: 39 36.181 2.051 0.627 0.699 1.000 0.658 CB 1.467 39 residues pruned to eliminate duplicates Z: 18 14.296 1.874 0.620 0.490 0.882 0.471 CB 1.308 18 residues pruned to eliminate duplicates Z: 24 27.506 2.063 0.695 0.586 1.000 0.652 CB 1.512 24 residues pruned to eliminate duplicates Z: 18 14.340 1.846 0.801 0.380 0.882 0.529 CB 1.346 18 residues pruned to eliminate duplicates Z: 18 15.865 1.882 0.677 0.543 0.941 0.588 CB 1.242 18 residues pruned to eliminate duplicates Z: 17 12.083 1.794 0.726 0.413 0.875 0.562 CB 1.220 17 residues pruned to eliminate duplicates Z: 8 4.685 1.772 -0.242 0.604 1.000 0.571 N 1.194 6 residues pruned to eliminate duplicates Z: 7 7.150 1.736 1.265 0.340 0.667 0.333 CA 1.326 Z: 7 3.884 1.673 0.156 0.190 0.833 0.333 CB 1.426 7 residues pruned to eliminate duplicates Z: 15 15.279 2.070 0.632 0.410 0.929 0.643 CB 1.430 15 residues pruned to eliminate duplicates Z: 16 15.508 1.972 0.674 0.412 0.933 0.667 CB 1.426 16 residues pruned to eliminate duplicates Z: 20 23.476 1.932 1.004 0.495 0.947 0.684 CB 1.476 20 residues pruned to eliminate duplicates Z: 7 15.618 1.944 0.831 0.866 1.000 0.833 CA 1.311 7 residues pruned to eliminate duplicates Z: 8 13.008 1.818 0.782 0.843 1.000 0.286 CB 1.129 7 residues pruned to eliminate duplicates Z: 8 12.758 1.826 0.688 0.872 1.000 0.857 CA 1.140 8 residues pruned to eliminate duplicates Z: 8 11.404 1.822 0.754 0.860 0.857 0.571 CB 1.157 8 residues pruned to eliminate duplicates Z: 10 19.567 1.973 1.082 0.681 1.000 0.889 CB 1.345 10 residues pruned to eliminate duplicates Z: 10 17.700 1.985 0.970 0.667 1.000 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 20 19.939 1.942 0.846 0.492 0.895 0.684 CB 1.437 20 residues pruned to eliminate duplicates Z: 20 22.753 1.944 0.955 0.505 0.947 0.632 CB 1.442 20 residues pruned to eliminate duplicates Z: 19 23.445 1.985 1.048 0.509 0.944 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 21 19.692 1.927 0.854 0.477 0.900 0.650 CB 1.402 21 residues pruned to eliminate duplicates Z: 23 19.715 1.853 0.879 0.472 0.955 0.682 CB 1.301 23 residues pruned to eliminate duplicates Z: 20 22.623 1.942 0.912 0.520 1.000 0.684 CB 1.370 21 residues pruned to eliminate duplicates Z: 6 4.741 1.421 0.623 0.452 1.000 0.800 CB 0.966 6 residues pruned to eliminate duplicates Z: 22 23.635 1.859 0.979 0.543 1.000 0.571 CB 1.345 20 residues pruned to eliminate duplicates Z: 17 24.618 1.980 0.573 0.870 0.938 0.812 CB 1.539 17 residues pruned to eliminate duplicates Z: 18 27.107 1.967 0.595 0.869 1.000 0.882 CB 1.531 18 residues pruned to eliminate duplicates Z: 18 27.430 1.975 0.610 0.889 1.000 0.824 CB 1.507 18 residues pruned to eliminate duplicates Z: 16 30.726 2.058 0.665 0.924 1.000 0.933 CB 1.626 16 residues pruned to eliminate duplicates Z: 17 28.623 2.043 0.571 0.914 1.000 0.875 CB 1.577 17 residues pruned to eliminate duplicates Z: 17 30.540 2.053 0.652 0.929 1.000 0.812 CB 1.576 17 residues pruned to eliminate duplicates Z: 18 26.965 1.970 0.600 0.875 1.000 0.882 CB 1.508 18 residues pruned to eliminate duplicates Z: 18 26.497 1.972 0.601 0.879 1.000 0.765 CB 1.476 18 residues pruned to eliminate duplicates Z: 18 26.932 1.943 0.641 0.873 1.000 0.824 CB 1.492 18 residues pruned to eliminate duplicates Z: 18 24.271 1.976 0.486 0.878 0.941 0.706 CB 1.546 18 residues pruned to eliminate duplicates Z: 17 29.608 2.045 0.755 0.918 0.938 0.812 CB 1.551 17 residues pruned to eliminate duplicates Z: 17 30.457 2.042 0.674 0.943 1.000 0.812 CB 1.544 17 residues pruned to eliminate duplicates Z: 17 30.361 2.035 0.711 0.936 1.000 0.500 CB 1.518 17 residues pruned to eliminate duplicates Z: 18 26.949 1.912 0.805 0.912 0.941 0.882 CB 1.425 17 residues pruned to eliminate duplicates Z: 17 27.449 2.013 0.683 0.911 1.000 0.500 CB 1.436 17 residues pruned to eliminate duplicates Z: 19 17.886 2.142 0.484 0.538 0.889 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 6 3.285 1.687 0.608 0.100 0.800 0.200 CA 1.129 6 residues pruned to eliminate duplicates Z: 16 18.807 2.283 0.533 0.422 0.933 0.600 CA 1.613 16 residues pruned to eliminate duplicates Z: 50 38.586 2.251 0.633 0.535 0.918 0.633 CB 1.576 93 residues pruned to eliminate duplicates Z: 17 15.727 2.147 0.569 0.427 0.812 0.625 CB 1.550 Z: 16 14.180 1.783 0.207 0.907 1.000 0.933 CB 1.210 16 residues pruned to eliminate duplicates Z: 15 15.070 1.842 0.365 0.833 1.000 0.857 CB 1.202 15 residues pruned to eliminate duplicates Z: 16 18.891 1.818 0.651 0.843 1.000 0.533 CB 1.210 16 residues pruned to eliminate duplicates Z: 15 17.575 1.860 0.493 0.940 1.000 0.786 CB 1.175 15 residues pruned to eliminate duplicates Z: 16 17.162 1.811 0.541 0.849 1.000 0.600 CB 1.177 16 residues pruned to eliminate duplicates Z: 15 17.707 1.827 0.604 0.850 1.000 0.429 CB 1.196 15 residues pruned to eliminate duplicates Z: 15 19.836 1.880 0.629 0.945 1.000 0.714 CB 1.198 16 residues pruned to eliminate duplicates Z: 15 17.752 1.853 0.528 0.903 1.000 0.357 CB 1.195 15 residues pruned to eliminate duplicates Z: 17 17.398 1.775 0.582 0.867 1.000 0.500 CB 1.133 17 residues pruned to eliminate duplicates Z: 16 18.261 1.812 0.620 0.846 1.000 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 16 17.342 1.789 0.713 0.868 0.933 0.400 CB 1.144 16 residues pruned to eliminate duplicates Z: 16 17.279 1.807 0.696 0.860 0.933 0.333 CB 1.147 16 residues pruned to eliminate duplicates Z: 16 17.027 1.814 0.636 0.874 0.933 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 16 19.980 1.805 0.723 0.933 1.000 0.733 CB 1.158 15 residues pruned to eliminate duplicates Z: 6 6.338 1.704 0.433 0.319 1.000 0.400 CB 1.416 6 residues pruned to eliminate duplicates Z: 26 34.946 2.430 0.701 0.464 0.960 0.400 CB 1.828 26 residues pruned to eliminate duplicates Z: 18 32.811 2.376 0.922 0.531 0.941 0.588 CA 1.797 18 residues pruned to eliminate duplicates Z: 20 33.373 2.431 0.968 0.466 0.842 0.421 CA 1.967 20 residues pruned to eliminate duplicates Z: 20 29.428 2.416 0.777 0.420 0.947 0.421 CB 1.804 20 residues pruned to eliminate duplicates Z: 31 32.188 2.382 0.667 0.421 0.900 0.333 CB 1.785 31 residues pruned to eliminate duplicates Z: 30 34.835 2.428 0.921 0.429 0.862 0.345 CB 1.732 30 residues pruned to eliminate duplicates Z: 32 33.179 2.363 0.725 0.395 0.903 0.452 CB 1.808 32 residues pruned to eliminate duplicates Z: 23 24.181 2.226 0.679 0.395 