null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:18:05 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: ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.ins Phases from ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.phi Native data from ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.hkl Listing output to ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.lst Phases output to ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.phs Poly-Ala trace output to ./2otm-1.9-parrot-hancs/2otm-1.9-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: C 1 2 1 Allowed origin shift code: 3 46757 Reflections read from file ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.phi 46757 Reflections read from file ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.hkl 46757 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000084h^2 -0.000036k^2 -0.000110l^2 +0.000000kl -0.000067hl +0.000000hk 15 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 256 x 128 x 64 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.701 = 0.300, Contrast = 0.522, Connect. = 0.745 for dens.mod. cycle 1 = 0.300, Contrast = 0.619, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.736, Connect. = 0.784 for dens.mod. cycle 3 = 0.300, Contrast = 0.766, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.778, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.784, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.787, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.790, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.790, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.791, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2022 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 517 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 19.992 2.230 0.856 0.626 0.846 0.846 CB 1.405 B: 15 27.569 2.328 1.265 0.642 0.857 0.786 CB 1.428 14 residues pruned to eliminate duplicates C: 50 34.780 2.114 0.672 0.531 0.980 0.571 CB 1.392 D: 16 37.781 2.362 0.952 0.929 1.000 0.733 CB 1.480 E: 20 29.741 2.199 0.453 0.886 1.000 0.842 CB 1.542 F: 27 29.674 2.274 0.841 0.461 0.923 0.577 CB 1.567 9 residues pruned to eliminate duplicates G: 18 31.743 2.199 0.644 0.892 0.941 0.765 CB 1.625 18 residues pruned to eliminate duplicates H: 26 33.705 2.233 1.103 0.492 0.880 0.560 CA 1.645 I: 25 33.783 2.324 0.903 0.471 0.958 0.458 CB 1.675 24 residues pruned to eliminate duplicates J: 18 24.573 2.187 0.542 0.872 0.882 0.765 CB 1.461 18 residues pruned to eliminate duplicates K: 19 30.421 2.280 0.481 0.900 1.000 0.778 CB 1.517 L: 45 38.728 2.188 0.731 0.591 0.909 0.659 CB 1.555 38 residues pruned to eliminate duplicates M: 18 36.106 2.211 0.794 0.912 1.000 0.765 CB 1.564 18 residues pruned to eliminate duplicates N: 17 31.478 2.287 0.546 0.907 0.938 0.875 CB 1.688 17 residues pruned to eliminate duplicates O: 64 57.156 2.277 0.984 0.597 0.952 0.667 CB 1.525 48 residues pruned to eliminate duplicates P: 50 32.080 2.000 0.814 0.493 0.918 0.612 CB 1.385 Q: 24 33.710 2.236 0.470 0.953 1.000 0.913 CB 1.472 R: 25 39.682 2.306 0.572 0.953 1.000 0.875 CB 1.538 16 residues pruned to eliminate duplicates S: 25 32.978 2.219 0.428 0.962 1.000 1.000 CB 1.453 25 residues pruned to eliminate duplicates T: 19 30.515 2.240 0.530 0.877 1.000 0.667 CB 1.524 19 residues pruned to eliminate duplicates U: 41 43.652 2.215 0.791 0.656 0.975 0.700 CB 1.545 41 residues pruned to eliminate duplicates V: 39 34.658 2.092 0.818 0.516 1.000 0.632 CB 1.455 39 residues pruned to eliminate duplicates W: 24 38.090 2.277 0.578 0.960 1.000 0.957 CB 1.514 24 residues pruned to eliminate duplicates X: 91 55.995 2.227 0.950 0.557 0.911 0.500 CB 1.411 54 residues pruned to eliminate duplicates Y: 24 25.310 2.290 0.778 0.350 0.913 0.391 CB 1.671 24 residues pruned to eliminate duplicates Z: 54 51.451 2.301 0.981 0.590 0.943 0.736 CB 1.508 54 residues pruned to eliminate duplicates Z: 43 37.312 2.101 0.805 0.631 0.976 0.714 CB 1.375 37 residues pruned to eliminate duplicates Z: 26 43.826 2.238 0.911 0.951 0.960 0.880 CB 1.471 24 residues pruned to eliminate duplicates Z: 50 31.911 2.019 0.835 0.509 0.878 0.571 CB 1.390 50 residues pruned to eliminate duplicates Z: 27 37.446 2.239 0.924 0.525 1.000 0.731 CB 1.663 26 residues pruned to eliminate duplicates Z: 8 10.161 2.050 0.654 0.435 0.857 0.571 CB 1.413 8 residues pruned to eliminate duplicates Z: 25 29.694 2.108 0.377 0.939 1.000 0.917 CB 1.452 Z: 19 36.060 2.274 0.859 0.893 0.944 0.722 CB 1.528 19 residues pruned to eliminate duplicates Z: 20 28.428 2.310 1.000 0.403 0.895 0.526 CB 1.747 20 residues pruned to eliminate duplicates Z: 17 38.449 2.310 0.770 0.904 1.000 0.688 CB 1.674 17 residues pruned to eliminate duplicates Z: 18 33.866 2.207 0.886 0.886 1.000 0.882 CA 1.425 18 residues pruned to eliminate duplicates Z: 60 50.205 2.227 0.988 0.573 0.898 0.678 CB 1.532 60 residues pruned to eliminate duplicates Z: 21 48.303 2.343 1.134 0.946 1.000 0.650 CB 1.494 21 residues pruned to eliminate duplicates Z: 17 31.524 2.285 0.641 0.903 0.938 0.688 CB 1.597 17 residues pruned to eliminate duplicates Z: 41 44.264 2.234 0.822 0.665 0.950 0.625 CB 1.554 41 residues pruned to eliminate duplicates Z: 23 30.377 2.190 0.555 0.946 1.000 0.909 CB 1.315 23 residues pruned to eliminate duplicates Z: 53 29.975 2.046 0.714 0.518 0.904 0.538 CB 1.288 9 residues pruned to eliminate duplicates Z: 47 20.001 1.806 0.715 0.403 0.891 0.500 CB 1.183 Z: 21 22.090 2.078 0.483 0.802 0.950 0.850 CB 1.296 21 residues pruned to eliminate duplicates Z: 15 37.210 2.383 1.097 0.937 0.929 0.857 CB 1.491 15 residues pruned to eliminate duplicates Z: 17 34.593 2.206 0.592 0.935 1.000 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 26 29.819 2.267 0.795 0.462 0.960 0.600 CB 1.587 26 residues pruned to eliminate duplicates Z: 25 35.495 2.078 0.832 0.938 0.958 0.792 CB 1.381 24 residues pruned to eliminate duplicates Z: 19 30.266 2.125 0.621 0.920 1.000 0.889 CB 1.458 19 residues pruned to eliminate duplicates Z: 41 28.984 2.013 0.713 0.467 0.975 0.525 CB 1.410 88 residues pruned to eliminate duplicates Z: 17 27.955 2.315 0.461 0.935 1.000 0.750 CB 1.440 17 residues pruned to eliminate duplicates Z: 19 34.927 2.216 0.718 0.902 0.944 0.556 CB 1.632 19 residues pruned to eliminate duplicates Z: 61 39.503 2.219 0.775 0.553 0.867 0.617 CB 1.418 54 residues pruned to eliminate duplicates Z: 27 40.522 2.121 0.969 0.926 0.962 0.769 CB 1.388 27 residues pruned to eliminate duplicates Z: 45 32.391 2.049 0.748 0.496 1.000 0.568 CB 1.369 45 residues pruned to eliminate duplicates Z: 64 46.435 2.170 0.761 0.583 0.937 0.651 CB 1.509 63 residues pruned to eliminate duplicates Z: 11 16.527 1.872 0.466 0.862 1.000 0.700 CB 1.398 11 residues pruned to eliminate duplicates Z: 34 26.448 2.033 0.678 0.455 1.000 0.576 CB 1.413 34 residues pruned to eliminate duplicates Z: 24 49.065 2.276 1.064 0.939 1.000 0.652 CB 1.514 24 residues pruned to eliminate duplicates Z: 27 35.116 2.311 1.007 0.525 0.923 0.692 CB 1.568 27 residues pruned to eliminate duplicates Z: 66 47.091 2.258 0.835 0.553 0.892 0.615 CB 1.500 66 residues pruned to eliminate duplicates Z: 9 22.220 2.103 0.814 0.873 1.000 0.875 CB 1.500 9 residues pruned to eliminate duplicates Z: 19 33.283 2.226 0.787 0.851 0.944 0.556 CB 1.546 19 residues pruned to eliminate duplicates Z: 25 50.397 2.295 1.033 0.944 1.000 0.792 CB 1.526 25 residues pruned to eliminate duplicates Z: 44 35.174 2.127 0.796 0.530 0.953 0.628 CB 1.430 44 residues pruned to eliminate duplicates Z: 20 31.367 2.253 0.508 0.877 1.000 0.684 CB 1.538 20 residues pruned to eliminate duplicates Z: 18 31.228 2.264 0.985 0.504 1.000 0.647 CB 1.678 18 residues pruned to eliminate duplicates Z: 24 34.355 2.110 0.781 0.943 1.000 0.957 CB 1.320 24 residues pruned to eliminate duplicates Z: 25 35.001 2.332 0.923 0.443 1.000 0.542 CB 1.690 25 residues pruned to eliminate duplicates Z: 18 31.837 2.172 0.490 0.910 1.000 0.824 CB 1.692 18 residues pruned to eliminate duplicates Z: 24 25.695 2.109 0.295 0.932 1.000 0.870 CB 1.369 24 residues pruned to eliminate duplicates Z: 90 40.020 2.010 0.664 0.509 0.944 0.573 CB 1.332 100 residues pruned to eliminate duplicates Z: 63 45.828 2.250 0.799 0.542 0.903 0.581 CB 1.527 63 residues pruned to eliminate duplicates Z: 20 30.928 2.118 0.892 0.885 0.947 0.526 CB 1.349 20 residues pruned to eliminate duplicates Z: 23 35.761 2.341 0.898 0.489 1.000 0.636 CA 1.735 23 residues pruned to eliminate duplicates Z: 20 30.416 2.204 0.507 0.868 0.947 0.632 CB 1.621 20 residues pruned to eliminate duplicates Z: 26 52.106 2.206 1.407 0.946 1.000 0.440 CB 1.357 26 residues pruned to eliminate duplicates Z: 9 18.110 2.087 0.697 0.898 1.000 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 19 33.998 2.281 0.664 0.899 0.944 0.833 CB 1.599 19 residues pruned to eliminate duplicates Z: 24 54.467 2.305 1.434 0.940 1.000 0.348 CB 1.406 24 residues pruned to eliminate duplicates Z: 38 42.191 2.241 1.095 0.512 0.946 0.703 CB 1.543 38 residues pruned to eliminate duplicates Z: 24 43.151 2.296 0.936 0.921 0.957 0.739 CB 1.490 24 residues pruned to eliminate duplicates Z: 25 25.518 2.190 0.287 0.948 1.000 1.000 CB 1.276 25 residues pruned to eliminate duplicates Z: 26 51.378 2.233 1.200 0.920 1.000 0.720 CB 1.473 26 residues pruned to eliminate duplicates Z: 37 36.401 2.123 0.711 0.675 1.000 0.750 CB 1.422 37 residues pruned to eliminate duplicates Z: 21 34.297 2.392 0.985 0.442 1.000 0.650 CB 1.715 21 residues pruned to eliminate duplicates Z: 18 28.034 2.061 0.600 0.889 1.000 0.941 CB 1.484 18 residues pruned to eliminate duplicates Z: 25 48.412 2.285 1.158 0.945 0.958 0.625 CB 1.447 25 residues pruned to eliminate duplicates Z: 25 53.361 2.324 1.143 0.955 1.000 0.708 CB 1.503 25 residues pruned to eliminate duplicates Z: 24 29.705 2.239 0.814 0.460 0.957 0.609 CA 1.661 24 residues pruned to eliminate duplicates Z: 10 15.711 1.934 0.333 0.859 1.000 0.889 CA 1.495 10 residues pruned to eliminate duplicates Z: 43 16.391 1.850 0.529 0.384 0.833 0.500 CB 1.214 Z: 41 38.000 2.219 0.803 0.631 0.925 0.600 CB 1.435 41 residues pruned to eliminate duplicates Z: 19 31.950 2.237 0.714 0.850 0.944 0.722 CB 1.541 19 residues pruned to eliminate duplicates Z: 23 46.959 2.339 1.185 0.948 0.955 0.591 CB 1.417 23 residues pruned to eliminate duplicates Z: 11 12.744 2.017 0.347 0.866 0.800 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 24 55.087 2.353 1.243 0.960 1.000 0.739 CB 1.490 24 residues pruned to eliminate duplicates Z: 24 32.780 2.105 0.597 0.949 1.000 0.783 CB 1.404 24 residues pruned to eliminate duplicates Z: 25 34.903 2.252 0.894 0.517 0.958 0.542 CB 1.713 25 residues pruned to eliminate duplicates Z: 9 14.240 2.066 0.735 0.766 0.750 0.625 CB 1.479 9 residues