++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:36:59 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.ins Phases from ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.phi Native data from ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.hkl Listing output to ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.lst Phases output to ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.phs Poly-Ala trace output to ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 64556 Reflections read from file ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.phi 64556 Reflections read from file ./2oyo-1.5-parrot-hancs/2oyo-1.5-parrot-hancs.hkl 64556 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000043h^2 +0.000043k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000043hk 9 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 512 x 512 x 37 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.567 ** -f missing ?? ** = 0.300, Contrast = 0.546, Connect. = 0.828 for dens.mod. cycle 1 = 0.300, Contrast = 0.604, Connect. = 0.832 for dens.mod. cycle 2 = 0.300, Contrast = 0.699, Connect. = 0.845 for dens.mod. cycle 3 = 0.300, Contrast = 0.714, Connect. = 0.848 for dens.mod. cycle 4 = 0.300, Contrast = 0.724, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.729, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.734, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.736, Connect. = 0.852 for dens.mod. cycle 8 = 0.300, Contrast = 0.739, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.740, Connect. = 0.853 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2397 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 546 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 26 59.157 2.399 1.390 0.922 0.960 0.840 CB 1.512 B: 17 44.495 2.363 1.178 0.884 1.000 0.750 CB 1.562 C: 27 65.694 2.393 1.485 0.917 1.000 0.846 CB 1.529 26 residues pruned to eliminate duplicates D: 17 37.239 2.279 0.682 0.945 1.000 0.938 CB 1.681 E: 27 64.450 2.368 1.479 0.904 0.962 0.731 CB 1.595 F: 17 38.293 2.353 0.748 0.920 0.938 0.938 CB 1.749 17 residues pruned to eliminate duplicates G: 22 44.090 2.312 0.800 0.848 0.952 0.762 CA 1.802 H: 26 47.491 2.216 1.291 0.890 0.920 0.560 CB 1.463 26 residues pruned to eliminate duplicates I: 17 41.819 2.369 0.839 0.876 1.000 0.875 CB 1.743 17 residues pruned to eliminate duplicates J: 27 56.015 2.405 1.181 0.931 0.962 0.769 CB 1.523 27 residues pruned to eliminate duplicates K: 19 46.009 2.187 1.020 0.913 1.000 0.833 CA 1.737 17 residues pruned to eliminate duplicates L: 18 41.212 2.316 0.925 0.924 1.000 0.882 CB 1.575 M: 27 62.093 2.389 1.296 0.906 0.962 0.846 CB 1.642 27 residues pruned to eliminate duplicates N: 19 46.327 2.217 1.039 0.930 1.000 0.833 CB 1.689 O: 19 49.411 2.195 1.198 0.894 1.000 0.833 CB 1.732 19 residues pruned to eliminate duplicates P: 27 67.100 2.393 1.567 0.906 0.962 0.769 CB 1.585 27 residues pruned to eliminate duplicates Q: 17 36.870 2.315 0.832 0.928 1.000 0.938 CB 1.522 17 residues pruned to eliminate duplicates R: 17 52.427 2.386 1.170 0.945 1.000 0.938 CB 1.752 17 residues pruned to eliminate duplicates S: 27 58.875 2.387 1.358 0.896 0.962 0.808 CB 1.529 27 residues pruned to eliminate duplicates T: 18 40.991 2.300 0.959 0.914 1.000 0.882 CB 1.561 18 residues pruned to eliminate duplicates U: 12 30.726 2.301 0.899 0.860 0.909 0.818 CB 1.714 12 residues pruned to eliminate duplicates V: 17 54.267 2.364 1.222 0.953 1.000 0.875 CA 1.777 22 residues pruned to eliminate duplicates W: 17 39.710 2.233 0.846 0.899 1.000 1.000 CB 1.721 X: 18 39.918 2.293 1.137 0.915 1.000 0.941 CB 1.397 18 residues pruned to eliminate duplicates Y: 11 24.710 2.128 0.588 0.803 1.000 0.700 C 1.774 Z: 17 46.373 2.325 1.282 0.922 1.000 0.812 CB 1.537 17 residues pruned to eliminate duplicates Z: 17 44.354 2.327 0.915 0.927 1.000 1.000 CA 1.744 18 residues pruned to eliminate duplicates Z: 17 39.656 2.294 0.731 0.924 1.000 1.000 CA 1.753 17 residues pruned to eliminate duplicates Z: 18 43.581 2.287 1.088 0.873 1.000 0.882 CB 1.611 18 residues pruned to eliminate duplicates Z: 27 62.692 2.363 1.398 0.928 0.962 0.808 CB 1.580 27 residues pruned to eliminate duplicates Z: 17 44.095 2.237 1.293 0.954 1.000 1.000 CB 1.478 18 residues pruned to eliminate duplicates Z: 11 21.295 2.153 0.647 0.708 1.000 0.400 CA 1.572 11 residues pruned to eliminate duplicates Z: 17 44.071 2.345 0.995 0.952 1.000 1.000 CB 1.621 Z: 17 50.083 2.328 1.199 0.933 1.000 0.812 CB 1.707 17 residues pruned to eliminate duplicates Z: 18 45.227 2.332 0.939 0.918 1.000 0.882 CB 1.711 17 residues pruned to eliminate duplicates Z: 10 18.341 2.106 0.639 0.784 0.889 0.667 C 1.552 Z: 17 33.931 2.324 0.843 0.913 0.938 0.812 CB 1.494 17 residues pruned to eliminate duplicates Z: 17 50.651 2.349 1.144 0.930 1.000 0.938 CB 1.758 17 residues pruned to eliminate duplicates Z: 16 47.832 2.450 1.083 0.941 1.000 0.933 CB 1.680 16 residues pruned to eliminate duplicates Z: 18 42.191 2.323 0.940 0.897 1.000 0.941 CB 1.625 18 residues pruned to eliminate duplicates Z: 26 66.805 2.436 1.478 0.939 1.000 0.840 CB 1.538 27 residues pruned to eliminate duplicates Z: 17 51.534 2.349 1.181 0.927 1.000 0.938 CB 1.762 18 residues pruned to eliminate duplicates Z: 17 37.131 2.216 0.702 0.894 1.000 0.938 CB 1.766 17 residues pruned to eliminate duplicates Z: 18 40.979 2.296 1.239 0.900 1.000 0.765 CB 1.381 18 residues pruned to eliminate duplicates Z: 7 9.963 1.788 0.560 0.719 0.833 0.500 C 1.435 7 residues pruned to eliminate duplicates Z: 19 34.515 2.196 0.954 0.860 0.889 0.833 CB 1.569 19 residues pruned to eliminate duplicates Z: 27 66.308 2.370 1.522 0.902 0.962 0.769 CB 1.614 27 residues pruned to eliminate duplicates Z: 15 29.169 2.157 0.649 0.947 1.000 1.000 CB 1.514 Z: 18 42.071 2.320 1.292 0.905 0.941 0.882 CB 1.452 18 residues pruned to eliminate duplicates Z: 9 12.839 2.183 0.337 0.656 0.750 0.500 C 1.793 9 residues pruned to eliminate duplicates Z: 17 34.857 2.251 0.660 0.931 1.000 1.000 CB 1.629 Z: 17 38.117 2.354 0.925 0.905 1.000 0.875 CB 1.496 17 residues pruned to eliminate duplicates Z: 16 43.634 2.324 0.959 0.890 1.000 0.867 CB 1.781 16 residues pruned to eliminate duplicates Z: 17 39.295 2.351 0.834 0.905 1.000 0.938 CB 1.621 18 residues pruned to eliminate duplicates Z: 18 45.602 2.325 0.887 0.941 1.000 0.941 CB 1.749 18 residues pruned to eliminate duplicates Z: 17 54.017 2.357 1.316 0.936 1.000 0.875 CB 1.723 17 residues pruned to eliminate duplicates Z: 19 38.384 2.194 0.958 0.849 1.000 0.889 CB 1.561 19 residues pruned to eliminate duplicates Z: 17 51.745 2.261 1.214 0.937 1.000 0.875 CB 1.798 17 residues pruned to eliminate duplicates Z: 17 39.980 2.219 1.250 0.874 0.875 0.875 CB 1.665 17 residues pruned to eliminate duplicates Z: 8 10.505 1.731 0.423 0.741 0.857 0.571 C 1.516 8 residues pruned to eliminate duplicates Z: 18 52.421 2.318 1.167 0.910 1.000 0.647 CB 1.796 18 residues pruned to eliminate duplicates Z: 15 29.439 2.154 0.683 0.931 1.000 0.929 CB 1.517 15 residues pruned to eliminate duplicates Z: 18 44.529 2.263 1.235 0.933 1.000 0.765 CB 1.490 18 residues pruned to eliminate duplicates Z: 27 65.017 2.391 1.467 0.910 0.962 0.769 CB 1.594 27 residues pruned to eliminate duplicates Z: 17 37.956 2.378 0.980 0.899 0.875 0.875 CB 1.647 17 residues pruned to eliminate duplicates Z: 26 68.254 2.407 1.504 0.920 0.960 0.920 CB 1.662 26 residues pruned to eliminate duplicates Z: 27 61.423 2.367 1.410 0.936 1.000 0.846 CB 1.470 27 residues pruned to eliminate duplicates Z: 26 63.829 2.435 1.186 0.938 1.000 0.880 CB 1.668 26 residues pruned to eliminate duplicates Z: 15 26.091 2.133 0.525 0.922 1.000 0.929 CB 1.508 15 residues pruned to eliminate duplicates Z: 27 51.960 2.392 1.038 0.933 0.962 0.923 CB 1.518 27 residues pruned to eliminate duplicates Z: 11 23.969 2.050 0.653 0.899 1.000 1.000 C 1.598 Z: 12 20.437 2.113 0.581 0.844 0.909 0.818 C 1.510 Z: 18 48.646 2.437 1.065 0.944 1.000 0.882 CB 1.623 18 residues pruned to eliminate duplicates Z: 18 43.234 2.338 0.881 0.927 1.000 0.941 CB 1.671 18 residues pruned to eliminate duplicates Z: 18 33.939 2.246 0.737 0.907 1.000 0.882 CB 1.500 18 residues pruned to eliminate duplicates Z: 15 31.884 2.187 0.773 0.942 1.000 0.929 CB 1.525 15 residues pruned to eliminate duplicates Z: 17 51.253 2.380 1.051 0.945 1.000 0.938 CB 1.816 17 residues pruned to eliminate duplicates Z: 11 22.083 2.157 0.573 0.812 1.000 0.700 CB 1.568 11 residues pruned to eliminate duplicates Z: 18 39.288 2.282 0.978 0.897 1.000 0.824 CB 1.511 18 residues pruned to eliminate duplicates Z: 27 63.327 2.382 1.374 0.896 0.962 0.808 CB 1.636 27 residues pruned to eliminate duplicates Z: 27 60.056 2.334 1.465 0.895 0.962 0.846 CB 1.526 27 residues pruned to eliminate duplicates Z: 18 49.535 2.319 1.124 0.949 1.000 0.882 CB 1.683 18 residues pruned to eliminate duplicates Z: 17 33.469 2.207 0.746 0.905 1.000 1.000 CB 1.545 17 residues pruned to eliminate duplicates Z: 16 51.013 2.409 1.183 0.952 1.000 0.933 CB 1.725 16 residues pruned to eliminate duplicates Z: 18 37.054 2.165 0.746 0.887 1.000 0.882 CB 1.714 18 residues pruned to eliminate duplicates Z: 15 29.848 2.173 0.689 0.900 1.000 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 11 17.656 2.060 0.211 0.870 1.000 0.800 CB 1.634 11 residues pruned to eliminate duplicates Z: 16 36.872 2.326 0.649 0.922 1.000 0.933 CB 1.746 17 residues pruned to eliminate duplicates Z: 26 62.592 2.464 1.163 0.935 1.000 0.920 CB 1.637 26 residues pruned to eliminate duplicates Z: 14 32.043 2.203 1.076 0.902 0.923 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 18 35.886 2.272 0.962 0.863 1.000 0.882 CB 1.431 18 residues pruned to eliminate duplicates Z: 27 52.068 2.373 1.031 0.904 0.962 0.846 CB 1.569 27 residues pruned to eliminate duplicates Z: 27 62.211 2.406 1.346 0.920 1.000 0.885 CB 1.522 27 residues pruned to eliminate duplicates Z: 27 65.551 2.378 1.344 0.907 1.000 0.846 CB 1.640 27 residues pruned to eliminate duplicates Z: 18 37.602 2.290 0.810 0.907 0.941 0.882 CB 1.661 18 residues pruned to eliminate duplicates Z: 17 46.023 2.389 1.173 0.901 1.000 0.875 CB 1.582 18 residues pruned to eliminate duplicates Z: 19 44.949 2.280 1.266 0.953 1.000 0.944 CB 1.411 19 residues pruned to eliminate duplicates Z: 15 27.193 2.157 0.563 0.929 1.000 0.857 CB 1.508 15 residues pruned to eliminate duplicates Z: 17 37.853 2.256 0.746 0.914 1.000 1.000 CB 1.698 17 residues pruned to eliminate duplicates Z: 17 38.034 2.241 0.784 0.915 1.000 0.875 CB 1.680 16 residues pruned to eliminate duplicates Z: 16 50.281 2.376 1.132 0.944 1.000 0.867 CB 1.776 16 residues pruned to eliminate duplicates Z: 17 38.535 2.270 0.822 0.931 1.000 1.000 CB 1.628 17 residues pruned to eliminate duplicates Z: 16 35.277 2.264 0.770 0.927 1.000 1.000 CB 1.592 16 residues pruned to eliminate duplicates Z: 12 21.064 2.022 0.496 0.886 1.000 0.364 C 1.515 12 residues pruned to eliminate duplicates Z: 27 59.229 2.395 1.498 0.931 0.923 0.808 CB 1.470 27 residues pruned to eliminate duplicates Z: 15 50.071 2.410 1.139 0.950 1.000 1.000 CB 1.790 15 residues pruned to eliminate duplicates Z: 15 28.040 2.155 0.583 0.939 1.000 0.929 CB 1.526 15 residues pruned to eliminate duplicates Z: 18 43.353 2.295 1.255 0.929 1.000 0.882 CB 1.422 17 residues pruned to eliminate duplicates Z: 16 36.419 2.279 0.766 0.891 1.000 0.933 CB 1.681 16 residues pruned to eliminate duplicates Z: 10 22.649 2.295 0.295 0.919 1.000 1.000 CB 1.791 10 residues pruned to eliminate duplicates Z: 26 74.933 2.454 1.572 0.918 1.000 0.800 CB 1.674 26 residues pruned to eliminate duplicates Z: 18 36.140 2.388 0.815 0.940 0.941 0.824 CB 1.493 18 residues pruned to eliminate duplicates Z: 13 16.746 1.860 0.383 0.849 0.917 0.750 CB 1.520 11 residues pruned to eliminate duplicates Z: 27 55.886 2.401 1.189 0.914 0.962 0.885 CB 1.534 27 residues pruned to eliminate duplicates Z: 17 46.939 2.369 1.337 0.895 1.000 0.750 CB 1.520 17 residues pruned to eliminate duplicates Z: 17 52.738 2.413 1.095 0.935 1.000 0.812 CB 1.817 17 residues pruned to eliminate duplicates Z: 27 48.139 2.388 0.977 0.906 0.923 0.846 CB 1.541 27 residues pruned to eliminate duplicates Z: 17 38.847 2.290 0.755 0.907 1.000 0.875 CA 1.717 17 residues pruned to eliminate duplicates Z: 11 20.090 2.075 0.597 0.873 0.900 0.700 C 1.552 11 residues pruned to eliminate duplicates Z: 17 36.361 2.383 0.797 0.901 1.000 0.938 CB 1.515 17 residues pruned to eliminate duplicates Z: 17 40.226 2.400 0.968 0.898 0.875 0.875 CB 1.741 17 residues pruned to eliminate duplicates Z: 27 46.624 2.393 0.956 0.911 0.923 0.846 CB 1.501 27 residues pruned to eliminate duplicates Z: 16 32.608 2.299 0.539 0.929 1.000 1.000 CB 1.665 17 residues pruned to eliminate duplicates Z: 27 62.647 2.390 1.511 0.904 0.962 0.885 CB 1.517 27 residues pruned to eliminate duplicates Z: 17 47.137 2.322 1.370 0.908 1.000 0.875 CB 1.521 17 residues pruned to eliminate duplicates Z: 17 48.114 2.262 1.166 0.934 1.000 0.812 CB 1.712 17 residues pruned to eliminate duplicates Z: 18 39.065 2.265 0.989 0.903 1.000 0.882 CB 1.499 18 residues pruned to eliminate duplicates Z: 6 5.400 1.872 -0.046 0.801 0.800 0.600 CA 1.300 Z: 27 74.187 2.397 1.544 0.920 1.000 0.808 CB 1.680 27 residues pruned to eliminate duplicates Z: 27 59.329 2.389 1.347 0.943 0.962 0.731 CB 1.495 27 residues pruned to eliminate duplicates Z: 17 43.274 2.366 0.787 0.930 1.000 0.938 CB 1.789 17 residues pruned to eliminate duplicates Z: 7 12.157 1.854 0.450 0.804 1.000 0.667 CA 1.416 7 residues pruned to eliminate duplicates Z: 17 46.035 2.288 1.170 0.909 1.000 0.875 CB 1.644 17 residues pruned to eliminate duplicates Z: 27 61.746 2.355 1.204 0.909 1.000 0.808 CB 1.656 27 residues pruned to eliminate duplicates Z: 18 44.009 2.226 1.267 0.899 1.000 0.882 CB 1.513 18 residues pruned to eliminate duplicates Z: 16 43.338 2.333 0.899 0.910 1.000 0.800 CB 1.791 17 residues pruned to eliminate duplicates Z: 10 29.323 2.277 0.722 0.929 1.000 0.778 CB 1.744 11 residues pruned to eliminate duplicates Z: 16 47.233 2.429 1.066 0.934 1.000 0.933 CB 1.695 16 residues pruned to eliminate duplicates Z: 26 74.656 2.453 1.590 0.933 0.960 0.800 CB 1.708 27 residues pruned to eliminate duplicates Z: 18 43.335 2.326 0.847 0.936 1.000 0.882 CB 1.704 18 residues pruned to eliminate duplicates Z: 17 52.309 2.370 1.186 0.941 1.000 0.938 CB 1.753 17 residues pruned to eliminate duplicates Z: 6 9.319 1.933 0.668 0.440 1.000 0.800 CB 1.376 Z: 18 50.810 2.393 1.342 0.933 1.000 0.824 CB 1.534 18 residues pruned to eliminate duplicates Z: 9 32.772 2.420 0.870 0.788 1.000 0.500 C 1.988 10 residues pruned to eliminate duplicates Z: 15 46.781 2.431 1.172 0.942 1.000 0.929 CB 1.642 15 residues pruned to eliminate duplicates Z: 18 43.469 2.234 0.961 0.922 1.000 0.882 CB 1.693 18 residues pruned to eliminate duplicates Z: 17 43.859 2.226 0.965 0.922 1.000 0.875 C 1.764 17 residues pruned to eliminate duplicates Z: 18 45.279 2.278 1.131 0.912 0.941 0.824 CB 1.702 18 residues pruned to eliminate duplicates Z: 17 39.165 2.366 0.853 0.883 0.938 0.812 CB 1.723 17 residues pruned to eliminate duplicates Z: 7 10.271 1.723 0.412 0.845 1.000 0.833 CA 1.281 Z: 6 9.034 2.039 0.152 0.863 0.800 0.600 CA 1.578 5 residues pruned to eliminate duplicates Z: 17 44.375 2.320 0.987 0.921 0.938 0.938 CB 1.807 17 residues pruned to eliminate duplicates Z: 8 10.801 1.769 0.126 0.870 1.000 0.857 CB 1.496 Z: 17 41.383 2.248 0.916 0.934 1.000 0.938 CB 1.675 16 residues pruned to eliminate duplicates Z: 7 8.876 1.951 0.353 0.799 0.833 0.833 CA 1.268 7 residues pruned to eliminate duplicates Z: 14 15.866 1.934 0.292 0.897 1.000 0.846 CB 1.260 Z: 18 37.333 2.269 1.054 0.924 1.000 0.824 CB 1.364 18 residues pruned to eliminate duplicates Z: 16 52.858 2.362 1.273 0.934 1.000 0.933 CB 1.773 16 residues pruned to eliminate duplicates Z: 14 16.531 1.947 0.332 0.905 1.000 1.000 CB 1.258 14 residues pruned to eliminate duplicates Z: 18 42.770 2.312 0.958 0.929 1.000 1.000 CB 1.603 18 residues pruned to eliminate duplicates Z: 16 39.220 2.462 0.735 0.927 1.000 1.000 CB 1.662 16 residues pruned to eliminate duplicates Z: 17 47.143 2.325 1.214 0.928 1.000 0.812 CB 1.604 17 residues pruned to eliminate duplicates Z: 28 60.970 2.339 1.477 0.878 1.000 0.852 CB 1.469 28 residues pruned to eliminate duplicates Z: 27 60.740 2.354 1.399 0.893 0.962 0.885 CB 1.575 27 residues pruned to eliminate duplicates Z: 27 59.425 2.345 1.412 0.904 0.962 0.846 CB 1.526 27 residues pruned to eliminate duplicates Z: 16 48.104 2.365 1.141 0.938 1.000 0.933 CB 1.706 16 residues pruned to eliminate duplicates Z: 18 43.217 2.319 0.855 0.925 1.000 0.941 CB 1.710 18 residues pruned to eliminate duplicates Z: 17 50.130 2.262 1.481 0.936 1.000 0.875 CB 1.555 17 residues pruned to eliminate duplicates Z: 27 54.671 2.386 0.987 0.907 1.000 0.846 CB 1.607 27 residues pruned to eliminate duplicates Z: 27 57.568 2.394 1.238 0.924 0.962 0.808 CB 1.539 27 residues pruned to eliminate duplicates Z: 11 25.622 2.140 0.670 0.909 1.000 0.900 C 1.609 12 residues pruned to eliminate duplicates Z: 11 14.302 1.929 0.333 0.794 0.900 0.500 C 1.509 11 residues pruned to eliminate duplicates Z: 17 34.800 2.305 0.812 0.918 1.000 0.938 CB 1.468 17 residues pruned to eliminate duplicates Z: 19 43.744 2.232 0.980 0.900 1.000 0.833 CB 1.666 19 residues pruned to eliminate duplicates Z: 18 40.911 2.293 0.804 0.926 1.000 0.882 CB 1.682 18 residues pruned to eliminate duplicates Z: 18 48.695 2.326 1.125 0.923 1.000 0.882 CB 1.679 18 residues pruned to eliminate duplicates Z: 26 59.598 2.404 1.145 0.942 1.000 0.920 CB 1.603 26 residues pruned to eliminate duplicates Z: 17 33.634 2.355 0.786 0.892 1.000 0.875 CB 1.436 17 residues pruned to eliminate duplicates Z: 17 43.904 2.344 0.975 0.925 0.938 0.875 CB 1.775 16 residues pruned to eliminate duplicates Z: 42 35.051 2.120 0.830 0.537 0.878 0.439 CB 1.549 28 residues pruned to eliminate duplicates Z: 15 38.085 2.344 0.980 0.930 0.929 0.929 CB 1.652 15 residues pruned to eliminate duplicates Z: 13 24.024 2.016 0.681 0.905 1.000 0.917 CB 1.457 Z: 8 20.104 2.142 0.777 0.783 1.000 0.429 C 1.556 8 residues pruned to eliminate duplicates Z: 14 18.249 1.957 0.436 0.924 1.000 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 17 40.767 2.258 0.846 0.933 1.000 0.938 CB 1.706 17 residues pruned to eliminate duplicates Z: 13 25.638 2.050 0.705 0.905 1.000 0.833 CB 1.507 13 residues pruned to eliminate duplicates Z: 6 12.265 2.027 0.332 0.755 1.000 1.000 CA 1.619 6 residues pruned to eliminate duplicates Z: 14 17.435 1.963 0.406 0.925 1.000 0.923 CB 1.229 14 residues pruned to eliminate duplicates Z: 29 39.307 2.201 0.792 0.685 1.000 0.786 CB 1.589 30 residues pruned to eliminate duplicates Z: 6 9.396 1.736 0.330 0.844 1.000 0.400 CA 1.355 6 residues pruned to eliminate duplicates Z: 142 118.169 2.363 1.109 0.754 0.979 0.730 CB 1.627 130 residues pruned to eliminate duplicates Z: 7 13.862 1.891 0.484 0.773 1.000 0.667 CB 1.586 7 residues pruned to eliminate duplicates Z: 10 19.991 2.132 0.463 0.811 1.000 0.667 C 1.630 10 residues pruned to eliminate duplicates Z: 18 50.313 2.328 1.174 0.949 1.000 1.000 CB 1.665 18 residues pruned to eliminate duplicates Z: 19 28.517 2.215 0.810 0.853 0.889 0.889 CB 1.394 19 residues pruned to eliminate duplicates Z: 12 22.763 2.108 0.455 0.872 1.000 0.636 CB 1.630 12 residues pruned to eliminate duplicates Z: 17 39.441 2.335 1.117 0.876 0.938 0.812 CB 1.547 17 residues pruned to eliminate duplicates Z: 12 17.005 2.048 0.749 0.667 0.818 0.364 CA 1.499 10 residues pruned to eliminate duplicates Z: 11 18.395 2.042 0.545 0.722 0.900 0.400 CB 1.677 11 residues pruned to eliminate duplicates Z: 10 16.947 2.110 0.175 0.929 1.000 0.889 CA 1.594 10 residues pruned to eliminate duplicates Z: 20 35.214 2.340 0.859 0.876 0.947 0.789 CB 1.425 20 residues pruned to eliminate duplicates Z: 7 6.577 1.791 0.150 0.751 0.833 0.833 CA 1.250 7 residues pruned to eliminate duplicates Z: 18 29.881 2.300 1.086 0.876 0.882 0.765 CB 1.244 18 residues pruned to eliminate duplicates Z: 12 23.860 2.211 0.682 0.867 1.000 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 11 20.823 2.122 0.379 0.872 1.000 0.800 C 1.640 11 residues pruned to eliminate duplicates Z: 12 23.343 2.165 0.633 0.894 1.000 1.000 CB 1.427 12 residues pruned to eliminate duplicates Z: 18 36.208 2.104 0.810 0.902 1.000 0.824 CB 1.644 18 residues pruned to eliminate duplicates Z: 7 10.232 1.781 0.308 0.842 1.000 1.000 CB 1.336 7 residues pruned to eliminate duplicates Z: 27 51.693 2.412 1.025 0.931 0.923 0.923 CB 1.571 27 residues pruned to eliminate duplicates Z: 17 48.824 2.226 1.183 0.936 1.000 0.875 CA 1.749 17 residues pruned to eliminate duplicates Z: 12 24.289 2.215 0.642 0.887 1.000 1.000 CB 1.452 12 residues pruned to eliminate duplicates Z: 27 55.875 2.375 1.395 0.895 0.962 0.885 CB 1.437 27 residues pruned to eliminate duplicates Z: 17 41.979 2.264 1.001 0.904 1.000 0.875 CA 1.650 17 residues pruned to eliminate duplicates Z: 18 43.840 2.302 0.864 0.939 1.000 1.000 CB 1.723 18 residues pruned to eliminate duplicates Z: 12 20.236 1.903 0.593 0.901 1.000 0.545 CB 1.437 12 residues pruned to eliminate duplicates Z: 15 33.472 2.148 0.895 0.940 1.000 0.929 CB 1.526 15 residues pruned to eliminate duplicates Z: 11 22.775 2.196 0.552 0.906 1.000 1.000 CB 1.502 Z: 15 36.013 2.179 0.945 0.944 1.000 0.857 CB 1.572 15 residues pruned to eliminate duplicates Z: 6 12.811 2.199 0.179 0.891 1.000 0.800 CB 1.589 6 residues pruned to eliminate duplicates Z: 15 35.861 2.140 0.993 0.924 1.000 0.857 CB 1.579 15 residues pruned to eliminate duplicates Z: 10 23.419 2.134 0.696 0.767 1.000 0.778 CA 1.702 11 residues pruned to eliminate duplicates Z: 17 37.931 2.277 1.137 0.905 0.938 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 6 8.320 1.893 0.362 0.627 1.000 0.400 CB 1.280 Z: 11 16.480 2.017 0.351 0.834 0.900 0.900 CB 1.593 11 residues pruned to eliminate duplicates Z: 26 65.838 2.366 1.470 0.925 0.960 0.760 CB 1.647 26 residues pruned to eliminate duplicates Z: 13 14.608 1.928 0.224 0.934 1.000 1.000 CB 1.247 13 residues pruned to eliminate duplicates Z: 18 47.376 2.360 1.220 0.938 1.000 0.824 CB 1.525 18 residues pruned to eliminate duplicates Z: 28 59.459 2.334 1.522 0.890 0.963 0.741 CB 1.452 28 residues pruned to eliminate duplicates Z: 26 75.770 2.441 1.677 0.933 1.000 0.800 CB 1.618 26 residues pruned to eliminate duplicates Z: 129 102.837 2.313 1.095 0.718 0.969 0.695 CB 1.590 124 residues pruned to eliminate duplicates Z: 8 11.122 1.762 0.515 0.777 0.857 0.714 CA 1.438 8 residues pruned to eliminate duplicates Z: 27 61.380 2.369 1.418 0.934 0.962 0.885 CB 1.524 27 residues pruned to eliminate duplicates Z: 12 21.085 2.028 0.456 0.892 1.000 0.909 C 1.546 12 residues pruned to eliminate duplicates Z: 27 43.898 2.358 0.887 0.883 0.923 0.923 CB 1.516 27 residues pruned to eliminate duplicates Z: 18 41.705 2.319 0.865 0.900 1.000 0.824 CB 1.671 18 residues pruned to eliminate duplicates Z: 27 59.425 2.351 1.297 0.901 1.000 0.808 CB 1.541 27 residues pruned to eliminate duplicates Z: 10 22.425 2.236 0.692 0.727 0.889 0.556 C 1.812 12 residues pruned to eliminate duplicates Z: 17 42.858 2.357 0.882 0.934 1.000 0.938 CB 1.684 17 residues pruned to eliminate duplicates Z: 12 22.838 2.154 0.590 0.924 1.000 0.909 CB 1.412 12 residues pruned to eliminate duplicates Z: 16 35.024 2.291 0.732 0.927 1.000 1.000 CB 1.596 16 residues pruned to eliminate duplicates Z: 17 48.176 2.334 1.371 0.942 1.000 0.875 CB 1.509 17 residues pruned to eliminate duplicates Z: 18 41.460 2.349 0.876 0.894 0.941 0.882 CB 1.740 18 residues pruned to eliminate duplicates Z: 17 40.586 2.363 0.893 0.905 1.000 0.812 CB 1.614 17 residues pruned to eliminate duplicates Z: 11 14.128 1.996 0.285 0.836 0.900 0.700 CB 1.448 11 residues pruned to eliminate duplicates Z: 13 25.769 2.077 0.690 0.884 1.000 0.750 CB 1.532 13 residues pruned to eliminate duplicates Z: 28 25.883 2.004 0.601 0.660 1.000 0.704 CB 1.338 14 residues pruned to eliminate duplicates Z: 13 17.955 1.851 0.600 0.884 1.000 0.583 CB 1.264 13 residues pruned to eliminate duplicates Z: 89 77.613 2.268 0.942 0.742 0.955 0.693 CB 1.585 89 residues pruned to eliminate duplicates Z: 18 52.362 2.275 1.150 0.930 1.000 0.882 CA 1.815 18 residues pruned to eliminate duplicates Z: 158 102.750 2.304 0.933 0.693 0.955 0.701 CB 1.615 168 residues pruned to eliminate duplicates Z: 16 14.705 1.790 0.673 0.522 0.867 0.533 CA 1.431 16 residues pruned to eliminate duplicates Z: 14 15.612 1.919 0.278 0.941 1.000 0.923 CB 1.225 14 residues pruned to eliminate duplicates Z: 8 23.798 2.425 0.682 0.837 0.857 0.571 CA 1.925 8 residues pruned to eliminate duplicates Z: 9 7.050 1.651 0.075 0.664 0.875 0.500 C 1.379 6 residues pruned to eliminate duplicates Z: 26 64.248 2.425 1.496 0.908 0.960 0.800 CB 1.571 26 residues pruned to eliminate duplicates Z: 27 57.597 2.331 1.232 0.908 0.962 0.808 CB 1.603 27 residues pruned to eliminate duplicates Z: 14 27.258 2.170 0.759 0.926 0.923 0.846 CB 1.505 14 residues pruned to eliminate duplicates Z: 10 13.243 1.970 0.341 0.724 0.889 0.444 C 1.537 Z: 17 38.883 2.172 0.982 0.915 0.938 0.875 CB 1.702 17 residues pruned to eliminate duplicates Z: 27 55.725 2.287 1.367 0.920 0.962 0.654 CB 1.478 27 residues pruned to eliminate duplicates Z: 13 21.144 2.048 0.476 0.890 1.000 0.667 CB 1.453 13 residues pruned to eliminate duplicates Z: 146 110.321 2.303 1.113 0.728 0.952 0.717 CB 1.610 156 residues pruned to eliminate duplicates Z: 20 41.986 2.276 1.006 0.893 0.947 0.895 CB 1.599 20 residues pruned to eliminate duplicates Z: 12 20.563 2.018 0.440 0.907 1.000 0.909 CB 1.516 12 residues pruned to eliminate duplicates Z: 17 35.450 2.234 0.675 0.896 1.000 0.938 CB 1.696 17 residues pruned to eliminate duplicates Z: 38 36.969 2.203 0.778 0.587 0.946 0.595 CB 1.509 38 residues pruned to eliminate duplicates Z: 141 115.982 2.353 1.038 0.745 0.979 0.736 CB 1.678 142 residues pruned to eliminate duplicates Z: 26 65.031 2.388 1.531 0.923 1.000 0.560 CB 1.512 26 residues pruned to eliminate duplicates Z: 20 45.811 2.201 1.102 0.840 1.000 0.842 CB 1.695 20 residues pruned to eliminate duplicates Z: 18 50.949 2.301 1.250 0.934 1.000 0.882 CB 1.665 18 residues pruned to eliminate duplicates Z: 7 17.196 2.030 0.485 0.893 1.000 1.000 CB 1.672 6 residues pruned to eliminate duplicates Z: 17 43.556 2.230 1.045 0.925 1.000 0.875 CB 1.675 17 residues pruned to eliminate duplicates Z: 35 26.998 1.991 0.763 0.585 0.941 0.588 CB 1.291 28 residues pruned to eliminate duplicates Z: 6 11.344 1.939 0.776 0.624 1.000 0.400 CB 1.311 6 residues pruned to eliminate duplicates Z: 58 51.162 2.134 0.824 0.662 0.965 0.596 CB 1.552 52 residues pruned to eliminate duplicates Z: 15 29.872 2.133 0.775 0.918 1.000 0.857 CB 1.488 15 residues pruned to eliminate duplicates Z: 43 35.292 2.070 0.814 0.619 0.905 0.571 CB 1.432 43 residues pruned to eliminate duplicates Z: 11 22.983 2.330 0.414 0.881 1.000 0.800 CB 1.598 11 residues pruned to eliminate duplicates Z: 12 17.363 2.025 0.462 0.825 0.909 0.818 CB 1.468 12 residues pruned to eliminate duplicates Z: 44 38.668 2.234 0.675 0.580 0.907 0.558 CB 1.610 45 residues pruned to eliminate duplicates Z: 13 17.689 1.934 0.540 0.893 1.000 0.833 CB 1.231 13 residues pruned to eliminate duplicates Z: 17 40.862 2.250 0.860 0.913 1.000 0.750 CB 1.728 17 residues pruned to eliminate duplicates Z: 15 22.835 2.193 0.403 0.870 1.000 0.929 CB 1.448 15 residues pruned to eliminate duplicates Z: 11 16.978 1.977 0.309 0.815 1.000 0.700 CB 1.578 11 residues pruned to eliminate duplicates Z: 31 31.471 2.087 0.740 0.580 0.967 0.733 CB 1.515 31 residues pruned to eliminate duplicates Z: 6 5.411 2.067 0.271 0.688 0.600 0.600 CB 1.292 6 residues pruned to eliminate duplicates Z: 18 41.847 2.279 0.768 0.922 1.000 0.882 CA 1.771 18 residues pruned to eliminate duplicates Z: 21 41.536 2.289 1.277 0.740 0.900 0.750 CB 1.597 21 residues pruned to eliminate duplicates Z: 12 20.425 2.032 0.508 0.879 1.000 0.727 CB 1.458 12 residues pruned to eliminate duplicates Z: 12 20.716 2.185 0.423 0.907 1.000 0.818 CB 1.428 12 residues pruned to eliminate duplicates Z: 12 14.976 2.073 0.179 0.885 1.000 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 33 36.001 2.189 0.892 0.589 0.938 0.719 CB 1.506 33 residues pruned to eliminate duplicates Z: 17 42.335 2.285 0.831 0.914 1.000 0.875 CA 1.789 17 residues pruned to eliminate duplicates Z: 17 57.035 2.339 1.353 0.947 1.000 0.812 CB 1.790 17 residues pruned to eliminate duplicates Z: 17 41.004 2.286 0.835 0.927 1.000 1.000 CB 1.712 17 residues pruned to eliminate duplicates Z: 12 21.792 2.131 0.561 0.887 1.000 0.909 CB 1.423 12 residues pruned to eliminate duplicates Z: 18 35.983 2.149 0.960 0.849 0.941 0.765 CB 1.632 18 residues pruned to eliminate duplicates Z: 16 33.548 2.278 0.660 0.917 1.000 1.000 CB 1.616 16 residues pruned to eliminate duplicates Z: 6 6.229 1.699 0.092 0.758 1.000 1.000 CB 1.193 6 residues pruned to eliminate duplicates Z: 6 5.315 1.917 -0.042 0.813 1.000 0.800 CB 0.986 6 residues pruned to eliminate duplicates Z: 27 22.867 2.000 0.518 0.697 0.923 0.808 CB 1.337 27 residues pruned to eliminate duplicates Z: 6 11.937 1.955 0.850 0.615 1.000 0.400 CB 1.324 6 residues pruned to eliminate duplicates Z: 42 56.625 2.281 1.261 0.756 0.927 0.805 CB 1.472 42 residues pruned to eliminate duplicates Z: 12 17.123 1.930 0.244 0.883 1.000 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 15 36.324 2.285 0.895 0.924 1.000 1.000 CB 1.575 15 residues pruned to eliminate duplicates Z: 13 35.435 2.235 0.999 0.941 1.000 0.833 CB 1.589 13 residues pruned to eliminate duplicates Z: 11 20.950 2.137 0.346 0.881 1.000 0.800 C 1.668 11 residues pruned to eliminate duplicates Z: 17 44.879 2.251 1.191 0.919 1.000 0.938 CB 1.603 17 residues pruned to eliminate duplicates Z: 30 29.324 2.076 0.656 0.622 0.966 0.724 CB 1.463 30 residues pruned to eliminate duplicates Z: 7 14.083 1.665 1.042 0.737 1.000 0.500 CB 1.367 7 residues pruned to eliminate duplicates Z: 17 42.071 2.266 0.994 0.918 1.000 1.000 CB 1.642 17 residues pruned to eliminate duplicates Z: 43 46.307 2.206 0.831 0.600 0.976 0.595 CB 1.647 42 residues pruned to eliminate duplicates Z: 17 40.282 2.432 0.915 0.902 1.000 0.812 CB 1.541 17 residues pruned to eliminate duplicates Z: 12 5.186 1.690 0.390 0.322 0.727 0.364 CB 1.114 12 residues pruned to eliminate duplicates Z: 16 38.003 2.302 0.807 0.944 1.000 1.000 CB 1.634 16 residues pruned to eliminate duplicates Z: 17 39.971 2.282 0.776 0.887 1.000 0.875 CA 1.778 17 residues pruned to eliminate duplicates Z: 15 19.911 1.913 0.599 0.936 1.000 0.857 CB 1.212 15 residues pruned to eliminate duplicates Z: 8 8.589 1.550 0.369 0.870 1.000 0.857 C 1.116 8 residues pruned to eliminate duplicates Z: 14 20.520 1.951 0.714 0.930 0.923 0.692 CB 1.289 14 residues pruned to eliminate duplicates Z: 12 16.180 2.027 0.451 0.793 0.909 0.727 CB 1.412 12 residues pruned to eliminate duplicates Z: 123 101.631 2.342 1.071 0.733 0.967 0.730 CB 1.590 123 residues pruned to eliminate duplicates Z: 56 45.571 2.101 0.837 0.624 0.927 0.564 CB 1.528 56 residues pruned to eliminate duplicates Z: 16 38.980 2.279 0.933 0.937 1.000 0.867 CB 1.589 16 residues pruned to eliminate duplicates Z: 38 56.476 2.376 0.981 0.788 0.946 0.865 CB 1.620 38 residues pruned to eliminate duplicates Z: 42 34.288 2.065 0.614 0.618 1.000 0.634 CB 1.437 42 residues pruned to eliminate duplicates Z: 17 41.554 2.374 0.765 0.919 1.000 0.938 CB 1.746 17 residues pruned to eliminate duplicates Z: 38 60.042 2.374 1.061 0.793 0.946 0.838 CB 1.650 38 residues pruned to eliminate duplicates Z: 25 66.845 2.462 1.402 0.930 1.000 0.958 CB 1.614 25 residues pruned to eliminate duplicates Z: 29 25.917 1.988 0.587 0.641 1.000 0.750 CB 1.360 29 residues pruned to eliminate duplicates Z: 89 75.859 2.308 0.836 0.719 0.977 0.716 CB 1.602 89 residues pruned to eliminate duplicates Z: 26 74.068 2.380 1.718 0.893 1.000 0.800 CB 1.644 26 residues pruned to eliminate duplicates Z: 15 24.035 1.916 0.832 0.921 1.000 0.857 CB 1.288 15 residues pruned to eliminate duplicates Z: 28 26.931 2.014 0.711 0.648 1.000 0.778 CB 1.310 28 residues pruned to eliminate duplicates Z: 10 15.639 2.153 0.487 0.713 0.778 0.333 C 1.725 10 residues pruned to eliminate duplicates Z: 18 32.649 2.148 0.841 0.910 0.941 0.941 CB 1.509 18 residues pruned to eliminate duplicates Z: 15 35.168 2.268 0.822 0.907 1.000 0.857 CB 1.617 15 residues pruned to eliminate duplicates Z: 12 21.973 2.031 0.496 0.897 1.000 1.000 C 1.561 12 residues pruned to eliminate duplicates Z: 17 39.245 2.328 1.274 0.910 0.875 0.688 CB 1.502 17 residues pruned to eliminate duplicates Z: 70 64.758 2.238 0.856 0.695 0.942 0.725 CB 1.668 70 residues pruned to eliminate duplicates Z: 27 57.351 2.371 1.281 0.926 0.962 0.846 CB 1.516 27 residues pruned to eliminate duplicates Z: 7 13.969 1.995 0.461 0.886 1.000 0.833 CB 1.412 7 residues pruned to eliminate duplicates Z: 9 12.800 1.987 0.499 0.599 0.875 0.875 CA 1.580 9 residues pruned to eliminate duplicates Z: 17 36.147 2.348 0.794 0.928 1.000 1.000 CB 1.502 17 residues pruned to eliminate duplicates Z: 12 14.722 1.994 0.166 0.756 1.000 0.727 CB 1.520 12 residues pruned to eliminate duplicates Z: 27 57.329 2.295 1.433 0.875 0.962 0.654 CB 1.524 27 residues pruned to eliminate duplicates Z: 12 18.713 2.090 0.366 0.905 1.000 0.818 CB 1.406 12 residues pruned to eliminate duplicates Z: 17 46.286 2.355 1.102 0.932 1.000 0.875 CB 1.632 17 residues pruned to eliminate duplicates Z: 16 47.740 2.219 1.357 0.918 1.000 0.867 CB 1.661 16 residues pruned to eliminate duplicates Z: 17 35.784 2.243 0.809 0.885 1.000 0.875 CB 1.592 17 residues pruned to eliminate duplicates Z: 131 94.984 2.307 0.951 0.707 0.969 0.746 CB 1.582 131 residues pruned to eliminate duplicates Z: 13 25.417 2.240 0.785 0.917 0.917 0.917 CB 1.413 13 residues pruned to eliminate duplicates Z: 27 32.058 2.153 0.692 0.713 0.962 0.923 CB 1.480 27 residues pruned to eliminate duplicates Z: 13 20.940 2.011 0.647 0.835 1.000 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 76 64.252 2.239 0.875 0.721 0.947 0.613 CB 1.529 76 residues pruned to eliminate duplicates Z: 28 35.112 2.166 0.785 0.640 1.000 0.741 CB 1.533 28 residues pruned to eliminate duplicates Z: 29 25.649 1.990 0.602 0.643 1.000 0.679 CB 1.331 29 residues pruned to eliminate duplicates Z: 25 67.857 2.423 1.546 0.952 1.000 0.833 CB 1.546 25 residues pruned to eliminate duplicates Z: 37 40.841 2.181 0.961 0.580 0.944 0.694 CB 1.561 37 residues pruned to eliminate duplicates Z: 17 29.890 2.219 0.490 0.900 1.000 1.000 CB 1.614 17 residues pruned to eliminate duplicates Z: 16 41.210 2.299 0.866 0.903 1.000 0.933 CA 1.768 16 residues pruned to eliminate duplicates Z: 11 13.723 2.201 0.476 0.798 0.700 0.700 CB 1.471 11 residues pruned to eliminate duplicates Z: 68 68.018 2.284 1.004 0.708 0.970 0.612 CB 1.549 68 residues pruned to eliminate duplicates Z: 12 16.798 2.007 0.479 0.835 0.909 0.727 CB 1.407 12 residues pruned to eliminate duplicates Z: 10 17.640 2.091 0.749 0.800 0.889 0.444 CB 1.391 10 residues pruned to eliminate duplicates Z: 19 41.417 2.224 1.225 0.940 0.944 0.944 CB 1.451 19 residues pruned to eliminate duplicates Z: 16 36.207 2.144 1.275 0.933 0.867 0.667 CB 1.543 16 residues pruned to eliminate duplicates Z: 15 20.419 2.193 0.641 0.549 0.857 0.500 CB 1.687 15 residues pruned to eliminate duplicates Z: 49 59.248 2.276 1.057 0.711 0.938 0.771 CB 1.610 49 residues pruned to eliminate duplicates Z: 14 27.888 2.137 0.563 0.932 1.000 1.000 CB 1.617 14 residues pruned to eliminate duplicates Z: 10 13.597 2.030 0.041 0.903 1.000 1.000 C 1.529 10 residues pruned to eliminate duplicates Z: 8 12.724 1.679 0.559 0.802 1.000 0.714 CA 1.411 8 residues pruned to eliminate duplicates Z: 16 25.812 2.207 0.525 0.882 1.000 0.933 CB 1.432 16 residues pruned to eliminate duplicates Z: 54 53.274 2.235 0.872 0.658 0.962 0.642 CB 1.570 54 residues pruned to eliminate duplicates Z: 18 37.917 2.304 0.802 0.912 1.000 0.941 CB 1.568 18 residues pruned to eliminate duplicates Z: 96 78.835 2.306 0.874 0.713 0.968 0.695 CB 1.593 96 residues pruned to eliminate duplicates Z: 55 60.731 2.298 0.812 