0.955 0.591 CB 1.616 23 residues pruned to eliminate duplicates Z: 26 30.884 2.339 0.717 0.432 0.880 0.440 CA 1.874 26 residues pruned to eliminate duplicates Z: 21 29.316 2.420 0.731 0.473 0.900 0.500 CB 1.787 21 residues pruned to eliminate duplicates Z: 25 40.362 2.464 0.898 0.493 0.917 0.375 CB 1.935 25 residues pruned to eliminate duplicates Z: 36 31.384 2.255 0.738 0.405 0.914 0.429 CB 1.635 36 residues pruned to eliminate duplicates Z: 12 12.349 2.434 0.392 0.337 0.727 0.273 CB 1.806 12 residues pruned to eliminate duplicates Z: 25 24.952 2.349 0.632 0.347 0.917 0.292 CB 1.712 25 residues pruned to eliminate duplicates Z: 31 36.274 2.397 0.750 0.455 0.933 0.367 CB 1.772 31 residues pruned to eliminate duplicates Z: 6 7.546 1.733 0.699 0.496 1.000 0.800 CA 1.151 Z: 6 4.545 1.836 0.249 0.430 1.000 0.400 CA 0.953 6 residues pruned to eliminate duplicates Z: 79 60.464 2.333 0.751 0.615 0.936 0.603 CB 1.606 79 residues pruned to eliminate duplicates Z: 39 36.578 2.192 0.737 0.627 0.921 0.579 CB 1.501 39 residues pruned to eliminate duplicates Z: 30 42.633 2.367 0.801 0.615 0.931 0.690 CB 1.789 30 residues pruned to eliminate duplicates Z: 56 48.009 2.341 0.665 0.586 0.964 0.618 CB 1.587 56 residues pruned to eliminate duplicates Z: 31 43.614 2.377 0.778 0.567 0.967 0.567 CB 1.826 31 residues pruned to eliminate duplicates Z: 23 39.964 2.349 0.734 0.727 0.909 0.818 CB 1.875 23 residues pruned to eliminate duplicates Z: 39 34.795 2.310 0.752 0.505 0.816 0.500 CA 1.702 39 residues pruned to eliminate duplicates Z: 31 38.247 2.319 0.849 0.559 0.900 0.600 CB 1.708 31 residues pruned to eliminate duplicates Z: 30 39.043 2.374 0.648 0.614 0.931 0.586 CA 1.787 30 residues pruned to eliminate duplicates Z: 31 39.544 2.370 0.728 0.585 0.900 0.633 CB 1.806 31 residues pruned to eliminate duplicates Z: 81 55.604 2.326 0.660 0.612 0.925 0.613 CB 1.565 81 residues pruned to eliminate duplicates Z: 33 33.157 2.309 0.688 0.522 0.875 0.656 CB 1.682 33 residues pruned to eliminate duplicates Z: 33 37.554 2.352 0.612 0.558 0.938 0.625 CB 1.766 33 residues pruned to eliminate duplicates Z: 114 57.812 2.218 0.570 0.620 0.912 0.673 CB 1.530 114 residues pruned to eliminate duplicates Z: 87 57.203 2.316 0.728 0.575 0.895 0.651 CB 1.603 87 residues pruned to eliminate duplicates Z: 31 41.045 2.374 0.685 0.587 0.967 0.700 CA 1.782 31 residues pruned to eliminate duplicates Z: 39 34.268 2.296 0.604 0.621 0.921 0.737 CB 1.461 39 residues pruned to eliminate duplicates Z: 57 45.372 2.306 0.606 0.615 0.911 0.679 CB 1.612 57 residues pruned to eliminate duplicates Z: 36 36.904 2.282 0.760 0.529 0.914 0.600 CB 1.652 36 residues pruned to eliminate duplicates Z: 45 32.638 2.157 0.693 0.593 0.886 0.705 CB 1.391 45 residues pruned to eliminate duplicates Z: 80 56.694 2.324 0.708 0.599 0.924 0.658 CB 1.582 80 residues pruned to eliminate duplicates Z: 24 45.072 2.461 0.849 0.722 0.913 0.696 CA 1.851 24 residues pruned to eliminate duplicates Z: 30 39.309 2.407 0.573 0.604 0.966 0.690 CB 1.809 30 residues pruned to eliminate duplicates Z: 31 22.154 2.203 0.466 0.582 0.867 0.567 CB 1.336 31 residues pruned to eliminate duplicates Z: 68 44.788 2.258 0.595 0.611 0.940 0.642 CB 1.454 68 residues pruned to eliminate duplicates Z: 80 46.865 2.305 0.574 0.570 0.886 0.595 CB 1.533 80 residues pruned to eliminate duplicates Z: 116 61.718 2.238 0.632 0.612 0.930 0.678 CB 1.522 116 residues pruned to eliminate duplicates Z: 80 54.253 2.330 0.626 0.610 0.937 0.633 CB 1.549 80 residues pruned to eliminate duplicates Z: 87 47.836 2.175 0.651 0.583 0.930 0.640 CB 1.426 87 residues pruned to eliminate duplicates Z: 78 50.875 2.292 0.596 0.588 0.948 0.558 CB 1.536 78 residues pruned to eliminate duplicates Z: 58 46.111 2.312 0.560 0.608 0.965 0.684 CB 1.584 58 residues pruned to eliminate duplicates Z: 77 47.908 2.293 0.582 0.594 0.908 0.618 CB 1.526 77 residues pruned to eliminate duplicates Z: 49 47.714 2.283 0.718 0.617 0.958 0.646 CB 1.640 49 residues pruned to eliminate duplicates Z: 84 56.113 2.304 0.709 0.577 0.928 0.614 CB 1.565 84 residues pruned to eliminate duplicates Z: 55 38.510 2.275 0.657 0.579 0.889 0.630 CB 1.449 55 residues pruned to eliminate duplicates Z: 29 27.022 2.318 0.579 0.593 0.893 0.679 CB 1.429 29 residues pruned to eliminate duplicates Z: 81 54.225 2.321 0.644 0.591 0.925 0.625 CB 1.574 81 residues pruned to eliminate duplicates Z: 79 55.275 2.336 0.556 0.630 0.949 0.692 CB 1.606 79 residues pruned to eliminate duplicates Z: 86 48.003 2.186 0.610 0.619 0.929 0.671 CB 1.422 86 residues pruned to eliminate duplicates Z: 68 46.087 2.264 0.639 0.629 0.896 0.642 CB 1.501 68 residues pruned to eliminate duplicates Z: 58 44.249 2.311 0.590 0.599 0.947 0.614 CB 1.533 58 residues pruned to eliminate duplicates Z: 66 45.848 2.308 0.621 0.624 0.938 0.692 CB 1.442 66 residues pruned to eliminate duplicates Z: 57 43.365 2.323 0.638 0.622 0.929 0.643 CB 1.463 57 residues pruned to eliminate duplicates Z: 70 46.359 2.250 0.724 0.568 0.899 0.667 CB 1.500 70 residues pruned to eliminate duplicates Z: 49 46.293 2.326 0.644 0.710 0.938 0.667 CB 1.541 49 residues pruned to eliminate duplicates Z: 74 59.802 2.332 0.692 0.653 0.959 0.685 CB 1.605 74 residues pruned to eliminate duplicates Z: 80 46.223 2.282 0.554 0.561 0.911 0.658 CB 1.516 80 residues pruned to eliminate duplicates Z: 81 56.271 2.309 0.648 0.614 0.950 0.613 CB 1.562 81 residues pruned to eliminate duplicates Z: 54 44.257 2.321 0.650 0.631 0.962 0.660 CB 1.459 54 residues pruned to eliminate duplicates Z: 142 72.009 2.286 0.703 0.580 0.929 0.638 CB 1.553 142 residues pruned to eliminate duplicates Z: 67 47.251 2.309 0.739 0.586 0.909 0.667 CB 1.467 67 residues pruned to eliminate duplicates Z: 36 33.765 2.296 0.730 0.523 0.943 0.686 CB 1.489 36 residues pruned to eliminate duplicates Z: 24 32.427 2.330 0.712 0.656 0.957 0.696 CB 1.533 24 residues pruned to eliminate duplicates Z: 94 55.094 2.288 0.584 0.585 0.946 0.688 CB 1.535 94 residues pruned to eliminate duplicates Z: 64 46.665 2.198 0.799 0.578 0.937 0.730 CB 1.474 64 residues pruned to eliminate duplicates Z: 52 41.683 2.225 0.692 0.651 0.882 0.667 CB 1.526 52 residues pruned to eliminate duplicates Z: 81 55.492 2.331 0.606 0.623 0.938 0.688 CB 1.575 81 residues pruned to eliminate duplicates Z: 92 65.397 2.326 0.720 0.618 0.967 0.659 CB 1.584 