pruned to eliminate duplicates Z: 7 11.756 2.005 0.943 0.623 0.833 0.833 CB 1.316 7 residues pruned to eliminate duplicates Z: 28 18.003 1.914 0.785 0.491 0.889 0.444 CB 1.151 28 residues pruned to eliminate duplicates Z: 19 30.357 2.259 0.472 0.903 1.000 0.667 CB 1.534 19 residues pruned to eliminate duplicates Z: 25 43.998 2.288 0.994 0.952 0.917 0.667 CB 1.480 25 residues pruned to eliminate duplicates Z: 25 49.640 2.273 1.032 0.946 1.000 0.708 CB 1.517 25 residues pruned to eliminate duplicates Z: 25 39.589 2.111 1.241 0.902 0.917 0.417 CB 1.329 26 residues pruned to eliminate duplicates Z: 24 45.016 2.167 1.124 0.950 1.000 0.696 CB 1.407 24 residues pruned to eliminate duplicates Z: 17 29.806 2.133 0.581 0.922 1.000 0.875 CB 1.554 17 residues pruned to eliminate duplicates Z: 10 16.950 1.988 0.658 0.906 0.889 0.778 CB 1.371 10 residues pruned to eliminate duplicates Z: 25 52.741 2.279 1.450 0.917 0.917 0.417 CB 1.484 25 residues pruned to eliminate duplicates Z: 24 29.569 2.314 0.858 0.466 0.870 0.652 CB 1.708 24 residues pruned to eliminate duplicates Z: 17 38.984 2.331 0.761 0.926 1.000 0.812 CB 1.664 17 residues pruned to eliminate duplicates Z: 24 36.396 2.137 0.823 0.946 0.957 0.783 CB 1.409 24 residues pruned to eliminate duplicates Z: 19 29.045 2.223 0.481 0.895 0.944 0.833 CB 1.578 19 residues pruned to eliminate duplicates Z: 49 34.121 2.073 0.811 0.503 0.938 0.583 CB 1.396 50 residues pruned to eliminate duplicates Z: 32 15.041 1.778 0.540 0.406 0.903 0.516 CB 1.205 32 residues pruned to eliminate duplicates Z: 24 48.312 2.319 1.046 0.946 0.957 0.783 CB 1.535 24 residues pruned to eliminate duplicates Z: 18 29.710 2.201 0.772 0.520 1.000 0.706 CA 1.810 18 residues pruned to eliminate duplicates Z: 26 42.383 2.205 0.975 0.943 0.920 0.880 CB 1.466 26 residues pruned to eliminate duplicates Z: 24 43.356 2.295 0.788 0.949 1.000 0.826 CB 1.520 24 residues pruned to eliminate duplicates Z: 9 23.769 2.085 0.754 0.904 1.000 1.000 CB 1.637 9 residues pruned to eliminate duplicates Z: 25 37.846 2.295 1.086 0.496 0.958 0.708 CB 1.691 25 residues pruned to eliminate duplicates Z: 25 26.468 2.124 0.298 0.935 1.000 0.917 CB 1.366 26 residues pruned to eliminate duplicates Z: 41 18.176 1.870 0.658 0.422 0.900 0.550 CB 1.118 41 residues pruned to eliminate duplicates Z: 27 26.892 2.083 1.007 0.522 0.962 0.731 CB 1.283 27 residues pruned to eliminate duplicates Z: 9 16.980 2.065 0.676 0.894 0.875 0.625 CB 1.423 9 residues pruned to eliminate duplicates Z: 16 22.737 2.069 0.622 0.858 0.933 0.667 CB 1.381 16 residues pruned to eliminate duplicates Z: 19 31.545 2.247 0.504 0.893 1.000 0.667 CB 1.580 19 residues pruned to eliminate duplicates Z: 22 33.236 2.289 1.115 0.425 0.952 0.571 CB 1.701 22 residues pruned to eliminate duplicates Z: 14 23.295 2.112 1.148 0.486 0.923 0.615 CA 1.564 14 residues pruned to eliminate duplicates Z: 19 29.496 2.127 0.628 0.869 1.000 0.722 CB 1.466 19 residues pruned to eliminate duplicates Z: 84 31.277 1.905 0.701 0.466 0.880 0.506 CB 1.247 88 residues pruned to eliminate duplicates Z: 15 33.854 2.126 1.290 0.944 1.000 0.714 CB 1.287 15 residues pruned to eliminate duplicates Z: 45 37.605 2.186 0.879 0.590 0.886 0.659 CB 1.429 45 residues pruned to eliminate duplicates Z: 9 18.134 2.134 0.825 0.685 1.000 0.875 CB 1.389 Z: 61 44.591 2.120 0.789 0.548 0.967 0.567 CB 1.499 61 residues pruned to eliminate duplicates Z: 20 51.852 2.343 1.262 0.949 0.947 0.684 CB 1.635 20 residues pruned to eliminate duplicates Z: 6 10.457 1.860 0.529 0.821 1.000 0.400 CA 1.245 6 residues pruned to eliminate duplicates Z: 25 26.495 2.267 0.715 0.465 0.875 0.583 CA 1.647 25 residues pruned to eliminate duplicates Z: 21 11.023 1.881 0.597 0.344 0.800 0.400 CB 1.215 21 residues pruned to eliminate duplicates Z: 28 35.503 2.222 0.990 0.502 0.926 0.667 CA 1.666 28 residues pruned to eliminate duplicates Z: 18 28.714 2.152 0.575 0.898 1.000 0.824 CB 1.471 18 residues pruned to eliminate duplicates Z: 20 27.202 2.224 0.430 0.867 0.947 0.789 CB 1.515 20 residues pruned to eliminate duplicates Z: 10 15.379 1.941 0.581 0.868 1.000 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 61 48.507 2.209 0.691 0.594 0.967 0.667 CB 1.585 61 residues pruned to eliminate duplicates Z: 62 44.215 2.167 0.643 0.566 0.951 0.689 CB 1.568 62 residues pruned to eliminate duplicates Z: 26 34.070 2.235 0.810 0.546 0.960 0.720 CB 1.678 26 residues pruned to eliminate duplicates Z: 51 27.043 2.043 0.694 0.449 0.900 0.500 CB 1.294 51 residues pruned to eliminate duplicates Z: 16 35.877 2.292 0.679 0.902 1.000 0.867 CB 1.717 16 residues pruned to eliminate duplicates Z: 24 46.550 2.296 1.052 0.948 0.957 0.783 CB 1.487 24 residues pruned to eliminate duplicates Z: 12 16.715 1.824 0.538 0.857 1.000 0.727 CB 1.324 12 residues pruned to eliminate duplicates Z: 52 34.051 2.060 0.802 0.476 0.922 0.588 CB 1.427 52 residues pruned to eliminate duplicates Z: 19 23.543 2.079 0.377 0.865 0.944 0.722 CB 1.504 19 residues pruned to eliminate duplicates Z: 41 39.161 2.189 0.802 0.659 0.900 0.650 CB 1.505 91 residues pruned to eliminate duplicates Z: 23 54.948 2.338 1.467 0.959 0.955 0.500 CB 1.459 23 residues pruned to eliminate duplicates Z: 24 34.884 2.343 0.865 0.491 0.957 0.652 CB 1.756 Z: 39 27.769 2.057 0.729 0.525 0.895 0.500 CB 1.381 39 residues pruned to eliminate duplicates Z: 24 38.181 2.183 0.776 0.940 1.000 0.913 CB 1.425 24 residues pruned to eliminate duplicates Z: 17 36.968 2.313 0.703 0.936 1.000 0.875 CB 1.634 17 residues pruned to eliminate duplicates Z: 23 39.497 2.165 0.944 0.946 0.955 0.636 CB 1.450 23 residues pruned to eliminate duplicates Z: 43 31.026 1.957 0.787 0.454 0.952 0.524 CA 1.507 43 residues pruned to eliminate duplicates Z: 52 29.026 2.085 0.673 0.474 0.902 0.510 CB 1.326 52 residues pruned to eliminate duplicates Z: 64 48.503 2.226 0.789 0.562 0.952 0.667 CB 1.518 27 residues pruned to eliminate duplicates Z: 6 14.605 1.911 0.634 0.799 1.000 0.600 CB 1.610 6 residues pruned to eliminate duplicates Z: 52 40.085 2.150 0.787 0.603 0.902 0.686 CB 1.469 52 residues pruned to eliminate duplicates Z: 9 23.537 2.037 1.177 0.912 0.875 0.750 CB 1.518 9 residues pruned to eliminate duplicates Z: 26 25.320 2.034 0.823 0.576 1.000 0.440 CB 1.269 26 residues pruned to eliminate duplicates Z: 59 61.646 2.330 0.961 0.629 0.966 0.690 CB 1.625 62 residues pruned to eliminate duplicates Z: 25 56.238 2.308 1.155 0.956 1.000 0.667 CB 1.586 25 residues pruned to eliminate duplicates Z: 43 41.637 2.242 0.726 0.632 0.976 0.690 CB 1.502 43 residues pruned to eliminate duplicates Z: 26 47.932 2.169 1.395 0.921 0.960 0.400 CB 1.352 26 residues pruned to eliminate duplicates Z: 24 24.248 1.981 0.706 0.624 0.913 0.696 CB 1.458 24 residues pruned to eliminate duplicates Z: 40 28.810 1.989 0.847 0.507 0.923 0.538 CB 1.350 40 residues pruned to eliminate duplicates Z: 27 22.247 1.905 0.813 0.538 0.885 0.538 CB 1.376 27 residues pruned to eliminate duplicates Z: 24 61.142 2.339 1.626 0.953 0.957 0.304 CB 1.493 24 residues pruned to eliminate duplicates Z: 81 50.007 2.078 1.009 0.558 0.913 0.388 CB 1.388 50 residues pruned to eliminate duplicates Z: 38 27.557 2.036 0.724 0.539 0.946 0.649 CB 1.314 38 residues pruned to eliminate duplicates Z: 23 32.366 2.122 0.780 0.936 0.955 0.682 CB 1.333 23 residues pruned to eliminate duplicates Z: 39 17.708 1.896 0.532 0.438 0.895 0.526 CB 1.179 39 residues pruned to eliminate duplicates Z: 18 32.862 2.107 1.146 0.930 0.941 0.529 CB 1.310 18 residues pruned to eliminate duplicates Z: 26 30.026 2.268 0.937 0.573 0.880 0.680 CB 1.447 26 residues pruned to eliminate duplicates Z: 9 15.918 1.909 0.930 0.599 1.000 0.625 CA 1.389 9 residues pruned to eliminate duplicates Z: 50 38.179 2.098 0.832 0.505 0.959 0.571 CB 1.472 50 residues pruned to eliminate duplicates Z: 24 42.305 2.159 1.060 0.943 1.000 0.522 CB 1.374 24 residues pruned to eliminate duplicates Z: 19 32.898 2.258 0.799 0.894 0.944 0.611 CB 1.449 19 residues pruned to eliminate duplicates Z: 34 17.539 1.762 0.699 0.522 0.909 0.636 CB 1.098 34 residues pruned to eliminate duplicates Z: 24 43.734 2.324 0.793 0.948 1.000 0.826 CB 1.511 24 residues pruned to eliminate duplicates Z: 26 51.465 2.226 1.127 0.946 1.000 0.760 CB 1.503 26 residues pruned to eliminate duplicates Z: 28 38.052 2.157 0.767 0.830 1.000 0.889 CB 1.445 25 residues pruned to eliminate duplicates Z: 19 27.167 2.100 0.619 0.878 0.944 0.611 CB 1.447 19 residues pruned to eliminate duplicates Z: 25 48.843 2.234 1.166 0.939 0.958 0.625 CB 1.494 25 residues pruned to eliminate duplicates Z: 10 14.736 2.044 0.383 0.873 0.889 0.778 CB 1.424 10 residues pruned to eliminate duplicates Z: 10 16.755 2.120 0.715 0.713 1.000 0.667 CB 1.266 71 residues pruned to eliminate duplicates Z: 24 52.173 2.276 1.178 0.949 1.000 0.609 CB 1.515 24 residues pruned to eliminate duplicates Z: 24 41.275 2.298 0.967 0.926 0.957 0.783 CB 1.396 24 residues pruned to eliminate duplicates Z: 46 47.269 2.205 1.204 0.638 0.889 0.489 CB 1.433 46 residues pruned to eliminate duplicates Z: 26 18.218 2.074 0.351 0.629 0.840 0.560 CB 1.370 26 residues pruned to eliminate duplicates Z: 26 55.056 2.232 1.370 0.953 0.960 0.720 CB 1.492 26 residues pruned to eliminate duplicates Z: 37 39.792 2.220 0.669 0.748 0.944 0.833 CB 1.519 37 residues pruned to eliminate duplicates Z: 10 23.138 1.940 1.034 0.884 1.000 0.667 CB 1.412 10 residues pruned to eliminate duplicates Z: 24 42.193 2.176 0.975 0.951 1.000 0.696 CB 1.411 24 residues pruned to eliminate duplicates Z: 51 32.993 2.015 0.759 0.540 0.900 0.580 CB 1.406 51 residues pruned to eliminate duplicates Z: 19 30.509 2.192 0.586 0.884 0.944 0.833 CB 1.582 Z: 24 37.302 2.163 0.855 0.945 0.957 0.870 CB 1.402 24 residues pruned to eliminate duplicates Z: 26 27.229 2.049 1.013 0.467 0.880 0.680 CB 1.551 26 residues pruned to eliminate duplicates Z: 20 32.033 2.202 0.732 0.848 0.947 0.684 CB 1.509 19 residues pruned to eliminate duplicates Z: 10 3.859 1.657 -0.195 0.403 0.889 0.222 N 1.201 Z: 10 11.507 1.906 0.657 0.594 1.000 0.778 CB 1.110 10 residues pruned to eliminate duplicates Z: 17 23.221 2.094 0.611 0.852 0.875 0.500 CB 1.455 17 residues pruned to eliminate duplicates Z: 51 27.355 2.026 0.682 0.498 0.900 0.460 CB 1.264 51 residues pruned to eliminate duplicates Z: 17 8.364 1.654 0.444 0.535 0.938 0.562 CB 0.902 17 residues pruned to eliminate duplicates Z: 43 30.575 1.997 0.641 0.596 0.929 0.619 CB 1.415 43 residues pruned to eliminate duplicates Z: 10 17.862 2.014 0.722 0.877 1.000 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 24 37.875 2.160 0.923 0.944 0.957 0.696 CB 1.377 24 residues pruned to eliminate duplicates Z: 11 16.637 2.005 1.236 0.629 0.800 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 45 31.670 