0.736 0.981 0.741 CB 1.637 55 residues pruned to eliminate duplicates Z: 29 51.154 2.279 0.946 0.768 0.929 0.643 CB 1.852 29 residues pruned to eliminate duplicates Z: 7 8.623 1.862 0.829 0.400 0.833 0.667 CB 1.379 7 residues pruned to eliminate duplicates Z: 17 42.626 2.341 0.890 0.936 1.000 1.000 CB 1.677 17 residues pruned to eliminate duplicates Z: 123 98.469 2.318 1.071 0.729 0.967 0.787 CB 1.563 123 residues pruned to eliminate duplicates Z: 10 18.291 2.142 0.567 0.751 0.889 0.444 CA 1.634 10 residues pruned to eliminate duplicates Z: 76 72.537 2.275 1.044 0.716 0.960 0.733 CB 1.543 76 residues pruned to eliminate duplicates Z: 75 70.940 2.256 1.082 0.703 0.946 0.676 CB 1.543 75 residues pruned to eliminate duplicates Z: 17 37.392 2.234 0.714 0.919 1.000 0.938 CB 1.720 17 residues pruned to eliminate duplicates Z: 12 17.121 1.755 0.722 0.879 1.000 0.636 CB 1.239 12 residues pruned to eliminate duplicates Z: 38 38.735 2.129 0.882 0.565 0.973 0.595 CB 1.533 39 residues pruned to eliminate duplicates Z: 14 35.390 2.182 0.977 0.948 1.000 0.923 CB 1.571 14 residues pruned to eliminate duplicates Z: 19 39.508 2.135 0.976 0.869 1.000 0.833 CB 1.613 19 residues pruned to eliminate duplicates Z: 12 18.696 2.006 0.409 0.884 1.000 0.636 CB 1.441 12 residues pruned to eliminate duplicates Z: 57 63.765 2.311 0.952 0.672 0.964 0.714 CB 1.671 57 residues pruned to eliminate duplicates Z: 25 35.644 2.106 0.876 0.663 0.958 0.625 CB 1.652 25 residues pruned to eliminate duplicates Z: 18 41.605 2.270 1.063 0.892 1.000 0.824 CB 1.548 18 residues pruned to eliminate duplicates Z: 15 19.185 2.062 0.764 0.456 1.000 0.500 CB 1.475 15 residues pruned to eliminate duplicates Z: 16 20.551 2.130 0.717 0.917 0.733 0.667 CB 1.396 16 residues pruned to eliminate duplicates Z: 73 79.405 2.334 0.963 0.753 0.986 0.778 CB 1.653 73 residues pruned to eliminate duplicates Z: 17 34.953 2.243 0.719 0.934 1.000 1.000 CB 1.580 17 residues pruned to eliminate duplicates Z: 59 57.615 2.278 0.826 0.663 0.931 0.707 CB 1.679 59 residues pruned to eliminate duplicates Z: 68 57.919 2.223 0.930 0.657 0.940 0.701 CB 1.516 68 residues pruned to eliminate duplicates Z: 20 43.039 2.331 1.228 0.882 0.947 0.737 CB 1.452 20 residues pruned to eliminate duplicates Z: 127 95.240 2.320 0.926 0.727 0.960 0.706 CB 1.612 127 residues pruned to eliminate duplicates Z: 14 24.742 2.076 0.494 0.938 1.000 1.000 CB 1.539 14 residues pruned to eliminate duplicates Z: 16 35.014 2.257 0.760 0.933 1.000 1.000 CB 1.588 16 residues pruned to eliminate duplicates Z: 12 28.769 2.194 1.100 0.872 1.000 1.000 CB 1.373 12 residues pruned to eliminate duplicates Z: 77 74.261 2.316 1.010 0.732 0.961 0.776 CB 1.547 77 residues pruned to eliminate duplicates Z: 141 106.732 2.322 1.033 0.718 0.964 0.679 CB 1.627 141 residues pruned to eliminate duplicates Z: 92 84.776 2.316 0.949 0.753 0.978 0.791 CB 1.607 92 residues pruned to eliminate duplicates Z: 18 36.698 2.171 0.649 0.939 1.000 0.941 CB 1.727 18 residues pruned to eliminate duplicates Z: 14 21.532 1.949 0.698 0.940 1.000 0.846 CB 1.253 14 residues pruned to eliminate duplicates Z: 17 43.933 2.441 1.060 0.943 1.000 1.000 CB 1.513 17 residues pruned to eliminate duplicates Z: 53 67.698 2.302 1.051 0.756 0.981 0.827 CB 1.615 53 residues pruned to eliminate duplicates Z: 9 15.866 1.998 1.006 0.661 0.875 0.875 CB 1.377 9 residues pruned to eliminate duplicates Z: 75 70.756 2.312 0.866 0.702 0.973 0.757 CB 1.630 75 residues pruned to eliminate duplicates Z: 12 15.458 2.024 0.381 0.645 0.909 0.455 CA 1.603 12 residues pruned to eliminate duplicates Z: 14 22.438 2.183 0.618 0.618 0.923 0.538 CB 1.708 14 residues pruned to eliminate duplicates Z: 17 39.719 2.186 0.974 0.867 1.000 0.688 CB 1.683 17 residues pruned to eliminate duplicates Z: 6 2.413 1.246 0.252 0.336 0.800 0.400 O 1.035 Z: 16 15.984 2.002 0.638 0.422 1.000 0.600 CB 1.365 16 residues pruned to eliminate duplicates Z: 6 13.826 2.139 0.719 0.863 1.000 1.000 CB 1.234 6 residues pruned to eliminate duplicates Z: 12 9.275 1.648 0.530 0.556 0.818 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 8 3.158 1.549 0.411 0.350 0.857 0.429 CB 0.749 Z: 36 39.982 2.186 0.703 0.716 0.971 0.743 CB 1.537 36 residues pruned to eliminate duplicates Z: 12 13.092 1.906 0.470 0.793 0.818 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 26.467 2.206 0.623 0.836 1.000 1.000 CB 1.597 13 residues pruned to eliminate duplicates Z: 13 38.698 2.388 0.928 0.850 1.000 1.000 CB 1.798 13 residues pruned to eliminate duplicates Z: 88 83.767 2.337 1.031 0.685 0.966 0.690 CB 1.653 88 residues pruned to eliminate duplicates Z: 17 33.047 2.234 0.617 0.909 1.000 1.000 CB 1.623 17 residues pruned to eliminate duplicates Z: 6 4.618 1.474 0.657 0.385 1.000 0.600 CA 0.955 Z: 40 48.203 2.126 1.232 0.685 0.923 0.744 CB 1.487 40 residues pruned to eliminate duplicates Z: 58 57.853 2.230 0.814 0.720 0.965 0.719 CB 1.610 58 residues pruned to eliminate duplicates Z: 26 42.858 2.305 0.898 0.888 0.960 0.840 CB 1.470 26 residues pruned to eliminate duplicates Z: 15 45.586 2.279 1.277 0.775 1.000 0.714 CB 1.842 15 residues pruned to eliminate duplicates Z: 27 65.815 2.293 1.543 0.930 1.000 0.808 CB 1.548 27 residues pruned to eliminate duplicates Z: 31 23.687 1.950 0.569 0.630 0.933 0.600 CB 1.340 31 residues pruned to eliminate duplicates Z: 87 76.009 2.315 0.792 0.748 0.988 0.744 CB 1.602 87 residues pruned to eliminate duplicates Z: 67 70.630 2.254 1.042 0.732 0.970 0.727 CB 1.580 67 residues pruned to eliminate duplicates Z: 15 49.201 2.315 1.361 0.938 1.000 0.857 CB 1.674 15 residues pruned to eliminate duplicates Z: 49 51.161 2.178 0.841 0.655 0.979 0.646 CB 1.628 49 residues pruned to eliminate duplicates Z: 77 63.398 2.164 0.967 0.658 0.961 0.724 CB 1.536 77 residues pruned to eliminate duplicates Z: 8 22.372 2.069 0.891 0.782 1.000 0.429 C 1.685 8 residues pruned to eliminate duplicates Z: 39 41.572 2.236 0.767 0.672 0.921 0.789 CB 1.580 39 residues pruned to eliminate duplicates Z: 29 36.184 2.198 0.814 0.653 1.000 0.571 CB 1.488 29 residues pruned to eliminate duplicates Z: 17 37.495 2.244 0.885 0.910 1.000 0.875 CB 1.571 17 residues pruned to eliminate duplicates Z: 37 50.297 2.282 1.317 0.733 0.861 0.722 CB 1.494 37 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 184 B: 184 CC for partial structure against native data = 43.08 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.500, Connect. = 0.812 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.825 for dens.mod. cycle 2 = 0.300, Contrast = 0.687, Connect. = 0.848 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.850 for dens.mod. cycle 4 = 0.300, Contrast = 0.710, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.721, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.725, Connect. = 0.854 for dens.mod. cycle 8 = 0.300, Contrast = 0.729, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.731, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2535 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 597 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 67.625 2.458 1.018 0.918 1.000 0.885 CB 1.885 B: 26 73.622 2.558 1.051 0.931 1.000 0.880 CB 1.962 27 residues pruned to eliminate duplicates C: 27 61.136 2.461 1.097 0.926 0.923 0.846 CB 1.765 D: 27 67.560 2.437 1.038 0.937 1.000 0.962 CB 1.857 27 residues pruned to eliminate duplicates E: 19 41.791 2.260 0.681 0.902 1.000 0.833 CB 1.850 F: 27 70.093 2.475 1.055 0.902 1.000 0.846 CB 1.928 27 residues pruned to eliminate duplicates G: 27 71.982 2.443 1.349 0.924 0.962 0.654 CB 1.797 27 residues pruned to eliminate duplicates H: 26 84.870 2.586 1.257 0.930 1.000 0.960 CB 2.034 26 residues pruned to eliminate duplicates I: 18 38.482 2.377 0.688 0.894 1.000 0.882 CB 1.669 J: 17 39.514 2.387 0.782 0.925 0.938 0.875 CB 1.738 K: 16 60.798 2.487 1.305 0.931 1.000 0.867 CB 1.913 16 residues pruned to eliminate duplicates L: 18 50.284 2.401 0.918 0.937 0.941 0.882 C 1.959 19 residues pruned to eliminate duplicates M: 18 48.148 2.377 0.780 0.922 1.000 0.941 CB 1.941 18 residues pruned to eliminate duplicates N: 17 39.432 2.404 0.523 0.919 1.000 1.000 CA 1.897 O: 13 24.832 2.161 0.549 0.910 0.917 0.750 CB 1.657 13 residues pruned to eliminate duplicates P: 18 42.638 2.316 0.795 0.908 1.000 0.824 CB 1.766 18 residues pruned to eliminate duplicates Q: 18 47.026 2.378 1.115 0.932 1.000 1.000 CB 1.583 R: 18 40.408 2.435 0.551 0.907 1.000 0.882 CB 1.843 18 residues pruned to eliminate duplicates S: 27 78.361 2.473 1.379 0.942 1.000 0.808 CB 1.812 27 residues pruned to eliminate duplicates T: 17 52.862 2.543 0.906 0.954 1.000 1.000 CB 1.875 17 residues pruned to eliminate duplicates U: 19 43.854 2.232 0.849 0.929 0.944 0.889 CA 1.855 19 residues pruned to eliminate duplicates V: 16 37.658 2.259 0.643 0.887 1.000 0.800 CB 1.890 W: 17 39.733 2.465 0.816 0.875 0.875 0.812 CB 1.844 17 residues pruned to eliminate duplicates X: 17 36.250 2.368 0.502 0.917 1.000 0.938 CA 1.798 17 residues pruned to eliminate duplicates Y: 27 70.387 2.438 1.308 0.907 0.962 0.538 CB 1.813 27 residues pruned to eliminate duplicates Z: 18 42.296 2.412 0.629 0.945 1.000 1.000 CB 1.807 Z: 14 31.337 2.367 0.441 0.940 1.000 0.923 CB 1.770 14 residues pruned to eliminate duplicates Z: 26 90.062 2.560 1.473 0.933 1.000 0.880 CB 1.985 26 residues pruned to eliminate duplicates Z: 14 42.709 2.381 0.889 0.932 1.000 0.923 CB 1.840 15 residues pruned to eliminate duplicates Z: 14 36.867 2.379 0.632 0.937 1.000 0.923 CB 1.832 14 residues pruned to eliminate duplicates Z: 17 37.593 2.458 0.519 0.921 1.000 0.938 CB 1.771 17 residues pruned to eliminate duplicates Z: 19 39.326 2.259 1.019 0.884 1.000 0.833 CB 1.468 19 residues pruned to eliminate duplicates Z: 18 43.922 2.463 0.702 0.855 0.941 0.765 CA 1.993 18 residues pruned to eliminate duplicates Z: 17 57.171 2.425 1.064 0.935 1.000 0.875 CA 1.989 Z: 19 40.645 2.421 0.567 0.920 1.000 0.944 CB 1.779 19 residues pruned to eliminate duplicates Z: 20 39.551 2.368 0.513 0.937 1.000 0.947 CB 1.763 20 residues pruned to eliminate duplicates Z: 19 48.458 2.409 0.977 0.918 0.944 0.833 CB 1.790 19 residues pruned to eliminate duplicates Z: 18 39.020 2.328 0.619 0.933 1.000 0.882 CA 1.753 18 residues pruned to eliminate duplicates Z: 18 45.564 2.365 0.903 0.893 1.000 0.824 CB 1.762 18 residues pruned to eliminate duplicates Z: 27 73.042 2.439 1.227 0.943 0.962 0.846 CB 1.901 27 residues pruned to eliminate duplicates Z: 17 34.169 2.164 0.549 0.905 1.000 0.812 C 1.813 17 residues pruned to eliminate duplicates Z: 16 40.664 2.432 0.602 0.896 1.000 0.800 CB 1.930 16 residues pruned to eliminate duplicates Z: 16 43.759 2.413 0.674 0.919 1.000 1.000 CB 1.971 16 residues pruned to eliminate duplicates Z: 18 41.193 2.422 0.820 0.877 0.941 0.941 CB 1.749 18 residues pruned to eliminate duplicates Z: 18 48.861 2.391 1.037 0.901 1.000 0.882 CB 1.736 18 residues pruned to eliminate duplicates Z: 17 42.092 2.263 1.096 0.881 0.938 0.875 CB 1.713 17 residues pruned to eliminate duplicates Z: 18 42.921 2.378 0.686 0.925 1.000 0.941 CB 1.822 18 residues pruned to eliminate duplicates Z: 28 51.197 2.378 0.746 0.902 0.963 0.889 CB 1.758 27 residues pruned to eliminate duplicates Z: 19 40.622 2.355 0.624 0.914 1.000 0.944 CA 1.770 18 residues pruned to eliminate duplicates Z: 18 46.076 2.377 0.910 0.900 1.000 0.824 CB 1.759 18 residues pruned to eliminate duplicates Z: 18 38.405 2.382 0.683 0.935 0.941 0.941 CB 1.720 18 residues pruned to eliminate duplicates Z: 27 59.160 2.483 0.842 0.919 0.962 0.846 CB 1.859 27 residues pruned to eliminate duplicates Z: 11 17.184 2.164 0.299 0.780 0.900 0.400 CA 1.677 Z: 26 70.177 2.576 1.054 0.932 0.960 0.880 CB 1.929 26 residues pruned to eliminate duplicates Z: 27 68.120 2.481 1.097 0.914 1.000 0.731 CB 1.816 28 residues pruned to eliminate duplicates Z: 18 39.226 2.336 0.697 0.933 0.941 0.882 CB 1.779 18 residues pruned to eliminate duplicates Z: 17 41.078 2.413 0.606 0.911 1.000 0.812 CA 1.878 17 residues pruned to eliminate duplicates Z: 26 89.917 2.564 1.430 0.939 1.000 0.760 CB 2.006 26 residues pruned to eliminate duplicates Z: 16 42.849 2.458 0.638 0.890 1.000 0.667 CB 1.977 16 residues pruned to eliminate duplicates Z: 18 39.492 2.379 0.621 0.931 1.000 0.941 CB 1.735 18 residues pruned to eliminate duplicates Z: 16 53.789 2.455 0.958 0.959 1.000 1.000 CB 1.980 18 residues pruned to eliminate duplicates Z: 18 36.828 2.369 0.876 0.897 0.941 0.882 CB 1.529 18 residues pruned to eliminate duplicates Z: 17 36.081 2.404 0.652 0.926 0.938 0.938 CB 1.698 17 residues pruned to eliminate duplicates Z: 17 54.789 2.402 1.053 0.937 1.000 0.938 CB 1.933 17 residues pruned to eliminate duplicates Z: 11 31.121 2.337 0.599 0.878 1.000 0.800 CB 1.912 11 residues pruned to eliminate duplicates Z: 28 55.824 2.381 0.824 0.903 1.000 0.926 CB 1.763 28 residues pruned to eliminate duplicates Z: 19 37.308 2.330 0.641 0.829 0.944 0.833 CB 1.832 19 residues pruned to eliminate duplicates Z: 17 40.756 2.471 0.618 0.927 1.000 0.938 CB 1.787 17 residues pruned to eliminate duplicates Z: 17 55.846 2.421 1.032 0.931 1.000 0.938 CB 1.983 17 residues pruned to eliminate duplicates Z: 18 47.238 2.323 0.958 0.909 0.941 0.824 CA 1.900 18 residues pruned to eliminate duplicates Z: 11 15.863 2.150 0.663 0.719 0.700 0.400 C 1.644 Z: 18 45.216 2.498 0.734 0.913 0.941 0.824 CB 1.903 18 residues pruned to eliminate duplicates Z: 18 39.652 2.344 0.762 0.911 1.000 0.882 CB 1.650 18 residues pruned to eliminate duplicates Z: 18 42.998 2.400 0.889 0.911 1.000 0.882 CB 1.630 18 residues pruned to eliminate duplicates Z: 16 49.580 2.540 0.762 0.940 1.000 0.933 CB 1.987 16 residues pruned to eliminate duplicates Z: 18 50.789 2.471 0.970 0.932 1.000 0.824 CB 1.766 18 residues pruned to eliminate duplicates Z: 27 72.003 2.465 1.101 0.926 1.000 0.962 CB 1.911 27 residues pruned to eliminate duplicates Z: 27 61.829 2.468 0.977 0.929 0.962 0.923 CB 1.808 27 residues pruned to eliminate duplicates Z: 27 76.041 2.476 1.270 0.916 0.962 0.885 CB 1.949 27 residues pruned to eliminate duplicates Z: 18 45.195 2.392 0.841 0.914 1.000 0.882 CB 1.760 18 residues pruned to eliminate duplicates Z: 17 44.616 2.420 0.918 0.915 0.938 0.875 CB 1.811 17 residues pruned to eliminate duplicates Z: 16 32.340 2.389 0.379 0.912 1.000 0.933 CB 1.795 Z: 18 37.158 2.342 0.779 0.925 1.000 0.941 CB 1.518 18 residues pruned to eliminate duplicates Z: 16 38.154 2.485 0.675 0.945 0.933 0.933 CB 1.755 16 residues pruned to eliminate duplicates Z: 19 36.013 2.257 0.835 0.902 1.000 0.889 CB 1.462 19 residues pruned to eliminate duplicates Z: 18 41.311 2.318 0.879 0.921 1.000 0.765 CB 1.619 18 residues pruned to eliminate duplicates Z: 18 45.835 2.325 1.028 0.894 1.000 0.882 CB 1.691 18 residues pruned to eliminate duplicates Z: 19 48.026 2.319 0.899 0.919 1.000 0.722 CA 1.812 18 residues pruned to eliminate duplicates Z: 18 32.020 2.243 0.317 0.897 1.000 0.941 CA 1.882 18 residues pruned to eliminate duplicates Z: 18 41.910 2.362 0.688 0.930 1.000 0.882 CA 1.783 18 residues pruned to eliminate duplicates Z: 19 49.070 2.254 1.139 0.914 0.944 0.722 CA 1.796 18 residues pruned to eliminate duplicates Z: 18 45.371 2.325 0.904 0.920 1.000 0.941 CA 1.750 18 residues pruned to eliminate duplicates Z: 12 22.473 2.101 0.473 0.858 0.909 0.818 C 1.774 Z: 19 50.763 2.288 0.972 0.924 1.000 0.889 CA 1.863 19 residues pruned to eliminate duplicates Z: 18 58.257 2.314 1.287 0.892 1.000 0.765 CA 1.919 19 residues pruned to eliminate duplicates Z: 26 57.114 2.376 1.062 0.922 0.920 0.920 CB 1.782 26 residues pruned to eliminate duplicates Z: 18 45.575 2.324 1.133 0.887 1.000 0.941 CB 1.608 18 residues pruned to eliminate duplicates Z: 6 3.832 1.966 -0.023 0.452 0.600 0.600 CA 1.561 Z: 16 47.772 2.474 0.791 0.934 1.000 1.000 CB 1.941 16 residues pruned to eliminate duplicates Z: 16 41.815 2.430 0.573 0.927 1.000 0.800 CB 1.980 16 residues pruned to eliminate duplicates Z: 18 39.528 2.377 0.733 0.910 1.000 0.941 CB 1.651 18 residues pruned to eliminate duplicates Z: 17 35.083 2.321 0.547 0.916 1.000 0.938 CB 1.725 16 residues pruned to eliminate duplicates Z: 19 47.797 2.233 0.925 0.927 1.000 0.778 CA 1.837 19 residues pruned to eliminate duplicates Z: 18 42.321 2.400 0.782 0.888 1.000 0.882 CB 1.729 18 residues pruned to eliminate duplicates Z: 25 79.951 2.564 1.385 0.937 0.958 0.833 CB 1.938 27 residues pruned to eliminate duplicates Z: 7 12.000 1.768 0.305 0.861 1.000 0.833 CA 1.560 7 residues pruned to eliminate duplicates Z: 27 70.930 2.448 1.284 0.938 0.962 0.615 CB 1.800 27 residues pruned to eliminate duplicates Z: 27 72.133 2.437 1.130 0.945 1.000 0.923 CB 1.886 26 residues pruned to eliminate duplicates Z: 7 14.594 1.900 0.492 0.838 1.000 0.833 CA 1.571 7 residues pruned to eliminate duplicates Z: 15 36.642 2.335 0.709 0.940 1.000 0.857 CB 1.703 15 residues pruned to eliminate duplicates Z: 18 43.388 2.328 0.716 0.928 1.000 0.941 CA 1.845 18 residues pruned to eliminate duplicates Z: 18 34.695 2.404 0.451 0.924 1.000 1.000 CB 1.695 18 residues pruned to eliminate duplicates Z: 16 32.329 2.371 0.476 0.915 1.000 1.000 CB 1.686 16 residues pruned to eliminate duplicates Z: 16 43.350 2.521 0.695 0.924 0.933 0.933 CB 1.970 17 residues pruned to eliminate duplicates Z: 19 53.390 2.278 1.131 0.919 1.000 0.833 C 1.827 18 residues pruned to eliminate duplicates Z: 17 43.779 2.405 0.740 0.890 1.000 0.812 CA 1.883 17 residues pruned to eliminate duplicates Z: 19 40.184 2.274 0.702 0.943 1.000 0.833 CB 1.697 19 residues pruned to eliminate duplicates Z: 18 46.964 2.392 0.840 0.944 1.000 0.941 CB 1.791 16 residues pruned to eliminate duplicates Z: 8 9.885 1.681 0.433 0.766 1.000 0.714 CA 1.225 Z: 11 24.578 2.245 0.372 0.900 1.000 0.800 CB 1.802 12 residues pruned to eliminate duplicates Z: 16 35.768 2.354 0.530 0.924 1.000 1.000 CB 1.800 16 residues pruned to eliminate duplicates Z: 28 78.544 2.422 1.359 0.920 1.000 0.889 CB 1.863 28 residues pruned to eliminate duplicates Z: 27 66.415 2.461 1.183 0.911 0.962 0.885 CB 1.787 27 residues pruned to eliminate duplicates Z: 27 62.559 2.434 1.095 0.948 0.962 0.846 CB 1.728 27 residues pruned to eliminate duplicates Z: 18 43.254 2.411 0.846 0.892 0.882 0.765 CB 1.919 18 residues pruned to eliminate duplicates Z: 17 35.383 2.297 0.504 0.870 1.000 0.688 CA 1.868 17 residues pruned to eliminate duplicates Z: 16 34.638 2.395 0.453 0.928 1.000 0.933 CB 1.800 17 residues pruned to eliminate duplicates Z: 18 45.605 2.399 0.720 0.946 1.000 1.000 CB 1.854 18 residues pruned to eliminate duplicates Z: 27 69.833 2.469 1.285 0.903 0.962 0.731 CB 1.800 27 residues pruned to eliminate duplicates Z: 16 54.815 2.352 1.279 0.933 1.000 0.933 CB 1.842 16 residues pruned to eliminate duplicates Z: 17 44.574 2.389 0.734 0.926 1.000 1.000 CA 1.886 17 residues pruned to eliminate duplicates Z: 18 37.799 2.357 0.528 0.915 1.000 0.941 CB 1.799 18 residues pruned to eliminate duplicates Z: 27 68.230 2.440 1.214 0.944 0.962 0.885 CB 1.785 27 residues pruned to eliminate duplicates Z: 16 33.872 2.397 0.498 0.871 0.933 0.800 CB 1.903 16 residues pruned to eliminate duplicates Z: 18 39.975 2.287 0.801 0.922 0.941 0.941 CB 1.758 18 residues pruned to eliminate duplicates Z: 27 64.847 2.485 1.128 0.911 0.923 0.846 CB 1.847 27 residues pruned to eliminate duplicates Z: 18 41.610 2.402 0.787 0.906 0.882 0.824 CB 1.895 18 residues pruned to eliminate duplicates Z: 16 32.154 2.186 0.546 0.911 1.000 0.867 CB 1.741 15 residues pruned to eliminate duplicates Z: 19 48.830 2.305 0.888 0.926 1.000 0.833 CA 1.854 19 residues pruned to eliminate duplicates Z: 17 64.524 2.375 1.411 0.929 1.000 0.812 C 1.971 19 residues pruned to eliminate duplicates Z: 17 42.831 2.463 0.805 0.878 0.938 0.875 CB 1.865 17 residues pruned to eliminate duplicates Z: 27 54.789 2.451 0.894 0.916 0.923 0.846 CB 1.772 27 residues pruned to eliminate duplicates Z: 18 31.434 2.352 0.378 0.884 1.000 0.941 CB 1.700 18 residues pruned to eliminate duplicates Z: 13 20.586 2.007 0.383 0.873 0.917 0.500 CA 1.701 13 residues pruned to eliminate duplicates Z: 27 80.016 2.437 1.395 0.928 1.000 0.846 CB 1.883 27 residues pruned to eliminate duplicates Z: 10 23.314 2.211 0.380 0.927 1.000 0.778 CA 1.784 Z: 12 22.224 2.068 0.485 0.890 0.909 0.909 C 1.726 12 residues pruned to eliminate duplicates Z: 18 39.707 2.365 0.749 0.886 1.000 0.882 CB 1.680 18 residues pruned to eliminate duplicates Z: 18 39.721 2.335 0.735 0.936 1.000 0.882 CB 1.656 18 residues pruned to eliminate duplicates Z: 12 19.613 2.072 0.470 0.847 0.909 0.636 C 1.585 12 residues pruned to eliminate duplicates Z: 18 47.556 2.405 0.727 0.915 1.000 0.941 CB 1.963 18 residues pruned to eliminate duplicates Z: 18 38.459 2.425 0.456 0.941 1.000 0.941 CA 1.834 18 residues pruned to eliminate duplicates Z: 12 24.052 2.070 0.460 0.880 1.000 0.727 C 1.739 12 residues pruned to eliminate duplicates Z: 27 58.722 2.469 0.791 0.934 0.962 0.923 CB 1.889 27 residues pruned to eliminate duplicates Z: 16 47.182 2.394 1.014 0.950 1.000 1.000 CB 1.742 16 residues pruned to eliminate duplicates Z: 16 33.214 2.395 0.388 0.933 1.000 0.933 CB 1.800 16 residues pruned to eliminate duplicates Z: 26 75.386 2.515 1.206 0.923 1.000 0.800 CB 1.910 26 residues pruned to eliminate duplicates Z: 16 36.306 2.403 0.621 0.897 1.000 0.933 CB 1.723 16 residues pruned to eliminate duplicates Z: 17 42.228 2.439 0.683 0.927 0.938 0.938 CB 1.924 17 residues pruned to eliminate duplicates Z: 18 38.625 2.349 0.527 0.916 1.000 0.941 CB 1.845 18 residues pruned to eliminate duplicates Z: 14 20.442 2.371 0.385 0.553 0.846 0.385 CA 1.937 10 residues pruned to eliminate duplicates Z: 27 55.891 2.462 0.782 0.917 1.000 0.808 CB 1.764 27 residues pruned to eliminate duplicates Z: 18 43.225 2.358 0.703 0.931 1.000 0.941 CB 1.825 18 residues pruned to eliminate duplicates Z: 18 37.663 2.344 0.530 0.918 0.941 0.824 C 1.909 18 residues pruned to eliminate duplicates Z: 27 64.257 2.482 1.073 0.916 0.962 0.808 CB 1.798 27 residues pruned to eliminate duplicates Z: 11 16.258 2.111 0.160 0.866 0.900 0.700 CA 1.707 11 residues pruned to eliminate duplicates Z: 11 21.357 2.229 0.261 0.866 1.000 0.700 C 1.759 11 residues pruned to eliminate duplicates Z: 26 68.963 2.568 1.069 0.920 0.960 0.840 CB 1.905 26 residues pruned to eliminate duplicates Z: 11 17.979 2.048 0.436 0.785 1.000 0.400 CA 1.504 11 residues pruned to eliminate duplicates Z: 18 43.105 2.453 0.609 0.891 1.000 0.824 CB 1.905 18 residues pruned to eliminate duplicates Z: 27 71.191 2.477 1.261 0.926 0.962 0.808 CB 1.817 27 residues pruned to eliminate duplicates Z: 10 20.300 2.224 0.199 0.933 1.000 0.667 C 1.771 10 residues pruned to eliminate duplicates Z: 17 36.622 2.451 0.488 0.934 1.000 1.000 CB 1.751 17 residues pruned to eliminate duplicates Z: 17 36.294 2.190 0.774 0.868 0.938 0.750 C 1.821 16 residues pruned to eliminate duplicates Z: 11 21.468 2.125 0.663 0.809 0.900 0.600 C 1.631 11 residues pruned to eliminate duplicates Z: 12 27.525 2.103 0.687 0.939 1.000 0.727 C 1.626 11 residues pruned to eliminate duplicates Z: 18 49.152 2.380 0.868 0.936 1.000 0.824 CB 1.867 18 residues pruned to eliminate duplicates Z: 18 45.318 2.383 0.671 0.930 1.000 0.882 CA 1.930 18 residues pruned to eliminate duplicates Z: 23 42.663 2.366 0.573 0.820 0.955 0.773 CA 1.940 25 residues pruned to eliminate duplicates Z: 11 23.521 2.234 0.506 0.924 1.000 0.900 C 1.553 10 residues pruned to eliminate duplicates Z: 18 38.608 2.287 0.807 0.911 1.000 0.941 CB 1.606 18 residues pruned to eliminate duplicates Z: 14 18.048 2.140 0.176 0.931 0.923 0.923 CB 1.507 Z: 26 89.379 2.539 1.403 0.946 1.000 0.800 CB 2.026 27 residues pruned to eliminate duplicates Z: 12 18.146 2.259 0.314 0.862 0.909 0.636 CB 1.489 Z: 16 36.874 2.169 0.760 0.939 1.000 0.800 CB 1.733 16 residues pruned to eliminate duplicates Z: 17 44.990 2.371 0.834 0.927 1.000 0.750 CB 1.813 18 residues pruned to eliminate duplicates Z: 27 79.377 2.460 1.302 0.929 1.000 0.808 CB 1.923 27 residues pruned to eliminate duplicates Z: 12 19.348 2.080 0.358 0.847 0.909 0.818 CA 1.686 12 residues pruned to eliminate duplicates Z: 15 49.173 2.451 1.066 0.886 0.929 0.857 CA 2.016 15 residues pruned to eliminate duplicates Z: 10 22.915 2.328 0.383 0.808 1.000 0.556 CA 1.815 14 residues pruned to eliminate duplicates Z: 16 35.345 2.384 0.529 0.944 1.000 0.933 CB 1.734 16 residues pruned to eliminate duplicates Z: 14 34.028 2.363 0.672 0.946 0.923 0.923 CB 1.790 14 residues pruned to eliminate duplicates Z: 11 23.077 2.242 0.438 0.882 1.000 0.800 C 1.638 11 residues pruned to eliminate duplicates Z: 17 30.817 2.235 0.515 0.911 0.938 0.812 CB 1.721 17 residues pruned to eliminate duplicates Z: 39 68.454 2.445 1.052 0.773 0.947 0.789 CB 1.834 37 residues pruned to eliminate duplicates Z: 27 69.779 2.415 1.331 0.916 0.962 0.846 CB 1.785 27 residues pruned to eliminate duplicates Z: 18 39.081 2.384 0.609 0.923 1.000 1.000 CB 1.736 18 residues pruned to eliminate duplicates Z: 11 19.867 2.207 0.262 0.877 0.900 0.900 CA 1.821 11 residues pruned to eliminate duplicates Z: 18 53.560 2.233 1.308 0.906 1.000 0.588 CB 1.793 18 residues pruned to eliminate duplicates Z: 11 15.402 2.174 0.333 0.733 0.800 0.400 C 1.704 11 residues pruned to eliminate duplicates Z: 16 52.245 2.444 1.064 0.953 1.000 0.667 CB 1.840 16 residues pruned to eliminate duplicates Z: 13 20.093 2.115 0.296 0.907 1.000 0.833 CB 1.505 12 residues pruned to eliminate duplicates Z: 15 40.477 2.225 0.858 0.926 1.000 0.857 C 1.835 15 residues pruned to eliminate duplicates Z: 26 86.752 2.561 1.309 0.942 1.000 0.880 CB 2.034 28 residues pruned to eliminate duplicates Z: 18 33.604 2.347 0.544 0.908 1.000 0.941 CB 1.597 18 residues pruned to eliminate duplicates Z: 16 35.032 2.379 0.541 0.914 1.000 0.800 CB 1.746 16 residues pruned to eliminate duplicates Z: 11 24.580 2.205 0.472 0.920 1.000 0.600 CB 1.686 11 residues pruned to eliminate duplicates Z: 19 35.097 2.291 0.504 0.870 1.000 0.833 CA 1.752 19 residues pruned to eliminate duplicates Z: 16 38.700 2.386 0.586 0.914 1.000 0.867 CB 1.868 16 residues pruned to eliminate duplicates Z: 18 45.760 2.407 0.834 0.875 0.941 0.882 CA 1.943 18 residues pruned to eliminate duplicates Z: 27 67.093 2.450 1.205 0.947 0.962 0.846 CB 1.751 27 residues pruned to eliminate duplicates Z: 6 7.590 2.030 -0.138 0.836 1.000 0.400 C 1.451 6 residues pruned to eliminate duplicates Z: 15 21.369 2.029 0.414 0.919 0.929 0.714 CB 1.510 15 residues pruned to eliminate duplicates Z: 18 40.262 2.356 0.527 0.952 1.000 0.941 CB 1.869 18 residues pruned to eliminate duplicates Z: 17 42.433 2.388 0.896 0.916 0.938 0.875 CB 1.765 17 residues pruned to eliminate duplicates Z: 8 8.721 1.933 0.051 0.759 0.857 0.714 CA 1.502 Z: 15 40.379 2.461 0.588 0.932 1.000 0.857 CB 1.929 15 residues pruned to eliminate duplicates Z: 7 12.696 2.028 0.230 0.778 1.000 0.667 CA 1.626 Z: 11 18.406 2.147 0.147 0.885 1.000 0.800 C 1.706 11 residues pruned to eliminate duplicates Z: 18 48.853 2.384 0.997 0.946 1.000 0.941 CB 1.720 18 residues pruned to eliminate duplicates Z: 129 107.826 2.410 0.854 0.722 0.953 0.672 CB 1.832 115 residues pruned to eliminate duplicates Z: 17 46.059 2.407 0.684 0.930 1.000 0.875 C 1.986 16 residues pruned to eliminate duplicates Z: 9 27.173 2.341 0.705 0.873 1.000 0.875 C 1.753 9 residues pruned to eliminate duplicates Z: 12 21.184 2.123 0.322 0.923 1.000 0.909 C 1.600 12 residues pruned to eliminate duplicates Z: 17 39.706 2.436 0.611 0.943 1.000 0.938 CB 1.754 17 residues pruned to eliminate duplicates Z: 16 54.811 2.445 1.176 0.946 1.000 1.000 CB 1.840 16 residues pruned to eliminate duplicates Z: 18 47.806 2.404 1.032 0.918 0.941 0.765 CB 1.779 18 residues pruned to eliminate duplicates Z: 13 18.827 2.001 0.595 0.846 1.000 0.750 CB 1.265 13 residues pruned to eliminate duplicates Z: 26 88.714 2.568 1.414 0.937 1.000 0.960 CB 1.991 26 residues pruned to eliminate duplicates Z: 16 18.994 2.040 0.197 0.873 0.933 0.733 CB 1.568 15 residues pruned to eliminate duplicates Z: 10 21.997 2.297 0.583 0.815 0.889 0.667 CA 1.725 10 residues pruned to eliminate duplicates Z: 17 38.125 2.403 0.528 0.912 1.000 0.938 CB 1.838 17 residues pruned to eliminate duplicates Z: 10 8.465 2.271 -0.127 0.721 0.667 0.333 CB 1.748 10 residues pruned to eliminate duplicates Z: 18 49.204 2.369 1.108 0.917 1.000 0.882 CB 1.686 18 residues pruned to eliminate duplicates Z: 11 19.789 2.123 0.503 0.801 0.900 0.500 C 1.675 11 residues pruned to eliminate duplicates Z: 141 106.329 2.395 0.763 0.726 0.950 0.736 CB 1.828 138 residues pruned to eliminate duplicates Z: 17 42.603 2.375 0.707 0.885 1.000 0.875 CA 1.898 17 residues pruned to eliminate duplicates Z: 27 77.245 2.466 1.361 0.927 0.962 0.769 CB 1.896 27 residues pruned to eliminate duplicates Z: 15 43.423 2.354 0.894 0.932 1.000 0.714 CB 1.818 15 residues pruned to eliminate duplicates Z: 18 52.297 2.419 1.000 0.890 1.000 0.824 CB 1.887 18 residues pruned to eliminate duplicates Z: 29 40.094 2.293 0.602 0.655 1.000 0.714 CB 1.786 16 residues pruned to eliminate duplicates Z: 14 13.781 2.096 0.667 0.356 0.846 0.462 CB 1.510 Z: 11 15.939 2.242 0.392 0.696 0.800 0.500 C 1.688 11 residues pruned to eliminate duplicates Z: 17 45.708 2.422 1.108 0.924 0.938 0.875 CB 1.677 17 residues pruned to eliminate duplicates Z: 27 70.035 2.455 1.269 0.937 0.962 0.846 CB 1.784 27 residues pruned to eliminate duplicates Z: 16 19.241 2.141 0.552 0.496 0.933 0.467 CA 1.609 11 residues pruned to eliminate duplicates Z: 12 19.384 2.096 0.608 0.871 0.909 0.727 CB 1.391 12 residues pruned to eliminate duplicates Z: 12 15.288 1.977 0.408 0.780 0.909 0.545 C 1.423 12 residues pruned to eliminate duplicates Z: 12 22.496 2.303 0.488 0.882 0.909 0.818 CB 1.575 12 residues pruned to eliminate duplicates Z: 16 40.741 2.235 1.017 0.880 0.933 0.733 CB 1.812 16 residues pruned to eliminate duplicates Z: 26 64.970 2.527 1.016 0.914 0.960 0.720 CB 1.879 26 residues pruned to eliminate duplicates Z: 27 61.318 2.462 1.003 0.909 0.923 0.769 CB 1.875 27 residues pruned to eliminate duplicates Z: 18 35.653 2.207 0.574 0.881 1.000 0.647 C 1.802 18 residues pruned to eliminate duplicates Z: 18 38.299 2.412 0.456 0.888 1.000 0.941 CA 1.906 18 residues pruned to eliminate duplicates Z: 18 44.564 2.345 0.712 0.891 1.000 0.882 C 1.935 18 residues pruned to eliminate duplicates Z: 13 24.620 2.098 0.644 0.889 1.000 0.833 CB 1.483 13 residues pruned to eliminate duplicates Z: 12 22.369 2.248 0.417 0.875 1.000 0.818 CB 1.539 12 residues pruned to eliminate duplicates Z: 16 45.304 2.233 0.986 0.943 1.000 0.800 CB 1.827 16 residues pruned to eliminate duplicates Z: 13 19.464 1.947 0.393 0.883 0.917 0.750 C 1.633 13 residues pruned to eliminate duplicates Z: 7 11.575 1.948 0.257 0.755 1.000 0.667 CA 1.536 7 residues pruned to eliminate duplicates Z: 17 45.417 2.386 0.706 0.944 1.000 0.938 CB 1.932 17 residues pruned to eliminate duplicates Z: 8 9.439 1.824 0.132 0.777 1.000 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 11 23.836 2.056 0.708 0.931 1.000 0.800 C 1.499 11 residues pruned to eliminate duplicates Z: 96 85.955 2.394 0.757 0.715 0.958 0.663 CB 1.802 89 residues pruned to eliminate duplicates Z: 18 41.157 2.386 0.506 0.942 1.000 0.941 CB 1.925 18 residues pruned to eliminate duplicates Z: 18 69.469 2.470 1.320 0.946 1.000 0.882 CB 2.033 18 residues pruned to eliminate duplicates Z: 11 21.266 2.173 0.777 0.718 0.900 0.500 CA 1.589 11 residues pruned to eliminate duplicates Z: 17 44.132 2.331 0.908 0.937 1.000 0.938 CB 1.726 17 residues pruned to eliminate duplicates Z: 40 67.161 2.426 1.012 0.801 0.923 0.795 CB 1.834 40 residues pruned to eliminate duplicates Z: 141 122.387 2.448 0.873 0.751 0.971 0.750 CB 1.856 141 residues pruned to eliminate duplicates Z: 15 20.925 2.109 0.289 0.881 1.000 0.857 CB 1.489 15 residues pruned to eliminate duplicates Z: 16 54.808 2.499 1.335 0.939 0.933 0.800 CB 1.807 16 residues pruned to eliminate duplicates Z: 17 46.864 2.435 0.863 0.919 1.000 0.625 CB 1.821 17 residues pruned to eliminate duplicates Z: 84 86.931 2.409 0.802 0.731 0.964 0.723 CB 1.853 79 residues pruned to eliminate duplicates Z: 95 94.840 2.419 0.823 0.744 0.979 0.777 CB 1.822 95 residues pruned to eliminate duplicates Z: 12 20.931 2.281 0.441 0.853 0.909 0.818 CB 1.561 12 residues pruned to eliminate duplicates Z: 15 23.042 2.040 0.475 0.891 1.000 0.714 CB 1.472 14 residues pruned to eliminate duplicates Z: 15 21.741 2.072 0.386 0.906 1.000 0.786 CB 1.439 16 residues pruned to eliminate duplicates Z: 11 26.055 2.319 0.508 0.741 1.000 0.400 CA 1.899 11 residues pruned to eliminate duplicates Z: 10 20.187 2.291 0.559 0.762 0.889 0.444 C 1.680 10 residues pruned to eliminate duplicates Z: 17 50.301 2.480 0.959 0.934 1.000 0.938 CB 1.805 17 residues pruned to eliminate duplicates Z: 6 8.804 2.087 0.180 0.822 0.800 0.800 CA 1.511 6 residues pruned to eliminate duplicates Z: 58 57.658 2.407 0.577 0.686 0.912 0.579 CB 1.859 58 residues pruned to eliminate duplicates Z: 11 24.160 2.412 0.367 0.849 1.000 0.700 CB 1.717 11 residues pruned to eliminate duplicates Z: 11 18.168 2.265 0.272 0.889 1.000 0.900 CB 1.435 11 residues pruned to eliminate duplicates Z: 12 26.085 2.282 0.628 0.893 1.000 0.909 CB 1.519 12 residues pruned to eliminate duplicates Z: 143 112.838 2.454 0.795 0.737 0.958 0.739 CB 1.814 139 residues pruned to eliminate duplicates Z: 15 25.407 2.071 0.557 0.903 1.000 0.714 CB 1.501 15 residues pruned to eliminate duplicates Z: 27 66.342 2.462 1.161 0.933 0.962 0.885 CB 1.774 27 residues pruned to eliminate duplicates Z: 78 77.750 2.383 0.769 0.700 0.948 0.688 CB 1.849 94 residues pruned to eliminate duplicates Z: 11 18.378 2.103 0.410 0.809 1.000 0.500 C 1.497 Z: 13 23.162 2.109 0.795 0.875 0.917 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 17 39.627 2.459 0.630 0.932 1.000 0.938 CB 1.726 17 residues pruned to eliminate duplicates Z: 12 18.426 1.974 0.422 0.829 0.909 0.727 CB 1.639 12 residues pruned to eliminate duplicates Z: 12 26.279 2.323 0.566 0.883 1.000 0.818 CB 1.575 12 residues pruned to eliminate duplicates Z: 36 28.037 2.099 0.466 0.589 0.943 0.571 CB 1.500 37 residues pruned to eliminate duplicates Z: 27 60.898 2.467 1.054 0.931 0.923 0.885 CB 1.784 27 residues pruned to eliminate duplicates Z: 6 7.927 2.044 0.438 0.827 0.800 0.800 CB 1.136 6 residues pruned to eliminate duplicates Z: 12 26.292 2.301 0.536 0.903 1.000 0.818 CB 1.599 12 residues pruned to eliminate duplicates Z: 13 26.110 2.141 0.655 0.874 1.000 0.917 CB 1.549 13 residues pruned to eliminate duplicates Z: 27 62.466 2.397 1.080 0.908 0.962 0.923 CB 1.814 27 residues pruned to eliminate duplicates Z: 13 15.804 2.013 0.300 0.791 0.917 0.667 CB 1.473 13 residues pruned to eliminate duplicates Z: 18 36.409 2.263 0.621 0.882 0.941 0.882 CB 1.850 18 residues pruned to eliminate duplicates Z: 12 25.804 2.296 0.526 0.908 1.000 0.818 CB 1.577 12 residues pruned to eliminate duplicates Z: 11 19.783 2.171 0.300 0.765 1.000 0.700 CA 1.751 11 residues pruned to eliminate duplicates Z: 15 24.640 2.060 0.499 0.895 1.000 0.714 CB 1.528 15 residues pruned to eliminate duplicates Z: 16 40.194 2.367 0.665 0.925 1.000 1.000 CB 1.848 16 residues pruned to eliminate duplicates Z: 35 41.267 2.327 0.637 0.606 0.941 0.647 CB 1.785 35 residues pruned to eliminate duplicates Z: 15 40.665 2.443 0.611 0.920 1.000 1.000 CB 1.944 15 residues pruned to eliminate duplicates Z: 17 43.996 2.370 0.747 0.910 1.000 0.938 CB 1.885 17 residues pruned to eliminate duplicates Z: 58 53.424 2.248 0.686 0.660 0.965 0.614 CB 1.669 55 residues pruned to eliminate duplicates Z: 60 51.150 2.343 0.515 0.624 0.949 0.627 CB 1.759 59 residues pruned to eliminate duplicates Z: 6 11.005 1.737 0.603 0.770 1.000 0.800 CA 1.392 6 residues pruned to eliminate duplicates Z: 14 20.237 2.118 0.345 0.918 0.923 0.692 CB 1.506 14 residues pruned to eliminate duplicates Z: 141 113.026 2.380 0.887 0.737 0.964 0.693 CB 1.783 141 residues pruned to eliminate duplicates Z: 11 15.031 1.927 0.427 0.791 0.900 0.700 C 1.488 11 residues pruned to eliminate duplicates Z: 12 20.173 2.297 0.249 0.879 1.000 0.818 CB 1.538 12 residues pruned to eliminate duplicates Z: 15 20.138 2.122 0.198 0.909 1.000 0.786 CB 1.503 15 residues pruned to eliminate