92 residues pruned to eliminate duplicates Z: 58 42.789 2.181 0.716 0.619 0.912 0.632 CB 1.483 58 residues pruned to eliminate duplicates Z: 25 34.112 2.330 0.829 0.655 0.917 0.750 CB 1.543 25 residues pruned to eliminate duplicates Z: 24 29.281 2.298 0.760 0.651 0.870 0.739 CB 1.508 24 residues pruned to eliminate duplicates Z: 37 42.542 2.337 0.879 0.590 0.944 0.667 CB 1.569 37 residues pruned to eliminate duplicates Z: 39 39.826 2.285 0.962 0.577 0.895 0.632 CB 1.496 39 residues pruned to eliminate duplicates Z: 71 63.759 2.343 0.851 0.682 0.957 0.671 CB 1.553 71 residues pruned to eliminate duplicates Z: 92 59.962 2.240 0.853 0.625 0.901 0.659 CB 1.494 92 residues pruned to eliminate duplicates Z: 114 65.790 2.243 0.719 0.610 0.947 0.602 CB 1.528 114 residues pruned to eliminate duplicates Z: 23 27.278 2.176 0.896 0.615 0.818 0.591 CB 1.545 23 residues pruned to eliminate duplicates Z: 105 64.287 2.262 0.745 0.623 0.913 0.625 CB 1.557 105 residues pruned to eliminate duplicates Z: 57 44.821 2.086 0.909 0.646 0.893 0.589 CB 1.470 57 residues pruned to eliminate duplicates Z: 112 62.795 2.232 0.680 0.617 0.928 0.640 CB 1.533 112 residues pruned to eliminate duplicates Z: 31 27.593 2.125 0.589 0.624 0.900 0.633 CB 1.475 31 residues pruned to eliminate duplicates Z: 39 28.543 2.039 0.619 0.607 0.868 0.579 CB 1.459 39 residues pruned to eliminate duplicates Z: 28 30.261 2.170 0.689 0.682 0.926 0.815 CB 1.452 28 residues pruned to eliminate duplicates Z: 41 29.184 1.990 0.691 0.577 0.900 0.575 CB 1.415 41 residues pruned to eliminate duplicates Z: 18 19.836 1.955 1.101 0.466 0.882 0.529 CB 1.374 18 residues pruned to eliminate duplicates Z: 39 27.236 2.045 0.674 0.593 0.842 0.605 CB 1.402 39 residues pruned to eliminate duplicates Z: 69 49.699 2.227 0.868 0.590 0.941 0.515 CB 1.412 69 residues pruned to eliminate duplicates Z: 39 31.806 2.024 0.809 0.632 0.921 0.684 CB 1.351 39 residues pruned to eliminate duplicates Z: 60 41.639 2.181 0.716 0.596 0.881 0.729 CB 1.500 60 residues pruned to eliminate duplicates Z: 19 21.075 2.059 0.810 0.483 0.944 0.556 CB 1.436 19 residues pruned to eliminate duplicates Z: 55 36.087 2.106 0.610 0.506 0.926 0.593 CB 1.554 55 residues pruned to eliminate duplicates Z: 18 18.538 2.129 0.780 0.475 0.824 0.588 CB 1.477 18 residues pruned to eliminate duplicates Z: 30 31.253 2.120 0.752 0.642 0.931 0.724 CB 1.470 30 residues pruned to eliminate duplicates Z: 57 41.489 2.134 0.871 0.608 0.857 0.571 CB 1.463 57 residues pruned to eliminate duplicates Z: 37 32.535 2.077 0.808 0.654 0.861 0.722 CB 1.453 37 residues pruned to eliminate duplicates Z: 31 29.235 2.038 0.779 0.651 0.900 0.733 CB 1.421 31 residues pruned to eliminate duplicates Z: 33 31.895 2.054 0.790 0.648 0.875 0.656 CB 1.527 33 residues pruned to eliminate duplicates Z: 38 29.638 1.995 0.816 0.600 0.865 0.568 CB 1.413 38 residues pruned to eliminate duplicates Z: 48 39.994 2.164 0.905 0.600 0.851 0.638 CB 1.511 48 residues pruned to eliminate duplicates Z: 31 30.174 2.125 0.849 0.626 0.900 0.700 CB 1.384 31 residues pruned to eliminate duplicates Z: 33 30.959 2.069 0.925 0.620 0.875 0.562 CB 1.401 33 residues pruned to eliminate duplicates Z: 38 35.596 2.043 0.914 0.641 0.946 0.514 CB 1.386 38 residues pruned to eliminate duplicates Z: 22 20.607 1.832 0.689 0.733 0.952 0.619 CB 1.237 22 residues pruned to eliminate duplicates Z: 33 22.485 1.966 0.892 0.456 0.844 0.469 CB 1.325 33 residues pruned to eliminate duplicates Z: 28 27.396 2.064 0.954 0.586 0.889 0.519 CB 1.354 28 residues pruned to eliminate duplicates Z: 101 60.585 2.236 0.728 0.624 0.930 0.640 CB 1.500 101 residues pruned to eliminate duplicates Z: 8 6.360 1.796 0.622 0.318 0.714 0.429 CB 1.413 8 residues pruned to eliminate duplicates Z: 9 5.142 1.702 0.605 0.208 0.750 0.000 N 1.253 9 residues pruned to eliminate duplicates Z: 7 4.973 1.787 0.301 0.374 0.833 0.333 CB 1.199 7 residues pruned to eliminate duplicates Z: 27 35.199 2.322 0.837 0.557 0.885 0.500 CB 1.731 27 residues pruned to eliminate duplicates Z: 63 45.038 2.207 0.872 0.525 0.887 0.581 CB 1.523 63 residues pruned to eliminate duplicates Z: 65 45.865 2.206 0.852 0.552 0.875 0.531 CB 1.525 65 residues pruned to eliminate duplicates Z: 36 36.828 2.285 0.714 0.513 0.943 0.571 CB 1.664 36 residues pruned to eliminate duplicates Z: 11 7.717 1.727 0.739 0.409 0.700 0.300 CA 1.277 11 residues pruned to eliminate duplicates Z: 21 37.924 2.499 0.867 0.619 0.950 0.700 CB 1.710 21 residues pruned to eliminate duplicates Z: 33 33.384 2.323 0.843 0.473 0.844 0.469 CB 1.680 33 residues pruned to eliminate duplicates Z: 30 37.675 2.446 0.741 0.492 0.966 0.621 CB 1.714 30 residues pruned to eliminate duplicates Z: 30 36.759 2.433 0.802 0.508 0.931 0.621 CB 1.660 30 residues pruned to eliminate duplicates Z: 29 40.341 2.475 0.836 0.521 0.964 0.643 CB 1.704 29 residues pruned to eliminate duplicates Z: 42 45.031 2.182 0.926 0.670 0.927 0.488 CB 1.542 42 residues pruned to eliminate duplicates Z: 33 34.526 2.338 0.702 0.544 0.938 0.625 CB 1.567 33 residues pruned to eliminate duplicates Z: 30 32.272 2.370 0.853 0.456 0.862 0.724 CB 1.656 30 residues pruned to eliminate duplicates Z: 30 40.704 2.441 0.807 0.572 0.931 0.759 CB 1.717 30 residues pruned to eliminate duplicates Z: 31 42.584 2.408 0.824 0.572 0.967 0.667 CB 1.708 31 residues pruned to eliminate duplicates Z: 36 36.494 2.292 0.797 0.496 0.914 0.657 CB 1.644 36 residues pruned to eliminate duplicates Z: 28 34.709 2.420 0.684 0.525 0.926 0.704 CB 1.727 28 residues pruned to eliminate duplicates Z: 32 32.760 2.379 0.674 0.511 0.903 0.677 CB 1.619 32 residues pruned to eliminate duplicates Z: 29 37.386 2.373 0.795 0.530 0.964 0.750 CB 1.670 29 residues pruned to eliminate duplicates Z: 37 38.123 2.249 0.786 0.540 0.944 0.667 CB 1.610 37 residues pruned to eliminate duplicates Z: 23 36.450 2.415 0.825 0.548 0.955 0.636 CB 1.762 23 residues pruned to eliminate duplicates Z: 142 70.250 2.227 0.750 0.564 0.936 0.574 CB 1.525 142 residues pruned to eliminate duplicates Z: 35 35.160 2.255 0.865 0.478 0.882 0.618 CB 1.661 35 residues pruned to eliminate duplicates Z: 31 37.363 2.400 0.814 0.513 0.933 0.667 CB 1.658 31 residues pruned to eliminate duplicates Z: 24 32.183 2.364 0.952 0.490 0.913 0.739 CB 1.609 24 residues pruned to eliminate duplicates Z: 31 46.981 2.434 0.883 0.582 1.000 