2.037 0.803 0.513 0.886 0.568 CB 1.448 45 residues pruned to eliminate duplicates Z: 6 2.560 1.644 0.210 0.657 0.800 0.400 CB 0.622 Z: 47 28.975 2.070 0.724 0.487 0.913 0.500 CB 1.328 47 residues pruned to eliminate duplicates Z: 91 49.843 2.164 0.765 0.568 0.889 0.622 CB 1.449 91 residues pruned to eliminate duplicates Z: 22 21.597 2.033 0.625 0.664 0.952 0.667 CB 1.287 22 residues pruned to eliminate duplicates Z: 21 22.141 2.179 0.988 0.421 0.850 0.500 CB 1.460 21 residues pruned to eliminate duplicates Z: 52 31.731 2.061 0.657 0.494 0.941 0.549 CB 1.391 52 residues pruned to eliminate duplicates Z: 26 48.047 2.190 1.227 0.946 0.960 0.480 CB 1.420 26 residues pruned to eliminate duplicates Z: 7 3.354 1.794 -0.231 0.386 0.833 0.333 O 1.343 Z: 26 36.021 2.228 0.941 0.516 1.000 0.720 CA 1.638 26 residues pruned to eliminate duplicates Z: 28 38.294 2.129 0.841 0.830 1.000 0.852 CB 1.414 28 residues pruned to eliminate duplicates Z: 33 38.417 2.195 0.715 0.707 0.969 0.750 CB 1.543 20 residues pruned to eliminate duplicates Z: 17 31.541 2.314 0.593 0.906 0.938 0.875 CB 1.623 17 residues pruned to eliminate duplicates Z: 51 31.533 2.081 0.736 0.485 0.920 0.500 CB 1.362 51 residues pruned to eliminate duplicates Z: 45 23.675 1.929 0.705 0.427 0.864 0.523 CB 1.356 45 residues pruned to eliminate duplicates Z: 24 36.181 2.169 0.803 0.956 0.957 0.783 CB 1.385 24 residues pruned to eliminate duplicates Z: 39 30.628 2.081 0.801 0.541 0.947 0.500 CB 1.344 39 residues pruned to eliminate duplicates Z: 20 23.915 2.048 0.605 0.823 0.895 0.632 CB 1.410 20 residues pruned to eliminate duplicates Z: 51 49.896 2.157 1.345 0.618 0.900 0.500 CB 1.386 51 residues pruned to eliminate duplicates Z: 40 37.590 2.237 0.699 0.622 0.974 0.513 CB 1.449 38 residues pruned to eliminate duplicates Z: 62 40.396 2.225 0.736 0.529 0.934 0.607 CB 1.393 62 residues pruned to eliminate duplicates Z: 6 9.898 1.743 0.574 0.828 1.000 0.600 CA 1.215 6 residues pruned to eliminate duplicates Z: 22 24.329 2.024 0.765 0.674 1.000 0.667 CB 1.265 22 residues pruned to eliminate duplicates Z: 39 27.842 2.025 0.736 0.531 0.921 0.605 CB 1.353 39 residues pruned to eliminate duplicates Z: 7 11.993 1.856 0.910 0.825 0.833 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 6 14.594 1.937 1.002 0.764 1.000 0.600 CA 1.332 6 residues pruned to eliminate duplicates Z: 51 32.668 2.081 0.741 0.509 0.940 0.520 CB 1.345 51 residues pruned to eliminate duplicates Z: 14 23.616 2.050 0.596 0.894 1.000 0.923 CA 1.436 14 residues pruned to eliminate duplicates Z: 24 35.776 2.149 0.916 0.932 0.957 0.478 CB 1.322 24 residues pruned to eliminate duplicates Z: 10 13.673 1.945 0.573 0.904 0.889 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 27 34.140 2.185 0.826 0.719 0.962 0.885 CB 1.432 27 residues pruned to eliminate duplicates Z: 9 15.784 2.004 0.532 0.861 1.000 0.875 CB 1.336 9 residues pruned to eliminate duplicates Z: 132 49.958 2.044 0.769 0.532 0.901 0.588 CB 1.299 135 residues pruned to eliminate duplicates Z: 8 3.394 1.881 0.705 0.196 0.714 0.571 CB 0.804 Z: 25 37.600 2.106 0.929 0.947 0.958 0.542 CB 1.362 25 residues pruned to eliminate duplicates Z: 6 5.089 1.853 -0.318 0.691 1.000 0.800 CB 1.511 Z: 43 34.945 2.220 0.696 0.623 0.905 0.690 CB 1.409 43 residues pruned to eliminate duplicates Z: 36 25.899 1.905 0.805 0.548 0.971 0.543 CB 1.251 36 residues pruned to eliminate duplicates Z: 52 29.036 2.030 0.670 0.516 0.882 0.510 CB 1.337 52 residues pruned to eliminate duplicates Z: 24 36.768 2.150 0.757 0.938 1.000 0.826 CB 1.411 24 residues pruned to eliminate duplicates Z: 8 3.808 1.583 0.532 0.303 0.857 0.571 CB 0.863 8 residues pruned to eliminate duplicates Z: 26 27.102 2.125 0.694 0.524 0.960 0.640 CB 1.532 15 residues pruned to eliminate duplicates Z: 6 3.982 1.613 0.602 0.573 1.000 0.600 CB 0.642 Z: 51 27.910 2.031 0.663 0.487 0.880 0.520 CB 1.347 51 residues pruned to eliminate duplicates Z: 7 16.720 2.158 0.582 0.897 1.000 1.000 CB 1.430 7 residues pruned to eliminate duplicates Z: 24 43.100 2.181 1.219 0.950 0.957 0.652 CB 1.340 24 residues pruned to eliminate duplicates Z: 19 30.428 2.235 0.612 0.877 1.000 0.556 CB 1.445 19 residues pruned to eliminate duplicates Z: 36 32.558 2.153 0.788 0.606 0.886 0.600 CB 1.459 36 residues pruned to eliminate duplicates Z: 19 27.980 2.096 0.749 0.883 0.889 0.722 CB 1.464 19 residues pruned to eliminate duplicates Z: 9 10.257 2.023 0.274 0.852 0.875 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 71 41.124 2.138 0.769 0.538 0.900 0.571 CB 1.391 71 residues pruned to eliminate duplicates Z: 24 12.765 1.892 0.593 0.200 0.870 0.348 CA 1.452 34 residues pruned to eliminate duplicates Z: 130 57.079 2.145 0.712 0.578 0.891 0.643 CB 1.424 130 residues pruned to eliminate duplicates Z: 42 28.701 2.021 0.636 0.492 1.000 0.488 CB 1.366 42 residues pruned to eliminate duplicates Z: 39 44.473 2.233 0.866 0.682 0.974 0.711 CB 1.505 39 residues pruned to eliminate duplicates Z: 12 10.068 1.790 0.381 0.611 0.818 0.545 CB 1.351 12 residues pruned to eliminate duplicates Z: 77 44.344 2.119 0.801 0.513 0.921 0.645 CB 1.428 126 residues pruned to eliminate duplicates Z: 38 32.587 2.083 0.856 0.542 0.946 0.595 CB 1.406 38 residues pruned to eliminate duplicates Z: 13 11.686 1.922 0.262 0.532 0.833 0.750 CB 1.616 Z: 43 26.361 2.078 0.401 0.589 0.929 0.571 CB 1.382 43 residues pruned to eliminate duplicates Z: 8 3.190 1.717 0.378 0.181 0.714 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 10 17.115 1.979 0.386 0.906 1.000 1.000 CB 1.480 10 residues pruned to eliminate duplicates Z: 9 10.449 1.949 0.647 0.799 0.750 0.375 CB 1.181 9 residues pruned to eliminate duplicates Z: 17 31.226 2.052 0.999 0.920 1.000 0.562 CB 1.341 17 residues pruned to eliminate duplicates Z: 6 3.546 1.629 0.437 0.525 0.800 0.600 CB 0.826 Z: 44 15.564 1.749 0.505 0.364 0.953 0.442 CB 1.095 44 residues pruned to eliminate duplicates Z: 131 58.605 2.164 0.740 0.588 0.885 0.577 CB 1.418 131 residues pruned to eliminate duplicates Z: 7 2.531 1.562 0.828 0.235 0.667 0.333 CB 0.738 7 residues pruned to eliminate duplicates Z: 11 18.339 1.881 0.827 0.893 0.900 0.700 CB 1.346 11 residues pruned to eliminate duplicates Z: 18 30.111 2.245 0.457 0.905 1.000 0.824 CB 1.588 18 residues pruned to eliminate duplicates Z: 15 18.355 2.025 0.844 0.505 0.929 0.857 CB 1.408 15 residues pruned to eliminate duplicates Z: 16 7.560 1.674 0.234 0.428 0.733 0.333 CB 1.389 19 residues pruned to eliminate duplicates Z: 25 42.359 2.307 0.986 0.585 1.000 0.750 CA 1.740 25 residues pruned to eliminate duplicates Z: 17 32.107 2.153 0.741 0.918 0.938 0.812 CB 1.611 17 residues pruned to eliminate duplicates Z: 19 37.858 2.216 0.982 0.896 1.000 0.833 CB 1.456 19 residues pruned to eliminate duplicates Z: 24 35.106 2.110 1.079 0.948 0.957 0.304 CB 1.204 24 residues pruned to eliminate duplicates Z: 24 45.319 2.133 1.253 0.958 1.000 0.391 CB 1.349 24 residues pruned to eliminate duplicates Z: 7 4.737 1.607 0.497 0.371 0.833 0.833 N 1.108 Z: 45 52.396 2.233 1.290 0.644 0.909 0.545 CB 1.485 45 residues pruned to eliminate duplicates Z: 12 5.882 1.676 0.091 0.552 0.727 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 9 15.414 2.084 0.988 0.753 0.875 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 20 32.467 2.313 0.447 0.918 1.000 0.895 CB 1.570 20 residues pruned to eliminate duplicates Z: 8 3.403 1.547 -0.199 0.675 0.857 0.714 C 1.031 Z: 21 13.397 1.919 0.525 0.438 0.850 0.400 CB 1.284 21 residues pruned to eliminate duplicates Z: 44 40.947 2.158 0.886 0.613 0.953 0.674 CB 1.446 44 residues pruned to eliminate duplicates Z: 9 3.567 1.482 0.330 0.477 0.750 0.625 N 0.872 6 residues pruned to eliminate duplicates Z: 9 3.264 1.612 0.748 0.173 0.500 0.500 C 1.218 9 residues pruned to eliminate duplicates Z: 47 31.569 2.112 0.741 0.534 0.870 0.674 CB 1.407 47 residues pruned to eliminate duplicates Z: 34 21.716 1.924 0.672 0.555 0.939 0.606 CB 1.186 34 residues pruned to eliminate duplicates Z: 25 33.828 2.200 0.600 0.884 0.958 0.792 CB 1.479 25 residues pruned to eliminate duplicates Z: 39 33.699 2.011 0.909 0.498 0.947 0.526 CB 1.507 39 residues pruned to eliminate duplicates Z: 20 13.315 1.981 0.638 0.390 0.842 0.579 CB 1.256 20 residues pruned to eliminate duplicates Z: 25 45.874 2.221 1.156 0.935 0.958 0.625 CB 1.422 25 residues pruned to eliminate duplicates Z: 19 29.559 2.183 0.507 0.878 0.944 0.889 CB 1.627 Z: 10 21.440 1.927 1.035 0.900 0.889 0.889 CB 1.464 10 residues pruned to eliminate duplicates Z: 10 3.679 1.380 0.215 0.546 0.778 0.778 CB 0.899 Z: 38 33.914 2.162 0.830 0.600 0.892 0.622 CB 1.436 38 residues pruned to eliminate duplicates Z: 85 57.260 2.179 1.061 0.592 0.893 0.464 CB 1.426 85 residues pruned to eliminate duplicates Z: 7 5.116 2.008 0.532 0.749 0.500 0.333 CB 1.087 7 residues pruned to eliminate duplicates Z: 7 3.915 1.786 -0.228 0.591 0.833 0.833 O 1.274 6 residues pruned to eliminate duplicates Z: 32 17.430 1.824 0.475 0.485 0.903 0.516 CB 1.307 38 residues pruned to eliminate duplicates Z: 23 27.056 2.150 0.346 0.951 1.000 0.955 CB 1.374 23 residues pruned to eliminate duplicates Z: 6 4.368 1.762 0.236 0.767 0.800 0.400 CB 0.885 Z: 13 22.273 2.203 0.859 0.615 0.917 0.833 CA 1.537 13 residues pruned to eliminate duplicates Z: 24 37.242 2.286 0.698 0.904 0.957 0.652 CB 1.490 24 residues pruned to eliminate duplicates Z: 24 18.926 1.987 0.637 0.620 0.913 0.609 CB 1.186 24 residues pruned to eliminate duplicates Z: 14 7.837 1.893 0.478 0.363 0.846 0.692 CB 1.064 14 residues pruned to eliminate duplicates Z: 11 4.565 1.468 0.773 0.318 0.800 0.300 CB 0.848 Z: 18 16.390 2.004 0.607 0.459 0.941 0.765 CB 1.368 Z: 52 37.892 2.189 0.689 0.612 0.922 0.725 CB 1.400 52 residues pruned to eliminate duplicates Z: 7 2.356 1.613 -0.060 0.513 0.833 0.500 CB 0.751 Z: 50 32.661 2.025 0.793 0.515 0.918 0.612 CB 1.379 50 residues pruned to eliminate duplicates Z: 55 30.701 2.056 0.640 0.476 0.926 0.500 CB 1.371 55 residues pruned to eliminate duplicates Z: 18 28.307 2.352 0.970 0.459 0.941 0.647 CB 1.643 18 residues pruned to eliminate duplicates Z: 6 5.495 1.495 0.459 0.680 0.800 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 81 40.049 2.017 0.840 0.568 0.913 0.575 CB 1.238 81 residues pruned to eliminate duplicates Z: 9 3.268 1.750 -0.068 0.330 0.750 0.500 CB 1.138 Z: 20 17.952 1.964 0.243 0.841 0.895 0.789 CB 1.406 20 residues pruned to eliminate duplicates Z: 41 17.998 1.813 0.559 0.415 0.975 0.550 CB 1.128 41 residues pruned to eliminate duplicates Z: 48 45.668 2.199 1.125 0.624 0.915 0.596 CB 1.387 48 residues pruned to eliminate duplicates Z: 25 23.668 2.134 0.568 0.770 0.875 0.625 CB 1.300 25 residues pruned to eliminate duplicates Z: 38 21.933 1.842 0.663 0.439 0.892 0.459 CB 1.406 38 residues pruned