duplicates Z: 37 29.041 2.083 0.510 0.596 0.944 0.556 CB 1.487 37 residues pruned to eliminate duplicates Z: 35 38.202 2.332 0.647 0.599 0.912 0.559 CB 1.703 35 residues pruned to eliminate duplicates Z: 17 42.477 2.265 0.846 0.909 1.000 0.938 CB 1.802 17 residues pruned to eliminate duplicates Z: 11 21.131 2.196 0.374 0.825 1.000 0.600 CB 1.671 11 residues pruned to eliminate duplicates Z: 8 15.195 1.797 0.460 0.889 1.000 1.000 N 1.577 8 residues pruned to eliminate duplicates Z: 9 19.815 2.140 0.349 0.907 1.000 0.875 CA 1.725 9 residues pruned to eliminate duplicates Z: 15 23.237 2.158 0.183 0.896 1.000 0.857 CB 1.743 15 residues pruned to eliminate duplicates Z: 16 34.320 2.394 0.436 0.923 1.000 1.000 CB 1.810 16 residues pruned to eliminate duplicates Z: 15 37.090 2.345 0.808 0.925 0.929 0.786 CB 1.767 15 residues pruned to eliminate duplicates Z: 27 68.607 2.456 1.248 0.943 0.923 0.769 CB 1.830 27 residues pruned to eliminate duplicates Z: 16 46.139 2.453 0.793 0.946 1.000 0.933 CA 1.873 16 residues pruned to eliminate duplicates Z: 30 37.594 2.305 0.682 0.613 0.931 0.724 CB 1.737 30 residues pruned to eliminate duplicates Z: 16 51.449 2.319 1.248 0.908 1.000 0.733 CA 1.810 16 residues pruned to eliminate duplicates Z: 14 17.570 2.049 0.234 0.934 0.923 0.615 CB 1.455 14 residues pruned to eliminate duplicates Z: 6 7.792 2.006 0.224 0.714 0.800 0.800 CB 1.462 6 residues pruned to eliminate duplicates Z: 13 21.461 2.092 0.394 0.897 1.000 0.833 CB 1.521 13 residues pruned to eliminate duplicates Z: 18 48.870 2.340 1.039 0.909 1.000 0.765 CB 1.764 18 residues pruned to eliminate duplicates Z: 16 37.440 2.414 0.572 0.941 1.000 1.000 CB 1.767 16 residues pruned to eliminate duplicates Z: 7 27.901 2.266 0.849 0.901 1.000 1.000 C 1.940 7 residues pruned to eliminate duplicates Z: 26 71.185 2.583 0.923 0.925 1.000 0.920 CB 2.011 26 residues pruned to eliminate duplicates Z: 18 41.667 2.204 1.079 0.911 0.941 0.765 CA 1.661 18 residues pruned to eliminate duplicates Z: 40 65.874 2.420 0.864 0.772 0.974 0.795 CB 1.886 40 residues pruned to eliminate duplicates Z: 27 63.176 2.491 0.887 0.945 0.962 0.962 CB 1.897 27 residues pruned to eliminate duplicates Z: 7 10.855 1.793 0.505 0.777 1.000 0.833 CB 1.286 7 residues pruned to eliminate duplicates Z: 18 31.609 2.300 0.562 0.885 1.000 0.706 CB 1.540 18 residues pruned to eliminate duplicates Z: 16 36.538 2.384 0.568 0.916 1.000 0.933 CB 1.782 16 residues pruned to eliminate duplicates Z: 17 52.301 2.402 0.958 0.933 1.000 0.875 C 1.940 17 residues pruned to eliminate duplicates Z: 143 115.699 2.441 0.881 0.745 0.944 0.704 CB 1.799 144 residues pruned to eliminate duplicates Z: 16 35.315 2.334 0.806 0.882 0.933 0.867 CB 1.676 16 residues pruned to eliminate duplicates Z: 14 20.227 2.130 0.341 0.920 0.923 0.769 CB 1.498 14 residues pruned to eliminate duplicates Z: 18 37.376 2.273 0.546 0.916 1.000 0.882 CA 1.822 18 residues pruned to eliminate duplicates Z: 11 19.124 2.229 0.383 0.875 1.000 0.700 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 21.471 2.178 0.476 0.830 1.000 0.700 CB 1.587 11 residues pruned to eliminate duplicates Z: 18 45.605 2.236 0.893 0.915 1.000 1.000 CA 1.846 18 residues pruned to eliminate duplicates Z: 17 47.080 2.390 0.840 0.915 1.000 1.000 CA 1.892 17 residues pruned to eliminate duplicates Z: 16 41.084 2.372 0.716 0.928 1.000 0.933 CB 1.824 16 residues pruned to eliminate duplicates Z: 8 13.155 1.852 1.014 0.855 0.857 0.571 C 1.148 8 residues pruned to eliminate duplicates Z: 8 9.190 1.847 0.137 0.797 1.000 0.571 CB 1.275 8 residues pruned to eliminate duplicates Z: 15 38.867 2.326 0.847 0.875 1.000 0.929 CB 1.759 15 residues pruned to eliminate duplicates Z: 16 38.999 2.326 0.854 0.896 1.000 0.933 CB 1.672 16 residues pruned to eliminate duplicates Z: 43 58.731 2.394 0.851 0.718 0.976 0.762 CB 1.719 43 residues pruned to eliminate duplicates Z: 12 24.675 2.238 0.596 0.870 0.909 0.727 CB 1.672 12 residues pruned to eliminate duplicates Z: 15 44.724 2.382 0.906 0.927 1.000 0.929 CB 1.845 15 residues pruned to eliminate duplicates Z: 11 23.549 2.128 0.627 0.932 1.000 0.900 C 1.502 11 residues pruned to eliminate duplicates Z: 140 116.009 2.421 0.885 0.736 0.950 0.698 CB 1.837 140 residues pruned to eliminate duplicates Z: 16 42.473 2.372 0.799 0.925 1.000 0.867 CB 1.804 16 residues pruned to eliminate duplicates Z: 28 30.196 2.176 0.465 0.677 1.000 0.593 CB 1.549 28 residues pruned to eliminate duplicates Z: 11 21.871 2.194 0.309 0.874 1.000 0.800 C 1.753 11 residues pruned to eliminate duplicates Z: 13 19.844 2.012 0.388 0.876 1.000 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 11 21.068 2.243 0.423 0.898 1.000 0.900 CB 1.493 11 residues pruned to eliminate duplicates Z: 62 59.773 2.321 0.667 0.654 0.967 0.656 CB 1.772 62 residues pruned to eliminate duplicates Z: 11 17.078 2.244 0.259 0.872 1.000 0.800 CB 1.393 11 residues pruned to eliminate duplicates Z: 12 18.763 2.165 0.357 0.883 1.000 0.727 CB 1.392 12 residues pruned to eliminate duplicates Z: 62 51.020 2.317 0.566 0.643 0.869 0.639 CB 1.813 62 residues pruned to eliminate duplicates Z: 56 53.159 2.350 0.589 0.653 0.945 0.655 CB 1.762 56 residues pruned to eliminate duplicates Z: 12 14.895 2.073 0.252 0.894 1.000 0.636 CB 1.241 12 residues pruned to eliminate duplicates Z: 12 17.671 2.142 0.281 0.886 1.000 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 65 87.346 2.505 0.987 0.759 0.938 0.766 CB 1.857 65 residues pruned to eliminate duplicates Z: 18 38.524 2.084 1.233 0.934 0.824 0.706 CB 1.700 18 residues pruned to eliminate duplicates Z: 113 89.407 2.376 0.752 0.700 0.964 0.750 CB 1.754 113 residues pruned to eliminate duplicates Z: 11 20.890 2.178 0.395 0.800 1.000 0.600 C 1.672 11 residues pruned to eliminate duplicates Z: 34 40.160 2.288 0.647 0.625 0.970 0.667 CB 1.701 34 residues pruned to eliminate duplicates Z: 64 62.766 2.388 0.781 0.593 0.937 0.556 CB 1.817 64 residues pruned to eliminate duplicates Z: 18 37.804 2.389 0.553 0.930 1.000 1.000 CB 1.728 18 residues pruned to eliminate duplicates Z: 19 53.748 2.380 1.125 0.930 0.944 0.778 CB 1.854 19 residues pruned to eliminate duplicates Z: 17 21.548 2.240 0.073 0.895 1.000 0.875 CB 1.606 17 residues pruned to eliminate duplicates Z: 43 42.192 2.395 0.530 0.581 0.929 0.524 CB 1.770 43 residues pruned to eliminate duplicates Z: 16 36.160 2.414 0.536 0.915 1.000 1.000 CB 1.780 16 residues pruned to eliminate duplicates Z: 56 46.105 2.232 0.489 0.656 0.927 0.655 CB 1.745 56 residues pruned to eliminate duplicates Z: 17 33.795 2.315 0.545 0.844 0.938 0.562 CB 1.875 17 residues pruned to eliminate duplicates Z: 43 34.705 2.212 0.421 0.593 0.976 0.571 CB 1.597 43 residues pruned to eliminate duplicates Z: 28 41.997 2.329 1.010 0.617 0.889 0.667 CB 1.740 28 residues pruned to eliminate duplicates Z: 26 57.128 2.464 0.799 0.924 1.000 0.960 CB 1.810 26 residues pruned to eliminate duplicates Z: 35 38.859 2.267 0.661 0.612 0.912 0.735 CB 1.745 35 residues pruned to eliminate duplicates Z: 12 17.490 2.024 0.404 0.850 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 128 109.981 2.447 0.846 0.730 0.961 0.787 CB 1.829 128 residues pruned to eliminate duplicates Z: 8 6.350 1.774 -0.027 0.765 0.857 0.714 CB 1.282 8 residues pruned to eliminate duplicates Z: 15 44.549 2.342 0.968 0.905 1.000 0.714 C 1.838 15 residues pruned to eliminate duplicates Z: 96 84.590 2.389 0.695 0.727 0.937 0.747 CB 1.864 96 residues pruned to eliminate duplicates Z: 12 17.166 2.055 0.082 0.898 1.000 0.818 C 1.665 12 residues pruned to eliminate duplicates Z: 92 93.238 2.438 0.810 0.729 0.989 0.725 CB 1.822 92 residues pruned to eliminate duplicates Z: 56 47.566 2.205 0.617 0.630 0.945 0.691 CB 1.682 56 residues pruned to eliminate duplicates Z: 18 35.667 2.322 0.623 0.852 0.941 0.588 CB 1.803 18 residues pruned to eliminate duplicates Z: 17 37.628 2.386 0.519 0.887 1.000 0.938 CA 1.872 17 residues pruned to eliminate duplicates Z: 16 44.268 2.422 0.797 0.933 1.000 1.000 CB 1.832 16 residues pruned to eliminate duplicates Z: 18 45.424 2.371 0.763 0.932 0.941 0.941 CA 1.955 18 residues pruned to eliminate duplicates Z: 6 9.343 2.086 0.101 0.767 1.000 0.600 CA 1.437 6 residues pruned to eliminate duplicates Z: 15 20.594 2.016 0.382 0.884 0.929 0.571 CB 1.537 15 residues pruned to eliminate duplicates Z: 184 125.207 2.444 0.830 0.711 0.951 0.721 CB 1.798 185 residues pruned to eliminate duplicates Z: 82 75.000 2.355 0.864 0.674 0.914 0.642 CB 1.769 82 residues pruned to eliminate duplicates Z: 83 79.860 2.414 0.885 0.646 0.939 0.720 CB 1.802 83 residues pruned to eliminate duplicates Z: 7 9.297 1.858 0.253 0.843 1.000 0.833 CB 1.214 7 residues pruned to eliminate duplicates Z: 155 112.648 2.446 0.752 0.727 0.948 0.773 CB 1.821 155 residues pruned to eliminate duplicates Z: 12 11.446 2.044 -0.028 0.638 0.909 0.727 CA 1.679 12 residues pruned to eliminate duplicates Z: 17 46.827 2.202 1.173 0.927 0.938 0.625 C 1.829 17 residues pruned to eliminate duplicates Z: 49 61.410 2.427 0.775 0.711 0.938 0.792 CB 1.812 49 residues pruned to eliminate duplicates Z: 13 14.344 1.998 0.255 0.703 0.917 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 16 37.038 2.176 0.871 0.870 1.000 0.800 C 1.715 16 residues pruned to eliminate duplicates Z: 11 19.433 2.218 0.348 0.901 1.000 0.700 CB 1.467 11 residues pruned to eliminate duplicates Z: 16 26.009 2.123 0.537 0.654 1.000 0.800 CB 1.784 16 residues pruned to eliminate duplicates Z: 91 96.215 2.428 0.903 0.723 0.967 0.756 CB 1.857 91 residues pruned to eliminate duplicates Z: 60 66.337 2.403 0.742 0.687 0.966 0.661 CB 1.798 60 residues pruned to eliminate duplicates Z: 18 44.783 2.344 0.897 0.871 1.000 0.882 CB 1.782 18 residues pruned to eliminate duplicates Z: 7 9.964 1.836 0.274 0.806 1.000 0.667 CA 1.332 7 residues pruned to eliminate duplicates Z: 19 52.020 2.339 1.017 0.922 1.000 0.667 CA 1.827 19 residues pruned to eliminate duplicates Z: 17 23.507 1.851 0.704 0.904 0.938 0.812 C 1.415 17 residues pruned to eliminate duplicates Z: 9 13.395 2.367 0.296 0.443 1.000 0.375 CA 1.638 9 residues pruned to eliminate duplicates Z: 18 41.019 2.291 0.725 0.931 1.000 0.941 CA 1.759 18 residues pruned to eliminate duplicates Z: 18 47.875 2.356 0.814 0.925 1.000 0.882 CB 1.906 18 residues pruned to eliminate duplicates Z: 169 119.587 2.400 0.827 0.710 0.970 0.673 CB 1.793 169 residues pruned to eliminate duplicates Z: 18 46.886 2.223 1.036 0.933 1.000 0.588 CB 1.753 18 residues pruned to eliminate duplicates Z: 38 46.231 2.331 0.709 0.597 0.946 0.459 CB 1.838 38 residues pruned to eliminate duplicates Z: 17 49.124 2.365 1.075 0.940 1.000 0.812 CB 1.738 17 residues pruned to eliminate duplicates Z: 11 18.377 2.175 0.166 0.862 1.000 0.800 CB 1.682 11 residues pruned to eliminate duplicates Z: 43 53.647 2.406 0.721 0.607 0.976 0.571 CB 1.850 43 residues pruned to eliminate duplicates Z: 30 25.031 2.099 0.485 0.653 0.897 0.655 CB 1.442 30 residues pruned to eliminate duplicates Z: 106 82.843 2.358 0.700 0.695 0.962 0.743 CB 1.755 106 residues pruned to eliminate duplicates Z: 16 34.302 2.347 0.628 0.918 1.000 0.933 CB 1.634 16 residues pruned to eliminate duplicates Z: 89 87.385 2.390 0.889 0.723 0.955 0.659 CB 1.768 89 residues pruned to eliminate duplicates Z: 12 24.548 2.077 0.417 0.931 1.000 1.000 C 1.758 12 residues pruned to eliminate duplicates Z: 21 37.076 2.382 0.584 0.798 0.900 0.800 CB 1.881 21 residues pruned to eliminate duplicates Z: 108 100.181 2.415 0.939 0.711 0.963 0.757 CB 1.774 108 residues pruned to eliminate duplicates Z: 11 8.796 1.760 0.048 0.806 0.900 0.800 CB 1.283 11 residues pruned to eliminate duplicates Z: 16 18.596 2.164 0.447 0.519 0.933 0.400 CB 1.612 16 residues pruned to eliminate duplicates Z: 26 51.531 2.349 1.002 0.867 0.960 0.760 CB 1.670 26 residues pruned to eliminate duplicates Z: 35 52.295 2.403 0.718 0.771 0.971 0.824 CB 1.761 35 residues pruned to eliminate duplicates Z: 10 31.040 2.310 1.068 0.860 1.000 0.667 CB 1.593 10 residues pruned to eliminate duplicates Z: 135 116.377 2.442 0.879 0.753 0.963 0.799 CB 1.817 135 residues pruned to eliminate duplicates Z: 74 81.673 2.417 0.810 0.718 0.986 0.726 CB 1.819 74 residues pruned to eliminate duplicates Z: 16 40.910 2.170 1.057 0.901 0.933 0.800 C 1.810 16 residues pruned to eliminate duplicates Z: 125 115.654 2.445 0.899 0.745 0.984 0.710 CB 1.826 125 residues pruned to eliminate duplicates Z: 17 39.712 2.309 0.603 0.882 1.000 0.750 C 1.941 17 residues pruned to eliminate duplicates Z: 76 81.936 2.375 0.874 0.716 0.960 0.747 CB 1.821 76 residues pruned to eliminate duplicates Z: 26 41.719 2.423 0.732 0.700 0.960 0.840 CB 1.725 26 residues pruned to eliminate duplicates Z: 8 7.234 1.646 0.224 0.823 1.000 0.714 CA 1.026 8 residues pruned to eliminate duplicates Z: 17 35.886 2.287 0.601 0.885 1.000 1.000 CB 1.770 17 residues pruned to eliminate duplicates Z: 70 84.306 2.439 0.905 0.746 0.986 0.739 CB 1.779 70 residues pruned to eliminate duplicates Z: 96 76.459 2.349 0.649 0.726 0.968 0.779 CB 1.706 96 residues pruned to eliminate duplicates Z: 100 88.383 2.412 0.814 0.694 0.949 0.747 CB 1.791 100 residues pruned to eliminate duplicates Z: 16 31.257 2.335 0.281 0.919 1.000 0.867 CA 1.901 16 residues pruned to eliminate duplicates Z: 91 90.515 2.415 0.818 0.739 0.978 0.733 CB 1.794 91 residues pruned to eliminate duplicates Z: 18 34.559 2.327 0.585 0.901 1.000 0.882 CB 1.621 18 residues pruned to eliminate duplicates Z: 9 9.766 1.854 0.212 0.897 0.875 0.500 CB 1.257 9 residues pruned to eliminate duplicates Z: 59 70.256 2.416 0.828 0.752 0.966 0.810 CB 1.728 59 residues pruned to eliminate duplicates Z: 21 31.399 2.104 1.117 0.687 0.800 0.500 CB 1.659 21 residues pruned to eliminate duplicates Z: 46 44.778 2.355 0.633 0.572 0.911 0.556 CB 1.778 46 residues pruned to eliminate duplicates Z: 17 17.013 2.104 0.607 0.465 0.938 0.500 CB 1.390 17 residues pruned to eliminate duplicates Z: 14 34.441 2.351 0.585 0.938 1.000 0.923 CB 1.784 14 residues pruned to eliminate duplicates Z: 30 52.082 2.290 0.971 0.747 0.897 0.621 C 1.916 30 residues pruned to eliminate duplicates Z: 40 61.897 2.396 0.819 0.783 0.974 0.795 CB 1.818 40 residues pruned to eliminate duplicates Z: 114 103.554 2.430 0.913 0.710 0.965 0.761 CB 1.795 114 residues pruned to eliminate duplicates Z: 58 68.794 2.410 0.854 0.760 0.947 0.807 CB 1.708 58 residues pruned to eliminate duplicates Z: 66 71.708 2.379 0.789 0.742 0.969 0.862 CB 1.736 66 residues pruned to eliminate duplicates Z: 33 42.127 2.284 0.602 0.639 1.000 0.656 CB 1.788 33 residues pruned to eliminate duplicates Z: 24 31.091 2.198 0.643 0.637 0.913 0.739 CB 1.730 24 residues pruned to eliminate duplicates Z: 67 58.475 2.276 0.635 0.655 0.970 0.712 CB 1.726 67 residues pruned to eliminate duplicates Z: 29 60.727 2.463 0.940 0.735 0.964 0.750 C 2.017 29 residues pruned to eliminate duplicates Z: 14 33.929 2.265 0.900 0.687 1.000 0.769 CB 1.842 14 residues pruned to eliminate duplicates Z: 17 50.295 2.454 1.018 0.944 1.000 0.938 CB 1.759 17 residues pruned to eliminate duplicates Z: 34 58.096 2.325 1.097 0.742 0.909 0.758 C 1.838 34 residues pruned to eliminate duplicates Z: 41 34.368 2.171 0.404 0.615 1.000 0.650 CB 1.599 41 residues pruned to eliminate duplicates Z: 125 99.217 2.398 0.829 0.692 0.952 0.669 CB 1.790 125 residues pruned to eliminate duplicates Z: 26 74.376 2.537 1.170 0.932 0.960 0.920 CB 1.966 26 residues pruned to eliminate duplicates Z: 35 47.299 2.378 0.694 0.724 0.941 0.853 CB 1.749 35 residues pruned to eliminate duplicates Z: 25 36.499 2.390 0.521 0.702 0.958 0.667 CB 1.780 25 residues pruned to eliminate duplicates Z: 56 61.200 2.352 0.593 0.729 1.000 0.764 CB 1.793 56 residues pruned to eliminate duplicates Z: 126 107.828 2.438 0.870 0.728 0.960 0.792 CB 1.794 128 residues pruned to eliminate duplicates Z: 14 41.877 2.489 1.271 0.689 0.923 0.846 CB 1.872 14 residues pruned to eliminate duplicates Z: 39 44.389 2.366 0.639 0.692 0.868 0.605 CB 1.794 39 residues pruned to eliminate duplicates Z: 84 72.540 2.295 0.875 0.653 0.928 0.614 CB 1.730 84 residues pruned to eliminate duplicates Z: 15 27.736 2.019 0.785 0.885 1.000 0.714 CB 1.485 15 residues pruned to eliminate duplicates Z: 18 27.347 2.267 0.849 0.529 0.882 0.529 CB 1.742 18 residues pruned to eliminate duplicates Z: 42 56.666 2.378 0.676 0.782 0.976 0.780 CB 1.775 42 residues pruned to eliminate duplicates Z: 9 7.113 1.823 0.247 0.521 1.000 0.500 CB 1.083 9 residues pruned to eliminate duplicates Z: 11 22.817 2.050 0.765 0.891 1.000 0.700 CB 1.434 11 residues pruned to eliminate duplicates Z: 34 54.803 2.395 0.800 0.725 0.970 0.758 CB 1.863 34 residues pruned to eliminate duplicates Z: 16 45.099 2.251 1.264 0.932 0.933 0.667 CA 1.711 16 residues pruned to eliminate duplicates Z: 106 96.009 2.379 0.862 0.726 0.952 0.714 CB 1.812 106 residues pruned to eliminate duplicates Z: 12 16.572 1.949 0.561 0.774 0.909 0.636 CB 1.419 12 residues pruned to eliminate duplicates Z: 8 3.179 1.226 0.653 0.331 1.000 0.571 CB 0.713 8 residues pruned to eliminate duplicates Z: 9 12.864 2.023 0.364 0.844 0.875 0.625 CA 1.402 9 residues pruned to eliminate duplicates Z: 8 8.324 1.676 0.112 0.850 1.000 0.857 CA 1.251 8 residues pruned to eliminate duplicates Z: 128 115.770 2.469 0.884 0.757 0.969 0.740 CB 1.815 128 residues pruned to eliminate duplicates Z: 13 15.781 2.028 0.048 0.921 1.000 1.000 CB 1.507 13 residues pruned to eliminate duplicates Z: 53 54.356 2.305 0.677 0.636 0.981 0.635 CB 1.750 53 residues pruned to eliminate duplicates Z: 111 91.020 2.418 0.772 0.719 0.945 0.755 CB 1.758 111 residues pruned to eliminate duplicates Z: 17 34.036 2.412 0.312 0.910 1.000 1.000 CB 1.907 17 residues pruned to eliminate duplicates Z: 12 40.061 2.236 1.096 0.933 1.000 0.727 CB 1.798 12 residues pruned to eliminate duplicates Z: 118 101.806 2.417 0.878 0.706 0.966 0.744 CB 1.780 118 residues pruned to eliminate duplicates Z: 11 22.194 2.348 0.829 0.763 0.800 0.500 CB 1.617 11 residues pruned to eliminate duplicates Z: 9 11.051 1.992 0.282 0.735 0.875 0.750 CA 1.415 9 residues pruned to eliminate duplicates Z: 109 87.317 2.386 0.673 0.730 0.972 0.778 CB 1.760 109 residues pruned to eliminate duplicates Z: 27 37.027 2.229 0.502 0.723 1.000 0.731 CB 1.774 27 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 44 31.458 2.175 0.372 0.571 0.953 0.558 CB 1.574 44 residues pruned to eliminate duplicates Z: 43 34.291 2.227 0.414 0.587 0.952 0.548 CB 1.623 43 residues pruned to eliminate duplicates Z: 58 44.566 2.253 0.428 0.633 0.930 0.684 CB 1.741 58 residues pruned to eliminate duplicates Z: 59 41.496 2.205 0.474 0.620 0.931 0.621 CB 1.607 59 residues pruned to eliminate duplicates Z: 110 70.765 2.295 0.566 0.673 0.927 0.716 CB 1.736 110 residues pruned to eliminate duplicates Z: 126 91.109 2.353 0.704 0.688 0.944 0.704 CB 1.812 126 residues pruned to eliminate duplicates Z: 41 31.347 2.206 0.365 0.590 1.000 0.625 CB 1.511 41 residues pruned to eliminate duplicates Z: 7 9.018 2.005 0.448 0.467 0.833 0.500 CA 1.573 7 residues pruned to eliminate duplicates Z: 43 33.865 2.218 0.463 0.586 0.929 0.595 CB 1.597 43 residues pruned to eliminate duplicates Z: 58 50.729 2.252 0.599 0.661 0.930 0.649 CB 1.729 58 residues pruned to eliminate duplicates Z: 58 52.162 2.263 0.645 0.661 0.947 0.649 CB 1.687 58 residues pruned to eliminate duplicates Z: 44 32.432 2.217 0.429 0.609 0.907 0.581 CB 1.552 44 residues pruned to eliminate duplicates Z: 44 32.890 2.193 0.445 0.600 0.884 0.605 CB 1.628 44 residues pruned to eliminate duplicates Z: 178 100.058 2.324 0.669 0.683 0.955 0.712 CB 1.716 178 residues pruned to eliminate duplicates Z: 42 36.441 2.232 0.458 0.605 0.976 0.585 CB 1.623 42 residues pruned to eliminate duplicates Z: 59 52.500 2.280 0.578 0.661 0.948 0.638 CB 1.741 59 residues pruned to eliminate duplicates Z: 43 36.228 2.215 0.493 0.617 0.952 0.500 CB 1.590 43 residues pruned to eliminate duplicates Z: 57 54.920 2.293 0.628 0.670 0.982 0.571 CB 1.711 57 residues pruned to eliminate duplicates Z: 58 49.937 2.276 0.574 0.657 0.930 0.614 CB 1.716 58 residues pruned to eliminate duplicates Z: 29 33.310 2.168 0.605 0.674 1.000 0.714 CB 1.542 29 residues pruned to eliminate duplicates Z: 42 34.496 2.149 0.570 0.601 0.951 0.537 CB 1.524 42 residues pruned to eliminate duplicates Z: 38 28.362 2.117 0.442 0.555 0.973 0.622 CB 1.489 38 residues pruned to eliminate duplicates Z: 107 82.842 2.348 0.673 0.683 0.981 0.745 CB 1.766 107 residues pruned to eliminate duplicates Z: 42 39.768 2.217 0.605 0.628 0.976 0.537 CB 1.586 42 residues pruned to eliminate duplicates Z: 57 58.270 2.293 0.766 0.659 0.946 0.607 CB 1.753 57 residues pruned to eliminate duplicates Z: 57 55.447 2.288 0.720 0.675 0.911 0.536 CB 1.759 57 residues pruned to eliminate duplicates Z: 57 58.841 2.305 0.722 0.689 0.964 0.643 CB 1.726 57 residues pruned to eliminate duplicates Z: 58 53.620 2.269 0.741 0.664 0.930 0.509 CB 1.661 58 residues pruned to eliminate duplicates Z: 58 47.642 2.265 0.488 0.648 0.947 0.684 CB 1.722 58 residues pruned to eliminate duplicates Z: 30 50.179 2.349 0.942 0.697 0.897 0.655 C 1.903 30 residues pruned to eliminate duplicates Z: 35 25.749 2.080 0.547 0.491 0.941 0.529 CB 1.471 35 residues pruned to eliminate duplicates Z: 41 36.800 2.249 0.461 0.631 0.950 0.525 CB 1.647 41 residues pruned to eliminate duplicates Z: 13 23.381 2.430 0.440 0.562 0.917 0.250 C 1.982 13 residues pruned to eliminate duplicates Z: 30 41.238 2.334 0.810 0.709 0.828 0.483 CB 1.812 30 residues pruned to eliminate duplicates Z: 58 55.355 2.277 0.611 0.687 0.965 0.596 CB 1.744 58 residues pruned to eliminate duplicates Z: 14 18.253 2.304 0.373 0.540 0.846 0.462 CB 1.819 14 residues pruned to eliminate duplicates Z: 20 14.621 2.003 0.383 0.469 0.789 0.421 CB 1.582 20 residues pruned to eliminate duplicates Z: 44 38.135 2.205 0.655 0.599 0.930 0.558 CB 1.559 44 residues pruned to eliminate duplicates Z: 17 15.457 2.095 0.444 0.441 0.938 0.312 CB 1.449 17 residues pruned to eliminate duplicates Z: 58 58.261 2.275 0.731 0.700 0.947 0.561 CB 1.724 58 residues pruned to eliminate duplicates Z: 59 56.802 2.279 0.713 0.661 0.948 0.534 CB 1.735 59 residues pruned to eliminate duplicates Z: 31 48.211 2.298 0.873 0.692 0.933 0.500 CB 1.838 31 residues pruned to eliminate duplicates Z: 17 55.179 2.382 1.274 0.907 0.938 0.750 CA 1.930 17 residues pruned to eliminate duplicates Z: 28 51.474 2.389 0.844 0.715 0.963 0.593 CB 1.922 28 residues pruned to eliminate duplicates Z: 29 48.331 2.418 0.781 0.706 0.929 0.571 CB 1.894 29 residues pruned to eliminate duplicates Z: 30 55.267 2.352 1.011 0.702 1.000 0.586 CB 1.805 30 residues pruned to eliminate duplicates Z: 58 55.924 2.274 0.741 0.665 0.947 0.561 CB 1.694 58 residues pruned to eliminate duplicates Z: 58 60.468 2.295 0.820 0.666 0.965 0.614 CB 1.704 58 residues pruned to eliminate duplicates Z: 60 58.711 2.293 0.718 0.686 0.966 0.678 CB 1.693 60 residues pruned to eliminate duplicates Z: 59 56.670 2.250 0.767 0.662 0.983 0.672 CB 1.639 59 residues pruned to eliminate duplicates Z: 57 61.759 2.313 0.807 0.697 0.964 0.625 CB 1.712 57 residues pruned to eliminate duplicates Z: 19 57.612 2.328 1.159 0.936 1.000 0.833 CA 1.882 19 residues pruned to eliminate duplicates Z: 59 53.049 2.263 0.655 0.646 0.948 0.586 CB 1.713 59 residues pruned to eliminate duplicates Z: 58 60.473 2.282 0.802 0.672 0.965 0.667 CB 1.721 58 residues pruned to eliminate duplicates Z: 143 115.831 2.446 0.767 0.747 0.972 0.768 CB 1.856 143 residues pruned to eliminate duplicates Z: 59 51.563 2.233 0.627 0.675 0.966 0.621 CB 1.643 59 residues pruned to eliminate duplicates Z: 148 113.478 2.429 0.767 0.745 0.959 0.728 CB 1.826 148 residues pruned to eliminate duplicates Z: 145 109.722 2.410 0.696 0.757 0.979 0.771 CB 1.819 145 residues pruned to eliminate duplicates Z: 184 112.532 2.372 0.714 0.701 0.951 0.721 CB 1.792 184 residues pruned to eliminate duplicates Z: 71 76.496 2.403 0.715 0.745 0.971 0.700 CB 1.834 71 residues pruned to eliminate duplicates Z: 143 112.059 2.411 0.804 0.746 0.958 0.746 CB 1.812 143 residues pruned to eliminate duplicates Z: 58 63.081 2.356 0.823 0.680 0.930 0.702 CB 1.773 58 residues pruned to eliminate duplicates Z: 26 34.285 2.259 0.856 0.611 0.880 0.600 CB 1.672 26 residues pruned to eliminate duplicates Z: 79 65.398 2.266 0.855 0.655 0.910 0.654 CB 1.676 79 residues pruned to eliminate duplicates Z: 82 80.000 2.390 0.808 0.701 0.938 0.679 CB 1.826 82 residues pruned to eliminate duplicates Z: 183 122.260 2.405 0.750 0.723 0.973 0.720 CB 1.810 183 residues pruned to eliminate duplicates Z: 107 83.099 2.301 0.829 0.682 0.934 0.698 CB 1.738 107 residues pruned to eliminate duplicates Z: 18 39.367 2.353 0.926 0.912 0.941 0.824 CB 1.585 18 residues pruned to eliminate duplicates Z: 53 64.271 2.355 0.853 0.703 0.942 0.731 CB 1.801 53 residues pruned to eliminate duplicates Z: 145 114.255 2.406 0.806 0.731 0.965 0.722 CB 1.844 145 residues pruned to eliminate duplicates Z: 144 116.007 2.427 0.800 0.741 0.979 0.727 CB 1.828 144 residues pruned to eliminate duplicates Z: 67 84.297 2.393 0.880 0.759 1.000 0.788 CB 1.832 67 residues pruned to eliminate duplicates Z: 109 99.099 2.396 0.850 0.711 0.963 0.731 CB 1.845 109 residues pruned to eliminate duplicates Z: 56 76.266 2.411 0.888 0.768 0.982 0.782 CB 1.815 56 residues pruned to eliminate duplicates Z: 128 109.336 2.431 0.825 0.720 0.969 0.772 CB 1.851 128 residues pruned to eliminate duplicates Z: 43 62.661 2.369 0.972 0.693 0.929 0.667 CB 1.868 43 residues pruned to eliminate duplicates Z: 58 68.537 2.350 0.926 0.660 0.947 0.614 CB 1.825 58 residues pruned to eliminate duplicates Z: 71 82.562 2.420 0.854 0.739 0.957 0.700 CB 1.853 71 residues pruned to eliminate duplicates Z: 142 116.745 2.404 0.861 0.746 0.965 0.738 CB 1.830 142 residues pruned to eliminate duplicates Z: 97 91.864 2.417 0.784 0.720 0.958 0.729 CB 1.860 97 residues pruned to eliminate duplicates Z: 128 106.711 2.433 0.786 0.728 0.961 0.772 CB 1.848 128 residues pruned to eliminate duplicates Z: 70 83.885 2.416 0.929 0.737 0.957 0.739 CB 1.831 70 residues pruned to eliminate duplicates Z: 130 108.260 2.417 0.817 0.731 0.969 0.760 CB 1.820 130 residues pruned to eliminate duplicates Z: 58 64.516 2.377 0.796 0.668 0.965 0.702 CB 1.776 58 residues pruned to eliminate duplicates Z: 128 105.455 2.430 0.774 0.731 0.969 0.772 CB 1.820 128 residues pruned to eliminate duplicates Z: 105 96.708 2.413 0.847 0.714 0.962 0.644 CB 1.823 105 residues pruned to eliminate duplicates Z: 58 64.322 2.315 0.827 0.692 0.947 0.649 CB 1.784 58 residues pruned to eliminate duplicates Z: 141 112.623 2.416 0.870 0.748 0.936 0.764 CB 1.805 141 residues pruned to eliminate duplicates Z: 106 90.305 2.416 0.659 0.733 0.981 0.733 CB 1.818 106 residues pruned to eliminate duplicates Z: 78 78.810 2.359 0.799 0.707 0.948 0.688 CB 1.849 78 residues pruned to eliminate duplicates Z: 108 88.171 2.341 0.739 0.701 0.981 0.701 CB 1.777 108 residues pruned to eliminate duplicates Z: 16 40.827 2.443 0.560 0.911 1.000 0.867 CB 1.960 16 residues pruned to eliminate duplicates Z: 93 86.621 2.429 0.712 0.735 0.957 0.761 CB 1.839 93 residues pruned to eliminate duplicates Z: 17 30.901 2.289 0.512 0.726 1.000 0.875 CB 1.820 17 residues pruned to eliminate duplicates Z: 59 62.067 2.355 0.860 0.640 0.931 0.655 CB 1.753 59 residues pruned to eliminate duplicates Z: 142 112.135 2.431 0.756 0.751 0.965 0.745 CB 1.833 142 residues pruned to eliminate duplicates Z: 50 73.628 2.426 0.932 0.718 0.980 0.796 CB 1.881 50 residues pruned to eliminate duplicates Z: 96 90.741 2.401 0.765 0.732 0.979 0.716 CB 1.821 96 residues pruned to eliminate duplicates Z: 95 86.157 2.409 0.715 0.725 0.968 0.766 CB 1.813 95 residues pruned to eliminate duplicates Z: 53 65.164 2.376 0.808 0.705 0.942 0.750 CB 1.852 53 residues pruned to eliminate duplicates Z: 78 84.041 2.464 0.777 0.741 0.961 0.727 CB 1.834 78 residues pruned to eliminate duplicates Z: 95 87.001 2.411 0.670 0.729 0.979 0.766 CB 1.852 95 residues pruned to eliminate duplicates Z: 14 19.264 2.060 0.899 0.612 0.769 0.615 CB 1.596 14 residues pruned to eliminate duplicates Z: 57 65.658 2.363 0.914 0.665 0.929 0.625 CB 1.793 57 residues pruned to eliminate duplicates Z: 183 122.226 2.392 0.781 0.714 0.973 0.714 CB 1.802 183 residues pruned to eliminate duplicates Z: 127 110.306 2.446 0.809 0.732 0.976 0.746 CB 1.846 127 residues pruned to eliminate duplicates Z: 115 87.021 2.329 0.818 0.655 0.947 0.605 CB 1.759 115 residues pruned to eliminate duplicates Z: 94 90.186 2.426 0.723 0.739 0.989 0.774 CB 1.826 94 residues pruned to eliminate duplicates Z: 87 91.677 2.445 0.777 0.747 0.977 0.733 CB 1.869 87 residues pruned to eliminate duplicates Z: 96 78.947 2.365 0.664 0.706 0.947 0.747 CB 1.802 96 residues pruned to eliminate duplicates Z: 42 53.065 2.355 0.717 0.733 0.902 0.683 CB 1.843 42 residues pruned to eliminate duplicates Z: 98 82.597 2.347 0.691 0.724 0.948 0.763 CB 1.820 78 residues pruned to eliminate duplicates Z: 20 40.717 2.311 0.693 0.838 1.000 0.895 CB 1.784 20 residues pruned to eliminate duplicates Z: 94 86.271 2.425 0.645 0.738 0.989 0.710 CB 1.831 94 residues pruned to eliminate duplicates Z: 97 82.485 2.372 0.720 0.710 0.938 0.719 CB 1.819 97 residues pruned to eliminate duplicates Z: 94 87.863 2.419 0.708 0.728 0.978 0.753 CB 1.835 94 residues pruned to eliminate duplicates Z: 88 81.765 2.373 0.836 0.721 0.954 0.690 CB 1.728 88 residues pruned to eliminate duplicates Z: 89 81.163 2.414 0.628 0.738 0.977 0.739 CB 1.820 89 residues pruned to eliminate duplicates Z: 89 82.232 2.403 0.704 0.729 0.943 0.727 CB 1.847 89 residues pruned to eliminate duplicates Z: 180 110.131 2.362 0.769 0.692 0.944 0.676 CB 1.750 180 residues pruned to eliminate duplicates Z: 144 113.919 2.424 0.794 0.747 0.951 0.748 CB 1.847 144 residues pruned to eliminate duplicates Z: 94 87.877 2.425 0.695 0.736 0.978 0.763 CB 1.833 94 residues pruned to eliminate duplicates Z: 89 86.833 2.395 0.767 0.727 0.966 0.716 CB 1.846 89 residues pruned to eliminate duplicates Z: 92 81.235 2.389 0.719 0.723 0.945 0.714 CB 1.794 92 residues pruned to eliminate duplicates Z: 143 114.454 2.412 0.837 0.732 0.958 0.697 CB 1.837 143 residues pruned to eliminate duplicates Z: 77 79.648 2.369 0.779 0.742 0.961 0.711 CB 1.817 77 residues pruned to eliminate duplicates Z: 142 115.607 2.443 0.752 0.746 0.979 0.716 CB 1.865 142 residues pruned to eliminate duplicates Z: 91 84.023 2.387 0.754 0.715 0.944 0.689 CB 1.843 91 residues pruned to eliminate duplicates Z: 55 55.640 2.324 0.669 0.662 0.981 0.685 CB 1.711 55 residues pruned to eliminate duplicates Z: 87 80.030 2.410 0.661 0.721 0.953 0.733 CB 1.851 87 residues pruned to eliminate duplicates Z: 95 89.346 2.414 0.730 0.728 0.979 0.734 CB 1.836 95 residues pruned to eliminate duplicates Z: 125 101.637 2.417 0.795 0.710 0.960 0.718 CB 1.813 125 residues pruned to eliminate duplicates Z: 94 90.342 2.431 0.754 0.730 0.978 0.753 CB 1.826 94 residues pruned to eliminate duplicates Z: 95 86.848 2.414 0.676 0.737 0.968 0.777 CB 1.849 95 residues pruned to eliminate duplicates Z: 91 83.501 2.389 0.758 0.697 0.956 0.700 CB 1.832 91 residues pruned to eliminate duplicates Z: 89 84.756 2.414 0.716 0.731 0.966 0.716 CB 1.834 89 residues pruned to eliminate duplicates Z: 143 111.492 2.409 0.839 0.730 0.951 0.718 CB 1.807 143 residues pruned to eliminate duplicates Z: 72 81.579 2.452 0.725 0.764 0.972 0.789 CB 1.863 72 residues pruned to eliminate duplicates Z: 97 83.473 2.397 0.699 0.718 0.948 0.708 CB 1.811 97 residues pruned to eliminate duplicates Z: 87 84.848 2.437 0.697 0.752 0.965 0.779 CB 1.831 87 residues pruned to eliminate duplicates Z: 145 113.290 2.443 0.775 0.734 0.958 0.667 CB 1.841 145 residues pruned to eliminate duplicates Z: 91 85.859 2.395 0.820 0.700 0.944 0.711 CB 1.832 91 residues pruned to eliminate duplicates Z: 95 89.317 2.424 0.700 0.739 0.979 0.723 CB 1.843 19 residues pruned to eliminate duplicates Z: 12 20.651 2.157 0.509 0.869 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 87 92.810 2.454 0.787 0.745 0.988 0.767 CB 1.855 88 residues pruned to eliminate duplicates Z: 14 20.655 2.250 0.534 0.686 0.923 0.846 CB 1.516 14 residues pruned to eliminate duplicates Z: 91 88.001 2.382 0.816 0.725 0.978 0.722 CB 1.790 90 residues pruned to eliminate duplicates Z: 28 62.613 2.391 1.007 0.866 1.000 0.926 CB 1.838 28 residues pruned to eliminate duplicates Z: 95 90.061 2.414 0.766 0.738 0.968 0.723 CB 1.818 95 residues pruned to eliminate duplicates Z: 92 78.398 2.386 0.750 0.718 0.912 0.725 CB 1.772 92 residues pruned to eliminate duplicates Z: 89 81.654 2.416 0.702 0.724 0.943 0.716 CB 1.833 89 residues pruned to eliminate duplicates Z: 89 88.575 2.423 0.817 0.730 0.955 0.693 CB 1.827 89 residues pruned to eliminate duplicates Z: 27 66.655 2.459 1.232 0.905 0.962 0.692 CB 1.764 27 residues pruned to eliminate duplicates Z: 87 93.513 2.442 0.856 0.752 0.965 0.721 CB 1.841 87 residues pruned to eliminate duplicates Z: 95 96.298 2.416 0.849 0.726 0.989 0.723 CB 1.833 95 residues pruned to eliminate duplicates Z: 38 75.455 2.465 1.013 0.806 1.000 0.811 CB 1.914 38 residues pruned to eliminate duplicates Z: 40 63.830 2.394 1.000 0.774 0.923 0.744 CB 1.815 40 residues pruned to eliminate duplicates Z: 126 99.153 2.357 0.864 0.687 0.960 0.640 CB 1.771 126 residues pruned to eliminate duplicates Z: 143 116.611 2.407 0.879 0.744 0.951 0.683 CB 1.831 143 residues pruned to eliminate duplicates Z: 153 118.424 2.406 0.891 0.709 0.947 0.605 CB 1.843 153 residues pruned to eliminate duplicates Z: 98 91.842 2.357 0.872 0.716 0.959 0.660 CB 1.812 98 residues pruned to eliminate duplicates Z: 95 95.453 2.409 0.818 0.738 0.989 0.777 CB 1.835 95 residues pruned to eliminate duplicates Z: 129 114.578 2.419 0.916 0.731 0.969 0.719 CB 1.832 130 residues pruned to eliminate duplicates Z: 27 69.696 2.454 1.320 0.909 0.923 0.692 CB 1.846 27 residues pruned to eliminate duplicates Z: 88 91.859 2.423 0.896 0.717 0.954 0.644 CB 1.846 88 residues pruned to eliminate duplicates Z: 40 69.013 2.388 1.059 0.768 0.974 0.744 CB 1.819 40 residues pruned to eliminate duplicates Z: 96 95.150 2.405 0.886 0.720 0.979 0.716 CB 1.802 96 residues pruned to eliminate duplicates Z: 76 92.375 2.438 0.979 0.743 0.960 0.720 CB 1.853 75 residues pruned to eliminate duplicates Z: 26 76.093 2.571 1.265 0.937 0.960 0.880 CB 1.895 26 residues pruned to eliminate duplicates Z: 94 96.037 2.423 0.847 0.734 0.978 0.667 CB 1.842 94 residues pruned to eliminate duplicates Z: 127 112.805 2.441 0.864 0.730 0.968 0.738 CB 1.854 127 residues pruned to eliminate duplicates Z: 89 90.024 2.406 0.857 0.732 0.955 0.670 CB 1.826 89 residues pruned to eliminate duplicates Z: 94 95.696 2.424 0.848 0.734 0.978 0.720 CB 1.834 94 residues pruned to eliminate duplicates Z: 126 103.132 2.410 0.871 0.700 0.960 0.720 CB 1.775 126 residues pruned to eliminate duplicates Z: 13 13.114 2.137 0.082 0.647 0.833 0.750 CB 1.714 Z: 7 8.404 2.187 -0.080 0.693 0.833 0.500 CA 1.715 7 residues pruned to eliminate duplicates Z: 12 21.272 2.251 0.460 0.640 1.000 0.727 CB 1.712 26 residues pruned to eliminate duplicates Z: 8 13.544 1.811 0.283 0.883 1.000 0.857 CA 1.592 6 residues pruned to eliminate duplicates Z: 8 12.923 1.925 0.244 0.827 1.000 0.571 CA 1.537 Z: 6 8.356 2.128 0.028 0.800 0.800 0.400 C 1.643 6 residues pruned to eliminate duplicates Z: 94 98.236 2.428 0.890 0.735 0.978 0.742 CB 1.837 94 residues pruned to eliminate duplicates Z: 13 19.584 2.095 0.306 0.766 0.917 0.750 CB 1.781 Z: 6 14.791 2.035 1.102 0.458 1.000 0.200 CA 1.613 6 residues pruned to eliminate duplicates Z: 6 3.114 1.503 0.531 0.465 0.600 0.600 C 1.044 6 residues pruned to eliminate duplicates Z: 31 40.833 2.301 0.816 0.640 0.933 0.700 CB 1.677 31 residues pruned to eliminate duplicates Z: 50 46.178 2.314 0.657 0.603 0.898 0.551 CB 1.738 50 residues pruned to eliminate duplicates Z: 7 7.969 1.733 0.415 0.636 1.000 0.333 CB 1.167 7 residues pruned to eliminate duplicates Z: 59 60.754 2.432 0.651 0.655 0.931 0.690 CB 1.847 59 residues pruned to eliminate duplicates Z: 7 7.579 2.078 0.250 0.499 1.000 1.000 CA 1.193 7 residues pruned to eliminate duplicates Z: 29 47.286 2.356 