0.667 CB 1.729 31 residues pruned to eliminate duplicates Z: 65 52.176 2.213 0.892 0.616 0.922 0.625 CB 1.513 65 residues pruned to eliminate duplicates Z: 31 35.772 2.372 0.766 0.530 0.900 0.700 CB 1.682 31 residues pruned to eliminate duplicates Z: 29 43.393 2.422 1.037 0.570 0.929 0.786 CB 1.673 29 residues pruned to eliminate duplicates Z: 64 56.597 2.348 0.769 0.571 0.937 0.651 CB 1.712 64 residues pruned to eliminate duplicates Z: 62 55.382 2.372 0.726 0.549 0.934 0.639 CB 1.766 62 residues pruned to eliminate duplicates Z: 37 34.847 2.270 0.747 0.543 0.861 0.750 CB 1.631 37 residues pruned to eliminate duplicates Z: 38 38.257 2.290 0.643 0.581 0.919 0.676 CB 1.683 38 residues pruned to eliminate duplicates Z: 26 27.884 2.261 0.806 0.592 0.840 0.640 CB 1.489 26 residues pruned to eliminate duplicates Z: 29 24.278 2.112 0.745 0.477 0.750 0.643 CA 1.698 29 residues pruned to eliminate duplicates Z: 55 49.167 2.298 0.819 0.572 0.926 0.630 CB 1.613 55 residues pruned to eliminate duplicates Z: 25 30.286 2.222 0.916 0.594 0.917 0.750 CB 1.448 25 residues pruned to eliminate duplicates Z: 37 35.844 2.241 0.546 0.577 0.944 0.667 CB 1.696 37 residues pruned to eliminate duplicates Z: 24 29.122 2.259 0.845 0.568 0.870 0.696 CA 1.568 24 residues pruned to eliminate duplicates Z: 23 29.306 2.204 0.914 0.570 0.864 0.591 CA 1.603 23 residues pruned to eliminate duplicates Z: 35 36.877 2.248 0.768 0.548 0.882 0.647 CB 1.720 35 residues pruned to eliminate duplicates Z: 24 28.670 2.239 0.742 0.583 0.913 0.696 CB 1.550 24 residues pruned to eliminate duplicates Z: 34 33.446 2.247 0.782 0.519 0.848 0.667 CB 1.681 34 residues pruned to eliminate duplicates Z: 37 34.385 2.235 0.732 0.554 0.861 0.694 CB 1.631 37 residues pruned to eliminate duplicates Z: 25 30.068 2.261 0.831 0.617 0.875 0.792 CB 1.518 25 residues pruned to eliminate duplicates Z: 38 36.492 2.188 0.740 0.575 0.919 0.757 CB 1.595 38 residues pruned to eliminate duplicates Z: 25 32.556 2.261 0.850 0.545 0.917 0.625 CB 1.659 25 residues pruned to eliminate duplicates Z: 25 26.721 2.204 0.781 0.553 0.833 0.750 CB 1.583 25 residues pruned to eliminate duplicates Z: 26 26.003 2.198 0.929 0.524 0.760 0.600 CB 1.575 26 residues pruned to eliminate duplicates Z: 37 36.211 2.309 0.661 0.566 0.889 0.722 CB 1.660 37 residues pruned to eliminate duplicates Z: 26 27.205 2.282 0.739 0.539 0.840 0.600 CB 1.570 26 residues pruned to eliminate duplicates Z: 36 39.264 2.303 0.692 0.545 0.943 0.686 CB 1.730 36 residues pruned to eliminate duplicates Z: 38 38.042 2.272 0.681 0.560 0.946 0.730 CB 1.633 38 residues pruned to eliminate duplicates Z: 18 21.187 2.127 0.469 0.549 1.000 0.471 CB 1.567 18 residues pruned to eliminate duplicates Z: 34 38.791 2.246 0.724 0.575 0.970 0.636 CB 1.673 34 residues pruned to eliminate duplicates Z: 44 33.461 2.172 0.606 0.494 0.884 0.674 CB 1.665 44 residues pruned to eliminate duplicates Z: 17 20.280 2.181 0.457 0.499 0.938 0.625 CA 1.704 17 residues pruned to eliminate duplicates Z: 9 7.069 1.605 0.424 0.423 0.875 0.375 C 1.354 9 residues pruned to eliminate duplicates Z: 38 37.221 2.305 0.633 0.583 0.919 0.757 CB 1.634 38 residues pruned to eliminate duplicates Z: 37 37.980 2.277 0.682 0.555 0.917 0.722 CB 1.708 37 residues pruned to eliminate duplicates 7 1.251 1.529 0.213 0.323 0.500 0.333 CB 0.669 ? Z: 6 7.717 1.855 0.602 0.469 1.000 0.400 C 1.198 6 residues pruned to eliminate duplicates Z: 26 32.813 2.459 0.742 0.453 0.880 0.520 CB 1.828 26 residues pruned to eliminate duplicates Z: 27 25.475 2.401 0.655 0.322 0.846 0.423 CB 1.807 27 residues pruned to eliminate duplicates Z: 30 38.830 2.400 0.883 0.471 0.897 0.483 CB 1.834 30 residues pruned to eliminate duplicates Z: 26 33.717 2.446 0.850 0.431 0.880 0.560 CB 1.819 26 residues pruned to eliminate duplicates Z: 21 34.530 2.372 0.910 0.529 0.950 0.550 CA 1.744 21 residues pruned to eliminate duplicates Z: 22 33.214 2.304 0.881 0.492 1.000 0.524 CA 1.685 22 residues pruned to eliminate duplicates Z: 31 30.415 2.306 0.856 0.381 0.900 0.400 CB 1.636 31 residues pruned to eliminate duplicates Z: 25 41.360 2.487 0.876 0.491 0.958 0.458 CB 1.905 25 residues pruned to eliminate duplicates Z: 21 33.613 2.323 0.957 0.482 0.950 0.550 CB 1.772 21 residues pruned to eliminate duplicates Z: 25 39.877 2.484 0.905 0.485 0.917 0.542 CB 1.905 25 residues pruned to eliminate duplicates Z: 24 34.943 2.366 0.915 0.461 0.957 0.478 CB 1.749 24 residues pruned to eliminate duplicates Z: 33 39.244 2.367 1.020 0.439 0.906 0.500 CB 1.706 33 residues pruned to eliminate duplicates Z: 27 31.900 2.465 0.888 0.385 0.885 0.462 CB 1.718 27 residues pruned to eliminate duplicates Z: 20 29.377 2.578 0.911 0.405 0.789 0.316 CA 1.915 20 residues pruned to eliminate duplicates Z: 22 35.737 2.501 1.030 0.385 0.905 0.429 CA 1.918 22 residues pruned to eliminate duplicates Z: 9 9.552 2.042 1.156 0.326 0.625 0.250 CB 1.485 9 residues pruned to eliminate duplicates Z: 24 31.511 2.381 1.066 0.401 0.826 0.435 CB 1.793 24 residues pruned to eliminate duplicates Z: 8 12.281 2.267 1.430 0.358 0.714 0.286 CA 1.375 8 residues pruned to eliminate duplicates Z: 15 13.006 2.214 0.878 0.218 0.714 0.286 CB 1.630 15 residues pruned to eliminate duplicates Z: 15 11.008 2.192 0.757 0.210 0.714 0.357 CB 1.506 15 residues pruned to eliminate duplicates Z: 39 34.870 2.238 0.736 0.537 0.895 0.553 CB 1.569 39 residues pruned to eliminate duplicates Z: 41 33.953 2.178 0.765 0.542 0.850 0.500 CB 1.576 41 residues pruned to eliminate duplicates Z: 31 33.385 2.245 0.660 0.612 0.900 0.600 CB 1.634 31 residues pruned to eliminate duplicates Z: 54 39.446 2.142 0.687 0.674 0.906 0.660 CB 1.410 54 residues pruned to eliminate duplicates Z: 41 35.135 2.148 0.716 0.605 0.925 0.525 CB 1.475 41 residues pruned to eliminate duplicates Z: 30 33.244 2.205 0.693 0.664 0.862 0.586 CB 1.648 30 residues pruned to eliminate duplicates Z: 43 33.432 2.159 0.578 0.672 0.881 0.595 CB 1.466 43 residues pruned to eliminate duplicates Z: 30 35.333 2.258 0.659 0.635 0.931 0.621 CB 1.658 30 residues pruned to eliminate duplicates Z: 33 34.423 2.238 0.677 0.648 0.938 0.688 CB 1.506 33 residues pruned to eliminate duplicates Z: 26 36.460 2.151 0.757 0.714 1.000 0.600 CB 1.588 26 residues pruned to eliminate duplicates Z: 23 38.342 2.271 0.749 0.798 0.955 0.864 CB 1.660 23 residues pruned to