to eliminate duplicates Z: 6 2.734 1.534 -0.063 0.557 0.800 0.800 N 1.006 Z: 132 63.630 2.155 0.770 0.571 0.954 0.679 CB 1.426 175 residues pruned to eliminate duplicates Z: 7 9.634 1.992 0.589 0.512 1.000 0.833 CA 1.228 7 residues pruned to eliminate duplicates Z: 46 29.620 2.057 0.663 0.512 0.911 0.556 CB 1.400 46 residues pruned to eliminate duplicates Z: 9 21.404 1.993 1.119 0.895 0.875 0.875 CB 1.468 9 residues pruned to eliminate duplicates Z: 7 4.138 1.422 0.826 0.599 0.833 0.500 CB 0.710 Z: 12 26.134 2.344 0.931 0.585 0.909 0.818 CB 1.765 12 residues pruned to eliminate duplicates Z: 42 20.444 1.857 0.604 0.468 0.951 0.561 CB 1.164 47 residues pruned to eliminate duplicates Z: 48 23.288 1.996 0.620 0.430 0.872 0.489 CB 1.295 48 residues pruned to eliminate duplicates Z: 6 2.411 1.586 -0.233 0.475 1.000 0.800 CB 0.909 4 residues pruned to eliminate duplicates Z: 48 47.204 2.229 1.100 0.605 0.872 0.447 CB 1.526 48 residues pruned to eliminate duplicates Z: 7 7.345 1.499 0.494 0.822 0.833 0.667 O 1.216 Z: 39 14.831 1.826 0.548 0.415 0.842 0.395 CB 1.105 40 residues pruned to eliminate duplicates Z: 24 29.175 2.129 0.405 0.942 1.000 1.000 CB 1.410 24 residues pruned to eliminate duplicates Z: 18 30.640 2.180 0.645 0.898 0.882 0.765 CB 1.680 Z: 39 36.999 2.146 0.708 0.616 0.974 0.632 CB 1.507 22 residues pruned to eliminate duplicates Z: 7 7.113 1.872 -0.078 0.816 1.000 1.000 CB 1.279 9 residues pruned to eliminate duplicates Z: 14 18.265 1.947 0.674 0.570 1.000 0.385 CB 1.452 14 residues pruned to eliminate duplicates Z: 44 25.899 1.988 0.641 0.430 0.930 0.465 CB 1.399 44 residues pruned to eliminate duplicates Z: 6 6.775 1.408 0.987 0.778 0.800 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 72 44.252 2.115 0.895 0.531 0.930 0.549 CB 1.367 72 residues pruned to eliminate duplicates Z: 25 15.708 1.955 0.500 0.382 0.917 0.625 CB 1.352 25 residues pruned to eliminate duplicates Z: 37 25.263 2.047 0.642 0.570 0.889 0.667 CB 1.317 72 residues pruned to eliminate duplicates Z: 45 36.471 2.151 0.685 0.617 0.955 0.659 CB 1.422 11 residues pruned to eliminate duplicates Z: 6 4.029 1.326 0.320 0.749 0.800 0.400 CB 1.030 6 residues pruned to eliminate duplicates Z: 22 22.855 2.102 0.523 0.545 1.000 0.714 CB 1.491 22 residues pruned to eliminate duplicates Z: 65 32.505 2.048 0.832 0.448 0.875 0.547 CB 1.305 65 residues pruned to eliminate duplicates Z: 7 2.131 1.408 0.782 0.249 0.500 0.333 CA 0.927 Z: 52 29.428 2.057 0.677 0.479 0.961 0.490 CB 1.269 52 residues pruned to eliminate duplicates Z: 6 7.614 1.976 -0.166 0.739 1.000 0.600 C 1.668 6 residues pruned to eliminate duplicates Z: 20 29.000 2.051 0.666 0.877 1.000 0.579 CB 1.414 20 residues pruned to eliminate duplicates Z: 22 24.879 2.174 0.825 0.463 0.857 0.619 CB 1.658 22 residues pruned to eliminate duplicates Z: 6 3.238 1.241 0.457 0.609 1.000 0.600 CA 0.722 Z: 17 16.377 1.840 0.878 0.467 0.938 0.812 CB 1.307 17 residues pruned to eliminate duplicates Z: 44 38.969 2.111 1.127 0.637 0.837 0.512 CB 1.390 44 residues pruned to eliminate duplicates Z: 8 3.432 1.805 0.288 0.239 0.714 0.571 CB 1.057 8 residues pruned to eliminate duplicates Z: 11 20.607 1.906 0.817 0.890 1.000 0.700 CA 1.354 11 residues pruned to eliminate duplicates Z: 37 28.423 2.092 0.649 0.586 0.917 0.639 CB 1.380 37 residues pruned to eliminate duplicates Z: 71 35.156 2.098 0.666 0.539 0.871 0.629 CB 1.327 116 residues pruned to eliminate duplicates Z: 19 26.614 1.991 0.690 0.864 0.944 0.722 CB 1.448 19 residues pruned to eliminate duplicates Z: 23 35.400 2.253 1.064 0.521 0.955 0.773 CB 1.665 23 residues pruned to eliminate duplicates Z: 6 2.528 1.583 -0.040 0.168 0.800 0.400 CB 1.391 6 residues pruned to eliminate duplicates Z: 7 4.920 1.574 0.558 0.249 0.833 0.333 O 1.313 Z: 6 6.764 1.963 0.584 0.294 1.000 0.800 CB 1.225 6 residues pruned to eliminate duplicates Z: 10 11.367 2.089 0.189 0.842 0.889 0.444 CB 1.278 Z: 14 32.703 2.269 1.464 0.923 0.846 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 42 26.269 1.877 0.927 0.480 0.878 0.585 CB 1.318 42 residues pruned to eliminate duplicates Z: 19 30.152 2.084 0.827 0.880 1.000 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 13 8.042 1.650 0.713 0.566 0.917 0.667 CB 0.841 5 residues pruned to eliminate duplicates Z: 8 4.561 1.451 0.450 0.848 1.000 0.714 CB 0.608 Z: 6 4.274 1.915 0.785 0.262 0.600 0.400 CB 1.223 6 residues pruned to eliminate duplicates Z: 8 2.645 1.640 -0.239 0.718 0.857 0.714 CB 0.767 Z: 61 43.486 2.122 0.640 0.632 0.950 0.667 CB 1.500 61 residues pruned to eliminate duplicates Z: 76 35.743 1.999 0.829 0.558 0.867 0.613 CB 1.231 76 residues pruned to eliminate duplicates Z: 21 24.143 2.091 0.992 0.562 0.950 0.700 CB 1.284 21 residues pruned to eliminate duplicates Z: 28 22.412 2.109 0.961 0.361 0.889 0.370 CB 1.363 28 residues pruned to eliminate duplicates Z: 12 16.059 2.161 0.539 0.428 1.000 0.545 CB 1.569 12 residues pruned to eliminate duplicates Z: 30 29.080 2.023 0.593 0.693 0.966 0.655 CB 1.454 30 residues pruned to eliminate duplicates Z: 25 18.964 1.996 0.706 0.507 0.958 0.708 CB 1.178 25 residues pruned to eliminate duplicates Z: 23 19.546 1.930 0.629 0.682 0.955 0.500 CB 1.175 23 residues pruned to eliminate duplicates Z: 35 35.852 2.132 0.905 0.623 0.912 0.618 CB 1.479 35 residues pruned to eliminate duplicates Z: 29 29.674 2.163 0.709 0.584 0.964 0.607 CB 1.451 10 residues pruned to eliminate duplicates 420 residues left after pruning, divided into chains as follows: A: 245 B: 141 C: 7 D: 27 CC for partial structure against native data = 41.29 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.494, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.578, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.702, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 0.723, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.741, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.750, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.758, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.763, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.767, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.770, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2246 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 523 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 41 36.896 2.207 0.589 0.680 0.925 0.675 CB 1.525 B: 25 31.158 2.332 0.611 0.512 0.958 0.708 CB 1.746 C: 26 42.954 2.271 0.797 0.938 0.960 0.840 CB 1.525 D: 25 41.439 2.444 0.910 0.527 0.958 0.625 CA 1.840 E: 19 32.183 2.273 0.538 0.896 0.944 0.611 CB 1.646 19 residues pruned to eliminate duplicates F: 26 39.125 2.258 0.756 0.937 0.920 0.760 CB 1.492 26 residues pruned to eliminate duplicates G: 19 34.282 2.243 0.603 0.879 1.000 0.611 CB 1.630 19 residues pruned to eliminate duplicates H: 19 25.774 2.225 0.222 0.867 1.000 0.667 CB 1.635 19 residues pruned to eliminate duplicates I: 50 34.938 2.103 0.724 0.460 0.959 0.531 CB 1.495 24 residues pruned to eliminate duplicates J: 26 32.759 2.374 0.826 0.390 0.920 0.640 CA 1.845 26 residues pruned to eliminate duplicates K: 20 28.313 2.204 0.496 0.812 0.947 0.684 CB 1.586 20 residues pruned to eliminate duplicates L: 25 44.139 2.364 0.665 0.943 1.000 0.708 CB 1.586 25 residues pruned to eliminate duplicates M: 51 42.945 2.191 0.805 0.518 0.980 0.520 CB 1.539 26 residues pruned to eliminate duplicates N: 18 36.352 2.363 0.547 0.902 1.000 0.882 CB 1.721 O: 17 40.058 2.453 0.907 0.922 0.938 0.688 CB 1.606 17 residues pruned to eliminate duplicates P: 20 30.963 2.309 0.499 0.854 0.947 0.737 CB 1.601 18 residues pruned to eliminate duplicates Q: 26 36.721 2.394 0.926 0.461 0.920 0.600 CB 1.801 26 residues pruned to eliminate duplicates R: 26 35.379 2.267 0.485 0.941 1.000 0.880 CB 1.458 26 residues pruned to eliminate duplicates S: 14 24.655 2.499 0.621 0.497 0.923 0.769 CA 1.835 14 residues pruned to eliminate duplicates T: 25 38.715 2.272 0.615 0.934 1.000 0.958 CB 1.502 U: 20 35.259 2.324 0.665 0.850 0.947 0.684 CB 1.634 20 residues pruned to eliminate duplicates V: 29 29.337 2.230 0.658 0.474 0.964 0.571 CB 1.596 29 residues pruned to eliminate duplicates W: 93 47.291 2.184 0.659 0.543 0.902 0.641 CB 1.446 77 residues pruned to eliminate duplicates X: 26 45.580 2.263 0.919 0.900 0.960 0.680 CB 1.562 25 residues pruned to eliminate duplicates Y: 60 46.364 2.214 0.693 0.576 0.949 0.576 CB 1.577 51 residues pruned to eliminate duplicates Z: 18 27.150 2.272 0.598 0.871 0.882 0.529 CB 1.499 18 residues pruned to eliminate duplicates Z: 19 26.683 2.221 0.421 0.890 0.889 0.778 CB 1.613 19 residues pruned to eliminate duplicates Z: 21 23.579 2.231 0.649 0.394 0.900 0.600 CB 1.783 21 residues pruned to eliminate duplicates Z: 12 16.784 2.251 0.808 0.513 0.818 0.636 CB 1.500 12 residues pruned to eliminate duplicates Z: 30 34.379 2.287 0.959 0.452 0.862 0.655 CB 1.736 Z: 24 43.719 2.316 0.803 0.917 0.957 0.826 CB 1.610 24 residues pruned to eliminate duplicates Z: 42 36.401 2.188 0.639 0.623 0.927 0.707 CB 1.523 41 residues pruned to eliminate duplicates Z: 149 73.497 2.257 0.827 0.566 0.919 0.554 CB 1.495 72 residues pruned to eliminate duplicates Z: 24 46.616 2.372 0.909 0.950 1.000 0.696 CB 1.481 34 residues pruned to eliminate duplicates Z: 27 31.200 2.302 0.812 0.412 0.962 0.538 CA 1.672 27 residues pruned to eliminate duplicates Z: 10 21.007 2.156 0.784 0.895 0.889 0.556 CB 1.468 10 residues pruned to eliminate duplicates Z: 51 28.774 2.093 0.609 0.505 0.900 0.480 CB 1.336 51 residues pruned to eliminate duplicates Z: 20 28.995 2.199 0.439 0.863 0.947 0.789 CB 1.628 20 residues pruned to eliminate duplicates Z: 20 31.982 2.327 0.407 0.850 1.000 0.579 CB 1.660 20 residues pruned to eliminate duplicates Z: 17 28.293 2.283 0.446 0.918 0.875 0.812 CB 1.727 17 residues pruned to eliminate duplicates Z: 26 46.767 2.261 0.949 0.934 0.920 0.560 CB 1.608 25 residues pruned to eliminate duplicates Z: 16 39.823 2.346 1.089 0.937 1.000 0.800 CB 1.459 16 residues pruned to eliminate duplicates Z: 50 50.882 2.316 0.991 0.626 0.898 0.531 CB 1.559 50 residues pruned to eliminate duplicates Z: 24 39.898 2.349 0.511 0.941 1.000 1.000 CB 1.628 24 residues pruned to eliminate duplicates Z: 10 25.162 2.174 0.830 0.902 1.000 0.778 CB 1.503 10 residues pruned to eliminate duplicates Z: 24 36.957 2.375 0.446 0.959 1.000 0.957 CB 1.538 24 residues pruned to eliminate duplicates Z: 8 11.745 2.070 0.366 0.887 0.857 0.857 CB 1.321 8 residues pruned to eliminate duplicates Z: 22 48.432 2.428 0.825 0.962 1.000 0.619 CB 1.632 22 residues pruned to eliminate duplicates Z: 16 34.249 2.418 0.556 0.929 1.000 0.800 CB 1.645 16 residues pruned to eliminate duplicates Z: 25 42.305 2.465 1.064 0.528 0.917 0.708 CA 1.801 26 residues pruned to eliminate duplicates