0.774 0.679 1.000 0.679 CB 1.813 29 residues pruned to eliminate duplicates Z: 29 44.287 2.366 0.717 0.650 1.000 0.571 CB 1.793 29 residues pruned to eliminate duplicates Z: 30 38.467 2.321 0.675 0.589 0.966 0.724 CB 1.748 30 residues pruned to eliminate duplicates Z: 58 54.292 2.387 0.539 0.647 0.930 0.667 CB 1.836 58 residues pruned to eliminate duplicates Z: 41 51.830 2.406 0.637 0.647 0.975 0.625 CB 1.860 41 residues pruned to eliminate duplicates Z: 58 60.159 2.420 0.681 0.632 0.930 0.579 CB 1.861 58 residues pruned to eliminate duplicates Z: 29 42.743 2.304 0.817 0.650 0.929 0.679 CB 1.807 29 residues pruned to eliminate duplicates Z: 29 45.425 2.325 0.850 0.655 0.964 0.679 CB 1.793 29 residues pruned to eliminate duplicates Z: 14 43.956 2.363 0.943 0.947 1.000 1.000 CB 1.835 14 residues pruned to eliminate duplicates Z: 62 59.454 2.398 0.702 0.635 0.902 0.607 CB 1.822 62 residues pruned to eliminate duplicates Z: 141 96.089 2.370 0.761 0.659 0.943 0.636 CB 1.780 141 residues pruned to eliminate duplicates Z: 40 51.327 2.430 0.772 0.621 0.923 0.615 CB 1.845 40 residues pruned to eliminate duplicates Z: 13 33.352 2.422 0.624 0.932 0.917 0.833 CB 1.865 13 residues pruned to eliminate duplicates Z: 44 40.960 2.314 0.655 0.563 0.860 0.605 CB 1.783 44 residues pruned to eliminate duplicates Z: 44 46.315 2.354 0.667 0.601 0.907 0.512 CB 1.803 44 residues pruned to eliminate duplicates Z: 41 51.188 2.439 0.705 0.619 0.925 0.500 CB 1.881 41 residues pruned to eliminate duplicates Z: 58 64.357 2.424 0.799 0.659 0.912 0.544 CB 1.849 58 residues pruned to eliminate duplicates Z: 42 48.829 2.433 0.653 0.578 0.927 0.512 CB 1.898 42 residues pruned to eliminate duplicates Z: 182 121.909 2.441 0.790 0.693 0.956 0.724 CB 1.819 182 residues pruned to eliminate duplicates Z: 43 43.571 2.406 0.516 0.590 0.929 0.595 CB 1.821 43 residues pruned to eliminate duplicates Z: 44 46.474 2.345 0.620 0.586 0.930 0.512 CB 1.846 44 residues pruned to eliminate duplicates Z: 41 47.062 2.426 0.636 0.611 0.900 0.525 CB 1.876 41 residues pruned to eliminate duplicates Z: 58 67.391 2.372 0.949 0.637 0.912 0.509 CB 1.861 58 residues pruned to eliminate duplicates Z: 44 46.325 2.390 0.689 0.593 0.884 0.558 CB 1.811 44 residues pruned to eliminate duplicates Z: 58 68.155 2.442 0.790 0.680 0.930 0.614 CB 1.883 58 residues pruned to eliminate duplicates Z: 57 60.146 2.346 0.719 0.641 0.946 0.679 CB 1.846 57 residues pruned to eliminate duplicates Z: 44 50.316 2.353 0.699 0.605 0.953 0.581 CB 1.821 44 residues pruned to eliminate duplicates Z: 56 59.686 2.388 0.700 0.606 0.964 0.564 CB 1.860 56 residues pruned to eliminate duplicates Z: 59 64.556 2.413 0.722 0.646 0.966 0.672 CB 1.845 59 residues pruned to eliminate duplicates Z: 108 90.134 2.411 0.723 0.692 0.972 0.710 CB 1.811 108 residues pruned to eliminate duplicates Z: 19 42.457 2.408 0.785 0.790 0.944 0.944 CB 1.910 19 residues pruned to eliminate duplicates Z: 17 43.228 2.456 0.724 0.875 1.000 0.938 CA 1.856 17 residues pruned to eliminate duplicates Z: 18 34.783 2.394 0.649 0.826 0.941 0.882 CB 1.713 18 residues pruned to eliminate duplicates Z: 17 45.428 2.451 0.772 0.880 1.000 0.812 CB 1.895 17 residues pruned to eliminate duplicates Z: 31 52.658 2.460 0.732 0.701 1.000 0.767 CB 1.878 31 residues pruned to eliminate duplicates Z: 17 49.060 2.436 0.926 0.879 1.000 0.750 CB 1.897 17 residues pruned to eliminate duplicates Z: 19 36.936 2.355 0.648 0.768 1.000 0.778 CA 1.769 19 residues pruned to eliminate duplicates Z: 60 61.179 2.383 0.700 0.658 0.949 0.644 CB 1.788 60 residues pruned to eliminate duplicates Z: 17 36.933 2.463 0.522 0.864 1.000 0.875 CB 1.805 17 residues pruned to eliminate duplicates Z: 22 33.548 2.299 0.626 0.756 0.952 0.810 CB 1.637 22 residues pruned to eliminate duplicates Z: 143 113.210 2.460 0.785 0.749 0.958 0.775 CB 1.809 143 residues pruned to eliminate duplicates Z: 18 33.862 2.441 0.434 0.825 1.000 0.941 CB 1.771 18 residues pruned to eliminate duplicates Z: 106 93.132 2.444 0.720 0.742 0.981 0.743 CB 1.775 106 residues pruned to eliminate duplicates Z: 106 87.887 2.432 0.679 0.734 0.952 0.705 CB 1.787 106 residues pruned to eliminate duplicates Z: 130 102.269 2.434 0.710 0.717 0.977 0.775 CB 1.821 130 residues pruned to eliminate duplicates Z: 130 98.334 2.431 0.705 0.721 0.953 0.705 CB 1.794 130 residues pruned to eliminate duplicates Z: 107 90.601 2.427 0.737 0.724 0.953 0.774 CB 1.789 107 residues pruned to eliminate duplicates Z: 113 90.998 2.404 0.763 0.663 0.982 0.661 CB 1.777 113 residues pruned to eliminate duplicates Z: 184 121.732 2.441 0.775 0.703 0.951 0.743 CB 1.816 184 residues pruned to eliminate duplicates Z: 67 72.747 2.439 0.701 0.772 0.955 0.727 CB 1.777 67 residues pruned to eliminate duplicates Z: 157 117.663 2.458 0.802 0.722 0.949 0.712 CB 1.834 157 residues pruned to eliminate duplicates Z: 40 55.516 2.452 0.780 0.753 0.949 0.821 CB 1.714 40 residues pruned to eliminate duplicates Z: 142 108.638 2.460 0.704 0.749 0.965 0.766 CB 1.812 142 residues pruned to eliminate duplicates Z: 143 106.633 2.438 0.708 0.753 0.951 0.817 CB 1.805 143 residues pruned to eliminate duplicates Z: 107 90.164 2.411 0.756 0.724 0.953 0.689 CB 1.774 107 residues pruned to eliminate duplicates Z: 59 57.096 2.329 0.685 0.678 0.966 0.741 CB 1.680 59 residues pruned to eliminate duplicates Z: 132 102.413 2.419 0.780 0.701 0.954 0.725 CB 1.814 132 residues pruned to eliminate duplicates Z: 54 62.531 2.360 0.771 0.707 0.962 0.679 CB 1.769 54 residues pruned to eliminate duplicates Z: 59 63.561 2.358 0.777 0.681 0.948 0.707 CB 1.778 59 residues pruned to eliminate duplicates Z: 185 122.129 2.440 0.744 0.716 0.962 0.745 CB 1.809 185 residues pruned to eliminate duplicates Z: 18 49.313 2.413 1.061 0.916 1.000 0.882 CB 1.698 18 residues pruned to eliminate duplicates Z: 68 75.052 2.417 0.774 0.743 0.985 0.836 CB 1.747 68 residues pruned to eliminate duplicates Z: 55 73.437 2.452 0.867 0.787 0.963 0.796 CB 1.761 55 residues pruned to eliminate duplicates Z: 143 116.170 2.456 0.843 0.732 0.958 0.761 CB 1.826 143 residues pruned to eliminate duplicates Z: 90 87.602 2.446 0.808 0.711 0.955 0.685 CB 1.816 90 residues pruned to eliminate duplicates Z: 77 75.810 2.405 0.776 0.715 0.947 0.724 CB 1.769 77 residues pruned to eliminate duplicates Z: 144 111.731 2.446 0.760 0.741 0.965 0.811 CB 1.812 142 residues pruned to eliminate duplicates Z: 18 26.111 2.240 0.326 0.814 1.000 0.941 CB 1.622 18 residues pruned to eliminate duplicates Z: 121 86.784 2.415 0.649 0.686 0.950 0.708 CB 1.767 121 residues pruned to eliminate duplicates Z: 69 65.623 2.377 0.629 0.710 0.971 0.765 CB 1.750 69 residues pruned to eliminate duplicates Z: 68 68.193 2.395 0.635 0.734 0.970 0.716 CB 1.776 68 residues pruned to eliminate duplicates Z: 68 71.282 2.411 0.708 0.757 0.955 0.806 CB 1.761 68 residues pruned to eliminate duplicates Z: 128 97.024 2.440 0.699 0.724 0.945 0.787 CB 1.795 128 residues pruned to eliminate duplicates Z: 156 116.198 2.465 0.782 0.728 0.955 0.748 CB 1.811 156 residues pruned to eliminate duplicates Z: 107 92.236 2.440 0.737 0.733 0.962 0.764 CB 1.781 107 residues pruned to eliminate duplicates Z: 91 82.439 2.426 0.697 0.701 0.967 0.767 CB 1.818 91 residues pruned to eliminate duplicates Z: 71 78.842 2.426 0.821 0.747 0.957 0.771 CB 1.787 71 residues pruned to eliminate duplicates Z: 71 76.150 2.434 0.725 0.759 0.971 0.829 CB 1.772 71 residues pruned to eliminate duplicates Z: 127 101.891 2.459 0.681 0.735 0.984 0.778 CB 1.807 127 residues pruned to eliminate duplicates Z: 147 103.418 2.431 0.736 0.689 0.952 0.726 CB 1.791 147 residues pruned to eliminate duplicates Z: 113 91.661 2.406 0.817 0.659 0.955 0.705 CB 1.790 113 residues pruned to eliminate duplicates Z: 70 63.524 2.399 0.592 0.698 0.957 0.739 CB 1.748 70 residues pruned to eliminate duplicates Z: 123 104.192 2.461 0.763 0.751 0.951 0.770 CB 1.827 123 residues pruned to eliminate duplicates Z: 92 82.149 2.396 0.774 0.698 0.956 0.736 CB 1.769 92 residues pruned to eliminate duplicates Z: 108 89.618 2.416 0.691 0.714 0.981 0.729 CB 1.780 108 residues pruned to eliminate duplicates Z: 144 110.088 2.431 0.776 0.741 0.951 0.720 CB 1.807 144 residues pruned to eliminate duplicates Z: 96 85.574 2.416 0.692 0.718 0.979 0.758 CB 1.801 96 residues pruned to eliminate duplicates Z: 183 121.572 2.445 0.764 0.706 0.951 0.703 CB 1.822 183 residues pruned to eliminate duplicates Z: 72 78.100 2.386 0.877 0.724 0.958 0.690 CB 1.765 72 residues pruned to eliminate duplicates Z: 142 113.725 2.461 0.830 0.736 0.950 0.723 CB 1.810 142 residues pruned to eliminate duplicates Z: 99 79.667 2.348 0.759 0.694 0.918 0.735 CB 1.778 99 residues pruned to eliminate duplicates Z: 97 85.456 2.387 0.713 0.719 0.979 0.740 CB 1.786 97 residues pruned to eliminate duplicates Z: 145 110.002 2.444 0.741 0.736 0.965 0.778 CB 1.806 145 residues pruned to eliminate duplicates Z: 72 78.222 2.407 0.823 0.747 0.972 0.718 CB 1.746 72 residues pruned to eliminate duplicates Z: 108 95.060 2.445 0.788 0.725 0.972 0.766 CB 1.766 108 residues pruned to eliminate duplicates Z: 107 91.569 2.421 0.750 0.717 0.972 0.736 CB 1.776 107 residues pruned to eliminate duplicates Z: 186 124.237 2.430 0.804 0.704 0.957 0.751 CB 1.808 186 residues pruned to eliminate duplicates Z: 184 125.487 2.433 0.815 0.702 0.956 0.699 CB 1.828 184 residues pruned to eliminate duplicates Z: 67 72.374 2.418 0.741 0.726 0.955 0.712 CB 1.808 67 residues pruned to eliminate duplicates Z: 55 51.451 2.305 0.625 0.661 0.907 0.630 CB 1.774 55 residues pruned to eliminate duplicates Z: 144 115.468 2.451 0.788 0.750 0.979 0.783 CB 1.800 144 residues pruned to eliminate duplicates Z: 87 75.356 2.379 0.678 0.710 0.919 0.698 CB 1.831 87 residues pruned to eliminate duplicates Z: 144 110.049 2.460 0.759 0.734 0.958 0.769 CB 1.799 144 residues pruned to eliminate duplicates Z: 36 51.676 2.410 0.646 0.719 0.971 0.714 CB 1.860 36 residues pruned to eliminate duplicates Z: 105 98.036 2.457 0.787 0.736 0.990 0.750 CB 1.789 105 residues pruned to eliminate duplicates Z: 74 85.072 2.455 0.882 0.739 0.945 0.753 CB 1.841 74 residues pruned to eliminate duplicates Z: 87 82.422 2.407 0.800 0.697 0.942 0.698 CB 1.820 87 residues pruned to eliminate duplicates Z: 37 51.933 2.357 0.767 0.692 0.972 0.722 CB 1.793 37 residues pruned to eliminate duplicates Z: 106 92.286 2.428 0.778 0.729 0.971 0.781 CB 1.748 106 residues pruned to eliminate duplicates Z: 143 114.981 2.455 0.812 0.749 0.972 0.768 CB 1.787 143 residues pruned to eliminate duplicates Z: 95 87.321 2.409 0.720 0.720 0.968 0.745 CB 1.840 70 residues pruned to eliminate duplicates Z: 17 47.014 2.425 0.822 0.932 1.000 0.875 CB 1.858 17 residues pruned to eliminate duplicates Z: 107 95.794 2.440 0.779 0.729 0.972 0.774 CB 1.794 107 residues pruned to eliminate duplicates Z: 127 105.109 2.446 0.827 0.732 0.944 0.794 CB 1.801 56 residues pruned to eliminate duplicates Z: 17 50.394 2.431 0.850 0.932 1.000 0.938 CB 1.956 17 residues pruned to eliminate duplicates Z: 147 104.139 2.429 0.712 0.692 0.973 0.671 CB 1.789 147 residues pruned to eliminate duplicates Z: 80 81.560 2.458 0.751 0.718 0.949 0.734 CB 1.845 80 residues pruned to eliminate duplicates Z: 184 126.666 2.446 0.788 0.715 0.967 0.754 CB 1.821 184 residues pruned to eliminate duplicates Z: 142 114.560 2.468 0.782 0.750 0.972 0.773 CB 1.805 142 residues pruned to eliminate duplicates Z: 184 127.086 2.456 0.750 0.724 0.984 0.776 CB 1.816 184 residues pruned to eliminate duplicates Z: 6 16.438 2.365 0.662 0.464 1.000 0.800 CA 1.940 6 residues pruned to eliminate duplicates Z: 134 111.752 2.468 0.781 0.744 0.970 0.782 CB 1.828 134 residues pruned to eliminate duplicates Z: 142 117.949 2.458 0.839 0.751 0.972 0.723 CB 1.807 143 residues pruned to eliminate duplicates Z: 12 24.173 2.288 0.458 0.849 1.000 0.909 CB 1.619 12 residues pruned to eliminate duplicates Z: 146 108.874 2.443 0.768 0.690 0.972 0.676 CB 1.810 146 residues pruned to eliminate duplicates Z: 74 81.127 2.454 0.809 0.748 0.932 0.795 CB 1.840 74 residues pruned to eliminate duplicates Z: 145 104.249 2.427 0.687 0.722 0.972 0.778 CB 1.786 145 residues pruned to eliminate duplicates Z: 143 114.643 2.457 0.771 0.755 0.972 0.782 CB 1.812 143 residues pruned to eliminate duplicates Z: 128 101.529 2.431 0.763 0.728 0.969 0.811 CB 1.767 128 residues pruned to eliminate duplicates Z: 68 71.058 2.399 0.727 0.720 0.970 0.687 CB 1.771 68 residues pruned to eliminate duplicates Z: 128 109.370 2.448 0.855 0.733 0.961 0.756 CB 1.804 128 residues pruned to eliminate duplicates Z: 143 113.829 2.466 0.776 0.751 0.965 0.768 CB 1.808 143 residues pruned to eliminate duplicates Z: 129 106.869 2.444 0.810 0.730 0.961 0.820 CB 1.807 129 residues pruned to eliminate duplicates Z: 141 108.911 2.411 0.811 0.725 0.964 0.729 CB 1.785 141 residues pruned to eliminate duplicates Z: 185 126.442 2.444 0.800 0.714 0.962 0.766 CB 1.814 185 residues pruned to eliminate duplicates Z: 38 71.790 2.489 0.941 0.798 1.000 0.865 CB 1.882 38 residues pruned to eliminate duplicates Z: 17 45.645 2.436 1.018 0.880 0.938 0.750 CB 1.795 17 residues pruned to eliminate duplicates Z: 80 80.877 2.442 0.804 0.708 0.949 0.734 CB 1.800 80 residues pruned to eliminate duplicates Z: 74 82.571 2.459 0.802 0.753 0.945 0.781 CB 1.842 74 residues pruned to eliminate duplicates Z: 144 114.253 2.453 0.788 0.744 0.965 0.769 CB 1.815 144 residues pruned to eliminate duplicates Z: 129 112.574 2.431 0.913 0.723 0.969 0.766 CB 1.805 129 residues pruned to eliminate duplicates Z: 160 113.314 2.424 0.859 0.690 0.931 0.717 CB 1.800 128 residues pruned to eliminate duplicates Z: 24 48.965 2.448 0.716 0.927 0.957 0.870 CB 1.781 24 residues pruned to eliminate duplicates Z: 129 108.639 2.453 0.881 0.724 0.945 0.750 CB 1.799 129 residues pruned to eliminate duplicates Z: 98 87.923 2.381 0.801 0.709 0.959 0.722 CB 1.797 98 residues pruned to eliminate duplicates Z: 184 125.019 2.446 0.797 0.713 0.951 0.732 CB 1.824 184 residues pruned to eliminate duplicates Z: 144 110.902 2.453 0.768 0.743 0.958 0.811 CB 1.796 144 residues pruned to eliminate duplicates Z: 131 107.134 2.427 0.867 0.723 0.946 0.746 CB 1.792 131 residues pruned to eliminate duplicates Z: 143 115.456 2.459 0.839 0.749 0.958 0.803 CB 1.791 143 residues pruned to eliminate duplicates Z: 41 62.399 2.363 1.047 0.751 0.900 0.750 CB 1.812 41 residues pruned to eliminate duplicates Z: 94 88.682 2.396 0.847 0.713 0.957 0.731 CB 1.790 94 residues pruned to eliminate duplicates Z: 96 90.278 2.384 0.819 0.725 0.968 0.737 CB 1.801 96 residues pruned to eliminate duplicates Z: 145 119.700 2.439 0.875 0.736 0.979 0.743 CB 1.802 145 residues pruned to eliminate duplicates Z: 40 68.221 2.403 1.055 0.776 0.974 0.795 CB 1.780 40 residues pruned to eliminate duplicates Z: 39 77.732 2.468 1.143 0.811 0.974 0.763 CB 1.867 39 residues pruned to eliminate duplicates Z: 73 91.659 2.479 0.940 0.751 0.958 0.778 CB 1.873 73 residues pruned to eliminate duplicates Z: 37 81.830 2.512 1.171 0.794 1.000 0.806 CB 1.933 37 residues pruned to eliminate duplicates Z: 173 123.327 2.429 0.859 0.709 0.959 0.750 CB 1.795 173 residues pruned to eliminate duplicates Z: 39 73.644 2.461 1.135 0.776 0.947 0.842 CB 1.881 39 residues pruned to eliminate duplicates Z: 39 78.765 2.478 1.097 0.798 1.000 0.868 CB 1.896 39 residues pruned to eliminate duplicates Z: 108 101.197 2.424 0.866 0.734 0.972 0.729 CB 1.803 108 residues pruned to eliminate duplicates Z: 43 62.706 2.363 0.987 0.745 0.929 0.762 CB 1.783 43 residues pruned to eliminate duplicates Z: 93 77.956 2.394 0.650 0.700 0.967 0.772 CB 1.773 93 residues pruned to eliminate duplicates Z: 185 133.729 2.442 0.921 0.700 0.962 0.712 CB 1.820 185 residues pruned to eliminate duplicates Z: 39 73.936 2.434 1.040 0.778 1.000 0.789 CB 1.890 39 residues pruned to eliminate duplicates Z: 143 114.262 2.458 0.816 0.746 0.958 0.768 CB 1.799 143 residues pruned to eliminate duplicates Z: 127 112.584 2.457 0.914 0.734 0.960 0.770 CB 1.799 127 residues pruned to eliminate duplicates Z: 130 112.889 2.425 0.958 0.724 0.961 0.721 CB 1.779 130 residues pruned to eliminate duplicates Z: 183 127.556 2.434 0.844 0.713 0.967 0.764 CB 1.797 43 residues pruned to eliminate duplicates Z: 7 14.492 2.142 0.168 0.893 1.000 0.833 CB 1.697 7 residues pruned to eliminate duplicates 362 residues left after pruning, divided into chains as follows: A: 88 B: 95 C: 179 CC for partial structure against native data = 41.39 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.506, Connect. = 0.809 for dens.mod. cycle 1 = 0.300, Contrast = 0.562, Connect. = 0.822 for dens.mod. cycle 2 = 0.300, Contrast = 0.692, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.699, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.711, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.716, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.722, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.725, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.730, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2580 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 605 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 58.703 2.376 0.850 0.909 1.000 0.846 CB 1.860 B: 18 62.530 2.508 1.056 0.952 1.000 0.941 CA 2.025 18 residues pruned to eliminate duplicates C: 19 47.582 2.495 0.921 0.910 0.889 0.722 CB 1.866 D: 18 43.668 2.425 0.693 0.910 1.000 1.000 CB 1.830 E: 27 62.528 2.480 0.773 0.920 1.000 0.846 CB 1.964 27 residues pruned to eliminate duplicates F: 16 40.242 2.422 0.637 0.927 1.000 0.933 CB 1.837 G: 18 35.810 2.407 0.330 0.912 1.000 0.824 CB 1.921 H: 21 53.008 2.390 1.037 0.850 0.950 0.750 C 1.898 21 residues pruned to eliminate duplicates I: 26 69.814 2.570 0.838 0.937 1.000 0.960 CB 2.057 27 residues pruned to eliminate duplicates J: 19 43.388 2.334 0.691 0.917 1.000 0.889 CA 1.829 18 residues pruned to eliminate duplicates K: 16 24.436 2.217 0.198 0.896 1.000 0.867 CB 1.701 L: 16 41.489 2.543 0.562 0.932 1.000 0.933 CB 1.883 16 residues pruned to eliminate duplicates M: 20 51.893 2.343 1.059 0.913 0.947 0.737 CB 1.843 19 residues pruned to eliminate duplicates N: 18 45.533 2.385 0.879 0.932 1.000 0.882 CB 1.721 18 residues pruned to eliminate duplicates O: 18 33.201 2.376 0.478 0.883 0.941 0.941 CB 1.762 P: 18 47.064 2.315 0.976 0.905 1.000 0.882 CB 1.776 18 residues pruned to eliminate duplicates Q: 22 41.797 2.409 0.527 0.821 1.000 0.714 CB 1.877 R: 27 65.974 2.483 1.077 0.934 0.923 0.731 CB 1.896 20 residues pruned to eliminate duplicates S: 17 44.313 2.317 0.866 0.937 1.000 0.938 CB 1.783 18 residues pruned to eliminate duplicates T: 14 32.595 2.375 0.440 0.925 1.000 0.923 CB 1.855 15 residues pruned to eliminate duplicates U: 19 34.967 2.304 0.634 0.837 1.000 0.944 CB 1.636 19 residues pruned to eliminate duplicates V: 10 15.372 2.237 0.091 0.760 1.000 0.444 CA 1.667 W: 18 45.836 2.372 0.763 0.913 1.000 0.824 CB 1.881 X: 18 41.019 2.391 0.514 0.917 1.000 0.882 CB 1.939 18 residues pruned to eliminate duplicates Y: 16 42.035 2.464 0.660 0.946 1.000 0.867 CB 1.834 16 residues pruned to eliminate duplicates Z: 17 33.266 2.469 0.289 0.923 1.000 0.938 CB 1.836 17 residues pruned to eliminate duplicates Z: 14 31.405 2.400 0.380 0.925 1.000 0.923 CB 1.845 15 residues pruned to eliminate duplicates Z: 18 43.026 2.421 0.639 0.914 1.000 0.824 CB 1.860 18 residues pruned to eliminate duplicates Z: 27 76.195 2.442 1.229 0.912 1.000 0.885 CB 1.943 26 residues pruned to eliminate duplicates Z: 27 59.553 2.442 0.830 0.911 1.000 0.923 CB 1.852 27 residues pruned to eliminate duplicates Z: 18 34.005 2.386 0.448 0.913 0.941 0.941 CB 1.795 18 residues pruned to eliminate duplicates Z: 19 37.487 2.290 0.722 0.889 1.000 0.778 CB 1.613 18 residues pruned to eliminate duplicates Z: 17 45.411 2.481 0.627 0.945 1.000 1.000 CB 1.946 17 residues pruned to eliminate duplicates Z: 17 44.855 2.434 0.755 0.926 0.938 0.938 C 1.964 17 residues pruned to eliminate duplicates Z: 17 37.188 2.375 0.565 0.917 1.000 0.938 CA 1.765 17 residues pruned to eliminate duplicates Z: 20 41.697 2.454 0.663 0.918 0.895 0.789 CB 1.847 20 residues pruned to eliminate duplicates Z: 18 37.142 2.422 0.656 0.901 0.941 0.824 CB 1.704 19 residues pruned to eliminate duplicates Z: 18 40.012 2.182 0.874 0.915 1.000 0.882 CB 1.677 Z: 15 30.564 2.407 0.316 0.941 1.000 0.929 CB 1.790 15 residues pruned to eliminate duplicates Z: 16 46.267 2.485 0.684 0.884 1.000 0.867 CA 2.062 16 residues pruned to eliminate duplicates Z: 16 47.874 2.503 0.861 0.936 1.000 0.933 CB 1.847 18 residues pruned to eliminate duplicates Z: 18 49.571 2.396 0.939 0.911 1.000 0.941 CB 1.835 18 residues pruned to eliminate duplicates Z: 17 50.045 2.481 0.942 0.896 0.938 0.812 CA 1.984 17 residues pruned to eliminate duplicates Z: 18 39.192 2.345 0.688 0.925 1.000 0.882 CB 1.686 16 residues pruned to eliminate duplicates Z: 19 38.392 2.338 0.500 0.935 1.000 1.000 CB 1.798 18 residues pruned to eliminate duplicates Z: 17 46.508 2.409 0.804 0.921 1.000 1.000 C 1.883 18 residues pruned to eliminate duplicates Z: 18 44.548 2.342 0.813 0.933 1.000 0.941 CA 1.776 18 residues pruned to eliminate duplicates Z: 16 37.372 2.397 0.510 0.860 1.000 0.800 CA 1.960 16 residues pruned to eliminate duplicates Z: 27 76.711 2.473 1.171 0.930 1.000 0.962 CB 1.960 27 residues pruned to eliminate duplicates Z: 18 49.173 2.389 0.990 0.898 1.000 0.882 CB 1.794 18 residues pruned to eliminate duplicates Z: 18 46.722 2.396 0.714 0.930 1.000 0.941 C 1.929 18 residues pruned to eliminate duplicates Z: 17 45.872 2.439 0.714 0.928 1.000 0.875 CB 1.922 17 residues pruned to eliminate duplicates Z: 13 43.646 2.437 0.962 0.933 0.917 0.833 CB 2.006 13 residues pruned to eliminate duplicates Z: 18 49.248 2.582 0.833 0.921 0.941 0.882 CB 1.887 18 residues pruned to eliminate duplicates Z: 18 38.610 2.394 0.651 0.907 0.941 0.941 CB 1.790 18 residues pruned to eliminate duplicates Z: 17 40.718 2.463 0.746 0.907 0.938 0.812 CB 1.795 17 residues pruned to eliminate duplicates Z: 20 36.239 2.336 0.645 0.882 0.947 0.895 CB 1.651 19 residues pruned to eliminate duplicates Z: 17 44.207 2.396 0.919 0.893 1.000 0.938 CB 1.725 17 residues pruned to eliminate duplicates Z: 18 47.954 2.400 0.727 0.947 1.000 0.941 CB 1.939 18 residues pruned to eliminate duplicates Z: 27 79.898 2.454 1.298 0.923 1.000 0.885 CB 1.952 27 residues pruned to eliminate duplicates Z: 28 76.405 2.392 1.277 0.920 1.000 0.778 CB 1.900 28 residues pruned to eliminate duplicates Z: 27 56.722 2.490 0.732 0.931 0.962 0.923 CB 1.874 27 residues pruned to eliminate duplicates Z: 28 58.852 2.418 0.794 0.918 1.000 0.963 CB 1.841 28 residues pruned to eliminate duplicates Z: 12 22.183 2.308 0.368 0.880 1.000 0.727 CB 1.534 Z: 18 34.812 2.369 0.468 0.928 0.941 0.882 CB 1.806 18 residues pruned to eliminate duplicates Z: 18 52.043 2.386 0.909 0.940 1.000 0.941 CB 1.925 22 residues pruned to eliminate duplicates Z: 23 43.209 2.371 0.627 0.818 1.000 0.682 CB 1.812 23 residues pruned to eliminate duplicates Z: 27 80.203 2.421 1.334 0.908 1.000 0.615 CB 1.978 27 residues pruned to eliminate duplicates Z: 13 37.674 2.430 0.648 0.944 1.000 1.000 CB 1.880 14 residues pruned to eliminate duplicates Z: 18 46.593 2.366 0.872 0.910 1.000 0.941 CB 1.810 18 residues pruned to eliminate duplicates Z: 27 53.914 2.455 0.608 0.900 1.000 0.962 CB 1.912 27 residues pruned to eliminate duplicates Z: 19 47.492 2.331 0.832 0.919 1.000 0.889 CA 1.848 17 residues pruned to eliminate duplicates Z: 26 73.622 2.520 1.267 0.926 0.960 0.680 CB 1.882 27 residues pruned to eliminate duplicates Z: 7 10.341 1.980 0.048 0.761 1.000 0.833 CA 1.613 7 residues pruned to eliminate duplicates Z: 19 36.574 2.307 0.694 0.847 0.944 0.833 CB 1.734 19 residues pruned to eliminate duplicates Z: 18 37.299 2.413 0.515 0.894 1.000 0.882 CB 1.776 18 residues pruned to eliminate duplicates Z: 27 61.321 2.431 0.944 0.893 0.962 0.846 CB 1.900 27 residues pruned to eliminate duplicates Z: 26 86.516 2.540 1.379 0.919 1.000 0.840 CB 2.019 27 residues pruned to eliminate duplicates Z: 18 37.956 2.330 0.679 0.885 0.941 0.882 CB 1.805 18 residues pruned to eliminate duplicates Z: 16 29.508 2.213 0.480 0.917 1.000 0.933 CB 1.642 14 residues pruned to eliminate duplicates Z: 16 45.188 2.455 0.748 0.902 1.000 0.800 CA 1.939 16 residues pruned to eliminate duplicates Z: 18 54.479 2.404 1.010 0.920 1.000 0.765 CA 1.927 20 residues pruned to eliminate duplicates Z: 27 49.734 2.459 0.578 0.909 0.962 0.885 CB 1.856 27 residues pruned to eliminate duplicates Z: 11 17.553 2.213 0.329 0.795 0.900 0.600 C 1.619 Z: 16 42.580 2.415 0.758 0.888 1.000 0.933 CA 1.866 16 residues pruned to eliminate duplicates Z: 18 43.516 2.393 0.950 0.925 1.000 0.941 CB 1.587 17 residues pruned to eliminate duplicates Z: 19 50.258 2.274 0.939 0.932 1.000 0.889 CA 1.876 19 residues pruned to eliminate duplicates Z: 17 41.286 2.320 0.842 0.871 0.938 0.875 CA 1.879 17 residues pruned to eliminate duplicates Z: 17 45.467 2.285 0.981 0.900 1.000 1.000 CB 1.793 17 residues pruned to eliminate duplicates Z: 18 40.699 2.410 0.655 0.907 1.000 1.000 CB 1.759 18 residues pruned to eliminate duplicates Z: 17 35.202 2.308 0.477 0.906 1.000 0.938 CA 1.836 17 residues pruned to eliminate duplicates Z: 19 43.272 2.234 0.746 0.894 1.000 0.889 CA 1.876 19 residues pruned to eliminate duplicates Z: 6 9.022 1.877 0.163 0.766 1.000 0.600 CA 1.460 Z: 17 40.499 2.346 0.690 0.885 1.000 0.875 CA 1.844 17 residues pruned to eliminate duplicates Z: 27 64.710 2.467 1.152 0.921 0.923 0.769 CB 1.823 27 residues pruned to eliminate duplicates Z: 15 27.257 2.377 0.227 0.951 1.000 1.000 CB 1.722 16 residues pruned to eliminate duplicates Z: 17 45.642 2.336 0.956 0.918 1.000 0.812 CA 1.762 17 residues pruned to eliminate duplicates Z: 27 64.902 2.483 1.156 0.905 0.923 0.885 CB 1.833 27 residues pruned to eliminate duplicates Z: 26 90.796 2.563 1.387 0.937 1.000 0.920 CB 2.065 26 residues pruned to eliminate duplicates Z: 18 49.592 2.367 0.878 0.923 1.000 0.882 CA 1.901 18 residues pruned to eliminate duplicates Z: 16 44.019 2.432 0.811 0.939 1.000 0.867 CB 1.793 16 residues pruned to eliminate duplicates Z: 19 41.611 2.446 0.617 0.927 0.944 0.889 CB 1.840 19 residues pruned to eliminate duplicates Z: 16 48.550 2.422 0.895 0.936 1.000 0.933 CA 1.902 16 residues pruned to eliminate duplicates Z: 19 45.926 2.236 0.936 0.922 1.000 0.889 CA 1.758 19 residues pruned to eliminate duplicates Z: 27 75.466 2.442 1.245 0.928 1.000 0.846 CB 1.890 27 residues pruned to eliminate duplicates Z: 27 72.592 2.471 1.182 0.935 1.000 0.808 CB 1.840 28 residues pruned to eliminate duplicates Z: 7 6.540 1.958 0.082 0.672 0.833 0.500 CA 1.291 Z: 27 72.310 2.481 1.272 0.917 0.962 0.846 CB 1.847 27 residues pruned to eliminate duplicates Z: 18 36.312 2.377 0.496 0.943 1.000 1.000 CB 1.716 18 residues pruned to eliminate duplicates Z: 17 35.837 2.356 0.524 0.879 1.000 0.812 CB 1.809 17 residues pruned to eliminate duplicates Z: 10 20.530 2.194 0.513 0.705 1.000 0.333 CA 1.711 10 residues pruned to eliminate duplicates Z: 16 33.150 2.306 0.638 0.926 1.000 0.933 CB 1.590 Z: 27 74.243 2.462 1.342 0.909 0.923 0.654 CB 1.942 27 residues pruned to eliminate duplicates Z: 16 40.247 2.526 0.512 0.916 1.000 0.867 CB 1.922 17 residues pruned to eliminate duplicates Z: 21 40.353 2.448 0.408 0.831 1.000 0.850 CA 1.967 21 residues pruned to eliminate duplicates Z: 17 47.719 2.470 0.959 0.928 1.000 0.938 CB 1.727 17 residues pruned to eliminate duplicates Z: 26 77.102 2.571 1.245 0.940 0.960 0.880 CB 1.933 26 residues pruned to eliminate duplicates Z: 18 38.987 2.371 0.686 0.865 0.941 0.882 CB 1.842 18 residues pruned to eliminate duplicates Z: 14 34.812 2.399 0.542 0.939 1.000 1.000 CB 1.814 13 residues pruned to eliminate duplicates Z: 18 39.160 2.347 0.856 0.888 0.882 0.882 CB 1.780 18 residues pruned to eliminate duplicates Z: 18 35.894 2.346 0.417 0.929 1.000 0.882 CA 1.833 18 residues pruned to eliminate duplicates Z: 7 4.886 1.611 0.474 0.649 0.833 0.333 C 0.877 7 residues pruned to eliminate duplicates Z: 17 40.665 2.386 0.805 0.920 0.938 0.875 CB 1.772 17 residues pruned to eliminate duplicates Z: 18 38.339 2.379 0.578 0.918 0.941 0.882 CB 1.856 18 residues pruned to eliminate duplicates Z: 18 34.062 2.388 0.447 0.929 0.882 0.882 CB 1.897 18 residues pruned to eliminate duplicates Z: 17 40.097 2.458 0.678 0.909 1.000 0.938 CB 1.725 17 residues pruned to eliminate duplicates Z: 17 37.044 2.387 0.496 0.891 1.000 0.812 CA 1.865 16 residues pruned to eliminate duplicates Z: 12 21.402 2.080 0.519 0.838 0.909 0.727 CA 1.678 Z: 12 22.021 2.065 0.447 0.844 1.000 0.727 CB 1.653 13 residues pruned to eliminate duplicates Z: 18 44.934 2.406 0.914 0.889 0.941 0.882 CB 1.810 18 residues pruned to eliminate duplicates Z: 14 34.005 2.360 0.607 0.908 0.923 0.923 CB 1.913 14 residues pruned to eliminate duplicates Z: 18 50.765 2.482 0.985 0.887 0.941 0.882 CB 1.914 18 residues pruned to eliminate duplicates Z: 27 69.646 2.478 1.328 0.883 0.923 0.769 CB 1.854 27 residues pruned to eliminate duplicates Z: 12 22.431 2.305 0.330 0.878 1.000 0.636 CB 1.601 12 residues pruned to eliminate duplicates Z: 16 27.226 2.280 0.376 0.920 1.000 0.867 CB 1.578 16 residues pruned to eliminate duplicates Z: 14 31.381 2.410 0.353 0.925 1.000 1.000 CB 1.873 14 residues pruned to eliminate duplicates Z: 15 31.457 2.367 0.456 0.929 1.000 0.929 CB 1.707 15 residues pruned to eliminate duplicates Z: 18 46.494 2.405 0.714 0.934 1.000 0.882 CB 1.907 18 residues pruned to eliminate duplicates Z: 19 42.082 2.220 0.830 0.907 0.944 0.833 CB 1.837 19 residues pruned to eliminate duplicates Z: 14 19.357 2.141 0.127 0.930 1.000 0.923 CB 1.555 Z: 18 42.696 2.394 0.648 0.955 1.000 0.882 CB 1.804 18 residues pruned to eliminate duplicates Z: 16 31.441 2.344 0.440 0.904 1.000 1.000 CB 1.713 16 residues pruned to eliminate duplicates Z: 18 34.186 2.387 0.393 0.901 1.000 0.824 CB 1.780 18 residues pruned to eliminate duplicates Z: 16 34.042 2.303 0.652 0.933 1.000 1.000 CB 1.612 16 residues pruned to eliminate duplicates Z: 18 39.167 2.360 0.571 0.921 1.000 0.882 CB 1.803 18 residues pruned to eliminate duplicates Z: 27 75.278 2.443 1.307 0.932 0.962 0.808 CB 1.902 27 residues pruned to eliminate duplicates Z: 17 31.099 2.233 0.481 0.900 1.000 1.000 CB 1.680 17 residues pruned to eliminate duplicates Z: 26 84.526 2.573 1.226 0.931 1.000 0.920 CB 2.062 26 residues pruned to eliminate duplicates Z: 27 79.539 2.452 1.286 0.928 1.000 0.923 CB 1.949 26 residues pruned to eliminate duplicates Z: 11 21.190 2.083 0.392 0.905 1.000 0.800 C 1.646 Z: 11 25.992 2.130 0.686 0.903 1.000 0.800 C 1.631 11 residues pruned to eliminate duplicates Z: 11 17.600 2.027 0.301 0.833 0.900 0.800 CA 1.760 11 residues pruned to eliminate duplicates Z: 6 6.467 2.045 -0.154 0.868 0.800 0.600 CA 1.527 6 residues pruned to eliminate duplicates Z: 18 39.418 2.294 0.739 0.895 0.941 0.824 CA 1.826 18 residues pruned to eliminate duplicates Z: 16 38.505 2.493 0.539 0.920 1.000 0.933 CB 1.825 16 residues pruned to eliminate duplicates Z: 32 34.375 2.253 0.611 0.599 0.903 0.613 CB 1.715 23 residues pruned to eliminate duplicates Z: 12 18.240 2.244 0.194 0.853 1.000 0.455 CB 1.517 12 residues pruned to eliminate duplicates Z: 97 87.974 2.392 0.777 0.725 0.958 0.688 CB 1.799 82 residues pruned to eliminate duplicates Z: 18 49.580 2.397 0.950 0.894 1.000 0.882 CB 1.845 18 residues pruned to eliminate duplicates Z: 18 37.952 2.367 0.625 0.894 0.941 0.824 CB 1.824 18 residues pruned to eliminate duplicates Z: 7 24.230 2.595 0.481 0.719 1.000 0.500 CA 2.111 7 residues pruned to eliminate duplicates Z: 10 21.945 2.310 0.197 0.892 1.000 0.667 C 1.900 10 residues pruned to eliminate duplicates Z: 16 48.502 2.523 0.840 0.935 1.000 0.867 CB 1.880 19 residues pruned to eliminate duplicates Z: 18 45.620 2.147 1.131 0.916 1.000 0.529 CA 1.708 18 residues pruned to eliminate duplicates Z: 17 40.234 2.341 0.648 0.881 1.000 0.812 C 1.888 17 residues pruned to eliminate duplicates Z: 11 22.473 2.259 0.340 0.798 1.000 0.300 CB 1.809 11 residues pruned to eliminate duplicates Z: 18 45.330 2.447 0.815 0.929 1.000 1.000 CB 1.732 18 residues pruned to eliminate duplicates Z: 14 39.319 2.402 0.791 0.916 1.000 0.846 CB 1.791 14 residues pruned to eliminate duplicates Z: 27 55.039 2.422 0.948 0.903 0.923 0.654 CB 1.767 27 residues pruned to eliminate duplicates Z: 19 39.039 2.274 0.610 0.913 0.944 0.889 CA 1.884 19 residues pruned to eliminate duplicates Z: 12 23.634 2.073 0.563 0.919 1.000 0.818 C 1.549 12 residues pruned to eliminate duplicates Z: 10 29.112 2.306 0.647 0.938 1.000 0.667 C 1.777 10 residues pruned to eliminate duplicates Z: 11 21.369 1.999 0.468 0.932 1.000 0.800 CA 1.608 11 residues pruned to eliminate duplicates Z: 18 38.658 2.381 0.615 0.937 1.000 1.000 CB 1.696 18 residues pruned to eliminate duplicates Z: 17 41.091 2.415 0.625 0.923 1.000 0.938 CB 1.841 17 residues pruned to eliminate duplicates Z: 27 66.443 2.431 0.993 0.925 1.000 0.885 CB 1.888 27 residues pruned to eliminate duplicates Z: 27 79.718 2.479 1.256 0.930 1.000 0.846 CB 1.955 27 residues pruned to eliminate duplicates Z: 15 32.475 2.382 0.615 0.933 0.929 0.857 CB 1.695 15 residues pruned to eliminate duplicates Z: 18 44.956 2.392 0.664 0.939 1.000 1.000 CB 1.903 18 residues pruned to eliminate duplicates Z: 15 26.118 2.214 0.397 0.905 1.000 0.929 CB 1.607 15 residues pruned to eliminate duplicates Z: 18 45.664 2.363 0.775 0.942 1.000 0.941 CB 1.830 18 residues pruned to eliminate duplicates Z: 16 37.597 2.420 0.475 0.922 1.000 1.000 CB 1.913 16 residues pruned to eliminate duplicates Z: 18 52.270 2.427 0.974 0.925 0.941 0.882 CB 1.973 18 residues pruned to eliminate duplicates Z: 15 33.044 2.318 0.500 0.917 1.000 0.714 CB 1.793 15 residues pruned to eliminate duplicates Z: 13 18.572 2.101 0.295 0.772 0.917 0.750 C 1.691 Z: 10 17.628 2.282 0.012 0.873 1.000 0.778 CA 1.853 10 residues pruned to eliminate duplicates Z: 15 21.977 2.110 0.258 0.915 1.000 0.786 CB 1.564 14 residues pruned to eliminate duplicates Z: 39 65.358 2.455 0.811 0.775 1.000 0.763 CB 1.870 39 residues pruned to eliminate duplicates Z: 19 37.417 2.299 0.777 0.855 0.944 0.778 CB 1.688 19 residues pruned to eliminate duplicates Z: 11 11.543 2.117 0.115 0.704 0.800 0.500 C 1.606 11 residues pruned to eliminate duplicates Z: 18 35.877 2.253 0.556 0.866 1.000 0.824 CA 1.816 18 residues pruned to eliminate duplicates Z: 16 28.975 2.338 0.372 0.932 1.000 1.000 CB 1.628 16 residues pruned to eliminate duplicates Z: 14 28.294 2.205 0.364 0.844 1.000 0.923 C 1.941 14 residues pruned to eliminate duplicates Z: 12 15.942 2.147 0.159 0.916 1.000 0.909 CB 1.364 Z: 17 39.660 2.352 0.596 0.877 1.000 0.875 CB 1.919 17 residues pruned to eliminate duplicates Z: 94 93.714 2.408 0.804 0.738 0.989 0.688 CB 1.826 94 residues pruned to eliminate duplicates Z: 14 19.512 2.147 0.178 0.921 0.923 0.846 CB 1.632 14 residues pruned to eliminate duplicates Z: 14 17.797 2.131 0.064 0.924 1.000 0.923 CB 1.530 14 residues pruned to eliminate duplicates Z: 15 22.060 2.105 0.261 0.900 1.000 0.786 CB 1.587 15 residues pruned to eliminate duplicates Z: 13 25.184 2.142 0.592 0.891 1.000 0.917 CB 1.532 13 residues pruned to eliminate duplicates Z: 8 7.950 1.652 0.354 0.693 1.000 0.286 CA 1.126 8 residues pruned to eliminate duplicates Z: 11 17.877 2.194 0.358 0.768 0.900 0.500 CA 1.663 11 residues pruned to eliminate duplicates Z: 174 116.883 2.411 0.707 0.719 0.965 0.705 CB 1.835 156 residues pruned to eliminate duplicates Z: 11 17.574 2.176 0.353 0.796 0.900 0.600 C 1.618 11 residues pruned to eliminate duplicates Z: 10 25.698 2.316 0.493 0.918 1.000 0.889 CB 1.747 10 residues pruned to eliminate duplicates Z: 18 39.841 2.362 0.531 0.931 1.000 1.000 CB 1.867 18 residues pruned to eliminate duplicates Z: 19 46.324 2.420 0.845 0.928 0.944 0.889 CB 1.813 19 residues pruned to eliminate duplicates Z: 12 16.799 2.146 0.278 0.894 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 18 51.774 2.301 1.042 0.911 1.000 0.765 CB 1.894 18 residues pruned to eliminate duplicates Z: 10 17.618 2.148 0.154 0.921 1.000 1.000 CA 1.667 10 residues pruned to eliminate duplicates Z: 27 72.420 2.459 1.245 0.930 1.000 0.808 CB 