eliminate duplicates Z: 47 36.845 2.188 0.541 0.695 0.935 0.739 CB 1.443 47 residues pruned to eliminate duplicates Z: 22 33.854 2.248 0.656 0.838 0.952 0.714 CB 1.557 22 residues pruned to eliminate duplicates Z: 53 36.965 2.163 0.503 0.689 0.942 0.788 CB 1.408 53 residues pruned to eliminate duplicates Z: 41 36.117 2.132 0.810 0.649 0.925 0.550 CB 1.392 41 residues pruned to eliminate duplicates Z: 31 36.431 2.243 0.747 0.631 0.933 0.667 CB 1.608 31 residues pruned to eliminate duplicates Z: 21 36.624 2.280 0.607 0.873 1.000 0.800 CB 1.628 21 residues pruned to eliminate duplicates Z: 22 37.977 2.258 0.865 0.837 0.952 0.762 CB 1.545 22 residues pruned to eliminate duplicates Z: 110 44.011 2.055 0.603 0.565 0.890 0.606 CB 1.351 110 residues pruned to eliminate duplicates Z: 33 28.927 2.133 0.608 0.570 0.875 0.719 CB 1.593 33 residues pruned to eliminate duplicates Z: 23 42.088 2.286 0.775 0.830 1.000 0.955 CB 1.662 23 residues pruned to eliminate duplicates Z: 24 36.539 2.292 0.706 0.791 0.913 0.739 CB 1.653 24 residues pruned to eliminate duplicates Z: 50 34.089 2.094 0.593 0.686 0.939 0.612 CB 1.311 213 residues pruned to eliminate duplicates Z: 22 38.376 2.267 0.837 0.910 0.952 0.571 CB 1.497 22 residues pruned to eliminate duplicates Z: 21 36.920 2.296 0.721 0.860 0.950 0.750 CB 1.617 21 residues pruned to eliminate duplicates Z: 31 31.121 2.213 0.568 0.643 0.900 0.633 CB 1.593 31 residues pruned to eliminate duplicates Z: 22 35.941 2.277 0.746 0.845 0.952 0.714 CB 1.540 22 residues pruned to eliminate duplicates Z: 48 36.978 2.170 0.592 0.667 0.936 0.745 CB 1.428 48 residues pruned to eliminate duplicates Z: 23 27.194 2.242 0.472 0.819 0.909 0.773 CB 1.465 23 residues pruned to eliminate duplicates Z: 16 15.604 2.081 0.554 0.698 0.800 0.600 CB 1.299 16 residues pruned to eliminate duplicates Z: 64 37.040 2.140 0.680 0.543 0.905 0.635 CB 1.376 64 residues pruned to eliminate duplicates Z: 34 37.044 2.219 0.503 0.832 1.000 0.788 CB 1.451 34 residues pruned to eliminate duplicates Z: 68 49.803 2.251 0.737 0.564 0.896 0.478 CB 1.633 69 residues pruned to eliminate duplicates Z: 14 13.133 1.918 0.227 0.888 1.000 0.846 CB 1.115 14 residues pruned to eliminate duplicates Z: 48 35.860 2.179 0.538 0.676 0.915 0.638 CB 1.451 48 residues pruned to eliminate duplicates Z: 44 32.221 2.096 0.719 0.546 0.907 0.605 CB 1.437 44 residues pruned to eliminate duplicates Z: 34 39.625 2.221 0.624 0.822 1.000 0.667 CB 1.446 34 residues pruned to eliminate duplicates Z: 44 35.905 2.157 0.574 0.654 0.907 0.581 CB 1.541 44 residues pruned to eliminate duplicates Z: 11 14.961 2.107 0.459 0.916 0.900 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 21 26.243 2.173 0.540 0.739 1.000 0.550 CB 1.415 21 residues pruned to eliminate duplicates Z: 87 44.776 2.169 0.665 0.582 0.895 0.628 CB 1.380 87 residues pruned to eliminate duplicates Z: 114 49.047 2.144 0.538 0.598 0.903 0.655 CB 1.411 114 residues pruned to eliminate duplicates Z: 115 52.926 2.161 0.635 0.594 0.930 0.667 CB 1.380 115 residues pruned to eliminate duplicates Z: 103 54.566 2.175 0.644 0.647 0.941 0.657 CB 1.399 103 residues pruned to eliminate duplicates Z: 41 26.365 2.104 0.713 0.515 0.875 0.575 CB 1.302 41 residues pruned to eliminate duplicates Z: 72 43.934 2.142 0.639 0.657 0.915 0.634 CB 1.403 72 residues pruned to eliminate duplicates Z: 55 29.679 2.116 0.589 0.565 0.852 0.537 CB 1.323 55 residues pruned to eliminate duplicates Z: 78 45.562 2.205 0.654 0.506 0.896 0.519 CB 1.580 78 residues pruned to eliminate duplicates Z: 72 44.760 2.149 0.622 0.646 0.944 0.648 CB 1.409 72 residues pruned to eliminate duplicates Z: 83 40.381 2.124 0.502 0.584 0.927 0.549 CB 1.391 83 residues pruned to eliminate duplicates Z: 46 38.372 2.172 0.680 0.682 0.956 0.622 CB 1.389 46 residues pruned to eliminate duplicates Z: 34 25.409 2.139 0.684 0.531 0.909 0.667 CB 1.310 34 residues pruned to eliminate duplicates Z: 82 43.132 2.123 0.732 0.599 0.852 0.580 CB 1.393 82 residues pruned to eliminate duplicates Z: 36 25.361 2.052 0.670 0.528 0.886 0.686 CB 1.373 36 residues pruned to eliminate duplicates Z: 17 10.896 1.895 0.690 0.386 0.812 0.562 CB 1.181 17 residues pruned to eliminate duplicates Z: 8 8.771 1.911 1.058 0.516 0.714 0.429 CB 1.162 8 residues pruned to eliminate duplicates Z: 57 40.449 2.152 0.567 0.640 0.946 0.679 CB 1.486 57 residues pruned to eliminate duplicates Z: 58 37.845 2.122 0.673 0.644 0.895 0.754 CB 1.379 58 residues pruned to eliminate duplicates Z: 103 51.699 2.164 0.628 0.655 0.912 0.686 CB 1.379 103 residues pruned to eliminate duplicates Z: 57 42.280 2.168 0.659 0.636 0.964 0.625 CB 1.433 57 residues pruned to eliminate duplicates Z: 104 52.370 2.141 0.701 0.648 0.893 0.689 CB 1.382 104 residues pruned to eliminate duplicates Z: 70 38.804 2.119 0.728 0.575 0.899 0.623 CB 1.321 70 residues pruned to eliminate duplicates Z: 25 22.174 2.081 0.595 0.638 0.917 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 112 52.608 2.150 0.655 0.593 0.901 0.667 CB 1.425 112 residues pruned to eliminate duplicates Z: 57 40.794 2.162 0.765 0.632 0.911 0.571 CB 1.386 57 residues pruned to eliminate duplicates Z: 23 21.365 2.036 0.651 0.646 0.864 0.273 CB 1.370 23 residues pruned to eliminate duplicates Z: 58 40.218 2.146 0.803 0.650 0.877 0.632 CB 1.365 58 residues pruned to eliminate duplicates Z: 70 42.981 2.135 0.663 0.675 0.928 0.551 CB 1.338 70 residues pruned to eliminate duplicates Z: 58 38.194 2.134 0.671 0.628 0.930 0.544 CB 1.352 58 residues pruned to eliminate duplicates Z: 28 17.534 1.945 0.520 0.529 0.815 0.444 CB 1.361 28 residues pruned to eliminate duplicates Z: 19 19.067 1.998 0.600 0.642 0.944 0.278 CB 1.303 19 residues pruned to eliminate duplicates Z: 69 41.640 2.099 0.743 0.556 0.926 0.632 CB 1.411 69 residues pruned to eliminate duplicates Z: 111 53.620 2.139 0.637 0.610 0.909 0.609 CB 1.446 111 residues pruned to eliminate duplicates Z: 51 24.311 2.021 0.632 0.505 0.860 0.540 CB 1.207 51 residues pruned to eliminate duplicates Z: 39 27.832 2.128 0.647 0.576 0.868 0.579 CB 1.379 39 residues pruned to eliminate duplicates Z: 31 27.755 2.287 0.663 0.473 0.833 0.533 CB 1.643 31 residues pruned to eliminate duplicates Z: 97 48.694 2.147 0.598 0.583 0.917 0.552 CB 1.459 97 residues pruned to eliminate duplicates Z: 39 34.983 2.168 0.855 0.610 0.895 0.658 CB 1.421 