Z: 19 35.970 2.353 0.818 0.921 0.889 0.778 CB 1.570 19 residues pruned to eliminate duplicates Z: 23 58.634 2.427 1.133 0.958 1.000 0.591 CB 1.656 23 residues pruned to eliminate duplicates Z: 25 29.765 2.105 0.607 0.893 0.917 0.833 CB 1.407 Z: 26 53.629 2.296 1.128 0.948 1.000 0.760 CB 1.516 26 residues pruned to eliminate duplicates Z: 26 49.892 2.295 1.008 0.940 0.960 0.840 CB 1.567 26 residues pruned to eliminate duplicates Z: 11 6.789 2.057 0.431 0.231 0.700 0.400 CB 1.426 6 residues pruned to eliminate duplicates Z: 13 33.441 2.584 0.829 0.538 1.000 0.917 CA 1.968 13 residues pruned to eliminate duplicates Z: 49 30.561 2.110 0.704 0.446 0.875 0.417 CB 1.482 49 residues pruned to eliminate duplicates Z: 26 42.248 2.298 0.925 0.567 1.000 0.760 CB 1.791 26 residues pruned to eliminate duplicates Z: 10 18.857 2.160 0.966 0.620 0.889 0.778 CB 1.487 10 residues pruned to eliminate duplicates Z: 26 54.667 2.302 1.029 0.945 1.000 0.760 CB 1.620 26 residues pruned to eliminate duplicates Z: 10 19.690 2.157 0.486 0.898 1.000 0.778 CB 1.465 10 residues pruned to eliminate duplicates Z: 15 20.572 2.217 0.848 0.421 0.857 0.500 CB 1.700 15 residues pruned to eliminate duplicates Z: 40 20.375 2.061 0.540 0.385 0.821 0.487 CB 1.415 40 residues pruned to eliminate duplicates Z: 9 19.504 2.037 0.743 0.910 1.000 0.750 CA 1.377 10 residues pruned to eliminate duplicates Z: 15 45.532 2.502 1.085 0.939 1.000 0.786 CB 1.622 15 residues pruned to eliminate duplicates Z: 20 23.608 2.138 0.301 0.856 0.947 0.737 CB 1.516 20 residues pruned to eliminate duplicates Z: 52 32.517 2.119 0.671 0.475 0.902 0.431 CB 1.462 52 residues pruned to eliminate duplicates Z: 18 34.936 2.222 0.695 0.900 0.941 0.765 CB 1.708 18 residues pruned to eliminate duplicates Z: 25 34.325 2.121 0.510 0.933 1.000 0.792 CB 1.527 25 residues pruned to eliminate duplicates Z: 14 18.691 2.123 0.622 0.473 1.000 0.462 CB 1.547 14 residues pruned to eliminate duplicates Z: 29 32.106 2.273 0.889 0.491 0.821 0.750 CB 1.737 29 residues pruned to eliminate duplicates Z: 10 22.044 2.091 0.787 0.891 1.000 0.778 CB 1.413 10 residues pruned to eliminate duplicates Z: 9 16.278 2.074 0.388 0.911 1.000 0.750 CB 1.417 9 residues pruned to eliminate duplicates Z: 25 40.991 2.221 0.799 0.931 0.958 0.583 CB 1.527 25 residues pruned to eliminate duplicates Z: 19 50.902 2.387 1.345 0.962 1.000 0.278 CB 1.466 19 residues pruned to eliminate duplicates Z: 23 44.742 2.337 0.891 0.923 0.909 0.682 CB 1.668 23 residues pruned to eliminate duplicates Z: 26 51.151 2.270 1.137 0.929 0.960 0.480 CB 1.537 26 residues pruned to eliminate duplicates Z: 17 22.600 2.115 0.238 0.904 1.000 0.875 CB 1.538 17 residues pruned to eliminate duplicates Z: 26 47.409 2.262 1.029 0.934 0.920 0.640 CB 1.566 26 residues pruned to eliminate duplicates Z: 18 28.149 2.241 0.439 0.891 0.941 0.882 CB 1.617 18 residues pruned to eliminate duplicates Z: 77 46.464 2.231 0.671 0.580 0.895 0.566 CB 1.480 76 residues pruned to eliminate duplicates Z: 25 45.131 2.304 0.700 0.911 1.000 0.833 CA 1.667 25 residues pruned to eliminate duplicates Z: 24 34.918 2.173 0.688 0.962 1.000 0.870 CB 1.358 24 residues pruned to eliminate duplicates Z: 25 29.569 2.271 0.698 0.421 0.958 0.583 CB 1.774 25 residues pruned to eliminate duplicates Z: 24 34.391 2.191 0.684 0.875 0.957 0.826 CA 1.478 24 residues pruned to eliminate duplicates Z: 16 30.477 2.202 0.617 0.885 1.000 0.800 CA 1.597 16 residues pruned to eliminate duplicates Z: 24 57.423 2.397 1.170 0.950 0.957 0.391 CB 1.660 24 residues pruned to eliminate duplicates Z: 24 54.096 2.396 1.210 0.946 0.957 0.696 CB 1.540 25 residues pruned to eliminate duplicates Z: 36 17.709 1.827 0.574 0.451 0.857 0.486 CB 1.277 36 residues pruned to eliminate duplicates Z: 20 37.366 2.345 0.632 0.858 1.000 0.579 CB 1.648 20 residues pruned to eliminate duplicates Z: 24 32.059 2.160 0.493 0.948 0.957 0.826 CB 1.497 24 residues pruned to eliminate duplicates Z: 35 18.393 1.979 0.510 0.428 0.882 0.471 CB 1.289 Z: 37 22.910 2.006 0.527 0.441 1.000 0.500 CB 1.324 35 residues pruned to eliminate duplicates Z: 9 6.124 1.903 0.525 0.330 0.750 0.500 CB 1.198 9 residues pruned to eliminate duplicates Z: 24 41.892 2.194 1.020 0.953 0.957 0.435 CB 1.418 25 residues pruned to eliminate duplicates Z: 21 28.205 2.247 0.458 0.853 0.950 0.700 CB 1.498 21 residues pruned to eliminate duplicates Z: 25 31.231 2.124 0.643 0.893 0.917 0.875 CB 1.430 25 residues pruned to eliminate duplicates Z: 13 20.538 2.446 0.767 0.513 0.833 0.667 CA 1.625 13 residues pruned to eliminate duplicates Z: 19 27.106 2.293 0.409 0.841 0.944 0.889 CB 1.562 19 residues pruned to eliminate duplicates Z: 64 35.213 2.143 0.733 0.432 0.857 0.397 CB 1.495 64 residues pruned to eliminate duplicates Z: 9 15.015 2.062 0.562 0.899 0.875 0.750 CB 1.346 9 residues pruned to eliminate duplicates Z: 40 30.918 2.025 0.727 0.520 0.949 0.744 CB 1.463 57 residues pruned to eliminate duplicates Z: 33 18.306 1.863 0.603 0.434 0.906 0.562 CB 1.280 33 residues pruned to eliminate duplicates Z: 17 33.704 2.300 0.920 0.932 0.938 0.625 CB 1.422 17 residues pruned to eliminate duplicates Z: 40 29.004 2.037 0.639 0.495 1.000 0.513 CB 1.398 40 residues pruned to eliminate duplicates Z: 95 53.438 2.212 0.684 0.540 0.957 0.585 CB 1.487 95 residues pruned to eliminate duplicates Z: 22 31.755 2.238 0.530 0.955 0.952 0.857 CB 1.460 22 residues pruned to eliminate duplicates Z: 18 26.503 2.288 0.424 0.862 0.882 0.765 CB 1.642 18 residues pruned to eliminate duplicates Z: 19 33.170 2.353 0.619 0.880 0.944 0.611 CB 1.574 19 residues pruned to eliminate duplicates Z: 17 29.994 2.233 0.510 0.913 1.000 0.688 CB 1.574 17 residues pruned to eliminate duplicates Z: 26 29.978 2.216 0.770 0.476 0.960 0.760 CA 1.631 26 residues pruned to eliminate duplicates Z: 23 34.038 2.206 0.518 0.955 1.000 0.909 CB 1.490 23 residues pruned to eliminate duplicates Z: 6 13.820 1.968 0.684 0.775 1.000 0.600 CB 1.462 6 residues pruned to eliminate duplicates Z: 18 31.139 2.285 0.589 0.902 0.882 0.706 CB 1.682 18 residues pruned to eliminate duplicates Z: 19 38.290 2.360 0.614 0.898 1.000 0.667 CB 1.695 19 residues pruned to eliminate duplicates Z: 25 40.733 2.318 0.721 0.933 0.958 0.792 CB 1.519 25 residues pruned to eliminate duplicates Z: 26 47.890 2.293 0.965 0.927 0.960 0.760 CB 1.552 26 residues pruned to eliminate duplicates Z: 21 14.518 1.873 0.436 0.512 0.950 0.600 CB 1.256 Z: 18 24.676 2.260 0.482 0.887 0.941 0.647 CB 1.368 18 residues pruned to eliminate duplicates Z: 23 39.317 2.239 0.882 0.953 0.955 0.682 CB 1.434 23 residues pruned to eliminate duplicates Z: 41 16.976 1.933 0.489 0.393 0.850 0.475 CB 1.229 21 residues pruned to eliminate duplicates Z: 25 46.614 2.325 0.939 0.940 0.958 0.708 CB 1.529 25 residues pruned to eliminate duplicates Z: 28 26.577 2.062 0.821 0.464 0.926 0.667 CB 1.525 28 residues pruned to eliminate duplicates Z: 24 34.906 2.183 0.626 0.943 0.957 0.826 CB 1.485 24 residues pruned to eliminate duplicates Z: 10 19.769 2.124 0.539 0.902 1.000 0.889 CB 1.438 10 residues pruned to eliminate duplicates Z: 11 12.245 1.962 0.129 0.783 0.900 0.600 CA 1.514 11 residues pruned to eliminate duplicates Z: 50 28.632 2.052 0.641 0.487 0.918 0.490 CB 1.341 50 residues pruned to eliminate duplicates Z: 20 25.814 2.143 0.411 0.843 0.947 0.684 CB 1.538 20 residues pruned to eliminate duplicates Z: 17 13.602 1.945 0.694 0.364 0.812 0.500 CB 1.470 15 residues pruned to eliminate duplicates Z: 25 50.005 2.308 1.086 0.908 0.917 0.458 CB 1.643 25 residues pruned to eliminate duplicates Z: 24 46.136 2.200 1.151 0.947 0.957 0.435 CB 1.468 24 residues pruned to eliminate duplicates Z: 13 13.460 1.939 0.699 0.564 0.917 0.750 CB 1.210 14 residues pruned to eliminate duplicates Z: 38 26.624 2.033 0.340 0.685 0.946 0.811 CB 1.434 34 residues pruned to eliminate duplicates Z: 10 16.652 2.111 0.566 0.849 0.889 0.556 CB 1.400 10 residues pruned to eliminate duplicates Z: 24 61.743 2.384 1.418 0.959 1.000 0.391 CB 1.530 24 residues pruned to eliminate duplicates Z: 25 52.056 2.367 1.066 0.950 0.958 0.625 CB 1.563 25 residues pruned to eliminate duplicates Z: 18 30.578 2.381 0.450 0.862 0.882 0.706 CB 1.788 18 residues pruned to eliminate duplicates Z: 18 9.089 1.830 0.633 0.296 0.647 0.412 CB 1.433 18 residues pruned to eliminate duplicates Z: 15 25.174 2.167 0.555 0.910 0.929 0.857 CA 1.524 15 residues pruned to eliminate duplicates Z: 6 11.108 1.841 0.353 0.864 1.000 0.800 CA 1.463 6 residues pruned to eliminate duplicates Z: 26 50.346 2.223 0.974 0.944 1.000 0.520 CB 1.589 26 residues pruned to eliminate duplicates Z: 21 38.224 2.222 0.903 0.944 0.950 0.600 CB 1.473 21 residues pruned to eliminate duplicates Z: 25 53.610 2.341 1.249 0.944 0.958 0.750 CB 1.502 25 residues pruned to eliminate duplicates Z: 27 29.990 2.135 1.056 0.472 0.885 0.731 CB 1.558 27 residues pruned to eliminate duplicates Z: 16 18.972 2.113 0.614 0.612 1.000 0.867 CB 1.292 16 residues pruned to eliminate duplicates Z: 19 18.819 2.113 0.845 0.359 0.889 0.722 CB 1.491 19 residues pruned to eliminate duplicates Z: 19 29.396 2.326 0.404 0.884 0.944 0.611 CB 1.624 19 residues pruned to eliminate duplicates Z: 32 23.224 2.022 0.629 0.482 0.968 0.548 CB 1.333 41 residues pruned to eliminate duplicates Z: 15 30.375 2.486 0.755 0.485 1.000 0.643 CA 1.889 15 residues pruned to eliminate duplicates Z: 40 25.478 2.000 0.577 0.482 0.974 0.641 CB 1.351 40 residues pruned to eliminate duplicates Z: 27 23.046 2.029 0.606 0.588 0.962 0.577 CB 1.326 27 residues pruned to eliminate duplicates Z: 24 30.314 2.172 0.480 0.929 0.957 0.696 CB 1.439 24 residues pruned to eliminate duplicates Z: 153 73.032 2.261 0.750 0.570 0.928 0.461 CB 1.509 153 residues pruned to eliminate duplicates Z: 43 18.702 1.916 0.477 0.411 0.905 0.452 CB 1.238 43 residues pruned to eliminate duplicates Z: 9 9.412 1.961 0.343 0.452 0.875 0.500 CB 1.517 9 residues pruned to eliminate duplicates Z: 90 44.275 2.228 0.565 0.531 0.888 0.607 CB 1.470 82 residues pruned to eliminate duplicates Z: 35 59.166 2.364 1.179 0.778 0.971 0.559 CB 1.588 35 residues pruned to eliminate duplicates Z: 24 34.982 2.140 0.877 0.910 0.913 0.609 CB 1.411 24 residues pruned to eliminate duplicates Z: 10 15.801 2.081 0.493 0.875 0.889 0.667 CB 1.386 10 residues pruned to eliminate duplicates 6 1.537 1.690 -0.165 0.376 0.600 0.400 CB 0.928 ? Z: 6 9.012 1.921 0.501 0.872 1.000 0.400 CA 1.019 6 residues pruned to eliminate duplicates Z: 18 11.520 1.955 0.545 0.417 0.706 0.412 CB 1.428 18 residues pruned to eliminate duplicates Z: 9 8.302 1.938 0.600 0.463 0.875 0.625 CB 1.123 9 residues pruned to eliminate duplicates Z: 52 27.236 2.096 0.543 0.464 0.882 0.353 CB 1.386 52 residues pruned to eliminate duplicates Z: 26 53.299 2.305 1.082 0.950 