1.798 27 residues pruned to eliminate duplicates Z: 11 22.717 2.110 0.501 0.918 1.000 0.500 C 1.599 11 residues pruned to eliminate duplicates Z: 57 56.021 2.390 0.596 0.688 0.911 0.696 CB 1.813 50 residues pruned to eliminate duplicates Z: 6 9.200 1.973 0.123 0.777 1.000 0.600 C 1.455 6 residues pruned to eliminate duplicates Z: 12 16.861 2.017 0.445 0.871 0.818 0.727 CB 1.555 12 residues pruned to eliminate duplicates Z: 14 19.493 2.143 0.118 0.923 1.000 0.846 CB 1.586 14 residues pruned to eliminate duplicates Z: 18 31.755 2.375 0.437 0.895 0.941 0.941 CB 1.718 18 residues pruned to eliminate duplicates Z: 17 40.976 2.302 0.869 0.896 0.938 0.688 CB 1.820 17 residues pruned to eliminate duplicates Z: 11 26.589 2.096 0.754 0.902 1.000 0.800 CA 1.631 11 residues pruned to eliminate duplicates Z: 129 109.855 2.433 0.765 0.740 0.984 0.688 CB 1.852 128 residues pruned to eliminate duplicates Z: 14 23.426 2.148 0.291 0.928 1.000 0.769 CB 1.641 14 residues pruned to eliminate duplicates Z: 18 38.041 2.333 0.562 0.925 1.000 0.882 CA 1.777 18 residues pruned to eliminate duplicates Z: 9 10.604 1.814 0.054 0.836 1.000 1.000 CA 1.468 10 residues pruned to eliminate duplicates Z: 17 33.300 2.289 0.543 0.900 0.938 0.812 CA 1.796 17 residues pruned to eliminate duplicates Z: 19 39.283 2.287 0.452 0.908 1.000 0.833 C 1.979 19 residues pruned to eliminate duplicates Z: 14 39.574 2.337 0.781 0.935 1.000 0.846 CB 1.838 14 residues pruned to eliminate duplicates Z: 17 24.841 2.256 0.287 0.812 0.938 0.625 CA 1.739 17 residues pruned to eliminate duplicates Z: 7 8.129 1.982 0.091 0.849 0.833 0.667 CA 1.364 7 residues pruned to eliminate duplicates Z: 14 17.866 2.125 0.055 0.909 1.000 0.846 CB 1.569 14 residues pruned to eliminate duplicates Z: 18 55.422 2.439 1.123 0.934 0.941 0.824 CB 1.923 18 residues pruned to eliminate duplicates Z: 14 17.300 2.088 0.052 0.925 1.000 0.692 CB 1.532 14 residues pruned to eliminate duplicates Z: 8 10.952 1.793 0.116 0.801 1.000 0.714 CA 1.590 8 residues pruned to eliminate duplicates Z: 58 51.560 2.271 0.534 0.671 0.965 0.667 CB 1.734 58 residues pruned to eliminate duplicates Z: 58 50.856 2.289 0.529 0.669 0.947 0.596 CB 1.738 58 residues pruned to eliminate duplicates Z: 19 52.349 2.296 1.066 0.913 1.000 0.889 CA 1.841 19 residues pruned to eliminate duplicates Z: 18 48.285 2.401 0.800 0.931 1.000 0.882 CB 1.894 18 residues pruned to eliminate duplicates Z: 27 77.971 2.416 1.324 0.916 1.000 0.769 CB 1.924 27 residues pruned to eliminate duplicates Z: 27 76.367 2.453 1.314 0.907 0.962 0.885 CB 1.950 27 residues pruned to eliminate duplicates Z: 11 17.742 2.071 0.467 0.848 0.800 0.500 C 1.712 11 residues pruned to eliminate duplicates Z: 18 42.790 2.401 0.993 0.897 0.941 0.824 CB 1.649 18 residues pruned to eliminate duplicates Z: 14 38.782 2.369 0.745 0.938 1.000 0.923 CB 1.810 14 residues pruned to eliminate duplicates Z: 17 50.197 2.498 0.838 0.919 1.000 0.938 CB 1.925 17 residues pruned to eliminate duplicates Z: 15 25.369 2.003 0.539 0.932 1.000 0.786 CB 1.536 15 residues pruned to eliminate duplicates Z: 11 12.884 1.998 0.099 0.735 0.900 0.600 CA 1.670 11 residues pruned to eliminate duplicates Z: 27 64.557 2.468 1.210 0.903 0.923 0.769 CB 1.793 27 residues pruned to eliminate duplicates Z: 22 37.813 2.347 0.551 0.816 0.952 0.810 CB 1.809 22 residues pruned to eliminate duplicates Z: 12 21.962 2.007 0.446 0.922 1.000 0.818 C 1.604 12 residues pruned to eliminate duplicates Z: 27 57.174 2.484 0.927 0.893 0.923 0.769 CB 1.821 27 residues pruned to eliminate duplicates Z: 16 31.798 2.321 0.515 0.916 1.000 1.000 CB 1.649 16 residues pruned to eliminate duplicates Z: 18 33.466 2.368 0.477 0.890 1.000 0.941 CB 1.670 18 residues pruned to eliminate duplicates Z: 11 33.215 2.482 0.648 0.908 1.000 0.900 CB 1.824 11 residues pruned to eliminate duplicates Z: 42 39.262 2.227 0.503 0.620 0.976 0.561 CB 1.676 42 residues pruned to eliminate duplicates Z: 14 37.351 2.392 0.661 0.935 1.000 0.846 CB 1.817 14 residues pruned to eliminate duplicates Z: 7 9.974 1.931 -0.097 0.878 1.000 0.833 C 1.695 7 residues pruned to eliminate duplicates Z: 143 114.394 2.449 0.790 0.759 0.972 0.754 CB 1.790 138 residues pruned to eliminate duplicates Z: 27 64.470 2.495 1.131 0.893 0.923 0.846 CB 1.849 27 residues pruned to eliminate duplicates Z: 15 38.367 2.348 0.693 0.927 1.000 0.786 CB 1.808 15 residues pruned to eliminate duplicates Z: 11 17.254 2.182 0.188 0.803 1.000 0.500 C 1.616 11 residues pruned to eliminate duplicates Z: 16 49.201 2.521 1.010 0.933 0.933 0.933 CB 1.874 16 residues pruned to eliminate duplicates Z: 6 6.899 1.877 0.133 0.853 0.800 0.800 N 1.341 6 residues pruned to eliminate duplicates Z: 18 34.036 2.296 0.434 0.915 1.000 0.824 CB 1.771 18 residues pruned to eliminate duplicates Z: 26 72.011 2.568 1.141 0.935 0.960 0.800 CB 1.902 26 residues pruned to eliminate duplicates Z: 11 24.680 2.129 0.733 0.843 1.000 0.700 CB 1.574 11 residues pruned to eliminate duplicates Z: 10 25.929 2.351 0.398 0.903 1.000 0.889 C 1.873 10 residues pruned to eliminate duplicates Z: 10 24.628 2.291 0.543 0.914 1.000 0.889 CB 1.643 10 residues pruned to eliminate duplicates Z: 16 28.434 2.295 0.385 0.927 1.000 1.000 CB 1.618 16 residues pruned to eliminate duplicates Z: 13 10.812 1.937 0.055 0.793 1.000 0.833 CB 1.182 13 residues pruned to eliminate duplicates Z: 12 32.411 2.268 0.732 0.883 1.000 0.818 CB 1.800 12 residues pruned to eliminate duplicates Z: 15 32.079 2.175 0.637 0.833 0.929 0.643 CA 1.945 15 residues pruned to eliminate duplicates Z: 17 42.290 2.354 0.697 0.905 1.000 0.750 CA 1.884 17 residues pruned to eliminate duplicates Z: 12 22.458 2.324 0.353 0.883 1.000 0.818 CB 1.557 12 residues pruned to eliminate duplicates Z: 12 24.471 2.304 0.451 0.901 1.000 1.000 CB 1.577 12 residues pruned to eliminate duplicates Z: 14 23.143 2.154 0.396 0.937 0.923 0.846 CB 1.608 14 residues pruned to eliminate duplicates Z: 8 10.011 1.714 0.119 0.808 1.000 0.857 C 1.508 8 residues pruned to eliminate duplicates Z: 12 24.916 2.285 0.483 0.879 1.000 0.727 CB 1.608 12 residues pruned to eliminate duplicates Z: 6 4.386 2.076 -0.139 0.490 0.800 0.600 CB 1.385 6 residues pruned to eliminate duplicates Z: 15 34.225 2.315 0.703 0.929 1.000 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 11 15.335 2.030 0.374 0.811 0.900 0.500 C 1.474 11 residues pruned to eliminate duplicates Z: 14 19.805 2.140 0.101 0.927 1.000 0.769 CB 1.633 14 residues pruned to eliminate duplicates Z: 11 26.325 2.174 0.528 0.909 1.000 0.600 C 1.778 11 residues pruned to eliminate duplicates Z: 157 113.315 2.431 0.749 0.711 0.962 0.724 CB 1.833 157 residues pruned to eliminate duplicates Z: 12 16.746 2.027 0.159 0.870 0.909 0.909 CB 1.725 12 residues pruned to eliminate duplicates Z: 17 28.304 2.173 0.513 0.853 1.000 0.688 CB 1.590 17 residues pruned to eliminate duplicates Z: 12 14.116 2.079 0.199 0.832 0.909 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 184 115.999 2.434 0.665 0.704 0.962 0.727 CB 1.827 184 residues pruned to eliminate duplicates Z: 28 42.935 2.346 0.745 0.661 0.963 0.852 CB 1.805 28 residues pruned to eliminate duplicates Z: 12 24.341 2.303 0.492 0.915 1.000 0.818 CB 1.509 12 residues pruned to eliminate duplicates Z: 6 5.038 1.927 -0.079 0.490 1.000 0.600 CB 1.281 6 residues pruned to eliminate duplicates Z: 9 16.830 2.128 0.480 0.770 0.875 0.500 CA 1.701 9 residues pruned to eliminate duplicates Z: 12 21.376 2.222 0.496 0.833 0.909 0.727 CB 1.600 12 residues pruned to eliminate duplicates Z: 15 37.194 2.366 0.665 0.926 1.000 0.857 CB 1.770 15 residues pruned to eliminate duplicates Z: 14 16.562 2.055 0.159 0.859 0.923 0.846 CB 1.537 14 residues pruned to eliminate duplicates Z: 12 24.467 2.285 0.549 0.866 1.000 0.727 CB 1.526 12 residues pruned to eliminate duplicates Z: 11 22.270 2.092 0.505 0.923 1.000 0.700 C 1.572 11 residues pruned to eliminate duplicates Z: 9 10.606 1.692 0.195 0.848 1.000 0.750 CB 1.375 7 residues pruned to eliminate duplicates Z: 14 27.452 2.136 0.535 0.946 1.000 0.923 CB 1.607 14 residues pruned to eliminate duplicates Z: 11 28.399 2.456 0.514 0.896 1.000 0.900 CB 1.730 11 residues pruned to eliminate duplicates Z: 17 40.342 2.378 0.641 0.887 1.000 0.750 CA 1.863 17 residues pruned to eliminate duplicates Z: 6 7.818 2.093 0.162 0.649 0.800 0.200 CA 1.564 6 residues pruned to eliminate duplicates Z: 184 117.238 2.402 0.616 0.727 0.989 0.727 CB 1.840 184 residues pruned to eliminate duplicates Z: 18 43.842 2.391 0.650 0.922 1.000 0.706 CB 1.895 18 residues pruned to eliminate duplicates Z: 37 38.114 2.194 0.654 0.590 0.972 0.694 CB 1.652 37 residues pruned to eliminate duplicates Z: 18 38.108 2.356 0.893 0.876 0.882 0.706 CB 1.706 18 residues pruned to eliminate duplicates Z: 28 39.552 2.336 0.684 0.667 0.963 0.778 CB 1.721 28 residues pruned to eliminate duplicates Z: 18 39.464 2.473 0.447 0.933 1.000 0.941 C 1.866 18 residues pruned to eliminate duplicates Z: 27 70.251 2.412 1.290 0.922 0.923 0.846 CB 1.900 27 residues pruned to eliminate duplicates Z: 13 15.569 1.918 0.388 0.865 1.000 0.583 CB 1.237 13 residues pruned to eliminate duplicates Z: 11 24.202 2.141 0.642 0.915 0.900 0.600 CB 1.710 11 residues pruned to eliminate duplicates Z: 12 23.015 2.260 0.530 0.860 1.000 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 43 68.596 2.417 0.917 0.727 0.976 0.738 CB 1.907 43 residues pruned to eliminate duplicates Z: 79 59.402 2.280 0.723 0.608 0.897 0.641 CB 1.721 79 residues pruned to eliminate duplicates Z: 17 43.471 2.257 0.970 0.885 1.000 0.875 CA 1.764 17 residues pruned to eliminate duplicates Z: 17 43.098 2.432 0.778 0.927 1.000 1.000 CB 1.746 17 residues pruned to eliminate duplicates Z: 7 11.189 1.941 0.638 0.653 0.833 0.667 CA 1.495 7 residues pruned to eliminate duplicates Z: 38 37.402 2.318 0.525 0.574 0.973 0.568 CB 1.664 38 residues pruned to eliminate duplicates Z: 6 7.747 2.013 0.071 0.795 0.800 0.800 CA 1.552 6 residues pruned to eliminate duplicates Z: 6 14.660 2.079 0.577 0.717 1.000 0.600 C 1.643 6 residues pruned to eliminate duplicates Z: 6 11.378 1.980 0.458 0.719 1.000 0.400 CA 1.446 6 residues pruned to eliminate duplicates Z: 17 40.057 2.333 0.711 0.877 1.000 0.812 CB 1.821 17 residues pruned to eliminate duplicates Z: 27 72.503 2.459 1.212 0.936 1.000 0.769 CB 1.820 27 residues pruned to eliminate duplicates Z: 29 41.026 2.338 0.755 0.663 0.964 0.714 CB 1.684 30 residues pruned to eliminate duplicates Z: 16 36.407 2.273 0.752 0.940 1.000 0.800 CB 1.639 16 residues pruned to eliminate duplicates Z: 16 37.506 2.358 0.647 0.910 1.000 0.867 CA 1.768 16 residues pruned to eliminate duplicates Z: 17 40.657 2.356 0.679 0.904 1.000 0.750 CA 1.830 17 residues pruned to eliminate duplicates Z: 39 35.638 2.266 0.508 0.541 0.947 0.579 CB 1.716 39 residues pruned to eliminate duplicates Z: 10 16.965 2.072 0.345 0.934 0.889 0.778 CB 1.592 10 residues pruned to eliminate duplicates Z: 40 38.210 2.260 0.599 0.614 0.897 0.513 CB 1.693 40 residues pruned to eliminate duplicates Z: 7 9.335 1.809 -0.049 0.867 1.000 1.000 C 1.620 7 residues pruned to eliminate duplicates Z: 13 22.894 2.093 0.515 0.849 1.000 0.750 CB 1.546 13 residues pruned to eliminate duplicates Z: 17 35.212 2.340 0.419 0.883 1.000 0.812 C 1.918 17 residues pruned to eliminate duplicates Z: 11 20.655 2.080 0.643 0.811 0.900 0.500 CA 1.619 11 residues pruned to eliminate duplicates Z: 89 75.962 2.401 0.577 0.727 0.955 0.693 CB 1.825 89 residues pruned to eliminate duplicates Z: 16 32.624 2.317 0.627 0.927 1.000 0.867 CB 1.566 16 residues pruned to eliminate duplicates Z: 7 13.167 2.036 0.132 0.887 1.000 1.000 C 1.682 7 residues pruned to eliminate duplicates Z: 11 20.100 2.139 0.275 0.887 1.000 0.800 CA 1.680 11 residues pruned to eliminate duplicates Z: 7 5.305 1.631 0.037 0.814 0.833 0.833 C 1.170 7 residues pruned to eliminate duplicates Z: 27 63.334 2.480 0.913 0.931 0.962 0.923 CB 1.902 27 residues pruned to eliminate duplicates Z: 9 18.516 2.245 0.442 0.806 1.000 0.750 C 1.549 9 residues pruned to eliminate duplicates Z: 17 40.777 2.372 0.690 0.888 1.000 0.812 CA 1.831 17 residues pruned to eliminate duplicates Z: 12 19.423 2.136 0.393 0.902 1.000 0.909 CB 1.403 12 residues pruned to eliminate duplicates Z: 26 52.898 2.532 0.642 0.931 0.960 0.920 CB 1.852 26 residues pruned to eliminate duplicates Z: 113 83.838 2.353 0.711 0.699 0.938 0.750 CB 1.751 113 residues pruned to eliminate duplicates Z: 7 10.456 1.888 0.595 0.644 1.000 0.333 CA 1.239 7 residues pruned to eliminate duplicates Z: 18 39.670 2.273 0.789 0.936 1.000 1.000 CB 1.648 18 residues pruned to eliminate duplicates Z: 11 19.982 2.244 0.322 0.888 1.000 0.900 CB 1.535 11 residues pruned to eliminate duplicates Z: 22 39.460 2.388 0.603 0.819 0.905 0.762 CB 1.885 22 residues pruned to eliminate duplicates Z: 17 34.503 2.364 0.526 0.910 0.938 0.938 CA 1.809 17 residues pruned to eliminate duplicates Z: 17 56.051 2.473 0.895 0.948 1.000 0.938 CB 2.066 17 residues pruned to eliminate duplicates Z: 30 28.374 2.120 0.538 0.649 0.966 0.690 CB 1.457 30 residues pruned to eliminate duplicates Z: 43 32.654 2.202 0.373 0.597 0.952 0.667 CB 1.594 43 residues pruned to eliminate duplicates Z: 6 8.735 2.016 -0.035 0.872 1.000 0.600 CA 1.463 6 residues pruned to eliminate duplicates Z: 14 12.072 2.007 0.006 0.920 1.000 0.846 CB 1.167 14 residues pruned to eliminate duplicates Z: 12 23.187 2.332 0.427 0.854 1.000 0.818 CB 1.551 12 residues pruned to eliminate duplicates Z: 58 51.939 2.266 0.640 0.662 0.947 0.579 CB 1.682 58 residues pruned to eliminate duplicates Z: 15 23.199 2.025 0.665 0.903 0.929 0.786 CB 1.412 15 residues pruned to eliminate duplicates Z: 11 13.552 2.167 0.130 0.866 0.900 0.700 CB 1.424 11 residues pruned to eliminate duplicates Z: 27 72.939 2.392 1.302 0.925 1.000 0.808 CB 1.823 27 residues pruned to eliminate duplicates Z: 12 19.339 2.081 0.256 0.871 1.000 0.818 C 1.627 12 residues pruned to eliminate duplicates Z: 18 34.702 2.206 0.795 0.863 0.882 0.647 C 1.768 18 residues pruned to eliminate duplicates Z: 141 111.916 2.450 0.692 0.754 0.964 0.764 CB 1.888 141 residues pruned to eliminate duplicates Z: 7 6.887 1.691 0.091 0.714 1.000 0.333 CA 1.255 7 residues pruned to eliminate duplicates Z: 27 76.781 2.447 1.180 0.911 1.000 0.846 CB 2.001 27 residues pruned to eliminate duplicates Z: 25 36.743 2.214 0.890 0.635 0.917 0.667 CB 1.723 25 residues pruned to eliminate duplicates Z: 11 22.381 2.208 0.470 0.800 1.000 0.500 C 1.677 11 residues pruned to eliminate duplicates Z: 18 51.053 2.351 1.126 0.903 0.941 0.882 CB 1.876 18 residues pruned to eliminate duplicates Z: 18 31.938 2.398 0.305 0.916 1.000 0.824 CA 1.748 18 residues pruned to eliminate duplicates Z: 10 18.821 2.165 0.447 0.838 0.889 0.778 C 1.683 10 residues pruned to eliminate duplicates Z: 18 38.356 2.317 0.801 0.841 0.941 0.765 CB 1.766 18 residues pruned to eliminate duplicates Z: 18 50.591 2.410 0.789 0.944 1.000 0.882 CB 1.970 18 residues pruned to eliminate duplicates Z: 18 41.613 2.356 0.858 0.928 1.000 1.000 CB 1.615 18 residues pruned to eliminate duplicates Z: 147 97.193 2.344 0.673 0.681 0.973 0.671 CB 1.785 147 residues pruned to eliminate duplicates Z: 16 53.466 2.389 1.148 0.944 1.000 0.933 CA 1.863 16 residues pruned to eliminate duplicates Z: 26 51.349 2.492 0.638 0.919 0.960 0.880 CB 1.847 26 residues pruned to eliminate duplicates Z: 26 60.944 2.424 0.917 0.932 1.000 0.880 CB 1.832 26 residues pruned to eliminate duplicates Z: 6 13.806 2.130 0.452 0.882 1.000 1.000 CB 1.444 6 residues pruned to eliminate duplicates Z: 43 49.187 2.376 0.685 0.587 0.952 0.643 CB 1.833 42 residues pruned to eliminate duplicates Z: 180 118.389 2.435 0.739 0.716 0.950 0.737 CB 1.809 180 residues pruned to eliminate duplicates Z: 18 34.765 2.349 0.581 0.905 0.941 0.824 CB 1.718 18 residues pruned to eliminate duplicates Z: 12 17.783 2.172 0.228 0.901 1.000 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 15 41.931 2.356 0.913 0.944 1.000 0.857 CB 1.721 15 residues pruned to eliminate duplicates Z: 42 62.022 2.398 0.913 0.689 0.976 0.707 CB 1.821 42 residues pruned to eliminate duplicates Z: 11 16.086 1.971 0.284 0.863 1.000 1.000 CB 1.474 11 residues pruned to eliminate duplicates Z: 47 56.004 2.404 0.727 0.684 0.935 0.717 CB 1.798 47 residues pruned to eliminate duplicates Z: 12 18.754 2.122 0.872 0.666 0.909 0.364 CA 1.343 12 residues pruned to eliminate duplicates Z: 16 29.981 2.228 0.583 0.883 1.000 0.667 CB 1.588 16 residues pruned to eliminate duplicates Z: 11 12.985 2.146 -0.046 0.761 1.000 0.800 C 1.589 11 residues pruned to eliminate duplicates Z: 19 61.161 2.428 1.211 0.917 0.944 0.778 C 2.007 19 residues pruned to eliminate duplicates Z: 14 28.100 2.108 0.596 0.935 1.000 0.846 CB 1.614 14 residues pruned to eliminate duplicates Z: 39 72.253 2.429 0.975 0.798 1.000 0.842 CB 1.883 39 residues pruned to eliminate duplicates Z: 17 37.144 2.376 0.492 0.925 1.000 0.875 CB 1.838 17 residues pruned to eliminate duplicates Z: 8 9.295 1.584 0.586 0.712 1.000 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 170 102.438 2.381 0.684 0.681 0.941 0.675 CB 1.769 170 residues pruned to eliminate duplicates Z: 6 8.989 2.027 0.103 0.818 1.000 1.000 CA 1.364 6 residues pruned to eliminate duplicates Z: 52 57.631 2.385 0.508 0.765 0.980 0.804 CB 1.810 52 residues pruned to eliminate duplicates Z: 13 14.277 1.852 0.217 0.719 1.000 0.500 C 1.500 13 residues pruned to eliminate duplicates Z: 40 51.364 2.376 0.605 0.761 0.923 0.821 CB 1.853 39 residues pruned to eliminate duplicates Z: 82 75.604 2.357 0.720 0.678 0.963 0.667 CB 1.826 82 residues pruned to eliminate duplicates Z: 83 73.441 2.346 0.728 0.698 0.939 0.707 CB 1.778 83 residues pruned to eliminate duplicates Z: 18 44.984 2.375 0.638 0.917 1.000 0.941 C 1.978 18 residues pruned to eliminate duplicates Z: 16 46.322 2.532 0.722 0.947 1.000 0.933 CB 1.896 16 residues pruned to eliminate duplicates Z: 12 14.175 1.985 0.159 0.872 1.000 0.818 CB 1.354 12 residues pruned to eliminate duplicates Z: 133 114.427 2.454 0.794 0.767 0.977 0.765 CB 1.826 133 residues pruned to eliminate duplicates Z: 8 11.222 1.915 0.433 0.817 0.857 0.714 CA 1.370 9 residues pruned to eliminate duplicates Z: 14 27.460 2.383 0.207 0.918 1.000 0.923 CB 1.867 14 residues pruned to eliminate duplicates Z: 16 28.181 2.221 0.544 0.887 0.933 0.667 CB 1.639 16 residues pruned to eliminate duplicates Z: 96 78.993 2.391 0.645 0.706 0.937 0.726 CB 1.824 71 residues pruned to eliminate duplicates Z: 32 79.098 2.552 1.157 0.840 1.000 0.806 CB 1.926 32 residues pruned to eliminate duplicates Z: 14 18.109 1.974 0.429 0.899 0.923 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 14 20.599 2.082 0.320 0.919 1.000 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 17 35.460 2.259 0.595 0.910 1.000 1.000 CB 1.745 17 residues pruned to eliminate duplicates Z: 16 30.884 2.303 0.480 0.913 1.000 1.000 CB 1.655 16 residues pruned to eliminate duplicates Z: 13 17.024 2.023 0.267 0.884 1.000 0.750 CB 1.386 13 residues pruned to eliminate duplicates Z: 16 36.338 2.330 0.640 0.931 1.000 0.867 CB 1.716 16 residues pruned to eliminate duplicates Z: 34 44.116 2.264 0.704 0.653 0.939 0.545 CB 1.838 34 residues pruned to eliminate duplicates Z: 6 5.370 1.625 0.311 0.714 0.800 0.800 CA 1.160 6 residues pruned to eliminate duplicates Z: 13 10.898 1.866 0.181 0.664 0.833 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 142 102.461 2.438 0.679 0.722 0.957 0.759 CB 1.801 142 residues pruned to eliminate duplicates Z: 81 78.558 2.438 0.785 0.664 0.963 0.713 CB 1.802 81 residues pruned to eliminate duplicates Z: 16 19.727 2.105 0.632 0.493 1.000 0.667 CB 1.493 16 residues pruned to eliminate duplicates Z: 45 41.272 2.334 0.536 0.539 0.955 0.523 CB 1.749 45 residues pruned to eliminate duplicates Z: 40 57.415 2.395 0.697 0.792 0.949 0.821 CB 1.845 40 residues pruned to eliminate duplicates Z: 33 56.565 2.426 0.652 0.777 1.000 0.844 C 1.954 35 residues pruned to eliminate duplicates Z: 127 97.143 2.429 0.657 0.728 0.968 0.738 CB 1.808 127 residues pruned to eliminate duplicates Z: 26 53.610 2.321 1.090 0.904 0.880 0.800 CB 1.789 26 residues pruned to eliminate duplicates Z: 15 27.187 1.992 0.774 0.933 0.929 0.857 C 1.545 15 residues pruned to eliminate duplicates Z: 6 3.047 1.291 0.021 0.586 1.000 0.600 N 0.953 Z: 30 40.518 2.328 0.863 0.592 0.931 0.655 CB 1.706 30 residues pruned to eliminate duplicates Z: 12 12.154 2.094 -0.022 0.694 0.909 0.727 CB 1.648 12 residues pruned to eliminate duplicates Z: 35 73.497 2.428 1.207 0.794 0.971 0.824 CB 1.872 35 residues pruned to eliminate duplicates Z: 11 19.796 2.036 0.838 0.851 0.800 0.700 CB 1.548 11 residues pruned to eliminate duplicates Z: 7 5.659 1.740 0.050 0.754 1.000 0.667 CA 1.008 7 residues pruned to eliminate duplicates Z: 11 21.833 2.066 0.700 0.805 0.900 0.600 C 1.673 11 residues pruned to eliminate duplicates Z: 14 31.021 2.123 0.746 0.950 1.000 0.846 CB 1.601 14 residues pruned to eliminate duplicates Z: 100 81.937 2.381 0.755 0.681 0.949 0.747 CB 1.758 100 residues pruned to eliminate duplicates Z: 74 74.248 2.418 0.651 0.719 0.986 0.740 CB 1.810 74 residues pruned to eliminate duplicates Z: 14 18.079 2.300 0.181 0.612 0.923 0.538 CB 1.799 14 residues pruned to eliminate duplicates Z: 9 13.144 2.150 0.566 0.766 0.875 0.750 CB 1.246 9 residues pruned to eliminate duplicates Z: 16 36.611 2.415 0.463 0.912 1.000 0.933 CB 1.894 16 residues pruned to eliminate duplicates Z: 11 16.967 2.045 0.520 0.837 0.900 0.600 C 1.434 11 residues pruned to eliminate duplicates Z: 13 29.380 2.331 0.394 0.918 1.000 1.000 CB 1.841 13 residues pruned to eliminate duplicates Z: 7 11.467 2.060 0.527 0.863 0.833 0.500 CB 1.311 7 residues pruned to eliminate duplicates Z: 120 102.078 2.442 0.801 0.732 0.958 0.756 CB 1.803 120 residues pruned to eliminate duplicates Z: 27 38.200 2.297 0.766 0.656 0.923 0.769 CB 1.731 27 residues pruned to eliminate duplicates Z: 17 28.742 2.237 0.678 0.902 0.938 0.938 CB 1.457 17 residues pruned to eliminate duplicates Z: 17 44.647 2.437 0.951 0.900 0.938 0.875 CB 1.788 17 residues pruned to eliminate duplicates Z: 14 22.266 2.348 0.386 0.562 0.923 0.385 C 1.937 14 residues pruned to eliminate duplicates Z: 7 6.795 1.892 0.596 0.249 1.000 0.500 CB 1.226 7 residues pruned to eliminate duplicates Z: 16 45.062 2.459 0.768 0.931 1.000 0.933 CA 1.870 16 residues pruned to eliminate duplicates Z: 35 49.177 2.345 0.691 0.737 0.912 0.853 CB 1.886 35 residues pruned to eliminate duplicates Z: 17 49.044 2.484 0.898 0.938 1.000 0.938 CB 1.809 17 residues pruned to eliminate duplicates Z: 14 25.558 2.321 0.286 0.879 1.000 0.923 CB 1.722 14 residues pruned to eliminate duplicates Z: 123 109.760 2.398 0.911 0.716 0.967 0.680 CB 1.843 123 residues pruned to eliminate duplicates Z: 17 43.402 2.313 0.845 0.925 1.000 0.875 CA 1.784 17 residues pruned to eliminate duplicates Z: 137 90.121 2.387 0.596 0.689 0.956 0.691 CB 1.785 137 residues pruned to eliminate duplicates Z: 27 56.686 2.441 1.000 0.921 0.923 0.885 CB 1.735 27 residues pruned to eliminate duplicates Z: 13 22.754 2.119 0.573 0.863 1.000 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 40 37.173 2.182 0.628 0.598 0.923 0.641 CB 1.654 40 residues pruned to eliminate duplicates Z: 11 8.024 1.880 0.081 0.524 0.900 0.700 C 1.355 11 residues pruned to eliminate duplicates Z: 125 109.501 2.452 0.846 0.748 0.960 0.790 CB 1.814 125 residues pruned to eliminate duplicates Z: 11 16.657 1.973 0.346 0.901 0.900 0.900 CA 1.573 11 residues pruned to eliminate duplicates Z: 110 87.284 2.412 0.730 0.712 0.945 0.734 CB 1.749 110 residues pruned to eliminate duplicates Z: 12 22.067 2.004 0.642 0.857 0.909 0.727 CB 1.639 12 residues pruned to eliminate duplicates Z: 8 11.591 1.903 0.449 0.887 0.857 0.571 C 1.336 8 residues pruned to eliminate duplicates Z: 16 42.606 2.487 0.704 0.922 0.933 0.933 CA 1.956 16 residues pruned to eliminate duplicates Z: 18 50.542 2.383 0.973 0.900 1.000 0.882 CB 1.862 18 residues pruned to eliminate duplicates Z: 14 31.838 2.397 0.397 0.938 1.000 1.000 CB 1.834 14 residues pruned to eliminate duplicates Z: 26 43.521 2.330 0.755 0.718 0.920 0.720 CB 1.899 26 residues pruned to eliminate duplicates Z: 18 51.639 2.385 1.067 0.925 1.000 0.882 CB 1.783 18 residues pruned to eliminate duplicates Z: 8 8.790 1.879 0.209 0.843 0.857 0.857 CB 1.270 8 residues pruned to eliminate duplicates Z: 11 12.031 1.763 0.514 0.720 0.900 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 21 33.486 2.048 1.061 0.724 0.950 0.550 CB 1.526 21 residues pruned to eliminate duplicates Z: 18 28.149 2.205 0.575 0.891 0.941 0.941 CB 1.503 18 residues pruned to eliminate duplicates Z: 6 14.415 2.364 0.388 0.678 1.000 1.000 CB 1.668 6 residues pruned to eliminate duplicates Z: 18 44.816 2.331 0.776 0.912 1.000 0.882 CA 1.859 18 residues pruned to eliminate duplicates Z: 20 39.268 2.373 0.849 0.624 0.947 0.684 CB 1.929 20 residues pruned to eliminate duplicates Z: 17 36.691 2.305 0.622 0.892 1.000 0.750 CB 1.762 17 residues pruned to eliminate duplicates Z: 6 7.245 1.952 -0.079 0.809 1.000 0.600 CA 1.378 6 residues pruned to eliminate duplicates Z: 29 38.140 2.222 0.690 0.673 0.929 0.821 CB 1.763 29 residues pruned to eliminate duplicates Z: 20 38.699 2.347 0.646 0.832 1.000 0.737 CB 1.726 20 residues pruned to eliminate duplicates Z: 12 16.275 2.037 0.266 0.662 1.000 0.818 CB 1.637 12 residues pruned to eliminate duplicates Z: 21 27.967 2.328 0.193 0.712 1.000 0.900 C 1.857 21 residues pruned to eliminate duplicates Z: 13 22.448 2.133 0.302 0.926 1.000 1.000 CB 1.637 13 residues pruned to eliminate duplicates Z: 8 15.176 1.831 0.427 0.837 1.000 0.571 CA 1.642 8 residues pruned to eliminate duplicates Z: 6 14.256 2.028 0.682 0.754 1.000 1.000 CA 1.490 6 residues pruned to eliminate duplicates Z: 27 61.169 2.414 1.053 0.939 0.962 0.885 CB 1.750 27 residues pruned to eliminate duplicates Z: 32 52.069 2.416 0.958 0.693 0.935 0.806 CB 1.772 32 residues pruned to eliminate duplicates Z: 34 24.327 2.110 0.291 0.640 0.879 0.515 CB 1.552 34 residues pruned to eliminate duplicates Z: 6 12.271 2.128 0.355 0.771 1.000 0.600 CA 1.497 6 residues pruned to eliminate duplicates Z: 30 40.907 2.286 0.669 0.670 1.000 0.655 CB 1.702 30 residues pruned to eliminate duplicates Z: 12 40.006 2.482 0.955 0.845 1.000 0.909 CA 1.849 12 residues pruned to eliminate duplicates Z: 16 37.972 2.379 0.675 0.886 1.000 0.667 CB 1.775 16 residues pruned to eliminate duplicates Z: 22 33.637 2.284 0.729 0.546 0.952 0.571 CA 1.865 22 residues pruned to eliminate duplicates Z: 81 80.865 2.394 0.762 0.718 0.975 0.762 CB 1.806 81 residues pruned to eliminate duplicates Z: 78 66.515 2.283 0.714 0.666 0.948 0.584 CB 1.753 78 residues pruned to eliminate duplicates Z: 14 37.617 2.418 0.889 0.778 1.000 0.769 CA 1.787 14 residues pruned to eliminate duplicates Z: 19 33.091 2.346 0.678 0.893 0.944 0.667 CB 1.507 19 residues pruned to eliminate duplicates Z: 7 7.902 1.726 0.323 0.736 0.833 0.833 CB 1.371 Z: 17 34.726 2.346 0.605 0.885 1.000 1.000 CB 1.665 17 residues pruned to eliminate duplicates Z: 32 58.480 2.442 0.750 0.744 1.000 0.839 CB 1.976 32 residues pruned to eliminate duplicates Z: 36 51.939 2.409 0.749 0.732 0.971 0.829 CB 1.742 36 residues pruned to eliminate duplicates Z: 8 13.115 2.230 0.265 0.478 1.000 0.571 CB 1.797 8 residues pruned to eliminate duplicates Z: 99 87.441 2.411 0.733 0.685 0.980 0.694 CB 1.822 99 residues pruned to eliminate duplicates Z: 153 114.628 2.408 0.815 0.739 0.947 0.717 CB 1.813 337 residues pruned to eliminate duplicates Z: 58 64.527 2.370 0.718 0.706 0.982 0.684 CB 1.772 Z: 40 53.676 2.312 0.723 0.685 0.974 0.667 CB 1.868 40 residues pruned to eliminate duplicates Z: 16 20.716 2.131 0.769 0.464 1.000 0.533 CB 1.473 Z: 33 32.209 2.214 0.614 0.603 0.938 0.688 CB 1.540 33 residues pruned to eliminate duplicates Z: 72 63.496 2.351 0.696 0.618 0.944 0.648 CB 1.791 72 residues pruned to eliminate duplicates Z: 17 29.232 2.220 0.582 0.686 1.000 0.750 CB 1.755 17 residues pruned to eliminate duplicates Z: 118 93.091 2.402 0.715 0.722 0.974 0.744 CB 1.755 118 residues pruned to eliminate duplicates Z: 110 95.419 2.434 0.765 0.685 0.954 0.743 CB 1.882 52 residues pruned to eliminate duplicates Z: 18 43.260 2.375 0.944 0.906 1.000 0.706 CB 1.617 18 residues pruned to eliminate duplicates Z: 60 63.460 2.405 0.725 0.654 0.949 0.661 CB 1.817 67 residues pruned to eliminate duplicates Z: 14 17.968 2.210 0.478 0.366 1.000 0.692 CB 1.761 14 residues pruned to eliminate duplicates Z: 74 79.455 2.361 0.969 0.709 0.945 0.616 CB 1.750 49 residues pruned to eliminate duplicates Z: 8 13.034 2.054 -0.003 0.857 1.000 1.000 CA 1.772 8 residues pruned to eliminate duplicates Z: 6 2.219 1.374 0.458 0.534 0.600 0.400 CB 0.799 Z: 18 38.236 2.360 0.498 0.929 1.000 0.882 CB 1.836 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 43 35.203 2.190 0.501 0.584 0.952 0.595 CB 1.601 31 residues pruned to eliminate duplicates Z: 6 9.637 1.915 0.908 0.381 1.000 0.400 CA 1.339 7 residues pruned to eliminate duplicates Z: 6 10.907 2.030 0.943 0.402 1.000 0.400 CA 1.371 7 residues pruned to eliminate duplicates Z: 6 13.186 2.200 0.472 0.620 1.000 0.600 CB 1.626 6 residues pruned to eliminate duplicates Z: 44 34.106 2.203 0.422 0.586 0.953 0.605 CB 1.603 44 residues pruned to eliminate duplicates Z: 28 28.490 2.175 0.442 0.644 1.000 0.630 CB 1.528 28 residues pruned to eliminate duplicates Z: 54 41.353 2.187 0.494 0.606 0.981 0.660 CB 1.602 54 residues pruned to eliminate duplicates Z: 43 35.416 2.234 0.441 0.618 0.929 0.619 CB 1.636 43 residues pruned to eliminate duplicates Z: 56 44.379 2.186 0.635 0.604 0.909 0.527 CB 1.668 54 residues pruned to eliminate duplicates Z: 19 18.431 1.932 0.200 0.831 1.000 0.833 CB 1.407 19 residues pruned to eliminate duplicates Z: 30 27.935 2.122 0.468 0.622 0.966 0.655 CB 1.537 30 residues pruned to eliminate duplicates Z: 57 46.353 2.242 0.520 0.642 0.946 0.696 CB 1.681 57 residues pruned to eliminate duplicates Z: 59 48.202 2.255 0.537 0.666 0.931 0.603 CB 1.682 59 residues pruned to eliminate duplicates Z: 58 51.944 2.286 0.600 0.665 0.947 0.649 CB 1.703 58 residues pruned to eliminate duplicates Z: 42 37.441 2.216 0.547 0.607 0.927 0.561 CB 1.662 42 residues pruned to eliminate duplicates Z: 56 46.509 2.212 0.618 0.635 0.891 0.582 CB 1.733 56 residues pruned to eliminate duplicates Z: 43 36.267 2.232 0.493 0.614 0.929 0.524 CB 1.623 43 residues pruned to eliminate duplicates Z: 30 29.418 2.145 0.550 0.641 0.966 0.655 CB 1.492 30 residues pruned to eliminate duplicates Z: 38 32.641 2.147 0.533 0.605 0.973 0.649 CB 1.516 38 residues pruned to eliminate duplicates Z: 42 38.313 2.243 0.468 0.613 0.976 0.585 CB 1.673 42 residues pruned to eliminate duplicates Z: 47 34.363 2.190 0.482 0.546 0.913 0.565 CB 1.635 47 residues pruned to eliminate duplicates Z: 29 33.637 2.166 0.621 0.642 1.000 0.679 CB 1.585 29 residues pruned to eliminate duplicates Z: 43 35.831 2.188 0.502 0.599 0.952 0.571 CB 1.607 43 residues pruned to eliminate duplicates Z: 55 45.802 2.206 0.600 0.619 0.926 0.574 CB 1.705 55 residues pruned to eliminate duplicates Z: 47 33.736 2.148 0.459 0.569 0.935 0.522 CB 1.588 47 residues pruned to eliminate duplicates Z: 58 50.836 2.270 0.628 0.665 0.912 0.561 CB 1.714 58 residues pruned to eliminate duplicates Z: 14 19.507 2.325 0.205 0.570 1.000 0.538 C 1.805 14 residues pruned to eliminate duplicates Z: 14 22.560 2.408 0.385 0.571 0.923 0.154 C 1.898 14 residues pruned to eliminate duplicates Z: 42 40.363 2.248 0.570 0.608 0.951 0.561 CB 1.694 42 residues pruned to eliminate duplicates Z: 31 40.112 2.292 0.617 0.618 0.933 0.667 CA 1.895 31 residues pruned to eliminate duplicates Z: 13 23.540 2.413 0.335 0.586 1.000 0.333 C 1.943 13 residues pruned to eliminate duplicates Z: 58 51.969 2.263 0.552 0.695 0.930 0.561 CB 1.765 58 residues pruned to eliminate duplicates Z: 29 44.576 2.390 0.485 0.725 0.964 0.643 CB 2.009 29 residues pruned to eliminate duplicates Z: 32 40.464 2.340 0.643 0.657 0.871 0.645 CB 1.876 32 residues pruned to eliminate duplicates Z: 43 38.887 2.232 0.551 0.593 0.952 0.571 CB 1.665 43 residues pruned to eliminate duplicates Z: 57 57.681 2.293 0.753 0.663 0.946 0.643 CB 1.742 57 residues pruned to eliminate duplicates Z: 58 56.383 2.271 0.704 0.662 0.965 0.614 CB 1.722 58 residues pruned to eliminate duplicates Z: 59 59.172 2.279 0.691 0.680 0.966 0.638 CB 1.769 59 residues pruned to eliminate duplicates Z: 16 48.706 2.428 0.879 0.908 1.000 0.867 CA 1.958 16 residues pruned to eliminate duplicates Z: 18 40.667 2.374 0.796 0.834 0.941 0.824 CA 1.842 18 residues pruned to eliminate duplicates Z: 16 45.917 2.453 0.808 0.880 1.000 0.933 CA 1.937 16 residues pruned to eliminate duplicates Z: 17 42.973 2.305 0.954 0.826 0.938 0.875 C 1.918 17 residues pruned to eliminate duplicates Z: 57 57.992 2.300 0.699 0.665 0.964 0.696 CB 1.765 57 residues pruned to eliminate duplicates Z: 18 40.399 2.311 0.931 0.829 0.941 0.882 C 1.755 18 residues pruned to eliminate duplicates Z: 25 33.182 2.181 0.735 0.679 0.875 0.708 CB 1.735 25 residues pruned to eliminate duplicates Z: 58 55.899 2.299 0.627 0.667 0.965 0.667 CB 1.757 58 residues pruned to eliminate duplicates Z: 21 44.919 2.409 0.939 0.706 0.900 0.650 C 1.982 21 residues pruned to eliminate duplicates Z: 19 38.981 2.309 0.803 0.774 0.944 0.889 CA 1.834 19 residues pruned to eliminate duplicates Z: 30 46.286 2.352 0.653 0.702 0.966 0.759 CB 1.906 30 residues pruned to eliminate duplicates Z: 146 113.025 2.447 0.727 0.733 0.952 0.759 CB 1.892 134 residues pruned to eliminate duplicates Z: 17 46.354 2.409 0.897 0.896 1.000 0.875 CB 1.817 17 residues pruned to eliminate duplicates Z: 180 109.738 2.360 0.689 0.687 0.972 0.715 CB 1.783 176 residues pruned to eliminate duplicates Z: 7 8.845 1.691 0.798 0.499 1.000 0.333 C 1.189 7 residues pruned to eliminate duplicates Z: 144 116.800 2.451 0.755 0.743 0.972 0.713 CB 1.878 146 residues pruned to eliminate duplicates Z: 20 40.271 2.449 0.541 0.821 1.000 0.947 CB 1.853 20 residues pruned to eliminate duplicates Z: 59 62.217 2.333 0.804 0.673 0.931 0.621 CB 1.778 59 residues pruned to eliminate duplicates Z: 147 110.533 2.431 0.674 0.740 0.966 0.747 CB 1.877 147 residues pruned to eliminate duplicates Z: 67 78.234 2.412 0.714 0.758 0.985 0.742 CB 1.880 67 residues pruned to eliminate duplicates Z: 68 75.921 2.386 0.804 0.753 0.970 0.761 CB 1.772 68 residues pruned to eliminate duplicates Z: 129 102.040 2.431 0.724 0.723 0.945 0.727 CB 1.862 129 residues pruned to eliminate duplicates Z: 65 80.649 2.443 0.742 0.767 0.984 0.766 CB 1.898 65 residues pruned to eliminate duplicates Z: 180 116.569 2.395 0.715 0.705 0.972 0.670 CB 1.811 180 residues pruned to eliminate duplicates Z: 18 44.760 2.430 0.802 0.924 1.000 0.941 CB 1.740 18 residues pruned to eliminate duplicates Z: 140 116.148 2.454 0.774 0.749 0.957 0.755 CB 1.893 140 residues pruned to eliminate duplicates Z: 107 92.698 2.386 0.755 0.723 0.962 0.745 CB 1.827 107 residues pruned to eliminate duplicates Z: 156 115.817 2.426 0.704 0.715 0.974 0.710 CB 1.902 156 residues pruned to eliminate duplicates Z: 57 69.461 2.400 0.826 0.710 0.964 0.696 CB 1.816 57 residues pruned to eliminate duplicates Z: 135 106.375 2.444 0.725 0.743 0.970 0.769 CB 1.807 135 residues pruned to eliminate duplicates Z: 85 77.866 2.405 0.666 0.706 0.952 0.655 CB 1.846 85 residues pruned to eliminate duplicates Z: 103 81.469 2.348 0.715 0.660 0.961 0.667 CB 1.798 103 residues pruned to eliminate duplicates Z: 143 113.499 2.451 0.706 0.753 0.965 0.782 CB 1.884 143 residues pruned to eliminate duplicates Z: 109 96.083 2.414 0.689 0.731 0.991 0.713 CB 1.859 109 residues pruned to eliminate duplicates Z: 66 83.280 2.430 0.820 0.779 0.969 0.723 CB 1.884 66 residues pruned to eliminate duplicates Z: 54 66.538 2.368 0.880 0.692 0.962 0.679 CB 1.791 54 residues pruned to eliminate duplicates Z: 121 101.136 2.425 0.765 0.726 0.958 0.692 CB 1.836 121 residues pruned to eliminate duplicates Z: 127 106.654 2.450 0.716 0.736 0.976 0.802 CB 1.873 127 residues pruned to eliminate duplicates Z: 119 103.590 2.415 0.781 0.711 0.975 0.695 CB 1.879 119 residues pruned to eliminate duplicates Z: 67 74.563 