39 residues pruned to eliminate duplicates Z: 38 40.244 2.314 0.846 0.583 0.892 0.595 CB 1.603 38 residues pruned to eliminate duplicates Z: 93 45.762 2.147 0.662 0.545 0.891 0.576 CB 1.436 93 residues pruned to eliminate duplicates Z: 13 26.559 2.244 1.394 0.532 0.833 0.583 CB 1.661 13 residues pruned to eliminate duplicates Z: 39 31.450 2.156 0.734 0.619 0.895 0.711 CB 1.363 39 residues pruned to eliminate duplicates Z: 40 30.678 2.127 0.770 0.611 0.846 0.692 CB 1.388 40 residues pruned to eliminate duplicates Z: 37 33.218 2.133 0.772 0.674 0.861 0.639 CB 1.449 37 residues pruned to eliminate duplicates Z: 70 35.985 2.066 0.737 0.544 0.855 0.507 CB 1.353 70 residues pruned to eliminate duplicates Z: 58 49.425 2.255 0.802 0.622 0.930 0.719 CB 1.544 58 residues pruned to eliminate duplicates Z: 54 36.158 2.136 0.813 0.608 0.868 0.509 CB 1.334 54 residues pruned to eliminate duplicates Z: 37 31.104 2.139 0.821 0.611 0.889 0.694 CB 1.348 37 residues pruned to eliminate duplicates Z: 39 30.207 2.115 0.796 0.585 0.895 0.605 CB 1.328 39 residues pruned to eliminate duplicates Z: 57 45.407 2.247 0.735 0.602 0.911 0.714 CB 1.551 57 residues pruned to eliminate duplicates Z: 25 23.262 2.043 0.711 0.639 0.875 0.625 CB 1.363 25 residues pruned to eliminate duplicates Z: 39 32.962 2.142 0.823 0.656 0.868 0.711 CB 1.364 39 residues pruned to eliminate duplicates Z: 38 37.469 2.188 0.880 0.658 0.919 0.676 CB 1.408 38 residues pruned to eliminate duplicates Z: 66 48.799 2.252 0.774 0.585 0.908 0.585 CB 1.539 66 residues pruned to eliminate duplicates Z: 39 34.169 2.143 0.886 0.622 0.895 0.658 CB 1.366 39 residues pruned to eliminate duplicates Z: 45 39.690 2.229 0.720 0.617 0.932 0.568 CB 1.500 45 residues pruned to eliminate duplicates Z: 22 31.923 2.110 0.992 0.719 1.000 0.476 CB 1.360 22 residues pruned to eliminate duplicates Z: 38 32.665 2.113 0.878 0.630 0.919 0.595 CB 1.303 38 residues pruned to eliminate duplicates Z: 56 38.520 2.103 0.844 0.632 0.891 0.527 CB 1.328 56 residues pruned to eliminate duplicates Z: 34 23.203 2.015 0.683 0.581 0.879 0.545 CB 1.254 34 residues pruned to eliminate duplicates Z: 37 32.659 2.086 0.996 0.627 0.889 0.722 CB 1.305 37 residues pruned to eliminate duplicates Z: 52 39.469 2.255 0.791 0.529 0.863 0.549 CB 1.541 52 residues pruned to eliminate duplicates Z: 24 27.898 2.065 0.964 0.656 0.913 0.696 CB 1.358 24 residues pruned to eliminate duplicates Z: 38 35.390 2.115 1.045 0.637 0.892 0.595 CB 1.326 38 residues pruned to eliminate duplicates Z: 29 24.232 2.006 0.824 0.556 0.821 0.643 CB 1.443 29 residues pruned to eliminate duplicates Z: 38 34.142 2.121 0.976 0.633 0.865 0.595 CB 1.366 38 residues pruned to eliminate duplicates Z: 38 19.595 1.948 0.681 0.496 0.784 0.432 CB 1.260 38 residues pruned to eliminate duplicates Z: 60 42.191 2.217 0.750 0.602 0.898 0.542 CB 1.431 60 residues pruned to eliminate duplicates Z: 58 43.159 2.225 0.832 0.616 0.877 0.596 CB 1.432 58 residues pruned to eliminate duplicates Z: 138 63.040 2.158 0.765 0.593 0.927 0.562 CB 1.396 138 residues pruned to eliminate duplicates Z: 104 57.197 2.162 0.832 0.587 0.913 0.573 CB 1.436 104 residues pruned to eliminate duplicates Z: 36 29.523 2.312 0.506 0.456 0.886 0.629 CB 1.694 36 residues pruned to eliminate duplicates Z: 100 64.096 2.303 0.798 0.561 0.899 0.636 CB 1.631 100 residues pruned to eliminate duplicates Z: 29 37.048 2.442 0.664 0.473 0.929 0.607 CB 1.907 29 residues pruned to eliminate duplicates Z: 31 38.343 2.411 0.621 0.547 0.967 0.533 CB 1.770 31 residues pruned to eliminate duplicates Z: 29 39.176 2.424 0.701 0.538 0.964 0.643 CB 1.795 29 residues pruned to eliminate duplicates Z: 29 31.073 2.414 0.571 0.440 0.893 0.607 CB 1.845 29 residues pruned to eliminate duplicates Z: 64 50.558 2.353 0.664 0.563 0.905 0.619 CB 1.692 64 residues pruned to eliminate duplicates Z: 82 50.237 2.202 0.866 0.580 0.901 0.543 CB 1.395 82 residues pruned to eliminate duplicates Z: 21 31.677 2.380 0.676 0.552 0.950 0.600 CB 1.778 21 residues pruned to eliminate duplicates Z: 48 52.333 2.316 0.855 0.630 0.936 0.574 CB 1.680 48 residues pruned to eliminate duplicates Z: 50 46.687 2.268 0.802 0.618 0.939 0.592 CB 1.555 50 residues pruned to eliminate duplicates Z: 28 42.653 2.443 0.852 0.525 0.963 0.593 CB 1.839 28 residues pruned to eliminate duplicates Z: 24 31.532 2.355 0.671 0.610 0.913 0.652 CA 1.648 24 residues pruned to eliminate duplicates Z: 23 39.227 2.456 0.675 0.590 1.000 0.727 CB 1.865 23 residues pruned to eliminate duplicates Z: 29 41.128 2.438 0.924 0.537 0.893 0.679 CA 1.790 29 residues pruned to eliminate duplicates Z: 78 50.876 2.201 0.848 0.584 0.870 0.506 CB 1.512 78 residues pruned to eliminate duplicates Z: 35 41.486 2.368 0.800 0.486 0.941 0.618 CB 1.800 35 residues pruned to eliminate duplicates Z: 26 41.442 2.477 0.746 0.533 1.000 0.600 CB 1.854 26 residues pruned to eliminate duplicates Z: 63 53.372 2.367 0.715 0.561 0.903 0.677 CB 1.741 63 residues pruned to eliminate duplicates Z: 29 33.562 2.398 0.644 0.490 0.893 0.607 CB 1.820 29 residues pruned to eliminate duplicates Z: 54 45.320 2.323 0.606 0.548 0.925 0.698 CB 1.721 54 residues pruned to eliminate duplicates Z: 65 50.637 2.270 0.831 0.570 0.922 0.594 CB 1.544 65 residues pruned to eliminate duplicates Z: 68 53.503 2.257 0.893 0.584 0.910 0.567 CB 1.550 68 residues pruned to eliminate duplicates Z: 63 53.531 2.359 0.709 0.562 0.935 0.677 CB 1.697 63 residues pruned to eliminate duplicates Z: 63 56.192 2.355 0.698 0.594 0.968 0.661 CB 1.686 63 residues pruned to eliminate duplicates Z: 46 47.869 2.367 0.741 0.646 0.911 0.756 CB 1.657 46 residues pruned to eliminate duplicates Z: 62 53.630 2.392 0.678 0.573 0.918 0.607 CB 1.736 62 residues pruned to eliminate duplicates Z: 25 29.881 2.349 0.687 0.667 0.833 0.708 CB 1.583 25 residues pruned to eliminate duplicates Z: 49 29.831 2.188 0.581 0.513 0.833 0.646 CB 1.475 49 residues pruned to eliminate duplicates Z: 36 39.303 2.321 0.657 0.619 0.943 0.743 CB 1.636 36 residues pruned to eliminate duplicates Z: 36 38.311 2.333 0.640 0.631 0.914 0.686 CB 1.637 36 residues pruned to eliminate duplicates Z: 36 38.178 2.342 0.676 0.613 0.886 0.657 CB 1.668 36 residues pruned to eliminate duplicates Z: 36 39.332 2.334 0.696 0.602 0.914 0.657 CB 1.668 36 residues pruned to eliminate duplicates Z: 21 30.841 2.285 0.787 