1.000 0.480 CB 1.532 26 residues pruned to eliminate duplicates Z: 8 5.033 1.762 0.403 0.246 0.714 0.429 CB 1.445 Z: 95 50.514 2.193 0.710 0.553 0.915 0.628 CB 1.442 95 residues pruned to eliminate duplicates Z: 51 38.713 2.119 0.761 0.508 0.980 0.560 CB 1.485 50 residues pruned to eliminate duplicates Z: 18 9.794 1.690 0.383 0.482 0.941 0.471 CB 1.099 16 residues pruned to eliminate duplicates Z: 28 41.804 2.301 0.645 0.840 1.000 0.926 CB 1.586 28 residues pruned to eliminate duplicates Z: 45 36.600 2.124 0.806 0.560 0.932 0.659 CB 1.457 46 residues pruned to eliminate duplicates Z: 45 36.609 2.221 0.563 0.627 0.977 0.636 CB 1.443 45 residues pruned to eliminate duplicates Z: 19 27.590 2.306 0.301 0.902 0.944 0.778 CB 1.636 19 residues pruned to eliminate duplicates Z: 16 11.809 1.952 0.466 0.375 0.867 0.400 CB 1.405 16 residues pruned to eliminate duplicates Z: 8 7.162 1.852 0.630 0.600 0.571 0.286 CA 1.427 8 residues pruned to eliminate duplicates Z: 11 15.451 2.419 0.048 0.935 1.000 1.000 CB 1.343 11 residues pruned to eliminate duplicates Z: 25 34.641 2.123 0.600 0.934 1.000 0.750 CB 1.453 25 residues pruned to eliminate duplicates Z: 25 37.444 2.169 0.719 0.958 1.000 0.708 CB 1.405 25 residues pruned to eliminate duplicates Z: 38 30.628 2.094 0.673 0.507 0.973 0.514 CB 1.466 38 residues pruned to eliminate duplicates Z: 25 29.167 2.328 0.725 0.440 0.958 0.542 CB 1.646 25 residues pruned to eliminate duplicates Z: 18 40.321 2.368 0.781 0.905 1.000 0.647 CB 1.651 18 residues pruned to eliminate duplicates Z: 62 46.355 2.199 0.686 0.578 0.967 0.689 CB 1.536 62 residues pruned to eliminate duplicates Z: 27 50.831 2.209 1.266 0.942 0.923 0.462 CB 1.497 27 residues pruned to eliminate duplicates Z: 38 42.343 2.283 0.793 0.666 0.946 0.784 CB 1.541 38 residues pruned to eliminate duplicates Z: 19 35.188 2.246 0.720 0.888 0.944 0.611 CB 1.637 19 residues pruned to eliminate duplicates Z: 13 17.933 2.155 0.724 0.436 0.917 0.417 CA 1.624 16 residues pruned to eliminate duplicates Z: 40 30.561 2.050 0.715 0.533 0.923 0.513 CB 1.460 40 residues pruned to eliminate duplicates Z: 52 27.497 2.097 0.612 0.455 0.882 0.353 CB 1.352 52 residues pruned to eliminate duplicates Z: 27 33.697 2.075 1.165 0.801 0.885 0.615 CB 1.278 27 residues pruned to eliminate duplicates Z: 40 24.660 1.999 0.606 0.454 0.949 0.513 CB 1.359 74 residues pruned to eliminate duplicates Z: 19 35.853 2.266 0.677 0.883 1.000 0.778 CB 1.607 19 residues pruned to eliminate duplicates Z: 7 6.317 1.525 0.260 0.815 0.833 0.667 CA 1.225 Z: 24 29.270 2.135 0.683 0.931 0.957 0.522 CB 1.241 24 residues pruned to eliminate duplicates Z: 57 50.933 2.297 0.775 0.547 0.946 0.643 CB 1.685 57 residues pruned to eliminate duplicates Z: 39 25.844 2.058 0.618 0.510 0.921 0.579 CB 1.354 39 residues pruned to eliminate duplicates Z: 19 29.801 2.198 0.736 0.859 0.889 0.667 CB 1.524 19 residues pruned to eliminate duplicates Z: 19 29.812 2.191 0.623 0.873 0.944 0.722 CB 1.524 19 residues pruned to eliminate duplicates Z: 10 16.527 1.984 0.523 0.877 1.000 0.444 CB 1.323 10 residues pruned to eliminate duplicates Z: 64 48.740 2.210 0.623 0.577 0.984 0.683 CB 1.616 64 residues pruned to eliminate duplicates Z: 27 25.874 2.026 0.684 0.542 1.000 0.462 CB 1.427 27 residues pruned to eliminate duplicates Z: 48 43.838 2.273 0.972 0.622 0.851 0.489 CB 1.493 48 residues pruned to eliminate duplicates Z: 44 28.654 2.068 0.599 0.515 0.907 0.512 CB 1.435 44 residues pruned to eliminate duplicates Z: 23 33.677 2.147 0.579 0.930 1.000 0.818 CB 1.481 23 residues pruned to eliminate duplicates Z: 9 4.712 1.642 -0.152 0.609 0.875 0.750 N 1.234 Z: 24 33.927 2.185 0.424 0.952 1.000 1.000 CB 1.565 24 residues pruned to eliminate duplicates Z: 61 41.263 2.198 0.559 0.576 0.950 0.617 CB 1.520 61 residues pruned to eliminate duplicates Z: 46 31.278 2.033 0.581 0.582 0.911 0.622 CB 1.473 46 residues pruned to eliminate duplicates Z: 86 45.731 2.129 0.634 0.578 0.918 0.612 CB 1.441 86 residues pruned to eliminate duplicates Z: 8 20.277 2.248 0.756 0.673 1.000 0.714 CB 1.655 8 residues pruned to eliminate duplicates Z: 37 18.301 1.939 0.439 0.430 0.889 0.556 CB 1.322 Z: 16 15.101 2.141 0.773 0.494 0.733 0.733 CB 1.410 16 residues pruned to eliminate duplicates Z: 95 50.885 2.189 0.678 0.543 0.915 0.638 CB 1.497 95 residues pruned to eliminate duplicates Z: 13 8.769 1.864 0.775 0.421 0.750 0.333 CB 1.108 13 residues pruned to eliminate duplicates Z: 55 33.326 2.232 0.580 0.566 0.852 0.648 CB 1.417 55 residues pruned to eliminate duplicates Z: 10 11.350 1.864 0.711 0.505 0.778 0.556 CB 1.518 10 residues pruned to eliminate duplicates Z: 39 31.195 2.055 0.684 0.541 0.974 0.579 CB 1.444 39 residues pruned to eliminate duplicates Z: 18 20.174 2.138 0.379 0.862 0.824 0.706 CB 1.479 18 residues pruned to eliminate duplicates Z: 58 41.170 2.207 0.475 0.587 0.947 0.632 CB 1.626 58 residues pruned to eliminate duplicates Z: 18 37.826 2.169 1.105 0.920 0.882 0.412 CB 1.604 18 residues pruned to eliminate duplicates Z: 14 31.523 2.395 0.796 0.904 0.923 0.692 CB 1.569 14 residues pruned to eliminate duplicates Z: 18 26.984 2.138 0.522 0.878 0.941 0.882 CA 1.551 18 residues pruned to eliminate duplicates Z: 24 35.813 2.152 0.716 0.938 0.957 0.739 CB 1.471 24 residues pruned to eliminate duplicates Z: 17 24.736 2.167 0.409 0.864 0.938 0.875 CB 1.584 17 residues pruned to eliminate duplicates Z: 52 31.835 2.097 0.626 0.517 0.961 0.529 CB 1.338 52 residues pruned to eliminate duplicates Z: 6 4.263 1.357 0.661 0.794 0.800 0.400 N 0.817 6 residues pruned to eliminate duplicates Z: 39 22.827 1.932 0.638 0.452 0.947 0.526 CB 1.298 76 residues pruned to eliminate duplicates Z: 39 29.036 2.104 0.630 0.545 0.921 0.500 CB 1.427 39 residues pruned to eliminate duplicates Z: 21 22.543 2.068 0.372 0.808 0.900 0.750 CA 1.509 21 residues pruned to eliminate duplicates Z: 11 8.362 1.856 0.045 0.463 1.000 0.500 CB 1.416 Z: 51 42.388 2.144 0.841 0.524 0.940 0.600 CB 1.578 51 residues pruned to eliminate duplicates Z: 18 27.089 2.375 0.567 0.461 1.000 0.706 CA 1.837 18 residues pruned to eliminate duplicates Z: 24 37.947 2.202 0.751 0.954 0.957 0.696 CB 1.475 24 residues pruned to eliminate duplicates Z: 25 51.902 2.363 1.080 0.947 0.958 0.708 CB 1.555 25 residues pruned to eliminate duplicates Z: 39 31.332 2.045 0.832 0.512 0.947 0.500 CB 1.415 39 residues pruned to eliminate duplicates Z: 16 35.953 2.417 0.678 0.917 1.000 0.667 CB 1.616 16 residues pruned to eliminate duplicates Z: 129 64.051 2.237 0.770 0.563 0.914 0.438 CB 1.472 129 residues pruned to eliminate duplicates Z: 26 52.169 2.228 1.422 0.953 0.960 0.600 CB 1.386 26 residues pruned to eliminate duplicates Z: 26 22.338 2.090 0.627 0.425 0.960 0.480 CB 1.481 26 residues pruned to eliminate duplicates Z: 23 25.378 2.125 0.224 0.915 1.000 0.864 CB 1.469 23 residues pruned to eliminate duplicates Z: 18 21.242 2.072 0.374 0.869 0.882 0.824 CA 1.497 18 residues pruned to eliminate duplicates Z: 9 6.019 1.583 0.084 0.559 0.875 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 17 17.911 2.095 0.667 0.535 0.875 0.625 CB 1.415 17 residues pruned to eliminate duplicates Z: 8 18.756 2.089 0.826 0.813 1.000 1.000 CB 1.415 8 residues pruned to eliminate duplicates Z: 6 7.624 1.975 0.526 0.626 1.000 0.400 CB 1.005 6 residues pruned to eliminate duplicates Z: 57 24.958 1.997 0.585 0.421 0.875 0.554 CB 1.308 57 residues pruned to eliminate duplicates Z: 52 32.902 2.099 0.700 0.479 0.922 0.549 CB 1.432 52 residues pruned to eliminate duplicates Z: 33 24.833 1.971 0.671 0.543 0.969 0.594 CB 1.319 33 residues pruned to eliminate duplicates Z: 39 21.583 1.983 0.550 0.441 0.895 0.553 CB 1.353 39 residues pruned to eliminate duplicates Z: 17 13.157 1.825 0.741 0.367 0.875 0.500 CB 1.365 Z: 7 5.777 1.901 0.025 0.302 1.000 0.667 CB 1.508 7 residues pruned to eliminate duplicates Z: 18 10.731 1.700 0.471 0.469 0.882 0.529 CB 1.217 2 residues pruned to eliminate duplicates Z: 6 4.395 1.789 0.156 0.667 0.800 0.400 CA 1.019 6 residues pruned to eliminate duplicates Z: 39 28.022 2.040 0.675 0.478 0.947 0.447 CB 1.436 39 residues pruned to eliminate duplicates Z: 7 5.802 1.853 0.043 0.753 0.833 0.833 CB 1.174 7 residues pruned to eliminate duplicates Z: 23 23.774 2.146 0.201 0.940 0.955 0.955 CB 1.431 23 residues pruned to eliminate duplicates Z: 21 37.788 2.150 1.075 0.929 0.900 0.550 CB 1.472 21 residues pruned to eliminate duplicates Z: 46 27.744 2.100 0.587 0.466 0.889 0.467 CB 1.446 46 residues pruned to eliminate duplicates Z: 73 32.293 2.056 0.539 0.556 0.875 0.597 CB 1.302 60 residues pruned to eliminate duplicates Z: 6 3.882 1.814 0.935 0.236 1.000 0.600 CB 0.672 6 residues pruned to eliminate duplicates Z: 42 40.067 2.210 0.989 0.649 0.854 0.268 CB 1.451 42 residues pruned to eliminate duplicates Z: 18 8.715 1.667 0.402 0.474 0.882 0.529 CB 1.053 18 residues pruned to eliminate duplicates Z: 39 28.312 2.045 0.680 0.522 0.947 0.526 CB 1.381 39 residues pruned to eliminate duplicates Z: 6 4.817 1.468 0.695 0.694 0.800 0.200 CB 0.906 6 residues pruned to eliminate duplicates Z: 20 23.858 2.063 0.348 0.863 0.947 0.579 CB 1.524 20 residues pruned to eliminate duplicates Z: 45 29.868 2.115 0.589 0.521 0.909 0.568 CB 1.443 45 residues pruned to eliminate duplicates Z: 9 20.089 2.059 0.714 0.898 1.000 1.000 CB 1.440 9 residues pruned to eliminate duplicates Z: 13 18.097 2.301 0.511 0.533 0.917 0.667 CB 1.586 13 residues pruned to eliminate duplicates Z: 36 20.062 2.010 0.532 0.455 0.886 0.457 CB 1.301 36 residues pruned to eliminate duplicates Z: 39 18.549 1.989 0.479 0.387 0.895 0.553 CB 1.289 39 residues pruned to eliminate duplicates Z: 83 49.874 2.221 0.668 0.590 0.915 0.671 CB 1.491 83 residues pruned to eliminate duplicates Z: 7 9.983 1.876 1.115 0.726 0.833 0.833 N 1.005 Z: 9 14.064 1.981 0.690 0.640 0.875 0.625 CB 1.489 8 residues pruned to eliminate duplicates Z: 11 11.566 1.864 0.580 0.578 1.000 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 6 2.838 1.639 -0.015 0.471 0.800 0.600 N 1.012 Z: 21 23.944 2.076 0.510 0.825 0.900 0.750 CB 1.431 21 residues pruned to eliminate duplicates Z: 24 41.815 2.189 1.063 0.954 0.957 0.565 CB 1.388 24 residues pruned to eliminate duplicates Z: 16 8.255 1.929 0.497 0.382 0.733 0.400 CB 1.141 16 residues pruned to eliminate duplicates Z: 18 26.083 2.138 0.363 0.914 1.000 0.941 CB 1.535 18 residues pruned to eliminate duplicates Z: 25 38.854 2.303 0.529 0.916 0.958 0.875 CB 1.660 25 residues pruned to eliminate duplicates Z: 19 23.854 2.154 0.359 0.861 0.944 0.500 CB 1.494 19 residues pruned to eliminate duplicates Z: 51 35.968 2.169 0.708 0.488 0.960 0.560 CB 1.447 51 residues pruned to eliminate duplicates Z: 12 22.681 1.895 0.828 0.890 1.000 0.727 CB 1.421 12 residues pruned to eliminate