2.378 0.757 0.743 0.970 0.697 CB 1.823 67 residues pruned to eliminate duplicates Z: 131 103.484 2.418 0.744 0.705 0.969 0.692 CB 1.843 128 residues pruned to eliminate duplicates Z: 16 39.641 2.435 0.571 0.916 1.000 0.800 CB 1.889 16 residues pruned to eliminate duplicates Z: 145 114.025 2.432 0.744 0.731 0.972 0.715 CB 1.873 148 residues pruned to eliminate duplicates Z: 28 47.791 2.344 0.658 0.802 1.000 0.815 CB 1.818 28 residues pruned to eliminate duplicates Z: 88 88.741 2.419 0.716 0.743 0.989 0.713 CB 1.866 88 residues pruned to eliminate duplicates Z: 61 55.075 2.338 0.633 0.648 0.933 0.700 CB 1.738 61 residues pruned to eliminate duplicates Z: 58 62.584 2.360 0.733 0.689 0.947 0.667 CB 1.798 58 residues pruned to eliminate duplicates Z: 11 29.021 2.318 0.651 0.807 1.000 0.600 CB 1.835 11 residues pruned to eliminate duplicates Z: 90 81.887 2.407 0.658 0.733 0.955 0.742 CB 1.847 90 residues pruned to eliminate duplicates Z: 73 74.426 2.377 0.717 0.736 0.958 0.847 CB 1.815 73 residues pruned to eliminate duplicates Z: 156 113.376 2.414 0.707 0.721 0.968 0.748 CB 1.870 156 residues pruned to eliminate duplicates Z: 43 55.226 2.318 0.809 0.700 1.000 0.714 CB 1.694 43 residues pruned to eliminate duplicates Z: 94 88.511 2.439 0.693 0.737 0.968 0.742 CB 1.856 94 residues pruned to eliminate duplicates Z: 94 75.810 2.351 0.626 0.713 0.925 0.720 CB 1.833 88 residues pruned to eliminate duplicates Z: 16 32.004 2.237 0.771 0.750 1.000 0.533 CB 1.669 16 residues pruned to eliminate duplicates Z: 92 73.118 2.364 0.584 0.701 0.923 0.714 CB 1.846 92 residues pruned to eliminate duplicates Z: 96 79.030 2.367 0.615 0.714 0.947 0.716 CB 1.845 96 residues pruned to eliminate duplicates Z: 81 82.241 2.395 0.865 0.675 0.963 0.700 CB 1.821 81 residues pruned to eliminate duplicates Z: 95 86.408 2.416 0.691 0.730 0.957 0.766 CB 1.854 95 residues pruned to eliminate duplicates Z: 87 86.337 2.445 0.669 0.742 0.977 0.756 CB 1.881 87 residues pruned to eliminate duplicates Z: 95 88.267 2.418 0.693 0.735 0.979 0.723 CB 1.841 95 residues pruned to eliminate duplicates Z: 57 65.979 2.379 0.739 0.707 0.982 0.714 CB 1.798 57 residues pruned to eliminate duplicates Z: 128 104.628 2.450 0.680 0.735 0.976 0.717 CB 1.870 133 residues pruned to eliminate duplicates Z: 18 44.973 2.420 0.740 0.923 0.941 0.941 CB 1.934 18 residues pruned to eliminate duplicates Z: 90 87.364 2.402 0.729 0.733 0.978 0.708 CB 1.850 90 residues pruned to eliminate duplicates Z: 51 61.255 2.368 0.720 0.703 0.960 0.640 CB 1.841 51 residues pruned to eliminate duplicates Z: 75 75.544 2.397 0.644 0.722 0.973 0.730 CB 1.874 75 residues pruned to eliminate duplicates Z: 140 107.461 2.426 0.723 0.739 0.942 0.719 CB 1.868 140 residues pruned to eliminate duplicates Z: 154 116.232 2.437 0.712 0.729 0.974 0.706 CB 1.882 154 residues pruned to eliminate duplicates Z: 96 79.429 2.363 0.660 0.715 0.937 0.768 CB 1.825 70 residues pruned to eliminate duplicates Z: 18 50.702 2.373 0.895 0.938 1.000 0.824 CB 1.901 18 residues pruned to eliminate duplicates Z: 97 79.191 2.375 0.636 0.698 0.958 0.729 CB 1.811 86 residues pruned to eliminate duplicates Z: 17 47.746 2.419 0.786 0.916 1.000 0.875 CB 1.952 17 residues pruned to eliminate duplicates Z: 128 110.224 2.449 0.778 0.724 0.976 0.795 CB 1.880 128 residues pruned to eliminate duplicates Z: 92 82.230 2.396 0.764 0.686 0.956 0.670 CB 1.800 92 residues pruned to eliminate duplicates Z: 86 73.811 2.388 0.597 0.704 0.941 0.706 CB 1.853 86 residues pruned to eliminate duplicates Z: 94 87.788 2.430 0.681 0.736 0.968 0.763 CB 1.862 36 residues pruned to eliminate duplicates Z: 23 45.550 2.418 0.671 0.835 0.955 0.818 CB 1.887 23 residues pruned to eliminate duplicates Z: 80 78.565 2.437 0.704 0.733 0.949 0.747 CB 1.818 80 residues pruned to eliminate duplicates Z: 89 81.732 2.414 0.666 0.721 0.955 0.727 CB 1.859 89 residues pruned to eliminate duplicates Z: 73 75.880 2.436 0.602 0.752 0.958 0.778 CB 1.910 73 residues pruned to eliminate duplicates Z: 146 109.076 2.425 0.705 0.745 0.966 0.779 CB 1.823 146 residues pruned to eliminate duplicates Z: 73 77.240 2.440 0.595 0.754 0.972 0.764 CB 1.919 73 residues pruned to eliminate duplicates Z: 80 78.327 2.422 0.660 0.725 0.949 0.747 CB 1.885 80 residues pruned to eliminate duplicates Z: 101 97.433 2.436 0.777 0.741 0.970 0.760 CB 1.870 101 residues pruned to eliminate duplicates Z: 95 90.795 2.422 0.727 0.729 0.979 0.777 CB 1.862 95 residues pruned to eliminate duplicates Z: 94 82.068 2.425 0.553 0.737 0.978 0.753 CB 1.867 94 residues pruned to eliminate duplicates Z: 91 80.620 2.394 0.700 0.714 0.933 0.733 CB 1.842 91 residues pruned to eliminate duplicates Z: 155 115.094 2.436 0.711 0.725 0.974 0.708 CB 1.865 155 residues pruned to eliminate duplicates Z: 51 62.494 2.388 0.694 0.715 0.980 0.720 CB 1.835 51 residues pruned to eliminate duplicates Z: 57 65.152 2.372 0.737 0.702 0.982 0.696 CB 1.790 57 residues pruned to eliminate duplicates Z: 84 82.899 2.440 0.695 0.739 0.964 0.723 CB 1.843 84 residues pruned to eliminate duplicates Z: 93 78.707 2.386 0.624 0.712 0.946 0.783 CB 1.848 93 residues pruned to eliminate duplicates Z: 94 79.303 2.379 0.665 0.723 0.946 0.742 CB 1.794 94 residues pruned to eliminate duplicates Z: 85 86.804 2.439 0.775 0.742 0.964 0.738 CB 1.826 85 residues pruned to eliminate duplicates Z: 55 62.118 2.377 0.621 0.724 0.944 0.722 CB 1.898 55 residues pruned to eliminate duplicates Z: 88 84.496 2.427 0.710 0.739 0.943 0.736 CB 1.869 88 residues pruned to eliminate duplicates Z: 95 87.540 2.424 0.639 0.743 0.989 0.766 CB 1.849 95 residues pruned to eliminate duplicates Z: 94 91.543 2.431 0.739 0.737 0.989 0.720 CB 1.836 94 residues pruned to eliminate duplicates Z: 96 68.847 2.330 0.587 0.677 0.916 0.768 CB 1.772 96 residues pruned to eliminate duplicates Z: 87 78.005 2.399 0.729 0.717 0.919 0.674 CB 1.814 86 residues pruned to eliminate duplicates Z: 19 45.707 2.437 0.800 0.922 0.944 0.889 CB 1.828 19 residues pruned to eliminate duplicates Z: 157 117.400 2.416 0.769 0.718 0.968 0.795 CB 1.864 157 residues pruned to eliminate duplicates Z: 98 81.624 2.361 0.730 0.701 0.948 0.680 CB 1.782 98 residues pruned to eliminate duplicates Z: 89 85.953 2.419 0.690 0.726 0.977 0.727 CB 1.871 89 residues pruned to eliminate duplicates Z: 95 77.942 2.364 0.662 0.702 0.947 0.702 CB 1.798 95 residues pruned to eliminate duplicates Z: 95 73.439 2.365 0.617 0.686 0.936 0.681 CB 1.784 95 residues pruned to eliminate duplicates Z: 96 87.367 2.385 0.765 0.712 0.958 0.705 CB 1.834 96 residues pruned to eliminate duplicates Z: 95 89.381 2.396 0.780 0.733 0.957 0.702 CB 1.830 95 residues pruned to eliminate duplicates Z: 39 71.473 2.466 0.881 0.806 1.000 0.763 CB 1.913 39 residues pruned to eliminate duplicates Z: 128 108.873 2.434 0.793 0.731 0.969 0.772 CB 1.856 128 residues pruned to eliminate duplicates Z: 74 82.992 2.436 0.784 0.752 0.959 0.767 CB 1.862 74 residues pruned to eliminate duplicates Z: 38 72.604 2.475 0.899 0.809 1.000 0.865 CB 1.941 38 residues pruned to eliminate duplicates Z: 124 116.694 2.455 0.863 0.746 0.992 0.780 CB 1.861 124 residues pruned to eliminate duplicates Z: 40 65.879 2.424 0.840 0.777 0.974 0.744 CB 1.901 40 residues pruned to eliminate duplicates Z: 28 73.117 2.445 1.317 0.895 1.000 0.889 CB 1.781 28 residues pruned to eliminate duplicates Z: 65 68.367 2.310 0.823 0.669 0.953 0.656 CB 1.820 40 residues pruned to eliminate duplicates Z: 27 66.485 2.501 1.130 0.899 0.962 0.808 CB 1.820 27 residues pruned to eliminate duplicates Z: 184 119.235 2.392 0.740 0.712 0.967 0.689 CB 1.807 184 residues pruned to eliminate duplicates Z: 37 72.448 2.501 0.923 0.797 1.000 0.750 CB 1.936 37 residues pruned to eliminate duplicates Z: 94 96.610 2.435 0.837 0.733 0.989 0.720 CB 1.835 94 residues pruned to eliminate duplicates Z: 11 14.081 2.173 0.085 0.730 0.900 0.600 C 1.705 11 residues pruned to eliminate duplicates Z: 97 76.050 2.395 0.557 0.709 0.938 0.771 CB 1.836 97 residues pruned to eliminate duplicates Z: 182 120.205 2.380 0.789 0.706 0.967 0.646 CB 1.800 182 residues pruned to eliminate duplicates Z: 88 89.941 2.415 0.796 0.746 0.966 0.713 CB 1.848 88 residues pruned to eliminate duplicates Z: 88 91.428 2.434 0.791 0.741 0.966 0.793 CB 1.877 88 residues pruned to eliminate duplicates Z: 94 91.483 2.427 0.744 0.736 0.989 0.688 CB 1.833 94 residues pruned to eliminate duplicates Z: 128 115.393 2.434 0.893 0.725 0.976 0.717 CB 1.858 128 residues pruned to eliminate duplicates Z: 88 76.635 2.336 0.774 0.698 0.908 0.678 CB 1.822 88 residues pruned to eliminate duplicates Z: 99 91.128 2.335 0.927 0.694 0.949 0.633 CB 1.806 99 residues pruned to eliminate duplicates Z: 88 83.950 2.364 0.755 0.726 0.954 0.736 CB 1.855 88 residues pruned to eliminate duplicates Z: 21 25.019 2.061 0.834 0.624 0.850 0.600 CB 1.550 21 residues pruned to eliminate duplicates Z: 95 86.016 2.356 0.765 0.726 0.957 0.723 CB 1.818 100 residues pruned to eliminate duplicates Z: 16 38.410 2.431 0.492 0.914 1.000 0.933 CB 1.934 16 residues pruned to eliminate duplicates Z: 144 113.684 2.453 0.766 0.754 0.958 0.825 CB 1.827 144 residues pruned to eliminate duplicates Z: 183 120.268 2.424 0.781 0.703 0.945 0.681 CB 1.817 183 residues pruned to eliminate duplicates Z: 41 65.194 2.342 0.971 0.763 0.950 0.775 CB 1.861 41 residues pruned to eliminate duplicates Z: 144 115.733 2.427 0.858 0.739 0.965 0.734 CB 1.794 144 residues pruned to eliminate duplicates Z: 75 86.313 2.448 0.893 0.740 0.959 0.770 CB 1.820 75 residues pruned to eliminate duplicates Z: 143 117.004 2.450 0.835 0.740 0.972 0.817 CB 1.812 143 residues pruned to eliminate duplicates Z: 129 107.347 2.420 0.839 0.728 0.961 0.734 CB 1.808 129 residues pruned to eliminate duplicates Z: 97 87.185 2.373 0.773 0.711 0.958 0.729 CB 1.823 63 residues pruned to eliminate duplicates Z: 17 11.672 1.804 0.256 0.668 0.812 0.688 CB 1.358 17 residues pruned to eliminate duplicates Z: 95 84.004 2.422 0.643 0.735 0.979 0.798 CB 1.802 58 residues pruned to eliminate duplicates Z: 12 17.278 2.030 0.313 0.893 1.000 0.909 CB 1.403 12 residues pruned to eliminate duplicates Z: 147 102.041 2.410 0.695 0.676 0.979 0.685 CB 1.794 147 residues pruned to eliminate duplicates Z: 16 30.809 2.314 0.446 0.886 1.000 0.867 CB 1.715 16 residues pruned to eliminate duplicates Z: 183 119.673 2.443 0.717 0.709 0.967 0.736 CB 1.808 183 residues pruned to eliminate duplicates Z: 96 79.306 2.374 0.670 0.710 0.947 0.747 CB 1.791 96 residues pruned to eliminate duplicates Z: 96 78.415 2.400 0.590 0.714 0.947 0.716 CB 1.834 96 residues pruned to eliminate duplicates Z: 144 103.213 2.446 0.662 0.746 0.965 0.783 CB 1.766 144 residues pruned to eliminate duplicates Z: 72 67.498 2.392 0.648 0.725 0.958 0.803 CB 1.732 72 residues pruned to eliminate duplicates Z: 143 106.268 2.456 0.695 0.752 0.937 0.824 CB 1.826 143 residues pruned to eliminate duplicates Z: 107 88.834 2.415 0.689 0.718 0.972 0.764 CB 1.786 107 residues pruned to eliminate duplicates Z: 113 84.867 2.397 0.738 0.659 0.938 0.670 CB 1.771 113 residues pruned to eliminate duplicates Z: 54 60.210 2.329 0.896 0.681 0.943 0.717 CB 1.680 54 residues pruned to eliminate duplicates Z: 14 19.000 2.133 0.597 0.617 0.923 0.308 C 1.500 14 residues pruned to eliminate duplicates Z: 88 84.943 2.436 0.657 0.729 0.977 0.724 CB 1.878 88 residues pruned to eliminate duplicates Z: 111 85.505 2.391 0.726 0.672 0.945 0.736 CB 1.782 111 residues pruned to eliminate duplicates Z: 143 109.349 2.459 0.648 0.744 0.986 0.754 CB 1.847 143 residues pruned to eliminate duplicates Z: 73 69.758 2.383 0.726 0.719 0.958 0.694 CB 1.711 73 residues pruned to eliminate duplicates Z: 147 99.295 2.413 0.659 0.694 0.952 0.719 CB 1.804 147 residues pruned to eliminate duplicates Z: 98 83.172 2.378 0.653 0.733 0.969 0.753 CB 1.799 98 residues pruned to eliminate duplicates Z: 69 63.432 2.390 0.599 0.694 0.956 0.721 CB 1.763 69 residues pruned to eliminate duplicates Z: 98 76.073 2.351 0.625 0.716 0.948 0.753 CB 1.754 98 residues pruned to eliminate duplicates Z: 184 117.191 2.401 0.735 0.699 0.962 0.721 CB 1.803 184 residues pruned to eliminate duplicates Z: 183 119.267 2.430 0.735 0.707 0.956 0.736 CB 1.817 183 residues pruned to eliminate duplicates Z: 168 110.410 2.434 0.666 0.690 0.970 0.719 CB 1.826 168 residues pruned to eliminate duplicates Z: 182 107.249 2.375 0.680 0.701 0.939 0.746 CB 1.772 182 residues pruned to eliminate duplicates Z: 144 109.868 2.434 0.746 0.743 0.965 0.748 CB 1.803 144 residues pruned to eliminate duplicates Z: 149 102.079 2.414 0.716 0.688 0.966 0.703 CB 1.765 149 residues pruned to eliminate duplicates Z: 53 55.050 2.375 0.627 0.662 0.923 0.673 CB 1.842 53 residues pruned to eliminate duplicates Z: 144 109.214 2.450 0.717 0.735 0.972 0.804 CB 1.809 144 residues pruned to eliminate duplicates Z: 144 104.367 2.440 0.707 0.727 0.951 0.762 CB 1.796 144 residues pruned to eliminate duplicates Z: 73 82.573 2.481 0.668 0.758 0.986 0.806 CB 1.895 73 residues pruned to eliminate duplicates Z: 145 112.366 2.433 0.777 0.733 0.972 0.771 CB 1.806 146 residues pruned to eliminate duplicates Z: 18 42.992 2.286 0.852 0.935 1.000 0.882 CA 1.715 18 residues pruned to eliminate duplicates Z: 130 97.918 2.437 0.684 0.733 0.953 0.791 CB 1.787 130 residues pruned to eliminate duplicates Z: 97 77.288 2.370 0.683 0.696 0.927 0.698 CB 1.784 97 residues pruned to eliminate duplicates Z: 143 111.337 2.444 0.758 0.743 0.972 0.775 CB 1.802 143 residues pruned to eliminate duplicates Z: 145 112.713 2.438 0.735 0.738 0.979 0.771 CB 1.832 145 residues pruned to eliminate duplicates Z: 107 93.757 2.415 0.797 0.717 0.962 0.783 CB 1.792 107 residues pruned to eliminate duplicates Z: 95 83.548 2.418 0.689 0.716 0.957 0.723 CB 1.813 95 residues pruned to eliminate duplicates Z: 96 81.017 2.394 0.639 0.724 0.958 0.716 CB 1.807 96 residues pruned to eliminate duplicates Z: 91 81.729 2.411 0.684 0.720 0.956 0.744 CB 1.821 91 residues pruned to eliminate duplicates Z: 147 103.302 2.423 0.715 0.681 0.966 0.719 CB 1.804 147 residues pruned to eliminate duplicates Z: 110 88.801 2.386 0.796 0.690 0.954 0.734 CB 1.748 110 residues pruned to eliminate duplicates Z: 53 60.278 2.370 0.688 0.695 0.962 0.712 CB 1.819 53 residues pruned to eliminate duplicates Z: 150 103.926 2.405 0.745 0.677 0.973 0.711 CB 1.771 150 residues pruned to eliminate duplicates Z: 141 101.064 2.445 0.689 0.716 0.964 0.729 CB 1.765 141 residues pruned to eliminate duplicates Z: 75 79.356 2.446 0.709 0.741 0.973 0.716 CB 1.828 75 residues pruned to eliminate duplicates Z: 143 107.650 2.448 0.706 0.752 0.958 0.768 CB 1.804 143 residues pruned to eliminate duplicates Z: 133 113.877 2.474 0.780 0.750 0.977 0.742 CB 1.843 133 residues pruned to eliminate duplicates Z: 51 57.053 2.392 0.611 0.721 0.940 0.740 CB 1.824 51 residues pruned to eliminate duplicates Z: 75 80.318 2.440 0.712 0.730 0.973 0.743 CB 1.867 75 residues pruned to eliminate duplicates Z: 134 111.574 2.467 0.749 0.754 0.977 0.782 CB 1.829 134 residues pruned to eliminate duplicates Z: 106 92.183 2.441 0.736 0.737 0.971 0.743 CB 1.767 106 residues pruned to eliminate duplicates Z: 147 99.510 2.387 0.716 0.676 0.959 0.705 CB 1.783 147 residues pruned to eliminate duplicates Z: 144 110.674 2.442 0.767 0.741 0.951 0.741 CB 1.818 144 residues pruned to eliminate duplicates Z: 95 75.714 2.418 0.595 0.711 0.926 0.734 CB 1.808 95 residues pruned to eliminate duplicates Z: 128 104.941 2.440 0.777 0.728 0.976 0.756 CB 1.791 128 residues pruned to eliminate duplicates Z: 73 75.302 2.481 0.629 0.753 0.944 0.792 CB 1.855 73 residues pruned to eliminate duplicates Z: 39 57.070 2.459 0.671 0.780 0.947 0.816 CB 1.859 39 residues pruned to eliminate duplicates Z: 144 111.436 2.448 0.753 0.742 0.965 0.776 CB 1.811 144 residues pruned to eliminate duplicates Z: 97 74.435 2.381 0.609 0.702 0.927 0.729 CB 1.780 33 residues pruned to eliminate duplicates Z: 27 66.546 2.461 0.960 0.922 0.962 0.846 CB 1.979 27 residues pruned to eliminate duplicates Z: 173 119.015 2.419 0.845 0.693 0.948 0.686 CB 1.798 173 residues pruned to eliminate duplicates Z: 184 125.699 2.443 0.759 0.715 0.973 0.732 CB 1.830 184 residues pruned to eliminate duplicates Z: 40 61.733 2.414 0.774 0.798 0.974 0.795 CB 1.825 40 residues pruned to eliminate duplicates Z: 96 84.506 2.395 0.738 0.719 0.958 0.768 CB 1.784 62 residues pruned to eliminate duplicates Z: 27 61.058 2.467 0.852 0.908 0.962 0.885 CB 1.935 27 residues pruned to eliminate duplicates Z: 127 106.649 2.446 0.824 0.729 0.960 0.722 CB 1.805 127 residues pruned to eliminate duplicates Z: 144 114.254 2.453 0.796 0.755 0.951 0.776 CB 1.817 145 residues pruned to eliminate duplicates Z: 27 74.490 2.451 1.220 0.919 0.962 0.923 CB 1.968 27 residues pruned to eliminate duplicates Z: 143 121.006 2.459 0.842 0.756 0.965 0.803 CB 1.849 143 residues pruned to eliminate duplicates Z: 18 64.241 2.527 1.133 0.946 1.000 0.882 CB 2.000 18 residues pruned to eliminate duplicates Z: 75 82.368 2.438 0.808 0.745 0.959 0.757 CB 1.818 75 residues pruned to eliminate duplicates Z: 143 114.671 2.449 0.818 0.748 0.972 0.768 CB 1.782 143 residues pruned to eliminate duplicates Z: 184 123.716 2.430 0.788 0.715 0.956 0.705 CB 1.812 184 residues pruned to eliminate duplicates Z: 137 118.711 2.473 0.862 0.756 0.971 0.713 CB 1.813 137 residues pruned to eliminate duplicates Z: 33 79.896 2.516 1.211 0.795 1.000 0.750 CB 1.961 33 residues pruned to eliminate duplicates Z: 144 119.970 2.442 0.881 0.749 0.965 0.741 CB 1.813 144 residues pruned to eliminate duplicates Z: 128 107.879 2.428 0.905 0.732 0.937 0.803 CB 1.792 128 residues pruned to eliminate duplicates Z: 155 113.647 2.411 0.807 0.712 0.955 0.779 CB 1.817 155 residues pruned to eliminate duplicates Z: 145 114.551 2.440 0.808 0.745 0.965 0.736 CB 1.801 145 residues pruned to eliminate duplicates Z: 144 116.423 2.448 0.821 0.748 0.972 0.762 CB 1.800 144 residues pruned to eliminate duplicates Z: 172 125.048 2.441 0.822 0.714 0.965 0.708 CB 1.836 126 residues pruned to eliminate duplicates Z: 27 78.105 2.554 1.215 0.900 0.962 0.885 CB 2.011 27 residues pruned to eliminate duplicates Z: 172 118.834 2.447 0.781 0.721 0.947 0.737 CB 1.802 172 residues pruned to eliminate duplicates Z: 146 111.958 2.418 0.872 0.700 0.945 0.710 CB 1.811 146 residues pruned to eliminate duplicates Z: 11 13.154 2.108 0.732 0.227 1.000 0.700 CA 1.568 11 residues pruned to eliminate duplicates Z: 46 42.833 2.297 0.631 0.537 0.911 0.578 CB 1.803 46 residues pruned to eliminate duplicates Z: 43 46.671 2.337 0.664 0.592 0.952 0.524 CB 1.780 43 residues pruned to eliminate duplicates Z: 41 45.710 2.349 0.703 0.580 0.950 0.700 CB 1.762 41 residues pruned to eliminate duplicates Z: 43 36.976 2.341 0.488 0.541 0.905 0.524 CB 1.739 43 residues pruned to eliminate duplicates Z: 56 62.147 2.366 0.802 0.629 0.964 0.600 CB 1.807 56 residues pruned to eliminate duplicates Z: 28 40.803 2.296 0.725 0.666 0.963 0.593 CB 1.766 28 residues pruned to eliminate duplicates Z: 58 58.461 2.417 0.583 0.657 0.947 0.737 CB 1.846 58 residues pruned to eliminate duplicates Z: 37 44.144 2.391 0.671 0.576 0.944 0.667 CB 1.813 37 residues pruned to eliminate duplicates Z: 22 37.224 2.219 0.736 0.822 0.952 0.810 CB 1.675 22 residues pruned to eliminate duplicates Z: 56 59.646 2.298 0.783 0.633 0.945 0.636 CB 1.833 56 residues pruned to eliminate duplicates Z: 29 41.675 2.301 0.686 0.614 1.000 0.679 CB 1.822 29 residues pruned to eliminate duplicates Z: 31 40.320 2.232 0.839 0.613 0.933 0.767 CB 1.726 31 residues pruned to eliminate duplicates Z: 38 41.954 2.263 0.732 0.573 0.973 0.568 CB 1.685 38 residues pruned to eliminate duplicates Z: 38 39.238 2.297 0.643 0.563 0.946 0.595 CB 1.699 38 residues pruned to eliminate duplicates Z: 30 39.264 2.290 0.764 0.602 0.966 0.586 CB 1.697 30 residues pruned to eliminate duplicates Z: 43 46.650 2.344 0.680 0.608 0.929 0.571 CB 1.776 43 residues pruned to eliminate duplicates Z: 15 38.339 2.374 0.656 0.917 1.000 0.857 CB 1.839 15 residues pruned to eliminate duplicates Z: 38 41.217 2.353 0.650 0.545 1.000 0.703 CB 1.670 38 residues pruned to eliminate duplicates Z: 29 38.498 2.277 0.622 0.608 1.000 0.607 CB 1.777 29 residues pruned to eliminate duplicates Z: 38 37.011 2.320 0.610 0.585 0.892 0.703 CB 1.684 38 residues pruned to eliminate duplicates Z: 58 56.809 2.378 0.599 0.648 0.947 0.649 CB 1.820 58 residues pruned to eliminate duplicates Z: 30 35.991 2.299 0.608 0.602 0.966 0.655 CB 1.698 30 residues pruned to eliminate duplicates Z: 59 58.464 2.370 0.679 0.664 0.914 0.586 CB 1.813 59 residues pruned to eliminate duplicates Z: 16 30.891 2.391 0.569 0.859 0.933 0.733 CB 1.676 16 residues pruned to eliminate duplicates Z: 38 40.147 2.366 0.610 0.556 0.946 0.730 CB 1.734 38 residues pruned to eliminate duplicates Z: 37 42.608 2.373 0.661 0.565 0.944 0.556 CB 1.792 37 residues pruned to eliminate duplicates Z: 58 58.508 2.399 0.613 0.662 0.947 0.649 CB 1.820 58 residues pruned to eliminate duplicates Z: 16 22.395 2.118 0.557 0.558 1.000 0.400 CB 1.657 16 residues pruned to eliminate duplicates Z: 39 36.292 2.238 0.661 0.558 0.921 0.605 CB 1.625 39 residues pruned to eliminate duplicates Z: 41 46.381 2.384 0.635 0.608 0.950 0.500 CB 1.788 41 residues pruned to eliminate duplicates Z: 43 42.727 2.318 0.593 0.567 0.929 0.548 CB 1.803 43 residues pruned to eliminate duplicates Z: 183 112.635 2.417 0.656 0.711 0.962 0.753 CB 1.792 183 residues pruned to eliminate duplicates Z: 57 53.118 2.378 0.612 0.640 0.911 0.714 CB 1.783 57 residues pruned to eliminate duplicates Z: 58 57.799 2.338 0.762 0.640 0.930 0.632 CB 1.754 58 residues pruned to eliminate duplicates Z: 58 60.030 2.386 0.654 0.663 0.965 0.596 CB 1.796 58 residues pruned to eliminate duplicates Z: 58 60.939 2.382 0.698 0.625 0.982 0.649 CB 1.806 58 residues pruned to eliminate duplicates Z: 58 65.818 2.414 0.705 0.666 0.982 0.684 CB 1.849 58 residues pruned to eliminate duplicates Z: 57 55.807 2.384 0.610 0.656 0.946 0.661 CB 1.777 57 residues pruned to eliminate duplicates Z: 17 39.367 2.463 0.674 0.818 1.000 0.875 CA 1.811 17 residues pruned to eliminate duplicates Z: 29 52.597 2.496 0.743 0.700 0.964 0.714 CB 1.975 29 residues pruned to eliminate duplicates Z: 58 62.049 2.427 0.709 0.646 0.947 0.667 CB 1.826 58 residues pruned to eliminate duplicates Z: 17 43.617 2.506 0.708 0.867 1.000 1.000 CB 1.864 17 residues pruned to eliminate duplicates Z: 17 42.242 2.476 0.620 0.935 1.000 0.938 CB 1.834 17 residues pruned to eliminate duplicates Z: 18 38.904 2.468 0.591 0.826 1.000 1.000 CB 1.812 18 residues pruned to eliminate duplicates Z: 17 41.729 2.500 0.592 0.868 1.000 0.938 CB 1.916 17 residues pruned to eliminate duplicates Z: 148 95.136 2.400 0.600 0.678 0.959 0.721 CB 1.809 148 residues pruned to eliminate duplicates Z: 71 72.194 2.407 0.664 0.735 0.971 0.800 CB 1.796 71 residues pruned to eliminate duplicates Z: 18 36.346 2.488 0.412 0.830 1.000 0.882 CB 1.887 18 residues pruned to eliminate duplicates Z: 71 70.781 2.404 0.640 0.758 0.986 0.814 CB 1.731 71 residues pruned to eliminate duplicates Z: 81 65.642 2.372 0.624 0.680 0.938 0.663 CB 1.722 81 residues pruned to eliminate duplicates Z: 143 103.689 2.426 0.673 0.735 0.951 0.761 CB 1.827 143 residues pruned to eliminate duplicates Z: 109 83.531 2.392 0.664 0.666 0.972 0.685 CB 1.782 109 residues pruned to eliminate duplicates Z: 112 86.705 2.404 0.695 0.678 0.964 0.658 CB 1.779 112 residues pruned to eliminate duplicates Z: 145 108.073 2.443 0.679 0.733 0.972 0.792 CB 1.832 145 residues pruned to eliminate duplicates Z: 127 95.254 2.425 0.651 0.725 0.960 0.778 CB 1.802 127 residues pruned to eliminate duplicates Z: 78 64.935 2.361 0.557 0.695 0.974 0.766 CB 1.729 78 residues pruned to eliminate duplicates Z: 73 73.915 2.395 0.726 0.730 0.986 0.750 CB 1.739 73 residues pruned to eliminate duplicates Z: 109 85.420 2.389 0.717 0.683 0.954 0.722 CB 1.776 109 residues pruned to eliminate duplicates Z: 72 69.503 2.405 0.682 0.735 0.944 0.775 CB 1.750 72 residues pruned to eliminate duplicates Z: 75 68.382 2.381 0.670 0.710 0.973 0.797 CB 1.698 75 residues pruned to eliminate duplicates Z: 118 91.488 2.415 0.673 0.715 0.949 0.744 CB 1.816 118 residues pruned to eliminate duplicates Z: 154 116.266 2.479 0.692 0.739 0.980 0.752 CB 1.846 154 residues pruned to eliminate duplicates Z: 73 78.803 2.373 0.854 0.721 0.972 0.764 CB 1.779 73 residues pruned to eliminate duplicates Z: 128 95.714 2.423 0.664 0.720 0.961 0.795 CB 1.798 128 residues pruned to eliminate duplicates Z: 120 94.484 2.419 0.712 0.699 0.958 0.689 CB 1.821 32 residues pruned to eliminate duplicates Z: 18 53.823 2.410 1.092 0.905 1.000 0.941 CB 1.843 18 residues pruned to eliminate duplicates Z: 107 88.846 2.416 0.673 0.730 0.972 0.755 CB 1.786 107 residues pruned to eliminate duplicates Z: 41 56.628 2.384 0.889 0.709 0.950 0.775 CB 1.731 41 residues pruned to eliminate duplicates Z: 57 58.924 2.322 0.812 0.689 0.946 0.750 CB 1.664 57 residues pruned to eliminate duplicates Z: 71 78.785 2.432 0.791 0.750 0.971 0.786 CB 1.780 71 residues pruned to eliminate duplicates Z: 107 85.802 2.415 0.673 0.718 0.953 0.745 CB 1.777 107 residues pruned to eliminate duplicates Z: 72 75.624 2.410 0.723 0.744 0.972 0.803 CB 1.788 72 residues pruned to eliminate duplicates Z: 73 72.384 2.366 0.698 0.745 0.972 0.833 CB 1.754 73 residues pruned to eliminate duplicates Z: 113 87.117 2.378 0.730 0.668 0.973 0.679 CB 1.761 113 residues pruned to eliminate duplicates Z: 91 71.306 2.347 0.668 0.673 0.933 0.700 CB 1.754 91 residues pruned to eliminate duplicates Z: 33 39.139 2.311 0.453 0.736 0.969 0.812 CB 1.721 33 residues pruned to eliminate duplicates Z: 109 86.128 2.389 0.652 0.718 0.963 0.769 CB 1.791 109 residues pruned to eliminate duplicates Z: 149 97.752 2.408 0.681 0.658 0.953 0.703 CB 1.799 149 residues pruned to eliminate duplicates Z: 118 82.266 2.359 0.691 0.650 0.966 0.692 CB 1.717 118 residues pruned to eliminate duplicates Z: 55 70.934 2.462 0.757 0.785 0.963 0.852 CB 1.803 55 residues pruned to eliminate duplicates 361 residues left after pruning, divided into chains as follows: A: 88 B: 95 C: 13 D: 95 E: 70 CC for partial structure against native data = 40.70 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.506, Connect. = 0.809 for dens.mod. cycle 1 = 0.300, Contrast = 0.561, Connect. = 0.821 for dens.mod. cycle 2 = 0.300, Contrast = 0.691, Connect. = 0.846 for dens.mod. cycle 3 = 0.300, Contrast = 0.698, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.710, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.715, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.721, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.724, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.730, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2650 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 58.582 2.462 1.107 0.926 1.000 0.941 CB 1.921 B: 20 47.834 2.473 0.913 0.892 0.947 0.842 CB 1.759 C: 17 58.770 2.543 1.024 0.951 1.000 0.938 CB 1.967 17 residues pruned to eliminate duplicates D: 17 44.650 2.469 0.641 0.928 1.000 0.938 CA 1.929 E: 11 26.827 2.426 0.364 0.850 1.000 0.800 CA 1.899 F: 27 65.420 2.436 1.097 0.912 0.962 0.615 CB 1.849 20 residues pruned to eliminate duplicates G: 16 42.170 2.554 0.596 0.916 0.933 0.933 CB 2.021 16 residues pruned to eliminate duplicates H: 18 41.322 2.402 0.556 0.943 1.000 0.882 CB 1.858 I: 19 51.061 2.435 0.983 0.916 0.944 0.722 CB 1.864 19 residues pruned to eliminate duplicates J: 18 36.436 2.382 0.589 0.937 1.000 0.941 CB 1.624 K: 27 58.658 2.441 0.804 0.918 0.962 0.846 CB 1.915 18 residues pruned to eliminate duplicates L: 17 61.533 2.509 1.155 0.944 1.000 0.812 CB 1.971 17 residues pruned to eliminate duplicates M: 17 38.092 2.437 0.647 0.895 1.000 0.812 CB 1.700 N: 15 37.321 2.383 0.657 0.941 1.000 0.786 CB 1.754 O: 18 42.902 2.411 0.677 0.913 0.941 0.882 CB 1.935 18 residues pruned to eliminate duplicates P: 27 70.364 2.433 1.117 0.921 0.962 0.769 CB 1.961 27 residues pruned to eliminate duplicates Q: 15 28.673 2.350 0.398 0.949 1.000 1.000 CB 1.609 15 residues pruned to eliminate duplicates R: 19 43.467 2.339 0.731 0.912 1.000 0.778 CB 1.792 S: 17 43.007 2.416 0.754 0.927 0.938 0.875 CB 1.896 17 residues pruned to eliminate duplicates T: 18 46.384 2.405 0.692 0.920 1.000 0.941 CB 1.947 U: 18 38.083 2.412 0.709 0.913 1.000 0.824 CB 1.586 18 residues pruned to eliminate duplicates V: 27 65.171 2.442 1.091 0.914 1.000 0.846 CB 1.770 28 residues pruned to eliminate duplicates W: 19 41.965 2.317 0.682 0.867 1.000 0.778 CB 1.855 19 residues pruned to eliminate duplicates X: 11 19.870 2.198 0.214 0.741 1.000 0.300 C 1.898 Y: 18 47.160 2.421 0.813 0.934 1.000 0.941 CB 1.817 19 residues pruned to eliminate duplicates Z: 22 35.062 2.323 0.473 0.798 0.952 0.762 CB 1.810 22 residues pruned to eliminate duplicates Z: 19 31.037 2.284 0.461 0.888 0.944 0.944 CB 1.672 19 residues pruned to eliminate duplicates Z: 18 45.881 2.342 0.784 0.934 1.000 0.882 CB 1.858 18 residues pruned to eliminate duplicates Z: 27 70.583 2.399 1.232 0.918 0.962 0.615 CB 1.895 27 residues pruned to eliminate duplicates Z: 16 47.653 2.426 1.002 0.922 1.000 0.867 CB 1.781 17 residues pruned to eliminate duplicates Z: 18 42.738 2.560 0.543 0.917 0.941 0.824 CB 1.967 18 residues pruned to eliminate duplicates Z: 19 49.123 2.315 0.887 0.924 1.000 0.833 CA 1.862 19 residues pruned to eliminate duplicates Z: 19 44.179 2.297 0.809 0.918 1.000 0.778 CA 1.768 18 residues pruned to eliminate duplicates Z: 18 37.158 2.375 0.479 0.926 1.000 0.882 CB 1.799 18 residues pruned to eliminate duplicates Z: 17 36.134 2.353 0.540 0.906 1.000 1.000 CA 1.774 11 residues pruned to eliminate duplicates Z: 15 33.067 2.344 0.581 0.925 1.000 0.929 CB 1.674 15 residues pruned to eliminate duplicates Z: 27 73.036 2.417 1.182 0.927 1.000 0.923 CB 1.903 27 residues pruned to eliminate duplicates Z: 19 39.079 2.305 0.568 0.918 1.000 0.889 CA 1.797 19 residues pruned to eliminate duplicates Z: 17 48.072 2.471 1.065 0.915 1.000 0.875 CB 1.665 17 residues pruned to eliminate duplicates Z: 19 40.127 2.293 0.481 0.928 1.000 0.944 CB 1.950 18 residues pruned to eliminate duplicates Z: 10 17.575 2.322 0.371 0.732 0.889 0.333 CA 1.680 10 residues pruned to eliminate duplicates Z: 18 45.177 2.439 0.750 0.921 0.941 0.824 CB 1.919 19 residues pruned to eliminate duplicates Z: 17 43.565 2.428 1.031 0.879 0.938 0.812 CB 1.709 17 residues pruned to eliminate duplicates Z: 18 44.168 2.451 0.666 0.919 1.000 0.824 CB 1.849 18 residues pruned to eliminate duplicates Z: 27 71.508 2.403 1.218 0.927 1.000 0.731 CB 1.843 27 residues pruned to eliminate duplicates Z: 18 48.970 2.449 0.855 0.938 0.941 0.882 CB 1.932 18 residues pruned to eliminate duplicates Z: 17 43.091 2.459 0.750 0.919 1.000 0.750 CB 1.764 17 residues pruned to eliminate duplicates Z: 26 60.998 2.533 0.689 0.936 1.000 0.960 CB 1.986 26 residues pruned to eliminate duplicates Z: 17 40.529 2.372 0.629 0.899 1.000 0.938 CB 1.874 17 residues pruned to eliminate duplicates Z: 17 45.817 2.463 0.953 0.885 1.000 0.750 CB 1.719 17 residues pruned to eliminate duplicates Z: 16 38.612 2.366 0.576 0.912 1.000 1.000 CB 1.894 16 residues pruned to eliminate duplicates Z: 18 43.381 2.387 0.576 0.924 1.000 0.882 CA 1.964 18 residues pruned to eliminate duplicates Z: 27 63.185 2.461 1.087 0.906 0.962 0.769 CB 1.784 27 residues pruned to eliminate duplicates Z: 27 76.579 2.432 1.245 0.918 1.000 0.731 CB 1.940 27 residues pruned to eliminate duplicates Z: 18 45.809 2.328 0.771 0.897 1.000 0.882 CA 1.929 18 residues pruned to eliminate duplicates Z: 16 35.281 2.390 0.477 0.914 1.000 0.867 CB 1.824 16 residues pruned to eliminate duplicates Z: 16 46.804 2.364 1.015 0.927 0.933 0.933 CB 1.905 16 residues pruned to eliminate duplicates Z: 18 52.749 2.339 0.979 0.945 1.000 1.000 CA 1.912 18 residues pruned to eliminate duplicates Z: 10 15.205 2.273 -0.023 0.779 1.000 0.444 C 1.785 10 residues pruned to eliminate duplicates Z: 12 21.008 2.280 0.341 0.871 1.000 0.455 CB 1.512 Z: 19 47.017 2.308 0.860 0.907 1.000 0.889 CA 1.834 19 residues pruned to eliminate duplicates Z: 27 47.858 2.495 0.585 0.895 0.962 0.923 CB 1.770 27 residues pruned to eliminate duplicates Z: 19 45.362 2.404 0.600 0.929 1.000 0.944 CB 1.944 19 residues pruned to eliminate duplicates Z: 26 40.587 2.353 0.577 0.913 0.960 0.800 CB 1.613 26 residues pruned to eliminate duplicates Z: 18 44.143 2.439 0.558 0.915 1.000 0.941 CB 1.991 18 residues pruned to eliminate duplicates Z: 16 47.782 2.449 0.801 0.925 1.000 0.867 CB 1.963 16 residues pruned to eliminate duplicates Z: 27 77.464 2.425 1.258 0.915 1.000 0.731 CB 1.961 27 residues pruned to eliminate duplicates Z: 27 70.803 2.479 1.129 0.903 0.962 0.885 CB 1.951 27 residues pruned to eliminate duplicates Z: 10 13.928 2.224 0.114 0.773 0.889 0.556 C 1.657 Z: 18 36.665 2.373 0.578 0.935 0.941 0.941 CB 1.759 18 residues pruned to eliminate duplicates Z: 18 38.242 2.386 0.917 0.927 1.000 1.000 CB 1.421 18 residues pruned to eliminate duplicates Z: 18 41.154 2.397 0.555 0.945 1.000 0.941 CB 1.854 18 residues pruned to eliminate duplicates Z: 18 56.676 2.464 0.986 0.948 1.000 0.941 CB 1.940 18 residues pruned to eliminate duplicates Z: 27 54.022 2.485 0.750 0.913 0.923 0.885 CB 1.868 27 residues pruned to eliminate duplicates Z: 17 36.349 2.372 0.599 0.902 0.938 0.938 CB 1.822 17 residues pruned to eliminate duplicates Z: 11 17.916 2.167 0.336 0.761 0.900 0.400 C 1.724 11 residues pruned to eliminate duplicates Z: 17 49.055 2.508 0.768 0.936 1.000 0.938 CB 1.927 17 residues pruned to eliminate duplicates Z: 28 52.395 2.422 0.745 0.881 0.963 0.889 CB 1.794 28 residues pruned to eliminate duplicates Z: 17 38.514 2.430 0.575 0.939 1.000 0.938 CB 1.749 17 residues pruned to eliminate duplicates Z: 16 38.404 2.546 0.461 0.934 1.000 0.933 CB 1.860 16 residues pruned to eliminate duplicates Z: 27 75.231 2.420 1.270 0.921 1.000 0.846 CB 1.890 27 residues pruned to eliminate duplicates Z: 17 44.224 2.402 0.862 0.923 0.938 0.875 CB 1.853 17 residues pruned to eliminate duplicates Z: 22 35.135 2.410 0.350 0.825 0.952 0.810 CA 1.869 22 residues pruned to eliminate duplicates Z: 18 49.621 2.392 0.897 0.912 1.000 0.882 CB 1.878 17 residues pruned to eliminate duplicates Z: 18 31.751 2.399 0.375 0.884 0.941 0.882 CB 1.792 18 residues pruned to eliminate duplicates Z: 16 47.505 2.471 0.793 0.919 1.000 0.933 CA 1.952 16 residues pruned to eliminate duplicates Z: 18 36.756 2.409 0.544 0.894 1.000 0.824 CB 1.720 18 residues pruned to eliminate duplicates Z: 11 13.813 2.202 0.370 0.754 0.700 0.500 C 1.650 10 residues pruned to eliminate duplicates Z: 6 10.396 2.133 0.154 0.779 1.000 0.600 CA 1.476 Z: 18 33.813 2.354 0.799 0.919 0.941 0.941 CB 1.450 18 residues pruned to eliminate duplicates Z: 17 34.605 2.278 0.598 0.908 1.000 0.938 CA 1.688 17 residues pruned to eliminate duplicates Z: 18 40.644 2.357 0.805 0.906 1.000 0.882 CB 1.648 18 residues pruned to eliminate duplicates Z: 17 46.014 2.451 0.811 0.941 1.000 0.875 CB 1.799 17 residues pruned to eliminate duplicates Z: 18 36.300 2.411 0.437 0.890 0.941 0.882 CB 1.944 18 residues pruned to eliminate duplicates Z: 16 29.077 2.227 0.554 0.907 0.933 0.733 CB 1.652 16 residues pruned to eliminate duplicates Z: 16 23.900 2.268 0.275 0.892 1.000 1.000 CB 1.533 Z: 17 41.448 2.514 0.593 0.934 1.000 0.938 CB 1.804 17 residues pruned to eliminate duplicates Z: 6 12.644 2.070 0.223 0.872 1.000 0.800 CA 1.629 6 residues pruned to eliminate duplicates Z: 27 69.263 2.438 1.236 0.918 0.962 0.731 CB 1.828 27 residues pruned to eliminate duplicates Z: 17 38.765 2.434 0.496 0.928 1.000 0.875 CB 1.864 16 residues pruned to eliminate duplicates Z: 16 34.873 2.350 0.510 0.891 1.000 0.867 CB 1.824 16 residues pruned to eliminate duplicates Z: 27 64.785 2.451 1.084 0.925 0.962 0.885 CB 1.816 27 residues pruned to eliminate duplicates Z: 12 17.416 2.151 0.192 0.807 1.000 0.636 CB 1.567 13 residues pruned to eliminate duplicates Z: 19 38.934 2.348 0.470 0.925 1.000 0.833 CB 1.865 19 residues pruned to eliminate duplicates Z: 18 46.979 2.528 0.731 0.942 0.941 0.941 CB 1.919 18 residues pruned to eliminate duplicates Z: 18 53.417 2.386 0.972 0.931 