0.669 0.900 0.700 CB 1.606 21 residues pruned to eliminate duplicates Z: 38 40.254 2.321 0.742 0.563 0.919 0.676 CB 1.675 37 residues pruned to eliminate duplicates Z: 15 41.947 2.420 0.927 0.887 1.000 0.857 CB 1.733 15 residues pruned to eliminate duplicates Z: 35 36.643 2.337 0.606 0.618 0.912 0.588 CB 1.642 35 residues pruned to eliminate duplicates Z: 31 35.912 2.335 0.701 0.600 0.900 0.700 CB 1.668 31 residues pruned to eliminate duplicates Z: 30 36.333 2.395 0.563 0.614 0.931 0.655 CB 1.738 30 residues pruned to eliminate duplicates Z: 28 28.744 2.257 0.784 0.601 0.815 0.704 CB 1.531 28 residues pruned to eliminate duplicates Z: 30 39.071 2.350 0.715 0.639 0.897 0.690 CB 1.763 30 residues pruned to eliminate duplicates Z: 32 38.955 2.305 0.860 0.565 0.935 0.677 CB 1.638 32 residues pruned to eliminate duplicates Z: 25 49.551 2.473 0.938 0.677 1.000 0.792 CB 1.793 25 residues pruned to eliminate duplicates Z: 30 38.767 2.365 0.677 0.637 0.931 0.655 CB 1.715 30 residues pruned to eliminate duplicates Z: 30 38.748 2.350 0.673 0.632 0.931 0.690 CB 1.736 30 residues pruned to eliminate duplicates Z: 36 39.187 2.355 0.633 0.609 0.943 0.629 CB 1.647 36 residues pruned to eliminate duplicates Z: 35 38.902 2.366 0.708 0.617 0.912 0.706 CB 1.621 35 residues pruned to eliminate duplicates Z: 36 40.204 2.354 0.689 0.596 0.943 0.714 CB 1.655 36 residues pruned to eliminate duplicates Z: 29 41.174 2.420 0.774 0.629 0.893 0.750 CB 1.799 29 residues pruned to eliminate duplicates Z: 24 47.344 2.450 0.968 0.651 1.000 0.783 CB 1.779 24 residues pruned to eliminate duplicates Z: 38 34.557 2.244 0.705 0.589 0.892 0.568 CB 1.529 38 residues pruned to eliminate duplicates Z: 64 54.304 2.345 0.687 0.585 0.952 0.651 CB 1.674 64 residues pruned to eliminate duplicates Z: 29 39.685 2.377 0.720 0.636 0.929 0.679 CB 1.740 29 residues pruned to eliminate duplicates Z: 37 35.443 2.287 0.666 0.587 0.861 0.722 CB 1.656 37 residues pruned to eliminate duplicates Z: 36 38.573 2.331 0.723 0.592 0.914 0.714 CB 1.626 36 residues pruned to eliminate duplicates Z: 28 38.660 2.381 0.682 0.632 0.963 0.778 CB 1.705 28 residues pruned to eliminate duplicates Z: 29 39.079 2.397 0.710 0.604 0.929 0.679 CB 1.757 29 residues pruned to eliminate duplicates Z: 15 15.626 2.136 0.645 0.365 0.857 0.429 CB 1.603 15 residues pruned to eliminate duplicates Z: 36 40.441 2.305 0.733 0.604 0.971 0.686 CB 1.596 36 residues pruned to eliminate duplicates Z: 37 37.312 2.289 0.644 0.573 0.917 0.667 CA 1.679 37 residues pruned to eliminate duplicates Z: 19 11.495 1.892 0.489 0.371 0.833 0.444 CB 1.325 Z: 6 2.781 1.692 0.669 0.211 0.600 0.400 CA 1.033 Z: 18 31.030 2.299 0.608 0.761 1.000 0.647 CB 1.615 Z: 16 31.384 2.215 0.761 0.845 1.000 0.667 CB 1.546 16 residues pruned to eliminate duplicates Z: 17 27.809 2.123 0.757 0.820 0.938 0.688 CA 1.506 17 residues pruned to eliminate duplicates Z: 99 53.196 2.169 0.770 0.545 0.939 0.582 CB 1.427 32 residues pruned to eliminate duplicates Z: 16 27.814 2.228 0.610 0.827 1.000 0.600 CB 1.509 16 residues pruned to eliminate duplicates Z: 82 52.725 2.201 0.836 0.547 0.926 0.543 CB 1.495 82 residues pruned to eliminate duplicates Z: 92 50.062 2.148 0.752 0.534 0.923 0.593 CB 1.461 92 residues pruned to eliminate duplicates Z: 100 54.647 2.147 0.792 0.562 0.939 0.596 CB 1.431 100 residues pruned to eliminate duplicates Z: 18 29.361 2.032 0.835 0.831 1.000 0.588 CA 1.435 18 residues pruned to eliminate duplicates Z: 27 30.325 2.262 0.774 0.609 0.846 0.538 CB 1.579 27 residues pruned to eliminate duplicates Z: 91 54.253 2.200 0.834 0.560 0.889 0.589 CB 1.505 91 residues pruned to eliminate duplicates Z: 99 52.227 2.160 0.723 0.545 0.929 0.592 CB 1.462 99 residues pruned to eliminate duplicates Z: 15 37.292 2.225 1.026 0.835 1.000 0.643 CA 1.657 15 residues pruned to eliminate duplicates Z: 26 27.486 2.216 0.788 0.594 0.840 0.520 CB 1.510 26 residues pruned to eliminate duplicates Z: 39 38.239 2.284 0.782 0.502 0.947 0.605 CB 1.606 39 residues pruned to eliminate duplicates Z: 100 52.710 2.161 0.751 0.542 0.919 0.505 CB 1.461 100 residues pruned to eliminate duplicates Z: 70 49.205 2.272 0.717 0.564 0.942 0.522 CB 1.514 70 residues pruned to eliminate duplicates Z: 73 51.962 2.267 0.840 0.563 0.931 0.639 CB 1.484 73 residues pruned to eliminate duplicates Z: 99 53.715 2.167 0.809 0.565 0.898 0.622 CB 1.448 99 residues pruned to eliminate duplicates Z: 99 52.242 2.149 0.794 0.542 0.898 0.582 CB 1.462 99 residues pruned to eliminate duplicates Z: 83 52.409 2.203 0.774 0.562 0.939 0.634 CB 1.485 83 residues pruned to eliminate duplicates Z: 71 54.033 2.281 0.819 0.591 0.929 0.643 CB 1.536 71 residues pruned to eliminate duplicates Z: 96 50.870 2.147 0.708 0.547 0.937 0.579 CB 1.451 95 residues pruned to eliminate duplicates Z: 6 8.682 1.754 1.446 0.418 1.000 0.800 CA 0.985 6 residues pruned to eliminate duplicates Z: 39 33.946 2.217 0.825 0.504 0.921 0.605 CB 1.472 39 residues pruned to eliminate duplicates Z: 43 36.784 2.279 0.791 0.481 0.881 0.548 CB 1.608 43 residues pruned to eliminate duplicates Z: 79 48.235 2.204 0.782 0.545 0.897 0.551 CB 1.483 79 residues pruned to eliminate duplicates Z: 95 49.739 2.150 0.674 0.574 0.936 0.574 CB 1.417 95 residues pruned to eliminate duplicates Z: 83 49.017 2.210 0.719 0.568 0.890 0.610 CB 1.499 83 residues pruned to eliminate duplicates Z: 100 54.464 2.146 0.795 0.565 0.909 0.626 CB 1.468 100 residues pruned to eliminate duplicates Z: 76 56.732 2.228 0.838 0.579 1.000 0.573 CB 1.482 76 residues pruned to eliminate duplicates Z: 80 52.537 2.244 0.865 0.561 0.873 0.582 CB 1.525 80 residues pruned to eliminate duplicates Z: 81 53.762 2.228 0.833 0.567 0.925 0.588 CB 1.492 81 residues pruned to eliminate duplicates Z: 98 55.154 2.172 0.811 0.566 0.928 0.670 CB 1.440 98 residues pruned to eliminate duplicates Z: 92 52.691 2.148 0.829 0.589 0.934 0.670 CB 1.383 92 residues pruned to eliminate duplicates Z: 96 50.907 2.121 0.729 0.562 0.926 0.653 CB 1.449 96 residues pruned to eliminate duplicates Z: 120 58.878 2.162 0.818 0.544 0.899 0.597 CB 1.463 231 residues pruned to eliminate duplicates Z: 66 36.940 2.033 0.711 0.575 0.908 0.646 CB 1.350 Z: 16 37.047 2.309 1.037 0.812 0.933 0.533 CB 1.661 17 residues pruned to eliminate duplicates Z: 17 36.411 2.161 1.091 0.842 0.938 0.625 CB 1.601 16 residues pruned to eliminate