duplicates Z: 46 50.943 2.304 1.050 0.651 0.911 0.533 CB 1.533 46 residues pruned to eliminate duplicates Z: 24 46.198 2.179 1.210 0.956 0.957 0.478 CB 1.437 24 residues pruned to eliminate duplicates Z: 76 58.012 2.253 0.859 0.630 0.933 0.520 CB 1.516 76 residues pruned to eliminate duplicates Z: 37 53.075 2.272 1.259 0.731 0.944 0.417 CB 1.482 37 residues pruned to eliminate duplicates Z: 23 34.147 2.180 0.814 0.942 0.909 0.636 CB 1.404 23 residues pruned to eliminate duplicates Z: 12 11.464 2.040 0.573 0.534 0.909 0.818 CB 1.146 12 residues pruned to eliminate duplicates Z: 55 39.532 2.176 0.771 0.566 0.889 0.500 CB 1.473 55 residues pruned to eliminate duplicates Z: 20 20.668 2.084 0.207 0.945 0.947 0.895 CB 1.377 20 residues pruned to eliminate duplicates Z: 6 4.811 1.718 0.281 0.484 0.800 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 35 16.109 1.879 0.534 0.431 0.853 0.588 CB 1.208 35 residues pruned to eliminate duplicates Z: 26 45.791 2.252 1.023 0.937 1.000 0.640 CB 1.399 26 residues pruned to eliminate duplicates Z: 19 31.916 2.261 0.447 0.890 1.000 0.722 CB 1.654 19 residues pruned to eliminate duplicates Z: 27 40.973 2.291 0.925 0.553 1.000 0.769 CA 1.731 26 residues pruned to eliminate duplicates Z: 14 19.315 2.088 0.797 0.544 0.923 0.538 CB 1.482 14 residues pruned to eliminate duplicates Z: 14 28.426 2.089 0.822 0.934 0.923 0.692 CA 1.564 14 residues pruned to eliminate duplicates Z: 8 9.710 1.982 0.847 0.461 0.714 0.571 N 1.461 8 residues pruned to eliminate duplicates Z: 7 5.407 1.905 0.339 0.615 0.667 0.500 CB 1.164 7 residues pruned to eliminate duplicates Z: 45 26.333 2.114 0.321 0.622 0.886 0.727 CB 1.429 45 residues pruned to eliminate duplicates Z: 16 27.307 2.233 0.899 0.568 1.000 0.667 CB 1.556 16 residues pruned to eliminate duplicates Z: 44 32.402 2.124 0.639 0.542 0.953 0.605 CB 1.428 44 residues pruned to eliminate duplicates Z: 52 31.916 2.075 0.697 0.492 0.902 0.549 CB 1.418 52 residues pruned to eliminate duplicates Z: 55 40.145 2.252 0.609 0.523 0.926 0.574 CB 1.591 55 residues pruned to eliminate duplicates Z: 7 4.294 1.756 0.207 0.354 0.833 0.500 CB 1.162 Z: 39 31.899 2.010 0.841 0.519 1.000 0.605 CB 1.372 39 residues pruned to eliminate duplicates Z: 21 12.977 1.967 0.410 0.371 0.850 0.450 CB 1.413 21 residues pruned to eliminate duplicates Z: 41 46.370 2.253 1.144 0.625 0.875 0.475 CB 1.542 41 residues pruned to eliminate duplicates Z: 9 18.426 2.090 0.865 0.851 1.000 0.750 CB 1.237 9 residues pruned to eliminate duplicates Z: 63 55.501 2.307 0.803 0.571 0.968 0.597 CB 1.634 63 residues pruned to eliminate duplicates Z: 18 20.926 2.117 0.749 0.544 0.882 0.647 CB 1.487 18 residues pruned to eliminate duplicates Z: 55 50.329 2.314 0.979 0.606 0.833 0.481 CB 1.623 55 residues pruned to eliminate duplicates Z: 18 22.931 2.114 0.464 0.861 0.882 0.882 CA 1.497 18 residues pruned to eliminate duplicates Z: 7 4.946 1.962 -0.385 0.496 1.000 0.500 CB 1.681 7 residues pruned to eliminate duplicates Z: 23 20.352 1.965 0.641 0.642 0.955 0.500 CB 1.234 23 residues pruned to eliminate duplicates Z: 45 34.499 2.141 0.689 0.610 0.886 0.636 CB 1.462 45 residues pruned to eliminate duplicates Z: 72 36.775 2.089 0.542 0.589 0.915 0.648 CB 1.360 71 residues pruned to eliminate duplicates Z: 15 18.061 1.951 0.748 0.516 0.929 0.571 C 1.500 15 residues pruned to eliminate duplicates Z: 9 14.919 1.972 0.847 0.772 0.875 0.375 CB 1.301 9 residues pruned to eliminate duplicates Z: 53 30.452 2.087 0.640 0.475 0.904 0.519 CB 1.400 53 residues pruned to eliminate duplicates Z: 9 12.360 1.866 0.580 0.739 1.000 0.625 CA 1.196 9 residues pruned to eliminate duplicates Z: 45 28.490 2.096 0.588 0.487 0.886 0.477 CB 1.474 45 residues pruned to eliminate duplicates Z: 40 31.956 2.102 0.752 0.549 0.949 0.615 CB 1.397 40 residues pruned to eliminate duplicates Z: 8 8.855 1.823 0.898 0.659 0.857 0.857 CB 0.974 8 residues pruned to eliminate duplicates Z: 11 22.821 2.163 1.296 0.900 0.900 0.400 CB 1.153 11 residues pruned to eliminate duplicates Z: 7 2.954 1.591 0.455 0.248 0.667 0.333 CB 1.044 Z: 24 30.431 2.181 0.485 0.933 0.957 0.826 CB 1.429 25 residues pruned to eliminate duplicates Z: 27 25.719 2.145 0.581 0.503 0.962 0.654 CB 1.543 27 residues pruned to eliminate duplicates Z: 40 28.719 2.039 0.721 0.487 0.923 0.641 CB 1.438 40 residues pruned to eliminate duplicates Z: 7 3.354 1.681 0.646 0.275 0.667 0.167 CB 0.957 7 residues pruned to eliminate duplicates Z: 10 16.979 2.065 0.586 0.882 0.889 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 25 20.833 2.180 0.547 0.390 0.833 0.625 CB 1.700 25 residues pruned to eliminate duplicates Z: 40 28.324 2.006 0.682 0.485 0.923 0.564 CB 1.478 40 residues pruned to eliminate duplicates Z: 9 5.714 1.724 0.125 0.530 0.750 0.500 CB 1.349 Z: 24 40.945 2.295 0.814 0.885 0.957 0.783 CB 1.549 24 residues pruned to eliminate duplicates Z: 33 18.660 1.914 0.951 0.386 0.750 0.531 CB 1.329 33 residues pruned to eliminate duplicates Z: 64 47.077 2.229 0.693 0.575 0.937 0.651 CB 1.561 64 residues pruned to eliminate duplicates Z: 9 6.507 1.819 0.439 0.423 0.875 0.625 CB 1.088 Z: 73 57.760 2.279 1.028 0.544 0.903 0.542 CB 1.563 73 residues pruned to eliminate duplicates Z: 66 44.925 2.303 0.633 0.544 0.892 0.600 CB 1.590 66 residues pruned to eliminate duplicates Z: 83 49.385 2.199 0.636 0.583 0.939 0.549 CB 1.490 83 residues pruned to eliminate duplicates Z: 16 6.506 1.712 0.533 0.424 0.800 0.533 CB 0.866 16 residues pruned to eliminate duplicates Z: 10 23.056 2.134 0.811 0.921 0.889 0.556 CB 1.575 10 residues pruned to eliminate duplicates Z: 81 52.632 2.192 0.864 0.587 0.925 0.412 CB 1.432 81 residues pruned to eliminate duplicates Z: 49 30.322 2.054 0.671 0.506 0.917 0.458 CB 1.383 49 residues pruned to eliminate duplicates Z: 8 5.473 1.787 -0.233 0.633 1.000 0.429 CB 1.332 7 residues pruned to eliminate duplicates Z: 70 44.327 2.291 0.636 0.571 0.870 0.623 CB 1.529 70 residues pruned to eliminate duplicates Z: 34 27.842 2.098 0.658 0.581 0.879 0.515 CB 1.466 34 residues pruned to eliminate duplicates Z: 24 19.805 1.939 0.541 0.609 0.913 0.522 CB 1.366 24 residues pruned to eliminate duplicates Z: 25 27.317 2.089 0.340 0.953 1.000 0.917 CB 1.370 25 residues pruned to eliminate duplicates Z: 13 5.457 1.660 0.398 0.507 0.833 0.667 CB 0.810 Z: 10 18.914 1.936 0.816 0.920 1.000 0.667 CB 1.263 10 residues pruned to eliminate duplicates Z: 9 7.386 1.779 0.453 0.296 0.875 0.375 CA 1.450 9 residues pruned to eliminate duplicates Z: 19 15.339 2.135 0.632 0.426 0.833 0.611 CB 1.345 19 residues pruned to eliminate duplicates Z: 16 15.047 2.000 0.637 0.479 0.800 0.467 CB 1.514 16 residues pruned to eliminate duplicates Z: 60 30.257 2.122 0.580 0.476 0.864 0.593 CB 1.392 60 residues pruned to eliminate duplicates Z: 11 4.965 1.529 0.547 0.258 0.700 0.500 N 1.250 11 residues pruned to eliminate duplicates Z: 32 18.569 2.008 0.553 0.419 0.903 0.452 CB 1.288 32 residues pruned to eliminate duplicates Z: 9 3.606 1.462 0.427 0.249 0.750 0.500 CA 1.088 9 residues pruned to eliminate duplicates Z: 20 13.903 2.096 0.461 0.327 0.895 0.421 CB 1.408 20 residues pruned to eliminate duplicates Z: 14 16.855 2.095 0.853 0.481 0.846 0.692 CB 1.451 14 residues pruned to eliminate duplicates Z: 20 23.097 2.102 0.540 0.823 0.895 0.632 CB 1.383 20 residues pruned to eliminate duplicates Z: 8 4.895 1.699 0.195 0.471 0.857 0.571 CB 1.096 Z: 53 28.496 2.076 0.618 0.466 0.904 0.538 CB 1.347 53 residues pruned to eliminate duplicates Z: 83 43.694 2.039 0.751 0.571 0.915 0.561 CB 1.380 72 residues pruned to eliminate duplicates Z: 18 7.344 1.973 0.272 0.282 0.765 0.529 CB 1.188 18 residues pruned to eliminate duplicates Z: 55 27.782 2.060 0.561 0.454 0.907 0.444 CB 1.358 55 residues pruned to eliminate duplicates Z: 8 4.030 1.675 -0.189 0.707 1.000 0.714 CB 0.929 Z: 31 28.902 2.093 0.504 0.694 0.933 0.633 CB 1.505 31 residues pruned to eliminate duplicates Z: 8 9.434 1.699 1.067 0.511 0.857 0.714 CA 1.171 8 residues pruned to eliminate duplicates Z: 31 35.994 2.261 0.640 0.641 0.933 0.567 CB 1.664 31 residues pruned to eliminate duplicates Z: 6 2.947 1.417 0.154 0.379 1.000 0.400 CA 0.917 6 residues pruned to eliminate duplicates Z: 36 26.450 2.065 0.628 0.543 0.943 0.600 CB 1.352 36 residues pruned to eliminate duplicates Z: 23 35.206 2.174 0.934 0.911 0.955 0.364 CB 1.326 23 residues pruned to eliminate duplicates Z: 15 8.049 1.786 0.607 0.355 0.857 0.571 CB 1.023 15 residues pruned to eliminate duplicates Z: 9 2.791 1.674 -0.043 0.315 0.750 0.250 CB 1.008 Z: 36 54.437 2.305 1.215 0.734 0.943 0.600 CB 1.549 36 residues pruned to eliminate duplicates Z: 6 8.772 1.695 0.691 0.443 1.000 0.600 CA 1.450 6 residues pruned to eliminate duplicates Z: 47 39.074 2.125 0.900 0.617 0.891 0.565 CB 1.433 47 residues pruned to eliminate duplicates Z: 9 5.666 1.718 0.195 0.406 1.000 0.500 CB 1.078 9 residues pruned to eliminate duplicates Z: 40 39.158 2.114 1.025 0.643 0.923 0.410 CB 1.389 40 residues pruned to eliminate duplicates Z: 23 27.447 2.249 0.623 0.478 1.000 0.682 CB 1.638 23 residues pruned to eliminate duplicates Z: 36 21.401 1.967 0.612 0.449 0.943 0.571 CB 1.276 36 residues pruned to eliminate duplicates Z: 13 5.462 1.725 0.390 0.292 0.833 0.500 CB 0.996 13 residues pruned to eliminate duplicates Z: 6 3.131 1.479 0.155 0.316 0.800 0.600 N 1.256 11 residues pruned to eliminate duplicates Z: 23 12.782 1.803 0.474 0.478 0.909 0.636 CB 1.154 23 residues pruned to eliminate duplicates Z: 7 7.367 1.970 0.373 0.348 0.833 0.667 CB 1.573 7 residues pruned to eliminate duplicates Z: 6 2.466 1.226 0.475 0.231 0.800 0.400 N 1.042 6 residues pruned to eliminate duplicates Z: 52 30.556 2.094 0.522 0.549 0.882 0.608 CB 1.450 52 residues pruned to eliminate duplicates Z: 9 13.849 2.009 0.995 0.811 0.750 0.500 CB 1.242 9 residues pruned to eliminate duplicates Z: 7 3.101 1.563 0.360 0.092 0.833 0.333 CA 1.207 7 residues pruned to eliminate duplicates Z: 7 5.003 1.581 0.087 0.559 0.833 0.833 CB 1.347 Z: 9 8.180 2.063 0.223 0.351 0.875 0.500 CB 1.539 9 residues pruned to eliminate duplicates Z: 69 44.182 2.178 0.841 0.508 0.926 0.529 CB 1.430 69 residues pruned to eliminate duplicates Z: 7 4.728 1.501 0.733 0.349 0.833 0.667 O 1.050 7 residues pruned to eliminate duplicates Z: 34 18.139 2.016 0.542 0.360 0.818 0.455 CB 1.443 34 residues pruned to eliminate duplicates Z: 41 31.376 2.054 0.495 0.611 0.975 0.650 CB 1.492 41 residues pruned to eliminate duplicates Z: 102 42.456 2.055 0.609 0.495 0.921 0.525 CB 1.395 114 residues pruned to eliminate duplicates Z: 22 19.265 2.181 0.484 0.477 0.952 0.571 CB 1.396 22 residues pruned to eliminate duplicates Z: 6 11.219 1.840 0.909 0.855 1.000 1.000 CA 1.054 6 residues pruned to eliminate duplicates Z: 6 4.599 1.505 0.352 0.774 