1.000 0.882 CA 1.924 18 residues pruned to eliminate duplicates Z: 19 52.838 2.243 1.168 0.913 1.000 0.833 CA 1.813 20 residues pruned to eliminate duplicates Z: 7 9.582 1.701 0.413 0.819 1.000 0.667 C 1.234 7 residues pruned to eliminate duplicates Z: 17 34.280 2.282 0.559 0.892 1.000 0.812 CA 1.730 17 residues pruned to eliminate duplicates Z: 27 52.238 2.417 0.638 0.923 0.962 0.923 CB 1.892 27 residues pruned to eliminate duplicates Z: 15 33.891 2.350 0.594 0.937 1.000 0.786 CB 1.683 15 residues pruned to eliminate duplicates Z: 18 43.560 2.336 0.599 0.912 1.000 0.882 CB 2.003 18 residues pruned to eliminate duplicates Z: 17 41.089 2.425 0.648 0.923 1.000 0.875 CB 1.806 17 residues pruned to eliminate duplicates Z: 27 66.325 2.460 0.945 0.934 0.962 0.923 CB 1.971 27 residues pruned to eliminate duplicates Z: 18 33.469 2.362 0.556 0.877 0.941 0.941 CB 1.704 18 residues pruned to eliminate duplicates Z: 16 28.409 2.274 0.399 0.902 1.000 0.933 CB 1.644 16 residues pruned to eliminate duplicates Z: 139 109.520 2.435 0.791 0.722 0.971 0.696 CB 1.802 107 residues pruned to eliminate duplicates Z: 18 40.276 2.369 0.715 0.901 1.000 0.941 CB 1.717 18 residues pruned to eliminate duplicates Z: 15 18.977 2.128 0.133 0.899 1.000 0.786 CB 1.504 Z: 27 63.703 2.483 1.046 0.909 0.923 0.808 CB 1.890 27 residues pruned to eliminate duplicates Z: 27 65.703 2.489 1.119 0.900 0.923 0.769 CB 1.890 27 residues pruned to eliminate duplicates Z: 18 38.962 2.451 0.468 0.874 1.000 0.882 CA 1.911 18 residues pruned to eliminate duplicates Z: 16 43.997 2.372 0.978 0.888 0.933 0.867 CB 1.869 16 residues pruned to eliminate duplicates Z: 19 47.817 2.400 0.737 0.908 1.000 0.833 CA 1.921 19 residues pruned to eliminate duplicates Z: 17 46.121 2.382 1.031 0.891 0.938 0.875 CB 1.828 17 residues pruned to eliminate duplicates Z: 18 35.101 2.505 0.469 0.904 0.882 0.824 CB 1.867 18 residues pruned to eliminate duplicates Z: 16 32.278 2.356 0.368 0.884 1.000 0.800 CA 1.868 16 residues pruned to eliminate duplicates Z: 10 18.354 2.134 0.348 0.920 0.889 0.778 CA 1.685 10 residues pruned to eliminate duplicates Z: 27 75.097 2.445 1.266 0.922 0.962 0.846 CB 1.944 27 residues pruned to eliminate duplicates Z: 17 32.816 2.327 0.432 0.903 1.000 0.812 CB 1.754 17 residues pruned to eliminate duplicates Z: 18 40.411 2.311 0.974 0.865 0.941 0.765 CB 1.673 18 residues pruned to eliminate duplicates Z: 16 42.774 2.401 0.806 0.915 1.000 0.933 CA 1.801 16 residues pruned to eliminate duplicates Z: 9 19.155 2.117 0.560 0.891 0.875 0.750 CA 1.685 9 residues pruned to eliminate duplicates Z: 18 37.340 2.382 0.799 0.926 1.000 0.941 CB 1.483 18 residues pruned to eliminate duplicates Z: 27 70.370 2.420 1.189 0.927 0.962 0.846 CB 1.900 27 residues pruned to eliminate duplicates Z: 17 37.222 2.464 0.461 0.924 1.000 1.000 CB 1.815 17 residues pruned to eliminate duplicates Z: 12 36.422 2.199 0.905 0.935 1.000 0.909 CA 1.827 12 residues pruned to eliminate duplicates Z: 16 30.791 2.303 0.444 0.923 1.000 0.933 CB 1.680 16 residues pruned to eliminate duplicates Z: 18 43.651 2.368 0.839 0.922 1.000 0.941 CB 1.709 18 residues pruned to eliminate duplicates Z: 10 27.023 2.325 0.535 0.883 1.000 0.667 C 1.825 10 residues pruned to eliminate duplicates Z: 18 47.072 2.369 0.768 0.912 1.000 0.882 CA 1.930 18 residues pruned to eliminate duplicates Z: 18 36.197 2.376 0.609 0.890 1.000 0.824 CB 1.652 18 residues pruned to eliminate duplicates Z: 18 42.475 2.345 0.744 0.915 1.000 0.882 CB 1.780 18 residues pruned to eliminate duplicates Z: 19 46.987 2.314 0.843 0.916 1.000 0.778 CA 1.834 19 residues pruned to eliminate duplicates Z: 17 49.503 2.373 0.935 0.905 1.000 0.875 CB 1.918 17 residues pruned to eliminate duplicates Z: 18 41.856 2.518 0.598 0.909 0.941 0.824 CB 1.902 18 residues pruned to eliminate duplicates Z: 27 65.384 2.466 1.177 0.927 0.923 0.692 CB 1.814 27 residues pruned to eliminate duplicates Z: 11 22.072 2.121 0.377 0.922 1.000 0.900 C 1.681 11 residues pruned to eliminate duplicates Z: 15 16.443 2.115 -0.042 0.922 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 6 5.455 1.907 0.048 0.693 0.800 0.600 CA 1.279 6 residues pruned to eliminate duplicates Z: 10 23.134 2.163 0.518 0.926 1.000 0.778 CB 1.646 Z: 16 27.146 2.211 0.365 0.913 1.000 0.933 CB 1.643 16 residues pruned to eliminate duplicates Z: 16 36.658 2.396 0.568 0.893 0.933 0.867 CB 1.938 16 residues pruned to eliminate duplicates Z: 12 16.030 2.096 0.317 0.798 1.000 0.727 CB 1.349 Z: 11 20.144 2.155 0.412 0.816 1.000 0.500 CA 1.590 11 residues pruned to eliminate duplicates Z: 17 32.492 2.444 0.369 0.929 1.000 1.000 CB 1.700 16 residues pruned to eliminate duplicates Z: 11 21.359 2.291 0.428 0.877 1.000 0.700 CB 1.500 12 residues pruned to eliminate duplicates Z: 17 32.089 2.456 0.271 0.907 1.000 0.938 CB 1.828 17 residues pruned to eliminate duplicates Z: 18 51.975 2.435 0.901 0.931 0.941 0.941 CB 2.023 18 residues pruned to eliminate duplicates Z: 12 17.784 2.044 0.459 0.802 0.909 0.545 C 1.519 12 residues pruned to eliminate duplicates Z: 26 89.376 2.524 1.386 0.941 1.000 0.720 CB 2.061 36 residues pruned to eliminate duplicates Z: 18 41.320 2.409 0.663 0.876 1.000 0.882 CB 1.818 18 residues pruned to eliminate duplicates Z: 12 17.116 2.306 0.028 0.855 1.000 0.727 CB 1.607 12 residues pruned to eliminate duplicates Z: 18 41.505 2.369 0.528 0.935 1.000 0.882 C 1.939 18 residues pruned to eliminate duplicates Z: 12 21.600 1.972 0.707 0.912 0.909 0.545 CB 1.508 12 residues pruned to eliminate duplicates Z: 18 32.536 2.426 0.421 0.867 0.941 0.882 CB 1.778 18 residues pruned to eliminate duplicates Z: 22 38.423 2.423 0.462 0.812 0.952 0.667 CA 1.893 22 residues pruned to eliminate duplicates Z: 18 33.127 2.429 0.275 0.919 0.941 0.882 CB 1.942 18 residues pruned to eliminate duplicates Z: 18 38.831 2.325 0.745 0.900 0.941 0.824 CA 1.762 18 residues pruned to eliminate duplicates Z: 14 29.600 2.265 0.479 0.897 1.000 0.846 CA 1.755 14 residues pruned to eliminate duplicates Z: 58 58.201 2.381 0.650 0.658 0.947 0.649 CB 1.789 44 residues pruned to eliminate duplicates Z: 16 13.356 1.974 0.266 0.558 0.800 0.600 CB 1.629 Z: 18 54.145 2.503 0.974 0.948 0.941 0.882 CB 1.950 18 residues pruned to eliminate duplicates Z: 17 46.632 2.451 0.734 0.943 1.000 0.875 CB 1.901 17 residues pruned to eliminate duplicates Z: 15 20.028 2.050 0.137 0.940 1.000 0.929 CB 1.595 15 residues pruned to eliminate duplicates Z: 97 80.023 2.371 0.626 0.706 0.958 0.729 CB 1.832 91 residues pruned to eliminate duplicates Z: 27 74.102 2.434 1.256 0.922 0.962 0.692 CB 1.935 27 residues pruned to eliminate duplicates Z: 17 31.595 2.324 0.393 0.912 1.000 0.875 CA 1.728 17 residues pruned to eliminate duplicates Z: 14 25.391 2.342 0.320 0.936 1.000 1.000 CB 1.586 14 residues pruned to eliminate duplicates Z: 7 6.945 1.962 0.260 0.607 0.667 0.667 C 1.554 7 residues pruned to eliminate duplicates Z: 27 75.012 2.426 1.299 0.941 0.962 0.962 CB 1.904 27 residues pruned to eliminate duplicates Z: 72 84.781 2.444 0.737 0.769 0.986 0.732 CB 1.894 63 residues pruned to eliminate duplicates Z: 12 17.992 2.098 0.536 0.720 0.909 0.636 C 1.518 12 residues pruned to eliminate duplicates Z: 11 15.633 1.959 0.175 0.885 1.000 0.800 CA 1.550 11 residues pruned to eliminate duplicates Z: 11 26.313 2.209 0.617 0.919 1.000 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 14 47.590 2.420 1.130 0.939 1.000 0.923 CB 1.779 14 residues pruned to eliminate duplicates Z: 12 14.329 2.123 0.500 0.659 0.818 0.364 CA 1.430 12 residues pruned to eliminate duplicates Z: 9 23.505 2.293 0.496 0.906 1.000 0.875 CB 1.724 9 residues pruned to eliminate duplicates Z: 17 33.459 2.344 0.459 0.897 1.000 0.938 CA 1.751 17 residues pruned to eliminate duplicates Z: 19 30.160 2.261 0.559 0.869 0.944 0.889 CB 1.559 19 residues pruned to eliminate duplicates Z: 96 86.840 2.363 0.749 0.733 0.958 0.684 CB 1.825 96 residues pruned to eliminate duplicates Z: 27 63.858 2.447 1.123 0.934 0.923 0.769 CB 1.822 27 residues pruned to eliminate duplicates Z: 16 27.663 2.267 0.412 0.885 1.000 0.933 CB 1.610 16 residues pruned to eliminate duplicates Z: 15 44.172 2.468 0.830 0.912 1.000 0.714 CB 1.852 15 residues pruned to eliminate duplicates Z: 19 36.701 2.372 0.442 0.903 0.944 0.833 CB 1.909 19 residues pruned to eliminate duplicates Z: 21 36.547 2.370 0.593 0.794 0.900 0.650 CB 1.859 21 residues pruned to eliminate duplicates Z: 16 45.511 2.467 0.954 0.938 1.000 0.933 CB 1.696 16 residues pruned to eliminate duplicates Z: 18 48.721 2.388 0.710 0.920 1.000 0.882 C 2.037 18 residues pruned to eliminate duplicates Z: 15 20.100 2.093 0.125 0.903 1.000 0.786 CB 1.626 15 residues pruned to eliminate duplicates Z: 13 21.839 2.182 0.447 0.847 0.917 0.750 CB 1.617 13 residues pruned to eliminate duplicates Z: 18 40.751 2.404 0.691 0.914 0.941 0.941 CB 1.827 18 residues pruned to eliminate duplicates Z: 18 47.269 2.371 1.005 0.898 1.000 0.824 CB 1.726 17 residues pruned to eliminate duplicates Z: 18 40.132 2.463 0.530 0.920 0.941 0.941 CB 1.932 18 residues pruned to eliminate duplicates Z: 19 40.768 2.436 0.548 0.842 1.000 0.778 CB 1.898 19 residues pruned to eliminate duplicates Z: 27 73.118 2.418 1.286 0.914 0.962 0.808 CB 1.909 27 residues pruned to eliminate duplicates Z: 14 37.503 2.349 0.884 0.924 1.000 0.923 CB 1.650 14 residues pruned to eliminate duplicates Z: 14 19.374 2.168 0.078 0.929 1.000 0.846 CB 1.609 14 residues pruned to eliminate duplicates Z: 97 77.060 2.354 0.757 0.695 0.896 0.635 CB 1.776 92 residues pruned to eliminate duplicates Z: 18 31.200 2.333 0.683 0.927 0.941 0.882 CB 1.435 18 residues pruned to eliminate duplicates Z: 156 112.528 2.432 0.688 0.725 0.961 0.684 CB 1.870 159 residues pruned to eliminate duplicates Z: 17 34.157 2.309 0.482 0.869 1.000 0.688 CA 1.823 17 residues pruned to eliminate duplicates Z: 11 19.256 2.277 0.291 0.838 1.000 0.700 CB 1.548 11 residues pruned to eliminate duplicates Z: 18 56.104 2.520 0.998 0.939 0.941 0.941 CB 1.996 18 residues pruned to eliminate duplicates Z: 17 43.454 2.423 0.871 0.918 0.875 0.875 CA 1.932 17 residues pruned to eliminate duplicates Z: 18 42.431 2.341 1.077 0.932 1.000 0.706 CB 1.478 18 residues pruned to eliminate duplicates Z: 12 17.219 2.034 0.390 0.782 0.909 0.455 CA 1.575 12 residues pruned to eliminate duplicates Z: 15 39.579 2.345 0.787 0.939 1.000 0.857 CB 1.754 15 residues pruned to eliminate duplicates Z: 13 25.422 2.202 0.557 0.860 1.000 0.833 CB 1.574 13 residues pruned to eliminate duplicates Z: 10 22.626 2.160 0.478 0.926 1.000 1.000 CB 1.656 10 residues pruned to eliminate duplicates Z: 18 43.593 2.423 0.601 0.948 1.000 1.000 CA 1.882 18 residues pruned to eliminate duplicates Z: 12 20.578 2.027 0.467 0.865 0.909 0.909 CB 1.682 12 residues pruned to eliminate duplicates Z: 7 23.053 2.200 0.647 0.892 1.000 1.000 CA 1.866 7 residues pruned to eliminate duplicates Z: 15 21.829 2.031 0.297 0.882 1.000 0.857 CB 1.603 15 residues pruned to eliminate duplicates Z: 7 19.934 2.138 0.546 0.887 1.000 0.833 CA 1.775 7 residues pruned to eliminate duplicates Z: 17 51.076 2.267 1.246 0.923 1.000 0.688 CA 1.763 17 residues pruned to eliminate duplicates Z: 27 52.167 2.396 0.653 0.900 0.962 0.923 CB 1.920 27 residues pruned to eliminate duplicates Z: 16 23.087 1.959 0.514 0.882 1.000 0.800 CB 1.455 15 residues pruned to eliminate duplicates Z: 10 26.886 2.327 0.477 0.912 1.000 1.000 C 1.846 10 residues pruned to eliminate duplicates Z: 12 27.822 2.345 0.631 0.830 1.000 0.727 CB 1.649 12 residues pruned to eliminate duplicates Z: 13 27.351 2.199 0.655 0.863 1.000 0.750 CB 1.592 13 residues pruned to eliminate duplicates Z: 17 44.901 2.399 0.631 0.924 1.000 0.938 CA 2.015 17 residues pruned to eliminate duplicates Z: 18 50.057 2.270 1.087 0.933 1.000 0.765 CA 1.788 18 residues pruned to eliminate duplicates Z: 15 22.671 2.081 0.410 0.907 0.929 0.714 CB 1.581 15 residues pruned to eliminate duplicates Z: 18 47.434 2.392 0.824 0.942 1.000 0.941 CA 1.828 18 residues pruned to eliminate duplicates Z: 38 51.951 2.343 0.899 0.743 0.919 0.676 CB 1.681 38 residues pruned to eliminate duplicates Z: 17 41.205 2.465 0.832 0.915 1.000 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 11 20.641 2.272 0.392 0.892 1.000 0.900 CB 1.483 11 residues pruned to eliminate duplicates Z: 8 8.008 1.695 0.126 0.720 0.857 0.571 C 1.516 8 residues pruned to eliminate duplicates Z: 17 44.028 2.278 0.857 0.935 1.000 0.938 CA 1.812 17 residues pruned to eliminate duplicates Z: 26 40.272 2.310 0.594 0.860 0.920 0.800 CB 1.748 26 residues pruned to eliminate duplicates Z: 17 46.200 2.368 0.789 0.925 1.000 0.875 CA 1.914 17 residues pruned to eliminate duplicates Z: 43 35.738 2.205 0.506 0.581 0.952 0.548 CB 1.612 28 residues pruned to eliminate duplicates Z: 43 34.302 2.224 0.364 0.604 0.952 0.571 CB 1.659 43 residues pruned to eliminate duplicates Z: 21 32.656 2.443 0.416 0.780 0.850 0.800 CB 1.941 21 residues pruned to eliminate duplicates Z: 15 21.049 2.079 0.276 0.869 1.000 0.714 CB 1.549 15 residues pruned to eliminate duplicates Z: 16 43.891 2.468 0.674 0.939 1.000 1.000 CB 1.906 16 residues pruned to eliminate duplicates Z: 11 22.382 2.103 0.477 0.846 1.000 0.700 CA 1.694 11 residues pruned to eliminate duplicates Z: 12 26.048 2.347 0.568 0.847 1.000 0.727 CB 1.584 12 residues pruned to eliminate duplicates Z: 18 38.207 2.287 0.709 0.921 1.000 0.882 CB 1.669 18 residues pruned to eliminate duplicates Z: 12 25.054 2.320 0.458 0.880 1.000 0.818 CB 1.618 12 residues pruned to eliminate duplicates Z: 18 53.282 2.448 0.957 0.925 1.000 0.824 CB 1.892 18 residues pruned to eliminate duplicates Z: 15 33.979 2.370 0.576 0.947 1.000 0.857 CB 1.681 15 residues pruned to eliminate duplicates Z: 6 9.446 2.055 -0.128 0.837 1.000 0.400 C 1.763 6 residues pruned to eliminate duplicates Z: 17 45.632 2.390 0.826 0.909 1.000 0.625 CB 1.856 17 residues pruned to eliminate duplicates Z: 33 29.866 2.178 0.463 0.623 0.969 0.625 CB 1.524 33 residues pruned to eliminate duplicates Z: 27 65.019 2.384 1.040 0.904 1.000 0.692 CB 1.867 27 residues pruned to eliminate duplicates Z: 19 30.037 2.212 0.730 0.907 1.000 0.889 CB 1.315 19 residues pruned to eliminate duplicates Z: 10 19.487 2.275 0.297 0.877 1.000 0.778 CB 1.599 10 residues pruned to eliminate duplicates Z: 58 53.928 2.261 0.600 0.675 0.965 0.614 CB 1.742 58 residues pruned to eliminate duplicates Z: 15 31.383 2.345 0.455 0.940 1.000 0.857 CB 1.708 15 residues pruned to eliminate duplicates Z: 17 32.200 2.261 0.458 0.873 1.000 0.812 CA 1.779 17 residues pruned to eliminate duplicates Z: 15 38.755 2.352 0.760 0.939 1.000 0.857 CB 1.739 15 residues pruned to eliminate duplicates Z: 16 26.102 2.214 0.365 0.927 1.000 1.000 CB 1.562 16 residues pruned to eliminate duplicates Z: 19 41.821 2.364 0.642 0.919 1.000 0.889 CB 1.790 19 residues pruned to eliminate duplicates Z: 10 23.574 2.427 0.321 0.821 1.000 0.556 CB 1.855 10 residues pruned to eliminate duplicates Z: 17 33.635 2.244 0.659 0.919 1.000 0.875 CB 1.592 17 residues pruned to eliminate duplicates Z: 18 46.756 2.354 0.811 0.918 1.000 0.765 CB 1.875 18 residues pruned to eliminate duplicates Z: 11 16.914 2.086 0.398 0.852 0.900 0.800 C 1.508 11 residues pruned to eliminate duplicates Z: 27 63.803 2.447 1.158 0.931 0.923 0.808 CB 1.794 27 residues pruned to eliminate duplicates Z: 16 50.932 2.414 1.080 0.925 1.000 1.000 CA 1.837 16 residues pruned to eliminate duplicates Z: 29 38.805 2.272 0.663 0.654 0.964 0.679 CB 1.744 29 residues pruned to eliminate duplicates Z: 12 28.338 2.329 0.696 0.848 1.000 0.727 CB 1.605 12 residues pruned to eliminate duplicates Z: 27 66.354 2.450 1.137 0.913 0.962 0.808 CB 1.830 27 residues pruned to eliminate duplicates Z: 18 46.824 2.324 0.996 0.895 1.000 0.706 CB 1.755 18 residues pruned to eliminate duplicates Z: 14 22.713 2.163 0.335 0.948 0.923 0.846 CB 1.633 14 residues pruned to eliminate duplicates Z: 12 28.991 2.320 0.669 0.876 1.000 1.000 CB 1.640 12 residues pruned to eliminate duplicates Z: 9 12.294 2.346 -0.050 0.772 0.875 0.750 CB 1.754 13 residues pruned to eliminate duplicates Z: 17 34.038 2.435 0.550 0.919 1.000 1.000 CB 1.589 17 residues pruned to eliminate duplicates Z: 58 49.373 2.357 0.540 0.632 0.912 0.632 CB 1.745 59 residues pruned to eliminate duplicates Z: 95 87.761 2.402 0.743 0.741 0.957 0.723 CB 1.821 95 residues pruned to eliminate duplicates Z: 7 5.346 1.755 0.242 0.687 0.667 0.667 CB 1.265 7 residues pruned to eliminate duplicates Z: 91 76.464 2.379 0.679 0.693 0.956 0.700 CB 1.770 91 residues pruned to eliminate duplicates Z: 19 44.976 2.227 0.795 0.933 1.000 0.778 C 1.850 19 residues pruned to eliminate duplicates Z: 16 17.459 1.967 0.144 0.873 1.000 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 13 28.637 2.288 0.525 0.933 1.000 0.917 CB 1.653 13 residues pruned to eliminate duplicates Z: 14 24.105 2.164 0.461 0.916 0.923 0.692 CB 1.617 14 residues pruned to eliminate duplicates Z: 7 5.248 1.840 0.043 0.770 0.667 0.500 C 1.319 7 residues pruned to eliminate duplicates Z: 6 11.656 2.033 0.200 0.808 1.000 0.800 C 1.633 6 residues pruned to eliminate duplicates Z: 27 60.083 2.468 0.871 0.913 1.000 0.885 CB 1.807 27 residues pruned to eliminate duplicates Z: 14 20.665 2.147 0.245 0.910 1.000 0.846 CB 1.521 14 residues pruned to eliminate duplicates Z: 14 18.545 2.287 0.428 0.571 0.769 0.538 CA 1.911 14 residues pruned to eliminate duplicates Z: 17 32.198 2.363 0.555 0.939 1.000 0.938 CB 1.522 17 residues pruned to eliminate duplicates Z: 11 14.467 1.990 0.207 0.900 0.900 0.900 CB 1.512 11 residues pruned to eliminate duplicates Z: 15 38.541 2.349 0.806 0.936 1.000 0.929 CB 1.690 15 residues pruned to eliminate duplicates Z: 30 36.301 2.243 0.690 0.623 0.931 0.690 CB 1.701 29 residues pruned to eliminate duplicates Z: 6 13.046 2.050 0.501 0.730 1.000 0.600 CB 1.542 6 residues pruned to eliminate duplicates Z: 15 17.677 2.083 0.123 0.886 1.000 0.857 CB 1.457 15 residues pruned to eliminate duplicates Z: 16 38.242 2.336 0.742 0.935 1.000 1.000 CB 1.691 16 residues pruned to eliminate duplicates Z: 16 47.104 2.428 1.117 0.923 1.000 0.867 CB 1.662 16 residues pruned to eliminate duplicates Z: 16 38.472 2.273 0.780 0.913 1.000 0.867 CB 1.738 16 residues pruned to eliminate duplicates Z: 18 33.478 2.312 0.453 0.919 1.000 0.941 CB 1.704 18 residues pruned to eliminate duplicates Z: 95 76.759 2.327 0.767 0.700 0.904 0.585 CB 1.774 107 residues pruned to eliminate duplicates Z: 16 36.558 2.300 0.710 0.943 1.000 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 6 9.485 2.030 -0.148 0.844 1.000 0.800 CA 1.826 6 residues pruned to eliminate duplicates Z: 11 17.507 2.096 0.337 0.865 0.900 0.800 C 1.608 11 residues pruned to eliminate duplicates Z: 52 54.965 2.360 0.655 0.697 0.922 0.667 CB 1.786 52 residues pruned to eliminate duplicates Z: 12 13.857 2.103 0.225 0.897 1.000 0.818 CB 1.162 12 residues pruned to eliminate duplicates Z: 6 11.286 1.847 0.701 0.757 1.000 0.400 CB 1.278 6 residues pruned to eliminate duplicates Z: 20 43.845 2.218 0.851 0.903 1.000 0.895 CA 1.746 20 residues pruned to eliminate duplicates Z: 17 39.247 2.418 0.719 0.921 1.000 1.000 CB 1.661 17 residues pruned to eliminate duplicates Z: 12 19.216 2.276 0.351 0.854 0.909 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 17 39.157 2.334 0.654 0.916 1.000 0.938 CA 1.791 17 residues pruned to eliminate duplicates Z: 15 34.386 2.221 0.775 0.923 0.929 0.857 CB 1.764 15 residues pruned to eliminate duplicates Z: 10 20.937 2.201 0.521 0.808 0.889 0.444 CA 1.793 10 residues pruned to eliminate duplicates Z: 65 58.149 2.260 0.745 0.620 0.953 0.656 CB 1.727 65 residues pruned to eliminate duplicates Z: 57 59.452 2.373 0.612 0.695 0.946 0.732 CB 1.836 57 residues pruned to eliminate duplicates Z: 17 33.551 2.266 0.487 0.912 1.000 1.000 CA 1.764 17 residues pruned to eliminate duplicates Z: 18 47.639 2.296 0.928 0.920 0.941 0.824 CB 1.953 18 residues pruned to eliminate duplicates Z: 29 44.341 2.391 0.740 0.694 0.857 0.571 C 1.967 29 residues pruned to eliminate duplicates Z: 16 39.775 2.345 0.668 0.914 1.000 0.933 CB 1.856 16 residues pruned to eliminate duplicates Z: 18 44.426 2.439 0.738 0.930 1.000 0.941 CB 1.778 18 residues pruned to eliminate duplicates Z: 6 8.357 2.091 -0.166 0.829 1.000 0.800 CB 1.613 Z: 57 61.842 2.397 0.690 0.703 0.946 0.679 CB 1.791 58 residues pruned to eliminate duplicates Z: 76 82.955 2.396 0.836 0.718 0.987 0.653 CB 1.812 76 residues pruned to eliminate duplicates Z: 19 45.814 2.254 0.964 0.883 1.000 0.611 CA 1.765 19 residues pruned to eliminate duplicates Z: 13 16.370 2.160 0.173 0.868 0.917 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 19 32.427 2.472 0.478 0.866 0.889 0.833 CB 1.723 19 residues pruned to eliminate duplicates Z: 57 56.023 2.337 0.717 0.678 0.929 0.661 CB 1.705 57 residues pruned to eliminate duplicates Z: 58 49.658 2.278 0.510 0.664 0.965 0.614 CB 1.703 58 residues pruned to eliminate duplicates Z: 15 39.224 2.330 0.748 0.931 1.000 0.857 CB 1.799 15 residues pruned to eliminate duplicates Z: 9 12.144 1.638 0.442 0.855 1.000 0.750 N 1.341 9 residues pruned to eliminate duplicates Z: 16 30.273 2.309 0.477 0.916 1.000 0.933 CB 1.620 16 residues pruned to eliminate duplicates Z: 11 16.628 2.308 0.319 0.494 1.000 0.600 CA 1.739 11 residues pruned to eliminate duplicates Z: 54 67.298 2.399 0.769 0.689 0.962 0.642 CB 1.904 54 residues pruned to eliminate duplicates Z: 15 25.551 2.052 0.524 0.919 1.000 0.643 CB 1.539 15 residues pruned to eliminate duplicates Z: 7 6.952 1.756 -0.166 0.875 1.000 1.000 C 1.409 7 residues pruned to eliminate duplicates Z: 18 44.918 2.371 0.719 0.933 1.000 0.941 C 1.864 18 residues pruned to eliminate duplicates Z: 18 43.506 2.380 0.811 0.912 1.000 0.941 CB 1.734 18 residues pruned to eliminate duplicates Z: 38 26.216 2.090 0.394 0.562 0.946 0.676 CB 1.473 38 residues pruned to eliminate duplicates Z: 17 36.681 2.389 0.535 0.922 0.938 0.938 CA 1.875 17 residues pruned to eliminate duplicates Z: 29 21.497 2.073 0.391 0.551 0.893 0.571 CB 1.500 29 residues pruned to eliminate duplicates Z: 128 108.684 2.434 0.789 0.728 0.969 0.732 CB 1.863 128 residues pruned to eliminate duplicates Z: 15 31.753 2.512 0.428 0.926 1.000 1.000 CB 1.659 15 residues pruned to eliminate duplicates Z: 17 33.426 2.307 0.427 0.905 1.000 0.812 CB 1.806 17 residues pruned to eliminate duplicates Z: 10 18.907 2.188 0.252 0.909 1.000 0.889 CA 1.633 10 residues pruned to eliminate duplicates Z: 43 44.638 2.339 0.553 0.612 0.976 0.595 CB 1.747 43 residues pruned to eliminate duplicates Z: 18 42.699 2.358 0.818 0.914 1.000 0.765 CB 1.708 18 residues pruned to eliminate duplicates Z: 36 21.134 1.982 0.289 0.524 0.943 0.629 CB 1.449 36 residues pruned to eliminate duplicates Z: 10 11.462 2.065 0.149 0.783 0.778 0.556 CB 1.613 10 residues pruned to eliminate duplicates Z: 6 6.440 2.007 -0.350 0.853 1.000 0.800 CB 1.631 6 residues pruned to eliminate duplicates Z: 14 39.705 2.407 0.932 0.937 0.923 0.846 CB 1.786 14 residues pruned to eliminate duplicates Z: 12 18.885 2.116 0.373 0.881 1.000 0.818 CB 1.420 12 residues pruned to eliminate duplicates Z: 38 36.677 2.214 0.679 0.546 0.973 0.595 CB 1.593 37 residues pruned to eliminate duplicates Z: 17 19.164 2.298 0.549 0.450 0.750 0.500 CB 1.889 17 residues pruned to eliminate duplicates Z: 11 27.585 2.366 0.628 0.894 1.000 1.000 CB 1.624 11 residues pruned to eliminate duplicates Z: 7 8.604 1.987 0.284 0.794 0.833 0.667 C 1.277 7 residues pruned to eliminate duplicates Z: 140 107.144 2.423 0.797 0.735 0.957 0.705 CB 1.767 146 residues pruned to eliminate duplicates Z: 184 107.738 2.405 0.651 0.710 0.923 0.732 CB 1.796 184 residues pruned to eliminate duplicates Z: 10 15.181 2.164 0.341 0.800 0.889 0.667 C 1.508 10 residues pruned to eliminate duplicates Z: 10 17.471 2.059 0.384 0.835 1.000 0.667 C 1.531 10 residues pruned to eliminate duplicates Z: 8 13.761 1.999 0.378 0.848 1.000 0.857 CA 1.401 8 residues pruned to eliminate duplicates Z: 17 37.398 2.488 0.431 0.909 1.000 0.875 CB 1.864 17 residues pruned to eliminate duplicates Z: 11 25.280 2.118 0.705 0.868 1.000 0.700 C 1.619 11 residues pruned to eliminate duplicates Z: 26 69.812 2.401 1.234 0.902 0.960 0.800 CB 1.935 26 residues pruned to eliminate duplicates Z: 16 42.086 2.351 0.812 0.932 1.000 0.933 CA 1.781 16 residues pruned to eliminate duplicates Z: 27 52.474 2.378 0.762 0.899 0.962 0.885 CB 1.826 27 residues pruned to eliminate duplicates Z: 26 52.137 2.484 0.542 0.911 1.000 0.920 CB 1.928 26 residues pruned to eliminate duplicates Z: 18 48.651 2.380 0.810 0.933 1.000 0.941 CA 1.911 18 residues pruned to eliminate duplicates Z: 14 13.368 2.104 0.219 0.770 0.923 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 27 64.583 2.399 0.931 0.926 0.962 0.846 CB 1.995 27 residues pruned to eliminate duplicates Z: 40 38.715 2.259 0.536 0.576 0.974 0.641 CB 1.703 40 residues pruned to eliminate duplicates Z: 17 29.294 2.131 0.607 0.922 1.000 0.938 CB 1.504 17 residues pruned to eliminate duplicates Z: 16 11.798 1.882 0.232 0.601 0.800 0.667 C 1.490 16 residues pruned to eliminate duplicates Z: 33 32.006 2.159 0.616 0.605 0.969 0.625 CB 1.515 33 residues pruned to eliminate duplicates Z: 42 41.009 2.353 0.524 0.591 0.902 0.610 CB 1.814 42 residues pruned to eliminate duplicates Z: 18 35.510 2.354 0.598 0.898 1.000 1.000 CB 1.637 18 residues pruned to eliminate duplicates Z: 17 38.140 2.354 0.604 0.909 1.000 0.875 CA 1.792 17 residues pruned to eliminate duplicates Z: 17 53.149 2.407 1.048 0.923 1.000 0.875 CA 1.894 17 residues pruned to eliminate duplicates Z: 12 15.104 2.058 0.374 0.883 1.000 0.909 CB 1.165 12 residues pruned to eliminate duplicates Z: 15 25.945 2.082 0.591 0.901 0.929 0.786 CB 1.609 15 residues pruned to eliminate duplicates Z: 15 26.744 2.231 0.500 0.926 1.000 0.929 CB 1.497 15 residues pruned to eliminate duplicates Z: 12 22.393 2.239 0.517 0.902 1.000 0.727 CB 1.418 12 residues pruned to eliminate duplicates Z: 16 56.153 2.396 1.221 0.933 1.000 0.667 CA 1.900 16 residues pruned to eliminate duplicates Z: 18 29.612 2.104 0.682 0.906 0.941 0.882 CB 1.533 18 residues pruned to eliminate duplicates Z: 102 86.406 2.392 0.746 0.694 0.960 0.733 CB 1.796 102 residues pruned to eliminate duplicates Z: 8 16.216 1.942 0.554 0.783 1.000 0.571 C 1.583 8 residues pruned to eliminate duplicates Z: 7 7.620 1.855 -0.153 0.808 1.000 0.833 C 1.513 7 residues pruned to eliminate duplicates Z: 11 16.359 2.246 0.143 0.890 1.000 0.800 CB 1.449 11 residues pruned to eliminate duplicates Z: 71 57.739 2.264 0.444 0.690 0.971 0.657 CB 1.826 71 residues pruned to eliminate duplicates Z: 91 86.372 2.380 0.834 0.739 0.978 0.767 CB 1.723 91 residues pruned to eliminate duplicates Z: 97 72.018 2.378 0.527 0.709 0.917 0.740 CB 1.827 39 residues pruned to eliminate duplicates Z: 16 35.003 2.382 0.555 0.936 1.000 1.000 CA 1.700 16 residues pruned to eliminate duplicates Z: 152 118.044 2.422 0.797 0.725 0.974 0.755 CB 1.850 152 residues pruned to eliminate duplicates Z: 17 32.957 2.302 0.827 0.685 0.938 0.625 CB 1.765 17 residues pruned to eliminate duplicates Z: 18 28.687 2.395 0.314 0.902 0.941 0.941 CB 1.676 18 residues pruned to eliminate duplicates Z: 42 59.100 2.390 0.832 0.746 0.976 0.829 CB 1.735 42 residues pruned to eliminate duplicates Z: 142 107.590 2.454 0.708 0.745 0.957 0.738 CB 1.813 95 residues pruned to eliminate duplicates Z: 26 76.556 2.470 1.208 0.946 1.000 0.760 CB 1.941 26 residues pruned to eliminate duplicates Z: 97 80.124 2.389 0.629 0.698 0.958 0.667 CB 1.830 97 residues pruned to eliminate duplicates Z: 8 11.604 1.975 0.241 0.791 1.000 0.571 CB 1.386 8 residues pruned to eliminate duplicates Z: 41 35.446 2.306 0.386 0.605 0.925 0.575 CB 1.716 41 residues pruned to eliminate duplicates Z: 34 25.893 1.965 0.441 0.627 0.879 0.606 CB 1.607 34 residues pruned to eliminate duplicates Z: 10 9.576 1.827 0.158 0.787 0.889 0.667 CA 1.318 10 residues pruned to eliminate duplicates Z: 39 61.527 2.435 0.673 0.812 0.974 0.789 CB 1.919 39 residues pruned to eliminate duplicates Z: 17 39.420 2.392 0.519 0.923 1.000 0.875 CB 1.907 17 residues pruned to eliminate duplicates Z: 10 23.158 2.213 0.539 0.910 1.000 0.778 CB 1.607 10 residues pruned to eliminate duplicates Z: 123 96.233 2.413 0.767 0.699 0.934 0.730 CB 1.824 123 residues pruned to eliminate duplicates Z: 15 16.725 2.199 0.407 0.440 1.000 0.643 CB 1.536 15 residues pruned to eliminate duplicates Z: 25 48.217 2.458 0.882 0.695 0.958 0.792 CB 1.857 25 residues pruned to eliminate duplicates Z: 11 8.438 1.676 0.154 0.764 0.900 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 6 5.044 1.954 0.162 0.471 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 17 35.041 2.448 0.532 0.890 1.000 0.938 CB 1.680 17 residues pruned to eliminate duplicates Z: 16 33.542 2.328 0.541 0.935 1.000 1.000 CB 1.682 16 residues pruned to eliminate duplicates Z: 51 52.952 2.330 0.644 0.699 0.920 0.720 CB 1.773 51 residues pruned to eliminate duplicates Z: 7 9.603 2.052 0.286 0.607 0.833 0.333 CA 1.609 7 residues pruned to eliminate duplicates Z: 14 15.215 2.051 0.041 0.923 1.000 0.846 CB 1.389 14 residues pruned to eliminate duplicates Z: 73 68.747 2.359 0.720 0.705 0.986 0.694 CB 1.681 73 residues pruned to eliminate duplicates Z: 14 37.367 2.307 0.836 0.909 1.000 0.692 CB 1.737 14 residues pruned to eliminate duplicates Z: 42 52.927 2.319 0.681 0.758 0.902 0.756 CB 1.868 42 residues pruned to eliminate duplicates Z: 12 24.360 2.226 0.576 0.866 1.000 0.727 CB 1.532 12 residues pruned to eliminate duplicates Z: 20 20.740 2.235 0.331 0.583 0.895 0.684 CB 1.650 20 residues pruned to eliminate duplicates Z: 16 44.817 2.415 1.066 0.912 1.000 0.800 CB 1.643 16 residues pruned to eliminate duplicates Z: 18 55.383 2.456 1.019 0.949 0.941 0.941 CB 1.987 18 residues pruned to eliminate duplicates Z: 77 82.417 2.403 0.827 0.724 0.961 0.711 CB 1.831 77 residues pruned to eliminate duplicates Z: 15 28.572 2.025 0.795 0.947 0.929 0.857 CB 1.564 15 residues pruned to eliminate duplicates Z: 7 7.891 1.827 0.132 0.744 0.833 0.667 C 1.503 7 residues pruned to eliminate duplicates Z: 31 34.132 2.337 0.399 0.617 0.967 0.633 CB 1.766 31 residues pruned to eliminate duplicates Z: 16 49.381 2.507 0.920 0.927 1.000 0.733 CB 1.856 16 residues pruned to eliminate duplicates Z: 26 34.737 2.317 0.644 0.674 0.960 0.680 CB 1.617 26 residues pruned to eliminate duplicates Z: 35 44.483 2.435 0.575 0.724 0.971 0.706 CB 1.675 35 residues pruned to eliminate duplicates Z: 121 104.709 2.421 0.879 0.728 0.958 0.708 CB 1.786 121 residues pruned to eliminate duplicates Z: 14 19.594 2.249 0.423 0.612 0.846 0.462 C 1.806 14 residues pruned to eliminate duplicates Z: 60 60.753 2.340 0.658 0.693 0.966 0.695 CB 1.769 60 residues pruned to eliminate duplicates Z: 30 38.054 2.223 0.516 0.731 1.000 0.655 CB 1.704 30 residues pruned to eliminate duplicates Z: 109 88.349 2.422 0.731 0.717 0.954 0.694 CB 1.747 109 residues pruned to eliminate duplicates Z: 83 62.343 2.304 0.609 0.673 0.963 0.695 CB 1.643 83 residues pruned to eliminate duplicates Z: 24 68.292 2.510 1.165 0.808 1.000 0.870 CB 2.004 24 residues pruned to eliminate duplicates Z: 25 61.655 2.369 1.170 0.769 1.000 0.708 C 1.929 25 residues pruned to eliminate duplicates Z: 54 56.828 2.411 0.783 0.665 0.906 0.717 CB 1.721 54 residues pruned to eliminate duplicates Z: 11 17.714 2.244 0.243 0.905 1.000 0.700 CB 1.430 11 residues pruned to eliminate duplicates Z: 77 60.537 2.307 0.721 0.648 0.921 0.658 CB 1.654 77 residues pruned to eliminate duplicates Z: 146 113.507 2.433 0.814 0.728 0.959 0.697 CB 1.814 146 residues pruned to eliminate duplicates Z: 96 82.834 2.401 0.687 0.699 0.947 0.674 CB 1.846 96 residues pruned to eliminate duplicates Z: 6 5.494 1.351 0.502 0.796 1.000 1.000 CB 0.935 6 residues pruned to eliminate duplicates Z: 41 32.309 2.175 0.355 0.586 0.975 0.600 CB 1.636 41 residues pruned to eliminate duplicates Z: 11 16.529 2.129 0.258 0.835 0.900 0.800 C 1.624 11 residues pruned to eliminate duplicates Z: 55 53.764 2.351 0.657 0.718 0.944 0.722 CB 1.633 55 residues pruned to eliminate duplicates Z: 67 69.945 2.421 0.685 0.703 0.955 0.758 CB 1.837 67 residues pruned to eliminate duplicates Z: 27 37.061 2.359 0.518 0.711 0.962 0.692 CB 1.743 27 residues pruned to eliminate duplicates Z: 18 34.662 2.302 0.734 0.810 1.000 0.765 CB 1.608 18 residues pruned to eliminate duplicates Z: 125 102.781 2.444 0.742 0.745 0.976 0.758 CB 1.784 125 residues pruned to eliminate duplicates Z: 15 41.520 2.347 1.248 0.717 1.000 0.929 CA 1.728 15 residues pruned to eliminate duplicates Z: 31 40.482 2.246 0.944 0.622 0.900 0.733 CB 1.677 31 residues pruned to eliminate duplicates Z: 87 69.155 2.310 0.651 0.666 0.942 0.698 CB 1.780 87 residues pruned to eliminate duplicates Z: 26 68.908 2.493 1.085 0.954 0.960 0.800 CB 1.899 26 residues pruned to eliminate duplicates Z: 12 23.705 2.002 0.613 0.862 1.000 0.727 C 1.624 12 residues pruned to eliminate duplicates Z: 33 54.252 2.412 0.558 0.804 1.000 0.844 C 1.957 33 residues pruned to eliminate duplicates Z: 163 111.006 2.419 0.732 0.698 0.975 0.704 CB 1.782 163 residues pruned to eliminate duplicates Z: 68 83.906 2.458 0.816 0.748 0.985 0.761 CB 1.869 76 residues pruned to eliminate duplicates Z: 42 55.387 2.295 0.752 0.711 0.976 0.780 CB 1.821 42 residues pruned to eliminate duplicates Z: 153 113.938 2.444 0.791 0.727 0.941 0.750 CB 1.829 153 residues pruned to eliminate duplicates Z: 40 44.592 2.299 0.612 0.642 0.949 0.641 CB 1.779 40 residues pruned to eliminate duplicates Z: 16 29.216 2.236 0.439 0.885 1.000 0.867 CB 1.693 16 residues pruned to eliminate duplicates Z: 15 17.579 2.130 0.009 0.888 1.000 0.929 CB 1.576 15 residues pruned to eliminate duplicates Z: 115 92.215 2.429 0.685 0.727 0.974 0.763 CB 1.766 115 residues pruned to eliminate duplicates Z: 14 27.528 2.210 0.580 0.877 0.923 0.769 CB 1.719 14 residues pruned to eliminate duplicates Z: 57 55.600 2.381 0.583 0.646 0.964 0.679 CB 1.784 57 residues pruned to eliminate duplicates Z: 12 12.674 2.008 0.183 0.811 0.909 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 95 72.771 2.352 0.693 0.662 0.957 0.723 CB 1.694 95 residues pruned to eliminate duplicates Z: 35 61.044 2.407 0.861 0.778 0.971 0.765 CB 1.884 35 residues pruned to eliminate duplicates Z: 32 36.819 2.194 0.539 0.670 0.935 0.710 CB 1.789 32 residues pruned to eliminate duplicates Z: 11 10.707 2.034 0.594 0.409 0.900 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 54 46.997 2.254 0.564 0.662 0.925 0.717 CB 1.705 54 residues pruned to eliminate duplicates Z: 10 19.959 2.270 0.509 0.857 1.000 0.889 CB 1.432 10 residues pruned to eliminate duplicates Z: 16 28.510 2.296 0.314 0.911 1.000 0.933 CB 1.729 16 residues pruned to eliminate duplicates Z: 7 11.268 1.986 0.307 0.883 1.000 1.000 CB 1.281 7 residues pruned to eliminate duplicates Z: 10 22.939 2.122 0.690 0.875 1.000 0.778 CB 1.550 10 residues pruned to eliminate duplicates Z: 54 52.357 2.307 0.715 0.624 0.925 0.660 CB 1.749 54 residues pruned to eliminate duplicates Z: 181 116.462 2.406 0.674 0.744 0.972 0.772 CB 1.782 365 residues pruned to eliminate duplicates Z: 14 23.465 2.323 0.603 0.462 1.000 0.615 CB 1.817 15 residues pruned to eliminate duplicates Z: 18 18.815 2.201 0.639 0.426 1.000 0.647 CB 1.366 Z: 22 60.636 2.510 1.336 0.778 0.952 0.714 CB 1.854 Z: 7 6.705 1.916 0.777 0.247 1.000 0.500 CB 1.076 7 residues pruned to eliminate duplicates Z: 49 60.396 2.358 0.844 0.677 0.917 0.625 CB 1.859 Z: 60 61.224 2.323 0.762 0.740 0.966 0.847 CB 1.626 60 residues pruned to eliminate duplicates Z: 6 13.979 2.406 0.251 0.677 1.000 1.000 CA 1.765 6 residues pruned to eliminate duplicates Z: 40 38.773 2.326 0.495 0.614 0.949 0.590 CB 1.690 40 residues pruned to eliminate duplicates Z: 41 46.905 2.296 0.698 0.610 0.975 0.600 CB 1.758 41 residues pruned to eliminate duplicates Z: 158 103.438 2.365 0.686 0.698 0.968 0.669 CB 1.784 80 residues pruned to eliminate duplicates Z: 16 41.346 2.491 0.683 0.800 1.000 0.867 CA 1.958 16 residues pruned to eliminate duplicates Z: 38 65.218 2.443 0.831 0.791 0.973 0.811 CB 1.908 38 residues pruned to eliminate duplicates Z: 86 80.344 2.368 0.784 0.723 0.976 0.706 CB 1.728 86 residues pruned to