duplicates Z: 16 31.598 2.272 1.031 0.780 0.867 0.533 CB 1.593 16 residues pruned to eliminate duplicates Z: 99 52.888 2.158 0.731 0.550 0.929 0.633 CB 1.467 63 residues pruned to eliminate duplicates Z: 17 29.661 2.173 0.931 0.797 0.875 0.438 CB 1.557 17 residues pruned to eliminate duplicates Z: 101 54.886 2.130 0.852 0.566 0.910 0.620 CB 1.434 104 residues pruned to eliminate duplicates Z: 15 29.598 2.353 0.903 0.703 0.929 0.429 CB 1.582 15 residues pruned to eliminate duplicates Z: 78 56.973 2.288 0.883 0.570 0.896 0.610 CB 1.572 78 residues pruned to eliminate duplicates Z: 100 52.135 2.134 0.690 0.558 0.949 0.576 CB 1.447 100 residues pruned to eliminate duplicates Z: 85 50.544 2.168 0.838 0.536 0.929 0.548 CB 1.438 85 residues pruned to eliminate duplicates Z: 83 54.133 2.179 0.832 0.578 0.976 0.585 CB 1.425 83 residues pruned to eliminate duplicates Z: 100 48.731 2.133 0.711 0.541 0.909 0.657 CB 1.417 100 residues pruned to eliminate duplicates Z: 30 24.907 1.984 0.734 0.532 1.000 0.621 CB 1.303 30 residues pruned to eliminate duplicates Z: 105 55.083 2.164 0.778 0.537 0.923 0.567 CB 1.467 105 residues pruned to eliminate duplicates Z: 75 55.818 2.251 0.923 0.593 0.932 0.541 CB 1.471 75 residues pruned to eliminate duplicates Z: 79 56.004 2.276 0.866 0.563 0.923 0.590 CB 1.522 73 residues pruned to eliminate duplicates Z: 13 17.001 2.035 0.768 0.873 0.917 0.667 CB 1.084 13 residues pruned to eliminate duplicates Z: 73 47.864 2.200 0.857 0.554 0.903 0.486 CB 1.452 73 residues pruned to eliminate duplicates Z: 108 49.837 2.120 0.779 0.528 0.879 0.551 CB 1.414 107 residues pruned to eliminate duplicates Z: 10 21.505 2.135 1.089 0.931 1.000 0.556 CB 1.123 10 residues pruned to eliminate duplicates Z: 81 54.009 2.236 0.868 0.569 0.913 0.562 CB 1.483 81 residues pruned to eliminate duplicates Z: 90 47.222 2.159 0.756 0.551 0.888 0.629 CB 1.415 90 residues pruned to eliminate duplicates Z: 70 51.247 2.285 0.781 0.591 0.913 0.565 CB 1.522 70 residues pruned to eliminate duplicates Z: 100 48.271 2.127 0.696 0.540 0.899 0.566 CB 1.439 100 residues pruned to eliminate duplicates Z: 110 56.860 2.143 0.837 0.553 0.927 0.596 CB 1.418 106 residues pruned to eliminate duplicates Z: 13 16.818 2.081 1.012 0.743 0.917 0.417 CB 1.018 13 residues pruned to eliminate duplicates Z: 100 51.310 2.135 0.781 0.542 0.909 0.535 CB 1.432 100 residues pruned to eliminate duplicates Z: 47 30.864 1.952 0.803 0.573 0.957 0.630 CB 1.260 48 residues pruned to eliminate duplicates Z: 6 3.053 1.496 0.192 0.299 0.800 0.400 CB 1.199 6 residues pruned to eliminate duplicates Z: 102 52.927 2.125 0.807 0.553 0.911 0.554 CB 1.429 102 residues pruned to eliminate duplicates Z: 6 4.707 1.578 0.661 0.377 0.800 0.400 CA 1.145 6 residues pruned to eliminate duplicates Z: 30 17.057 1.825 0.558 0.490 0.931 0.586 CB 1.209 29 residues pruned to eliminate duplicates Z: 7 5.216 1.588 0.744 0.466 1.000 0.667 CA 0.796 7 residues pruned to eliminate duplicates Z: 100 47.095 2.129 0.698 0.548 0.869 0.535 CB 1.439 100 residues pruned to eliminate duplicates Z: 49 27.579 1.909 0.720 0.559 0.938 0.708 CB 1.221 49 residues pruned to eliminate duplicates Z: 30 15.055 1.805 0.560 0.457 0.828 0.552 CB 1.254 30 residues pruned to eliminate duplicates Z: 21 23.334 1.921 0.694 0.518 1.000 0.650 CB 1.575 21 residues pruned to eliminate duplicates Z: 19 19.967 2.134 0.574 0.427 1.000 0.722 CA 1.511 19 residues pruned to eliminate duplicates Z: 21 23.098 2.020 0.793 0.466 0.950 0.600 CB 1.553 21 residues pruned to eliminate duplicates Z: 20 19.698 2.012 0.698 0.486 0.895 0.737 CA 1.498 21 residues pruned to eliminate duplicates Z: 12 12.516 1.742 0.526 0.759 0.909 0.727 CA 1.241 12 residues pruned to eliminate duplicates Z: 19 26.606 2.118 0.837 0.528 1.000 0.611 CB 1.568 19 residues pruned to eliminate duplicates Z: 22 23.704 1.980 0.730 0.553 0.952 0.762 CB 1.506 22 residues pruned to eliminate duplicates Z: 21 22.278 1.968 0.692 0.530 0.950 0.700 CB 1.529 21 residues pruned to eliminate duplicates Z: 19 25.593 2.119 0.699 0.535 1.000 0.778 CB 1.619 19 residues pruned to eliminate duplicates Z: 16 16.193 2.077 0.914 0.224 0.867 0.467 CA 1.677 16 residues pruned to eliminate duplicates Z: 21 22.422 1.996 0.691 0.531 0.950 0.700 CB 1.518 21 residues pruned to eliminate duplicates Z: 21 23.325 1.983 0.790 0.495 0.950 0.750 CA 1.555 21 residues pruned to eliminate duplicates Z: 20 17.118 1.983 0.715 0.443 0.895 0.737 CB 1.368 20 residues pruned to eliminate duplicates Z: 20 27.088 2.061 0.771 0.558 1.000 0.789 CB 1.610 20 residues pruned to eliminate duplicates Z: 21 22.222 1.975 0.696 0.555 0.950 0.700 CB 1.480 21 residues pruned to eliminate duplicates Z: 20 25.046 2.044 0.687 0.542 1.000 0.842 CB 1.599 20 residues pruned to eliminate duplicates 718 residues left after pruning, divided into chains as follows: A: 7 B: 13 C: 6 D: 12 E: 85 F: 19 G: 19 H: 16 I: 16 J: 198 K: 200 L: 110 M: 17 CC for partial structure against native data = 41.75 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.495, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.566, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.682, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.694, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.708, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.720, Connect. = 0.816 for dens.mod. cycle 7 = 0.300, Contrast = 0.723, Connect. = 0.817 for dens.mod. cycle 8 = 0.300, Contrast = 0.726, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.727, Connect. = 0.818 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.98 - 3.16 - 2.76 - 2.50 - 2.32 - 2.19 - 2.08 - 1.98 - 1.90 - 1.81 0.734 0.753 0.711 0.712 0.733 0.732 0.713 0.712 0.678 0.643 0.894 0.913 0.880 0.870 0.888 0.892 0.876 0.873 0.838 0.789 N 8173 8120 8113 8429 8221 7766 8175 8716 7586 7923 Estimated mean FOM = 0.712 Pseudo-free CC = 73.25 % Best trace (cycle 1 with CC 42.33%) was saved as ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.9 - Setup, data input and phasing 7.8 - FFTs and peak-searches 36.1 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 1901.0 - Tripeptide search 14937.0 - Chain tracing 0.0 - NCS analysis 73.5 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:01:15 Total time: 16957.16 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 284.16 Used memory is bytes: 21910960