eliminate duplicates Z: 20 23.878 2.280 0.510 0.449 1.000 0.579 CB 1.676 20 residues pruned to eliminate duplicates Z: 7 11.244 1.884 0.074 0.901 1.000 0.667 CA 1.620 Z: 14 24.384 2.118 0.426 0.933 1.000 0.923 CB 1.563 14 residues pruned to eliminate duplicates Z: 45 57.320 2.472 0.780 0.710 0.932 0.773 CB 1.742 45 residues pruned to eliminate duplicates Z: 17 50.364 2.451 0.949 0.927 1.000 0.875 CB 1.847 17 residues pruned to eliminate duplicates Z: 13 24.095 2.126 0.501 0.875 0.917 0.833 CA 1.729 13 residues pruned to eliminate duplicates Z: 43 48.092 2.342 0.578 0.672 0.929 0.762 CB 1.846 43 residues pruned to eliminate duplicates Z: 47 65.613 2.470 0.894 0.747 0.957 0.783 CB 1.734 47 residues pruned to eliminate duplicates Z: 8 5.304 1.598 0.546 0.728 0.714 0.286 CB 0.925 8 residues pruned to eliminate duplicates Z: 46 50.336 2.409 0.597 0.721 0.889 0.667 CB 1.797 46 residues pruned to eliminate duplicates Z: 40 54.539 2.319 0.857 0.690 0.923 0.667 CB 1.846 40 residues pruned to eliminate duplicates Z: 31 33.465 2.294 0.605 0.604 0.900 0.667 CB 1.670 31 residues pruned to eliminate duplicates Z: 26 38.769 2.399 0.562 0.682 0.960 0.600 CA 1.823 26 residues pruned to eliminate duplicates Z: 24 34.259 2.312 0.724 0.538 1.000 0.478 CB 1.726 24 residues pruned to eliminate duplicates Z: 118 99.268 2.440 0.764 0.730 0.966 0.718 CB 1.795 118 residues pruned to eliminate duplicates Z: 12 19.593 2.323 0.792 0.360 0.909 0.636 CB 1.815 12 residues pruned to eliminate duplicates Z: 6 9.008 1.739 0.372 0.629 1.000 0.600 C 1.495 6 residues pruned to eliminate duplicates Z: 6 9.922 2.129 0.573 0.775 1.000 0.800 CB 1.039 6 residues pruned to eliminate duplicates Z: 38 44.501 2.251 0.762 0.632 0.892 0.676 CB 1.827 38 residues pruned to eliminate duplicates Z: 14 17.449 1.836 0.593 0.820 0.923 0.615 CB 1.359 Z: 78 67.673 2.348 0.677 0.716 0.948 0.740 CB 1.699 78 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 58 41.630 2.230 0.469 0.596 0.912 0.596 CB 1.683 58 residues pruned to eliminate duplicates Z: 28 31.878 2.206 0.537 0.656 1.000 0.667 CB 1.565 28 residues pruned to eliminate duplicates Z: 28 26.695 2.204 0.370 0.653 0.963 0.704 CB 1.533 28 residues pruned to eliminate duplicates Z: 29 27.257 2.180 0.352 0.639 1.000 0.679 CB 1.535 29 residues pruned to eliminate duplicates Z: 11 11.170 2.095 0.604 0.286 1.000 0.500 CB 1.338 11 residues pruned to eliminate duplicates Z: 59 51.404 2.259 0.604 0.649 0.948 0.586 CB 1.709 59 residues pruned to eliminate duplicates Z: 56 38.950 2.235 0.492 0.569 0.909 0.636 CB 1.621 56 residues pruned to eliminate duplicates Z: 59 48.839 2.267 0.535 0.670 0.914 0.638 CB 1.723 59 residues pruned to eliminate duplicates Z: 43 32.955 2.180 0.385 0.580 0.952 0.595 CB 1.637 43 residues pruned to eliminate duplicates Z: 29 28.436 2.165 0.416 0.647 0.964 0.679 CB 1.585 29 residues pruned to eliminate duplicates Z: 58 53.168 2.292 0.660 0.671 0.930 0.667 CB 1.699 58 residues pruned to eliminate duplicates Z: 57 46.684 2.238 0.606 0.637 0.911 0.643 CB 1.677 57 residues pruned to eliminate duplicates Z: 41 36.756 2.257 0.461 0.629 0.950 0.525 CB 1.644 41 residues pruned to eliminate duplicates Z: 28 29.546 2.214 0.452 0.655 0.963 0.667 CB 1.590 28 residues pruned to eliminate duplicates Z: 14 21.461 2.036 0.285 0.925 1.000 0.769 CB 1.597 14 residues pruned to eliminate duplicates Z: 57 52.034 2.238 0.686 0.683 0.929 0.661 CB 1.678 57 residues pruned to eliminate duplicates Z: 41 36.452 2.260 0.435 0.622 0.950 0.600 CB 1.666 41 residues pruned to eliminate duplicates Z: 58 56.353 2.296 0.622 0.675 0.965 0.649 CB 1.767 58 residues pruned to eliminate duplicates Z: 29 31.421 2.141 0.572 0.662 0.964 0.714 CB 1.574 29 residues pruned to eliminate duplicates Z: 30 27.245 2.176 0.410 0.627 0.966 0.621 CB 1.516 30 residues pruned to eliminate duplicates Z: 43 33.530 2.195 0.467 0.581 0.929 0.548 CB 1.600 43 residues pruned to eliminate duplicates Z: 57 54.278 2.282 0.613 0.673 0.964 0.607 CB 1.743 57 residues pruned to eliminate duplicates Z: 58 53.975 2.290 0.640 0.668 0.930 0.702 CB 1.752 58 residues pruned to eliminate duplicates Z: 15 22.936 2.098 0.424 0.880 0.929 0.714 CB 1.602 15 residues pruned to eliminate duplicates Z: 57 58.022 2.304 0.695 0.684 0.964 0.625 CB 1.740 57 residues pruned to eliminate duplicates Z: 42 35.541 2.238 0.435 0.610 0.951 0.585 CB 1.637 42 residues pruned to eliminate duplicates Z: 44 33.503 2.221 0.388 0.597 0.953 0.558 CB 1.584 44 residues pruned to eliminate duplicates Z: 44 33.683 2.220 0.392 0.594 0.930 0.488 CB 1.634 44 residues pruned to eliminate duplicates Z: 44 36.957 2.188 0.497 0.589 0.977 0.605 CB 1.617 44 residues pruned to eliminate duplicates Z: 58 45.929 2.262 0.448 0.648 0.930 0.649 CB 1.739 58 residues pruned to eliminate duplicates Z: 58 52.936 2.253 0.632 0.665 0.947 0.561 CB 1.728 58 residues pruned to eliminate duplicates Z: 56 46.126 2.245 0.534 0.604 0.927 0.618 CB 1.765 56 residues pruned to eliminate duplicates Z: 108 78.784 2.325 0.627 0.686 0.972 0.710 CB 1.747 108 residues pruned to eliminate duplicates Z: 58 49.151 2.260 0.547 0.648 0.965 0.684 CB 1.681 58 residues pruned to eliminate duplicates Z: 29 48.067 2.391 0.751 0.705 0.929 0.571 C 1.939 29 residues pruned to eliminate duplicates Z: 28 38.435 2.249 0.849 0.609 0.889 0.519 C 1.804 28 residues pruned to eliminate duplicates Z: 43 37.344 2.195 0.544 0.606 0.952 0.500 CB 1.614 43 residues pruned to eliminate duplicates Z: 142 97.252 2.380 0.653 0.702 0.957 0.716 CB 1.808 142 residues pruned to eliminate duplicates Z: 8 5.957 2.123 0.398 0.287 0.571 0.286 CA 1.687 8 residues pruned to eliminate duplicates Z: 29 46.756 2.360 0.747 0.691 0.929 0.643 CA 1.937 29 residues pruned to eliminate duplicates Z: 58 54.636 2.292 0.594 0.684 0.965 0.649 CB 1.734 58 residues pruned to eliminate duplicates Z: 54 49.474 2.267 0.618 0.613 0.962 0.604 CB 1.731 54 residues pruned to eliminate duplicates Z: 58 54.136 2.288 0.639 0.652 0.947 0.579 CB 1.751 58 residues pruned to eliminate duplicates Z: 58 55.044 2.287 0.622 0.664 0.965 0.579 CB 1.750 58 residues pruned to eliminate duplicates Z: 55 48.580 2.229 0.695 0.596 0.944 0.611 CB 1.691 55 residues pruned to eliminate duplicates Z: 59 56.256 2.298 0.650 0.664 0.948 0.672 CB 1.766 59 residues pruned to eliminate duplicates Z: 101 85.719 2.408 0.675 0.709 0.950 0.730 CB 1.850 101 residues pruned to eliminate duplicates Z: 28 51.074 2.436 0.707 0.715 1.000 0.741 CA 1.946 28 residues pruned to eliminate duplicates Z: 16 47.943 2.441 0.932 0.859 1.000 0.867 CA 1.931 16 residues pruned to eliminate duplicates Z: 57 69.830 2.419 0.744 0.721 0.982 0.804 CB 1.845 57 residues pruned to eliminate duplicates Z: 19 37.889 2.207 0.986 0.775 1.000 0.722 CA 1.598 19 residues pruned to eliminate duplicates Z: 18 45.648 2.334 0.953 0.823 1.000 1.000 CA 1.835 18 residues pruned to eliminate duplicates Z: 142 115.875 2.455 0.719 0.751 0.986 0.780 CB 1.875 132 residues pruned to eliminate duplicates Z: 19 47.279 2.297 0.851 0.917 1.000 0.889 CA 1.850 19 residues pruned to eliminate duplicates Z: 148 111.776 2.440 0.678 0.735 0.959 0.714 CB 1.900 149 residues pruned to eliminate duplicates Z: 18 49.094 2.430 0.844 0.907 1.000 0.765 CA 1.889 18 residues pruned to eliminate duplicates Z: 67 73.060 2.394 0.679 0.747 0.985 0.758 CB 1.822 67 residues pruned to eliminate duplicates Z: 147 106.202 2.437 0.603 0.733 0.966 0.767 CB 1.890 147 residues pruned to eliminate duplicates Z: 142 106.369 2.449 0.607 0.748 0.972 0.730 CB 1.876 142 residues pruned to eliminate duplicates Z: 131 96.112 2.422 0.574 0.729 0.969 0.731 CB 1.856 131 residues pruned to eliminate duplicates Z: 165 107.171 2.399 0.636 0.701 0.970 0.701 CB 1.831 165 residues pruned to eliminate duplicates Z: 157 105.920 2.430 0.572 0.726 0.968 0.763 CB 1.872 157 residues pruned to eliminate duplicates Z: 128 100.644 2.443 0.628 0.726 0.976 0.787 CB 1.876 128 residues pruned to eliminate duplicates Z: 90 81.776 2.423 0.660 0.705 0.966 0.674 CB 1.851 90 residues pruned to eliminate duplicates Z: 75 73.543 2.334 0.818 0.687 0.932 0.622 CB 1.820 75 residues pruned to eliminate duplicates Z: 106 97.345 2.424 0.759 0.735 0.971 0.714 CB 1.856 106 residues pruned to eliminate duplicates Z: 143 112.108 2.434 0.732 0.744 0.958 0.768 CB 1.872 143 residues pruned to eliminate duplicates Z: 18 38.409 2.326 0.812 0.902 0.941 0.882 CB 1.675 18 residues pruned to eliminate duplicates Z: 27 47.869 2.352 1.014 0.704 0.923 0.731 CB 1.783 27 residues pruned to eliminate duplicates Z: 91 81.382 2.421 0.667 0.702 0.967 0.744 CB 1.829 91 residues pruned to eliminate duplicates Z: 142 110.362 2.438 0.689 0.748 0.972 0.723 CB 1.862 142 residues pruned to eliminate duplicates Z: 132 87.981 2.355 0.617 0.678 0.954 0.718 CB 1.796 132 residues pruned to eliminate duplicates Z: 157 113.503 2.425 0.680 0.724 0.968 0.692 CB 1.882 157 residues pruned to eliminate duplicates Z: 125 105.231 2.434 0.741 0.736 0.968 0.726 CB 1.865 125 residues pruned to eliminate duplicates Z: 92 80.865 2.379 0.730 0.695 0.945 0.725 CB 1.825 92 residues pruned to eliminate duplicates Z: 43 59.522 2.400 0.824 0.671 0.952 0.667 CB 1.882 43 residues pruned to eliminate duplicates Z: 142 109.682 2.446 0.666 0.749 0.972 0.766 CB 1.868 142 residues pruned to eliminate duplicates Z: 106 93.563 2.415 0.732 0.727 0.971 0.714 CB 1.832 106 residues pruned to eliminate duplicates Z: 55 59.036 2.348 0.759 0.675 0.944 0.759 CB 1.753 55 residues pruned to eliminate duplicates Z: 87 82.975 2.413 0.732 0.697 0.965 0.721 CB 1.854 87 residues pruned to eliminate duplicates Z: 128 108.302 2.444 0.721 0.739 0.976 0.772 CB 1.889 127 residues pruned to eliminate duplicates Z: 17 33.740 2.314 0.471 0.886 1.000 0.875 CA 1.787 17 residues pruned to eliminate duplicates Z: 154 114.202 2.448 0.656 0.735 0.967 0.810 CB 1.906 154 residues pruned to eliminate duplicates Z: 156 120.207 2.434 0.747 0.731 0.981 0.729 CB 1.881 156 residues pruned to eliminate duplicates Z: 60 58.264 2.339 0.742 0.668 0.915 0.746 CB 1.742 60 residues pruned to eliminate duplicates Z: 94 79.314 2.364 0.685 0.680 0.968 0.677 CB 1.807 94 residues pruned to eliminate duplicates Z: 13 19.724 1.971 1.007 0.687 0.833 0.500 C 1.455 13 residues pruned to eliminate duplicates Z: 146 102.064 2.377 0.728 0.705 0.959 0.676 CB 1.786 146 residues pruned to eliminate duplicates Z: 96 81.091 2.403 0.573 0.719 0.968 0.747 CB 1.865 96 residues pruned to eliminate duplicates Z: 88 72.011 2.415 0.535 0.716 0.931 0.724 CB 1.839 88 residues pruned to eliminate duplicates Z: 140 111.924 2.455 0.726 0.749 0.971 0.763 CB 1.847 140 residues pruned to eliminate duplicates Z: 58 65.721 2.347 0.746 0.701 0.982 0.719 CB 1.801 58 residues pruned to eliminate duplicates Z: 94 86.850 2.423 0.640 0.728 0.989 0.720 CB 1.865 94 residues pruned to eliminate duplicates Z: 96 83.873 2.381 0.675 0.729 0.968 0.758 CB 1.813 96 residues pruned to eliminate duplicates Z: 87 83.806 2.450 0.598 0.739 0.988 0.709 CB 1.885 87 residues pruned to eliminate duplicates Z: 105 95.617 2.431 0.735 0.744 0.962 0.731 CB 1.858 105 residues pruned to eliminate duplicates Z: 97 78.192 2.367 0.595 0.713 0.948 0.802 CB 1.839 70 residues pruned to eliminate duplicates Z: 18 38.870 2.437 0.509 0.888 1.000 0.882 CB 1.846 18 residues pruned to eliminate duplicates Z: 138 106.688 2.425 0.707 0.723 0.964 0.774 CB 1.868 138 residues pruned to eliminate duplicates Z: 36 52.595 2.469 0.655 0.679 0.971 0.629 CB 1.900 36 residues pruned to eliminate duplicates Z: 94 85.206 2.425 0.605 0.739 0.989 0.731 CB 1.851 94 residues pruned to eliminate duplicates Z: 128 105.401 2.436 0.712 0.733 0.976 0.717 CB 1.864 128 residues pruned to eliminate duplicates Z: 80 79.651 2.429 0.704 0.723 0.975 0.709 CB 1.816 80 residues pruned to eliminate duplicates Z: 94 86.415 2.429 0.636 0.731 0.978 0.774 CB 1.872 94 residues pruned to eliminate duplicates Z: 95 87.750 2.414 0.676 0.734 0.979 0.777 CB 1.854 95 residues pruned to eliminate duplicates Z: 142 105.244 2.413 0.707 0.721 0.943 0.702 CB 1.868 142 residues pruned to eliminate duplicates Z: 130 105.922 2.417 0.746 0.718 0.977 0.698 CB 1.857 130 residues pruned to eliminate duplicates Z: 52 59.381 2.362 0.699 0.692 0.941 0.686 CB 1.846 52 residues pruned to eliminate duplicates Z: 95 85.358 2.421 0.616 0.736 0.979 0.723 CB 1.860 95 residues pruned to eliminate duplicates Z: 89 83.807 2.423 0.643 0.742 0.966 0.750 CB 1.870 89 residues pruned to eliminate duplicates Z: 90 79.321 2.348 0.772 0.681 0.933 0.652 CB 1.835 90 residues pruned to eliminate duplicates Z: 127 97.754 2.446 0.617 0.722 0.976 0.738 CB 1.846 127 residues pruned to eliminate duplicates Z: 67 64.156 2.388 0.568 0.739 0.970 0.682 CB 1.756 67 residues pruned to eliminate duplicates Z: 183 114.537 2.402 0.631 0.718 0.984 0.753 CB 1.809 183 residues pruned to eliminate duplicates Z: 95 85.260 2.415 0.619 0.725 0.989 0.713 CB 1.855 95 residues pruned to eliminate duplicates Z: 83 59.888 2.309 0.539 0.665 0.915 0.695 CB 1.746 83 residues pruned to eliminate duplicates Z: 90 80.676 2.398 0.629 0.722 0.978 0.742 CB 1.832 90 residues pruned to eliminate duplicates Z: 145 110.176 2.421 0.701 0.745 0.979 0.764 CB 1.829 145 residues pruned to eliminate duplicates Z: 74 72.192 2.434 0.522 0.741 0.986 0.822 CB 1.864 74 residues pruned to eliminate duplicates Z: 109 92.353 2.384 0.741 0.716 0.954 0.704 CB 1.847 109 residues pruned to eliminate duplicates Z: 94 84.605 2.419 0.632 0.738 0.968 0.699 CB 1.855 94 residues pruned to eliminate duplicates Z: 92 75.401 2.397 0.556 0.709 0.967 0.703 CB 1.813 92 residues pruned to eliminate duplicates Z: 94 91.247 2.437 0.727 0.734 0.978 0.720 CB 1.862 94 residues pruned to eliminate duplicates Z: 92 79.166 2.366 0.640 0.711 0.967 0.714 CB 1.827 92 residues pruned to eliminate duplicates Z: 95 82.419 2.384 0.634 0.706 0.968 0.713 CB 1.869 95 residues pruned to eliminate duplicates Z: 94 86.006 2.428 0.628 0.735 0.978 0.753 CB 1.868 94 residues pruned to eliminate duplicates Z: 97 81.917 2.364 0.661 0.713 0.969 0.708 CB 1.811 97 residues pruned to eliminate duplicates Z: 88 85.681 2.438 0.665 0.742 0.977 0.701 CB 1.865 88 residues pruned to eliminate duplicates Z: 93 75.971 2.374 0.574 0.712 0.946 0.761 CB 1.850 93 residues pruned to eliminate duplicates Z: 90 82.274 2.409 0.640 0.724 0.966 0.719 CB 1.866 90 residues pruned to eliminate duplicates Z: 91 81.731 2.386 0.723 0.720 0.944 0.700 CB 1.819 91 residues pruned to eliminate duplicates Z: 90 84.021 2.391 0.695 0.721 0.966 0.730 CB 1.861 90 residues pruned to eliminate duplicates Z: 94 84.431 2.425 0.635 0.732 0.978 0.763 CB 1.832 94 residues pruned to eliminate duplicates Z: 98 77.815 2.343 0.650 0.708 0.948 0.742 CB 1.785 98 residues pruned to eliminate duplicates Z: 173 111.953 2.412 0.670 0.713 0.959 0.709 CB 1.822 173 residues pruned to eliminate duplicates Z: 74 76.684 2.436 0.610 0.746 0.959 0.712 CB 1.914 74 residues pruned to eliminate duplicates Z: 94 89.209 2.421 0.701 0.738 0.968 0.763 CB 1.874 94 residues pruned to eliminate duplicates Z: 71 75.831 2.406 0.777 0.708 0.971 0.743 CB 1.806 71 residues pruned to eliminate duplicates Z: 89 81.595 2.400 0.666 0.732 0.966 0.761 CB 1.828 89 residues pruned to eliminate duplicates Z: 102 90.244 2.367 0.775 0.724 0.970 0.713 CB 1.800 102 residues pruned to eliminate duplicates Z: 100 71.530 2.310 0.602 0.661 0.939 0.758 CB 1.780 100 residues pruned to eliminate duplicates Z: 156 118.101 2.435 0.728 0.736 0.968 0.742 CB 1.886 156 residues pruned to eliminate duplicates Z: 177 115.911 2.385 0.745 0.701 0.966 0.642 CB 1.810 177 residues pruned to eliminate duplicates Z: 39 61.236 2.414 0.695 0.807 0.974 0.842 CB 1.908 39 residues pruned to eliminate duplicates Z: 74 82.248 2.438 0.717 0.750 0.959 0.781 CB 1.918 74 residues pruned to eliminate duplicates Z: 97 76.132 2.369 0.573 0.706 0.969 0.688 CB 1.784 97 residues pruned to eliminate duplicates Z: 40 59.365 2.428 0.697 0.777 0.949 0.744 CB 1.905 40 residues pruned to eliminate duplicates Z: 94 73.737 2.354 0.588 0.690 0.935 0.710 CB 1.837 94 residues pruned to eliminate duplicates Z: 39 71.306 2.433 0.894 0.805 1.000 0.816 C 1.924 39 residues pruned to eliminate duplicates Z: 115 105.934 2.424 0.845 0.738 0.974 0.711 CB 1.840 115 residues pruned to eliminate duplicates Z: 38 69.248 2.462 0.913 0.807 0.973 0.838 CB 1.901 38 residues pruned to eliminate duplicates Z: 144 115.467 2.426 0.787 0.741 0.965 0.720 CB 1.861 144 residues pruned to eliminate duplicates Z: 38 70.630 2.452 0.923 0.804 1.000 0.757 CB 1.888 38 residues pruned to eliminate duplicates Z: 183 120.677 2.382 0.796 0.713 0.951 0.703 CB 1.815 183 residues pruned to eliminate duplicates Z: 89 87.558 2.394 0.779 0.736 0.966 0.705 CB 1.835 89 residues pruned to eliminate duplicates Z: 88 84.049 2.430 0.700 0.740 0.966 0.690 CB 1.822 88 residues pruned to eliminate duplicates Z: 39 70.744 2.412 0.923 0.804 1.000 0.737 CB 1.897 39 residues pruned to eliminate duplicates Z: 128 106.991 2.422 0.799 0.725 0.969 0.740 CB 1.836 128 residues pruned to eliminate duplicates Z: 18 12.592 1.871 0.248 0.509 0.824 0.529 C 1.574 18 residues pruned to eliminate duplicates Z: 95 85.322 2.336 0.733 0.722 0.968 0.681 CB 1.837 95 residues pruned to eliminate duplicates Z: 78 83.024 2.434 0.784 0.724 0.961 0.701 CB 1.852 78 residues pruned to eliminate duplicates Z: 38 66.316 2.471 0.863 0.790 0.973 0.838 CB 1.886 38 residues pruned to eliminate duplicates Z: 15 11.330 1.988 0.189 0.629 0.714 0.571 C 1.589 15 residues pruned to eliminate duplicates Z: 94 81.587 2.386 0.662 0.708 0.957 0.710 CB 1.846 94 residues pruned to eliminate duplicates Z: 97 83.021 2.382 0.681 0.711 0.958 0.750 CB 1.823 97 residues pruned to eliminate duplicates Z: 97 81.326 2.331 0.738 0.714 0.938 0.729 CB 1.800 80 residues pruned to eliminate duplicates Z: 12 7.538 1.728 0.311 0.543 0.636 0.455 O 1.512 12 residues pruned to eliminate duplicates Z: 95 89.776 2.424 0.690 0.736 0.979 0.734 CB 1.868 43 residues pruned to eliminate duplicates Z: 16 45.257 2.372 0.826 0.928 1.000 0.933 CA 1.889 16 residues pruned to eliminate duplicates Z: 68 58.881 2.346 0.574 0.719 0.925 0.672 CB 1.727 68 residues pruned to eliminate duplicates Z: 18 26.768 2.205 0.436 0.706 1.000 0.765 CB 1.700 18 residues pruned to eliminate duplicates Z: 11 16.715 1.954 0.741 0.535 0.900 0.500 CB 1.669 11 residues pruned to eliminate duplicates Z: 59 58.303 2.322 0.748 0.682 0.931 0.707 CB 1.714 59 residues pruned to eliminate duplicates Z: 129 96.348 2.417 0.636 0.719 0.961 0.734 CB 1.839 129 residues pruned to eliminate duplicates Z: 131 97.580 2.393 0.726 0.719 0.946 0.700 CB 1.796 131 residues pruned to eliminate duplicates Z: 131 96.083 2.391 0.707 0.713 0.938 0.746 CB 1.815 131 residues pruned to eliminate duplicates Z: 12 20.705 2.092 0.663 0.673 0.909 0.818 CB 1.683 12 residues pruned to eliminate duplicates Z: 89 82.768 2.418 0.617 0.738 0.977 0.716 CB 1.865 89 residues pruned to eliminate duplicates Z: 92 81.438 2.405 0.646 0.721 0.956 0.736 CB 1.847 92 residues pruned to eliminate duplicates Z: 130 97.124 2.409 0.650 0.726 0.969 0.760 CB 1.812 119 residues pruned to eliminate duplicates Z: 18 37.552 2.359 0.822 0.912 1.000 0.824 CB 1.501 18 residues pruned to eliminate duplicates Z: 106 88.405 2.409 0.719 0.736 0.962 0.762 CB 1.752 106 residues pruned to eliminate duplicates Z: 106 81.834 2.402 0.640 0.733 0.943 0.714 CB 1.744 106 residues pruned to eliminate duplicates Z: 128 99.044 2.451 0.669 0.734 0.961 0.756 CB 1.812 128 residues pruned to eliminate duplicates Z: 128 96.837 2.420 0.695 0.728 0.945 0.756 CB 1.806 129 residues pruned to eliminate duplicates Z: 16 27.497 2.300 0.346 0.924 1.000 1.000 CB 1.610 16 residues pruned to eliminate duplicates Z: 88 74.309 2.362 0.577 0.735 0.966 0.793 CB 1.794 88 residues pruned to eliminate duplicates Z: 120 88.218 2.412 0.685 0.699 0.958 0.697 CB 1.733 120 residues pruned to eliminate duplicates Z: 104 73.143 2.336 0.685 0.644 0.961 0.680 CB 1.666 104 residues pruned to eliminate duplicates Z: 145 105.196 2.433 0.671 0.733 0.958 0.778 CB 1.826 145 residues pruned to eliminate duplicates Z: 106 89.853 2.424 0.707 0.736 0.971 0.724 CB 1.765 106 residues pruned to eliminate duplicates Z: 183 116.160 2.422 0.708 0.699 0.956 0.714 CB 1.816 183 residues pruned to eliminate duplicates Z: 107 82.634 2.396 0.624 0.725 0.972 0.736 CB 1.733 107 residues pruned to eliminate duplicates Z: 184 117.286 2.393 0.734 0.713 0.962 0.727 CB 1.792 195 residues pruned to eliminate duplicates Z: 18 41.689 2.343 0.573 0.914 1.000 0.824 C 1.940 18 residues pruned to eliminate duplicates Z: 118 93.601 2.398 0.762 0.700 0.957 0.675 CB 1.784 118 residues pruned to eliminate duplicates Z: 128 92.784 2.437 0.604 0.726 0.961 0.748 CB 1.788 128 residues pruned to eliminate duplicates Z: 96 76.364 2.391 0.537 0.719 0.958 0.716 CB 1.826 96 residues pruned to eliminate duplicates Z: 89 78.830 2.397 0.729 0.721 0.943 0.727 CB 1.761 89 residues pruned to eliminate duplicates Z: 146 104.381 2.413 0.735 0.701 0.966 0.683 CB 1.785 145 residues pruned to eliminate duplicates Z: 18 38.473 2.364 0.637 0.915 0.941 0.882 CB 1.812 18 residues pruned to eliminate duplicates Z: 111 86.411 2.415 0.664 0.716 0.945 0.718 CB 1.782 111 residues pruned to eliminate duplicates Z: 91 78.748 2.376 0.774 0.697 0.944 0.689 CB 1.742 91 residues pruned to eliminate duplicates Z: 89 72.713 2.374 0.603 0.689 0.943 0.716 CB 1.816 89 residues pruned to eliminate duplicates Z: 184 117.855 2.414 0.742 0.706 0.951 0.678 CB 1.806 184 residues pruned to eliminate duplicates Z: 18 41.289 2.392 0.613 0.905 1.000 0.882 CA 1.847 18 residues pruned to eliminate duplicates Z: 158 107.991 2.419 0.683 0.718 0.962 0.777 CB 1.807 158 residues pruned to eliminate duplicates Z: 208 116.954 2.369 0.697 0.705 0.961 0.720 CB 1.745 277 residues pruned to eliminate duplicates Z: 10 10.174 1.695 0.382 0.757 0.889 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 96 86.121 2.392 0.714 0.720 0.968 0.726 CB 1.824 96 residues pruned to eliminate duplicates Z: 184 114.208 2.430 0.653 0.713 0.967 0.721 CB 1.791 184 residues pruned to eliminate duplicates Z: 42 50.200 2.396 0.548 0.672 0.976 0.659 CB 1.849 42 residues pruned to eliminate duplicates Z: 94 72.856 2.385 0.556 0.709 0.935 0.720 CB 1.800 49 residues pruned to eliminate duplicates Z: 13 21.710 2.158 0.635 0.796 0.917 0.750 CB 1.494 13 residues pruned to eliminate duplicates Z: 96 87.312 2.420 0.694 0.726 0.947 0.747 CB 1.881 96 residues pruned to eliminate duplicates Z: 174 109.016 2.432 0.644 0.708 0.948 0.694 CB 1.810 174 residues pruned to eliminate duplicates Z: 43 49.519 2.384 0.666 0.657 0.929 0.714 CB 1.791 43 residues pruned to eliminate duplicates Z: 97 83.635 2.406 0.702 0.699 0.948 0.677 CB 1.834 89 residues pruned to eliminate duplicates Z: 12 27.503 2.359 0.574 0.853 1.000 0.727 CB 1.651 12 residues pruned to eliminate duplicates Z: 106 85.429 2.404 0.650 0.732 0.981 0.705 CB 1.738 106 residues pruned to eliminate duplicates Z: 174 116.118 2.436 0.774 0.702 0.942 0.711 CB 1.804 174 residues pruned to eliminate duplicates Z: 143 108.964 2.451 0.729 0.759 0.958 0.746 CB 1.789 143 residues pruned to eliminate duplicates Z: 128 98.941 2.433 0.712 0.729 0.953 0.756 CB 1.800 128 residues pruned to eliminate duplicates Z: 143 111.105 2.450 0.738 0.750 0.972 0.754 CB 1.803 143 residues pruned to eliminate duplicates Z: 129 102.083 2.434 0.694 0.726 0.977 0.766 CB 1.829 129 residues pruned to eliminate duplicates Z: 97 75.872 2.395 0.575 0.708 0.917 0.698 CB 1.854 97 residues pruned to eliminate duplicates Z: 78 88.111 2.460 0.803 0.742 0.961 0.753 CB 1.896 78 residues pruned to eliminate duplicates Z: 97 82.651 2.408 0.636 0.719 0.969 0.708 CB 1.814 97 residues pruned to eliminate duplicates Z: 181 114.492 2.419 0.710 0.694 0.961 0.683 CB 1.797 181 residues pruned to eliminate duplicates Z: 185 115.262 2.404 0.745 0.695 0.946 0.734 CB 1.792 185 residues pruned to eliminate duplicates Z: 144 111.311 2.432 0.730 0.741 0.993 0.762 CB 1.795 144 residues pruned to eliminate duplicates Z: 71 74.301 2.469 0.671 0.721 0.943 0.743 CB 1.869 71 residues pruned to eliminate duplicates Z: 143 102.421 2.392 0.743 0.738 0.958 0.704 CB 1.739 143 residues pruned to eliminate duplicates Z: 143 108.806 2.444 0.747 0.743 0.965 0.732 CB 1.783 143 residues pruned to eliminate duplicates Z: 87 89.929 2.475 0.685 0.743 0.988 0.756 CB 1.892 87 residues pruned to eliminate duplicates Z: 97 84.156 2.375 0.759 0.711 0.948 0.698 CB 1.790 97 residues pruned to eliminate duplicates Z: 30 64.743 2.472 0.987 0.787 0.966 0.793 CB 1.969 30 residues pruned to eliminate duplicates Z: 39 73.710 2.465 0.904 0.802 1.000 0.868 CB 1.957 39 residues pruned to eliminate duplicates Z: 118 101.661 2.429 0.815 0.735 0.974 0.735 CB 1.772 118 residues pruned to eliminate duplicates Z: 38 62.196 2.483 0.789 0.788 0.946 0.811 CB 1.889 38 residues pruned to eliminate duplicates Z: 79 85.234 2.463 0.805 0.728 0.962 0.731 CB 1.839 79 residues pruned to eliminate duplicates Z: 63 67.226 2.349 0.730 0.717 0.952 0.726 CB 1.814 63 residues pruned to eliminate duplicates Z: 143 114.565 2.415 0.877 0.731 0.965 0.746 CB 1.785 143 residues pruned to eliminate duplicates Z: 97 83.376 2.377 0.754 0.712 0.938 0.750 CB 1.797 97 residues pruned to eliminate duplicates Z: 87 93.494 2.454 0.811 0.735 0.977 0.733 CB 1.880 87 residues pruned to eliminate duplicates Z: 143 112.119 2.449 0.763 0.748 0.965 0.768 CB 1.810 143 residues pruned to eliminate duplicates Z: 183 125.014 2.439 0.765 0.722 0.984 0.753 CB 1.792 183 residues pruned to eliminate duplicates Z: 80 85.071 2.447 0.846 0.722 0.949 0.658 CB 1.825 80 residues pruned to eliminate duplicates Z: 155 109.179 2.405 0.767 0.693 0.948 0.708 CB 1.830 155 residues pruned to eliminate duplicates Z: 97 86.686 2.404 0.765 0.714 0.948 0.688 CB 1.812 52 residues pruned to eliminate duplicates Z: 29 72.885 2.515 1.143 0.833 1.000 0.821 CB 1.917 29 residues pruned to eliminate duplicates Z: 142 113.504 2.444 0.803 0.755 0.972 0.766 CB 1.779 142 residues pruned to eliminate duplicates Z: 78 82.697 2.421 0.894 0.736 0.935 0.740 CB 1.778 78 residues pruned to eliminate duplicates Z: 40 69.537 2.414 0.868 0.804 1.000 0.744 CB 1.894 40 residues pruned to eliminate duplicates Z: 39 70.285 2.454 0.941 0.772 0.974 0.789 CB 1.933 41 residues pruned to eliminate duplicates Z: 7 14.118 2.074 0.314 0.871 1.000 0.333 CA 1.542 7 residues pruned to eliminate duplicates Z: 9 9.130 1.800 -0.089 0.852 1.000 0.625 CA 1.457 9 residues pruned to eliminate duplicates Z: 13 16.066 2.137 0.286 0.583 0.917 0.667 CB 1.700 13 residues pruned to eliminate duplicates Z: 142 111.154 2.438 0.773 0.752 0.972 0.752 CB 1.781 142 residues pruned to eliminate duplicates Z: 96 87.263 2.390 0.782 0.710 0.958 0.726 CB 1.815 96 residues pruned to eliminate duplicates Z: 97 81.911 2.396 0.676 0.713 0.927 0.740 CB 1.852 97 residues pruned to eliminate duplicates Z: 95 91.533 2.420 0.783 0.729 0.968 0.755 CB 1.839 70 residues pruned to eliminate duplicates Z: 8 9.720 1.943 0.378 0.749 0.857 0.714 CB 1.282 8 residues pruned to eliminate duplicates Z: 99 78.438 2.374 0.589 0.717 0.949 0.663 CB 1.817 99 residues pruned to eliminate duplicates Z: 113 85.636 2.381 0.731 0.676 0.964 0.688 CB 1.731 113 residues pruned to eliminate duplicates Z: 118 95.895 2.418 0.750 0.695 0.974 0.658 CB 1.801 118 residues pruned to eliminate duplicates Z: 93 81.399 2.366 0.773 0.696 0.957 0.717 CB 1.768 58 residues pruned to eliminate duplicates Z: 16 35.993 2.290 0.754 0.894 1.000 0.667 CB 1.660 16 residues pruned to eliminate duplicates Z: 67 69.023 2.376 0.750 0.772 0.955 0.742 CB 1.683 67 residues pruned to eliminate duplicates Z: 122 84.191 2.386 0.700 0.690 0.917 0.653 CB 1.729 122 residues pruned to eliminate duplicates Z: 68 63.081 2.351 0.692 0.758 0.955 0.791 CB 1.613 68 residues pruned to eliminate duplicates Z: 128 98.124 2.427 0.728 0.714 0.953 0.764 CB 1.795 128 residues pruned to eliminate duplicates Z: 109 83.785 2.380 0.710 0.709 0.963 0.769 CB 1.702 109 residues pruned to eliminate duplicates Z: 144 105.206 2.423 0.681 0.736 0.972 0.755 CB 1.798 108 residues pruned to eliminate duplicates Z: 11 24.604 2.205 0.562 0.899 1.000 0.800 C 1.616 11 residues pruned to eliminate duplicates Z: 143 106.343 2.449 0.631 0.758 0.986 0.782 CB 1.802 143 residues pruned to eliminate duplicates Z: 67 68.781 2.359 0.746 0.764 0.985 0.788 CB 1.651 67 residues pruned to eliminate duplicates Z: 145 107.475 2.440 0.702 0.735 0.965 0.785 CB 1.809 145 residues pruned to eliminate duplicates Z: 96 80.781 2.404 0.604 0.723 0.968 0.716 CB 1.816 96 residues pruned to eliminate duplicates Z: 73 68.276 2.338 0.745 0.732 0.958 0.736 CB 1.670 73 residues pruned to eliminate duplicates Z: 128 93.974 2.432 0.652 0.713 0.953 0.732 CB 1.795 128 residues pruned to eliminate duplicates Z: 143 104.695 2.444 0.730 0.739 0.937 0.739 CB 1.791 143 residues pruned to eliminate duplicates Z: 92 80.009 2.388 0.713 0.692 0.989 0.736 CB 1.739 92 residues pruned to eliminate duplicates Z: 58 58.813 2.354 0.703 0.671 0.930 0.526 CB 1.784 58 residues pruned to eliminate duplicates Z: 31 31.970 2.219 0.774 0.570 0.900 0.633 CB 1.540 Z: 8 7.908 1.960 0.104 0.506 1.000 0.143 CA 1.374 8 residues pruned to eliminate duplicates Z: 37 38.163 2.279 0.718 0.561 0.944 0.639 CB 1.621 31 residues pruned to eliminate duplicates Z: 7 8.446 1.775 0.126 0.768 1.000 0.667 CB 1.360 7 residues pruned to eliminate duplicates Z: 29 39.121 2.295 0.708 0.632 0.964 0.786 CB 1.728 29 residues pruned to eliminate duplicates Z: 42 48.370 2.369 0.613 0.604 0.976 0.585 CB 1.834 37 residues pruned to eliminate duplicates Z: 26 33.735 2.085 0.700 0.839 0.960 0.720 CB 1.481 26 residues pruned to eliminate duplicates Z: 30 37.777 2.289 0.724 0.624 0.966 0.690 CB 1.637 30 residues pruned to eliminate duplicates Z: 15 34.525 2.285 0.657 0.894 1.000 0.786 CB 1.749 15 residues pruned to eliminate duplicates Z: 38 41.068 2.339 0.691 0.554 0.973 0.622 CB 1.665 38 residues pruned to eliminate duplicates Z: 28 43.493 2.309 0.829 0.704 0.963 0.704 CB 1.709 29 residues pruned to eliminate duplicates Z: 15 34.980 2.219 0.720 0.942 1.000 0.857 CB 1.698 15 residues pruned to eliminate duplicates Z: 58 52.269 2.372 0.550 0.626 0.930 0.702 CB 1.798 99 residues pruned to eliminate duplicates Z: 146 93.307 2.399 0.640 0.681 0.945 0.703 CB 1.764 146 residues pruned to eliminate duplicates Z: 29 43.073 2.265 0.830 0.636 1.000 0.786 CB 1.728 Z: 16 36.752 2.188 0.718 0.899 1.000 0.867 CB 1.804 16 residues pruned to eliminate duplicates Z: 29 37.616 2.257 0.701 0.685 0.964 0.750 CB 1.620 29 residues pruned to eliminate duplicates Z: 41 43.748 2.340 0.615 0.608 0.900 0.650 CB 1.836 29 residues pruned to eliminate duplicates Z: 15 44.101 2.388 0.960 0.938 1.000 0.786 CB 1.751 15 residues pruned to eliminate duplicates Z: 29 44.864 2.303 0.841 0.664 1.000 0.750 CB 1.718 29 residues pruned to eliminate duplicates Z: 15 38.756 2.304 0.867 0.874 1.000 0.857 CB 1.752 15 residues pruned to eliminate duplicates Z: 147 86.371 2.373 0.591 0.656 0.938 0.678 CB 1.745 188 residues pruned to eliminate duplicates Z: 14 18.281 2.423 0.265 0.501 0.846 0.385 CA 1.953 Z: 10 17.037 2.318 0.431 0.541 0.889 0.333 CA 1.850 11 residues pruned to eliminate duplicates Z: 8 13.209 1.964 0.711 0.554 0.857 0.429 CA 1.644 8 residues pruned to eliminate duplicates Z: 156 107.279 2.450 0.623 0.729 0.961 0.748 CB 1.834 169 residues pruned to eliminate duplicates Z: 37 43.403 2.348 0.643 0.580 0.972 0.667 CB 1.786 Z: 11 22.680 2.315 0.408 0.748 1.000 0.300 CA 1.763 6 residues pruned to eliminate duplicates Z: 10 20.931 2.334 0.338 0.742 1.000 0.333 C 1.799 10 residues pruned to eliminate duplicates Z: 13 23.764 2.459 0.480 0.575 0.917 0.333 CB 1.913 13 residues pruned to eliminate duplicates Z: 32 46.972 2.435 0.685 0.676 0.935 0.645 CB 1.869 74 residues pruned to eliminate duplicates Z: 31 41.803 2.430 0.620 0.678 0.900 0.533 CB 1.828 31 residues pruned to eliminate duplicates Z: 119 86.939 2.401 0.657 0.687 0.941 0.686 CB 1.801 119 residues pruned to eliminate duplicates Z: 85 73.230 2.391 0.718 0.703 0.929 0.690 CB 1.740 85 residues pruned to eliminate duplicates Z: 58 58.752 2.397 0.718 0.650 0.895 0.614 CB 1.836 58 residues pruned to eliminate duplicates Z: 81 71.081 2.400 0.657 0.710 0.938 0.688 CB 1.761 81 residues pruned to eliminate duplicates Z: 79 75.566 2.416 0.711 0.689 0.974 0.667 CB 1.787 79 residues pruned to eliminate duplicates Z: 71 73.373 2.396 0.731 0.761 0.971 0.714 CB 1.726 71 residues pruned to eliminate duplicates Z: 17 45.110 2.444 0.850 0.866 1.000 0.812 CB 1.826 17 residues pruned to eliminate duplicates Z: 20 41.198 2.256 0.967 0.744 0.947 0.842 C 1.808 20 residues pruned to eliminate duplicates Z: 144 104.878 2.430 0.694 0.739 0.958 0.783 CB 1.795 144 residues pruned to eliminate duplicates Z: 110 80.533 2.360 0.723 0.664 0.945 0.661 CB 1.725 110 residues pruned to eliminate duplicates Z: 72 69.300 2.378 0.663 0.740 0.972 0.718 CB 1.726 72 residues pruned to eliminate duplicates Z: 58 57.449 2.376 0.621 0.652 0.947 0.667 CB 1.810 58 residues pruned to eliminate duplicates Z: 31 41.240 2.420 0.590 0.673 0.933 0.600 CB 1.787 31 residues pruned to eliminate duplicates Z: 16 40.638 2.490 0.623 0.907 1.000 0.867 CB 1.845 16 residues pruned to eliminate duplicates Z: 146 101.079 2.418 0.680 0.695 0.966 0.710 CB 1.791 146 residues pruned to eliminate duplicates Z: 39 52.630 2.465 0.667 0.774 0.947 0.763 CB 1.722 39 residues pruned to eliminate duplicates Z: 144 98.714 2.424 0.589 0.749 0.965 0.783 CB 1.778 144 residues pruned to eliminate duplicates Z: 147 93.943 2.396 0.624 0.682 0.966 0.692 CB 1.750 147 residues pruned to eliminate duplicates Z: 118 81.024 2.393 0.609 0.687 0.949 0.650 CB 1.727 118 residues pruned to eliminate duplicates Z: 106 85.610 2.398 0.679 0.706 0.971 0.686 CB 1.771 106 residues pruned to eliminate duplicates Z: 41 48.460 2.376 0.686 0.727 0.925 0.775 CB 1.685 41 residues pruned to eliminate duplicates Z: 142 105.087 2.453 0.617 0.756 0.979 0.773 CB 1.815 142 residues pruned to eliminate duplicates Z: 124 91.670 2.441 0.601 0.748 0.967 0.740 CB 1.752 124 residues pruned to eliminate duplicates Z: 144 108.583 2.447 0.667 0.740 0.979 0.741 CB 1.833 144 residues pruned to eliminate duplicates Z: 113 80.885 2.360 0.661 0.683 0.955 0.688 CB 1.725 113 residues pruned to eliminate duplicates Z: 145 91.742 2.377 0.695 0.650 0.951 0.674 CB 1.735 145 residues pruned to eliminate duplicates Z: 129 96.210 2.438 0.684 0.735 0.938 0.719 CB 1.789 129 residues pruned to eliminate duplicates Z: 87 73.929 2.342 0.761 0.688 0.942 0.709 CB 1.728 87 residues pruned to eliminate duplicates Z: 107 80.150 2.389 0.643 0.718 0.953 0.755 CB 1.709 107 residues pruned to eliminate duplicates Z: 143 106.612 2.448 0.685 0.749 0.972 0.796 CB 1.787 143 residues pruned to eliminate duplicates Z: 108 83.640 2.381 0.684 0.681 0.972 0.617 CB 1.757 108 residues pruned to eliminate duplicates Z: 91 73.911 2.395 0.664 0.695 0.944 0.711 CB 1.733 91 residues pruned to eliminate duplicates 328 residues left after pruning, divided into chains as follows: A: 88 B: 240 CC for partial structure against native data = 37.19 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.525, Connect. = 0.807 for dens.mod. cycle 1 = 0.300, Contrast = 0.581, Connect. = 0.819 for dens.mod. cycle 2 = 0.300, Contrast = 0.703, Connect. = 0.845 for dens.mod. cycle 3 = 0.300, Contrast = 0.709, Connect. = 0.847 for dens.mod. cycle 4 = 0.300, Contrast = 0.718, Connect. = 0.849 for dens.mod. cycle 5 = 0.300, Contrast = 0.722, Connect. = 0.850 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.851 for dens.mod. cycle 7 = 0.300, Contrast = 0.730, Connect. = 0.852 for dens.mod. cycle 8 = 0.300, Contrast = 0.733, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.735, Connect. = 0.853 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.30 - 2.61 - 2.28 - 2.07 - 1.92 - 1.80 - 1.71 - 1.64 - 1.57 - 1.51 0.719 0.765 0.770 0.746 0.708 0.661 0.623 0.571 0.492 0.452 0.883 0.908 0.897 0.864 0.819 0.758 0.705 0.646 0.562 0.517 N 6490 6517 6434 6486 6506 6894 6531 6096 7061 5541 Estimated mean FOM = 0.653 Pseudo-free CC = 67.92 % TimeTaking 357.18