1.000 0.600 CB 0.794 Z: 8 5.424 1.477 0.367 0.836 1.000 0.714 CB 0.760 Z: 19 17.789 2.111 0.922 0.355 0.833 0.389 CB 1.450 19 residues pruned to eliminate duplicates Z: 6 2.223 1.373 0.234 0.165 1.000 0.400 CA 0.882 Z: 7 3.580 1.481 0.475 0.235 0.833 0.500 O 1.092 7 residues pruned to eliminate duplicates Z: 6 5.084 1.721 0.746 0.298 0.800 0.600 N 1.186 6 1.948 1.502 0.231 0.206 0.800 0.600 N 0.834 ? Z: 18 39.701 2.288 0.745 0.907 1.000 0.824 CB 1.714 18 residues pruned to eliminate duplicates Z: 14 12.537 2.121 0.295 0.480 0.923 0.462 CB 1.399 14 residues pruned to eliminate duplicates Z: 6 7.195 1.683 0.890 0.431 0.800 0.600 CA 1.358 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 92 47.621 2.226 0.563 0.553 0.901 0.637 CB 1.513 92 residues pruned to eliminate duplicates Z: 96 50.033 2.204 0.672 0.540 0.937 0.579 CB 1.431 96 residues pruned to eliminate duplicates Z: 39 31.348 2.133 0.686 0.568 0.921 0.658 CB 1.437 41 residues pruned to eliminate duplicates Z: 10 24.903 2.151 0.959 0.886 1.000 0.667 CB 1.421 10 residues pruned to eliminate duplicates Z: 38 32.077 2.101 0.796 0.532 0.946 0.595 CB 1.431 38 residues pruned to eliminate duplicates Z: 39 31.223 2.077 0.801 0.522 0.921 0.579 CB 1.438 39 residues pruned to eliminate duplicates Z: 25 22.787 1.954 0.704 0.599 0.917 0.542 CB 1.387 25 residues pruned to eliminate duplicates Z: 50 30.537 2.083 0.647 0.476 0.939 0.510 CB 1.387 50 residues pruned to eliminate duplicates Z: 52 31.840 2.122 0.683 0.450 0.902 0.529 CB 1.457 52 residues pruned to eliminate duplicates Z: 44 37.502 2.166 0.745 0.534 0.977 0.605 CB 1.498 44 residues pruned to eliminate duplicates Z: 46 32.913 2.100 0.761 0.483 0.933 0.422 CB 1.446 46 residues pruned to eliminate duplicates Z: 71 46.236 2.229 0.674 0.541 0.957 0.600 CB 1.486 71 residues pruned to eliminate duplicates Z: 7 2.456 1.317 0.295 0.296 0.667 0.333 CA 1.108 7 residues pruned to eliminate duplicates Z: 54 27.595 2.075 0.703 0.456 0.830 0.453 CB 1.351 54 residues pruned to eliminate duplicates Z: 97 46.666 2.172 0.618 0.542 0.917 0.615 CB 1.418 104 residues pruned to eliminate duplicates Z: 92 47.587 2.229 0.659 0.511 0.868 0.560 CB 1.538 92 residues pruned to eliminate duplicates Z: 57 29.442 2.112 0.708 0.401 0.839 0.482 CB 1.442 57 residues pruned to eliminate duplicates Z: 51 31.122 2.123 0.706 0.474 0.880 0.440 CB 1.419 51 residues pruned to eliminate duplicates Z: 52 29.386 2.105 0.690 0.457 0.863 0.490 CB 1.401 52 residues pruned to eliminate duplicates Z: 53 33.952 2.119 0.734 0.458 0.923 0.558 CB 1.448 53 residues pruned to eliminate duplicates Z: 53 31.204 2.094 0.783 0.456 0.865 0.577 CB 1.400 53 residues pruned to eliminate duplicates Z: 52 30.579 2.094 0.688 0.434 0.902 0.451 CB 1.438 52 residues pruned to eliminate duplicates Z: 93 43.877 2.184 0.591 0.512 0.891 0.576 CB 1.460 93 residues pruned to eliminate duplicates Z: 51 32.548 2.129 0.711 0.462 0.900 0.500 CB 1.460 51 residues pruned to eliminate duplicates Z: 52 33.303 2.093 0.746 0.475 0.882 0.490 CB 1.484 52 residues pruned to eliminate duplicates Z: 6 5.325 1.636 0.478 0.424 1.000 0.400 CA 1.066 6 residues pruned to eliminate duplicates Z: 16 8.002 2.061 0.536 0.381 0.733 0.467 CB 1.010 16 residues pruned to eliminate duplicates Z: 57 26.395 1.992 0.662 0.471 0.821 0.482 CB 1.335 56 residues pruned to eliminate duplicates 6 1.686 1.862 0.004 0.267 0.400 0.200 CB 1.314 ? Z: 8 4.533 1.722 0.641 0.255 0.571 0.143 N 1.406 8 residues pruned to eliminate duplicates Z: 48 39.781 2.278 0.736 0.579 0.872 0.553 CB 1.560 48 residues pruned to eliminate duplicates Z: 44 41.707 2.344 0.652 0.644 0.907 0.674 CB 1.583 44 residues pruned to eliminate duplicates Z: 40 37.322 2.297 0.625 0.651 0.949 0.718 CB 1.467 40 residues pruned to eliminate duplicates Z: 92 52.565 2.228 0.685 0.570 0.912 0.637 CB 1.503 92 residues pruned to eliminate duplicates Z: 23 42.630 2.398 0.906 0.810 0.955 0.818 CB 1.590 23 residues pruned to eliminate duplicates Z: 50 35.851 2.275 0.499 0.581 0.898 0.714 CB 1.548 50 residues pruned to eliminate duplicates Z: 62 34.001 2.219 0.565 0.534 0.852 0.656 CB 1.423 62 residues pruned to eliminate duplicates Z: 41 42.520 2.373 0.698 0.661 0.925 0.650 CB 1.553 41 residues pruned to eliminate duplicates Z: 37 40.918 2.325 0.712 0.697 0.944 0.750 CB 1.516 37 residues pruned to eliminate duplicates Z: 87 41.282 2.141 0.661 0.476 0.884 0.535 CB 1.452 87 residues pruned to eliminate duplicates Z: 35 41.201 2.286 0.800 0.640 0.971 0.676 CB 1.551 35 residues pruned to eliminate duplicates Z: 97 50.959 2.172 0.701 0.545 0.885 0.542 CB 1.522 97 residues pruned to eliminate duplicates Z: 90 54.189 2.235 0.725 0.562 0.910 0.551 CB 1.542 90 residues pruned to eliminate duplicates Z: 24 37.860 2.345 0.547 0.939 0.957 0.913 CB 1.581 24 residues pruned to eliminate duplicates Z: 63 44.135 2.272 0.745 0.573 0.903 0.710 CB 1.459 63 residues pruned to eliminate duplicates Z: 48 38.914 2.291 0.658 0.595 0.872 0.617 CB 1.564 48 residues pruned to eliminate duplicates Z: 34 39.907 2.241 0.922 0.718 0.909 0.576 CB 1.456 34 residues pruned to eliminate duplicates Z: 50 46.638 2.318 0.864 0.605 0.918 0.612 CB 1.520 50 residues pruned to eliminate duplicates Z: 61 48.067 2.288 0.847 0.596 0.867 0.550 CB 1.547 61 residues pruned to eliminate duplicates Z: 46 51.246 2.284 1.118 0.612 0.933 0.511 CB 1.521 46 residues pruned to eliminate duplicates Z: 40 47.622 2.293 1.097 0.630 0.923 0.564 CB 1.520 40 residues pruned to eliminate duplicates Z: 51 51.854 2.323 1.001 0.614 0.900 0.540 CB 1.573 51 residues pruned to eliminate duplicates Z: 49 44.412 2.293 0.964 0.569 0.854 0.542 CB 1.559 49 residues pruned to eliminate duplicates Z: 38 51.956 2.335 1.085 0.675 0.946 0.676 CB 1.578 38 residues pruned to eliminate duplicates Z: 39 43.418 2.293 1.120 0.635 0.895 0.421 CB 1.427 39 residues pruned to eliminate duplicates Z: 47 47.060 2.301 0.986 0.617 0.870 0.457 CB 1.564 47 residues pruned to eliminate duplicates Z: 47 43.606 2.318 0.840 0.601 0.891 0.435 CB 1.535 47 residues pruned to eliminate duplicates Z: 148 67.005 2.191 0.820 0.550 0.905 0.571 CB 1.459 148 residues pruned to eliminate duplicates Z: 33 47.757 2.242 1.006 0.854 0.906 0.594 CB 1.530 33 residues pruned to eliminate duplicates Z: 47 44.892 2.320 1.003 0.592 0.848 0.478 CB 1.538 47 residues pruned to eliminate duplicates Z: 59 43.376 2.241 0.915 0.582 0.879 0.397 CB 1.394 59 residues pruned to eliminate duplicates Z: 50 50.290 2.273 1.054 0.572 0.878 0.510 CB 1.635 50 residues pruned to eliminate duplicates Z: 89 58.722 2.235 0.892 0.587 0.909 0.580 CB 1.498 89 residues pruned to eliminate duplicates Z: 40 52.067 2.343 1.147 0.671 0.923 0.590 CB 1.534 40 residues pruned to eliminate duplicates Z: 38 49.279 2.285 1.042 0.710 0.919 0.486 CB 1.562 38 residues pruned to eliminate duplicates Z: 51 48.984 2.265 1.041 0.569 0.880 0.480 CB 1.593 51 residues pruned to eliminate duplicates Z: 51 44.703 2.268 0.977 0.566 0.880 0.480 CB 1.503 51 residues pruned to eliminate duplicates Z: 65 47.648 2.244 1.001 0.569 0.875 0.500 CB 1.418 65 residues pruned to eliminate duplicates Z: 8 13.536 2.033 0.509 0.625 1.000 0.714 CA 1.483 8 residues pruned to eliminate duplicates Z: 46 33.353 2.049 0.790 0.535 0.911 0.600 CB 1.438 46 residues pruned to eliminate duplicates Z: 73 38.954 2.109 0.662 0.470 0.917 0.500 CB 1.472 73 residues pruned to eliminate duplicates Z: 67 36.638 2.118 0.643 0.462 0.909 0.500 CB 1.482 67 residues pruned to eliminate duplicates Z: 46 29.809 2.082 0.591 0.488 0.978 0.533 CB 1.389 46 residues pruned to eliminate duplicates Z: 50 30.744 2.122 0.620 0.482 0.918 0.490 CB 1.416 50 residues pruned to eliminate duplicates Z: 37 29.007 2.083 0.668 0.572 0.889 0.500 CB 1.459 37 residues pruned to eliminate duplicates Z: 52 27.734 2.114 0.568 0.468 0.882 0.529 CB 1.371 52 residues pruned to eliminate duplicates Z: 53 33.670 2.140 0.662 0.480 0.942 0.558 CB 1.421 53 residues pruned to eliminate duplicates Z: 46 26.890 2.095 0.499 0.485 0.911 0.644 CB 1.422 46 residues pruned to eliminate duplicates Z: 53 29.004 2.050 0.625 0.472 0.942 0.462 CB 1.318 53 residues pruned to eliminate duplicates Z: 38 29.010 2.070 0.711 0.528 0.919 0.514 CB 1.426 38 residues pruned to eliminate duplicates Z: 52 30.215 2.076 0.639 0.494 0.902 0.569 CB 1.388 52 residues pruned to eliminate duplicates Z: 50 28.730 2.130 0.552 0.482 0.898 0.510 CB 1.408 50 residues pruned to eliminate duplicates Z: 39 29.442 2.106 0.678 0.575 0.921 0.684 CB 1.365 39 residues pruned to eliminate duplicates Z: 34 22.837 2.005 0.664 0.418 0.939 0.636 CB 1.382 34 residues pruned to eliminate duplicates Z: 53 30.121 2.117 0.639 0.463 0.885 0.462 CB 1.412 53 residues pruned to eliminate duplicates Z: 45 26.075 2.018 0.582 0.451 0.909 0.591 CB 1.424 45 residues pruned to eliminate duplicates Z: 28 25.237 2.025 0.671 0.528 0.963 0.630 CB 1.451 28 residues pruned to eliminate duplicates Z: 22 21.510 2.008 0.628 0.666 0.952 0.571 CB 1.293 22 residues pruned to eliminate duplicates Z: 45 30.955 2.105 0.630 0.512 0.909 0.523 CB 1.478 45 residues pruned to eliminate duplicates Z: 48 26.507 2.094 0.555 0.473 0.872 0.468 CB 1.399 48 residues pruned to eliminate duplicates Z: 50 31.751 2.140 0.554 0.507 0.959 0.571 CB 1.412 50 residues pruned to eliminate duplicates Z: 52 28.860 2.095 0.572 0.481 0.922 0.569 CB 1.357 52 residues pruned to eliminate duplicates Z: 101 50.877 2.231 0.689 0.548 0.900 0.610 CB 1.430 101 residues pruned to eliminate duplicates Z: 51 29.893 2.114 0.606 0.485 0.920 0.500 CB 1.373 51 residues pruned to eliminate duplicates Z: 124 57.182 2.192 0.663 0.545 0.911 0.593 CB 1.487 124 residues pruned to eliminate duplicates Z: 39 29.506 2.109 0.716 0.547 0.921 0.474 CB 1.371 39 residues pruned to eliminate duplicates Z: 39 29.693 2.076 0.713 0.520 0.947 0.500 CB 1.402 39 residues pruned to eliminate duplicates Z: 94 51.364 2.226 0.685 0.544 0.903 0.602 CB 1.507 94 residues pruned to eliminate duplicates Z: 37 25.515 2.078 0.573 0.461 0.917 0.472 CB 1.477 37 residues pruned to eliminate duplicates Z: 137 56.701 2.197 0.665 0.492 0.875 0.559 CB 1.531 137 residues pruned to eliminate duplicates Z: 45 29.102 2.130 0.547 0.476 0.932 0.477 CB 1.464 45 residues pruned to eliminate duplicates Z: 46 25.544 2.064 0.584 0.458 0.911 0.467 CB 1.334 46 residues pruned to eliminate duplicates Z: 104 58.961 2.218 0.788 0.550 0.922 0.544 CB 1.512 104 residues pruned to eliminate duplicates Z: 36 22.527 2.042 0.537 0.435 0.886 0.486 CB 1.466 36 residues pruned to eliminate duplicates Z: 83 53.377 2.203 0.789 0.559 0.927 0.561 CB 1.525 83 residues pruned to eliminate duplicates Z: 47 30.721 2.080 0.630 0.501 0.957 0.543 CB 1.396 47 residues pruned to eliminate duplicates Z: 42 23.395 2.105 0.545 0.433 0.829 0.488 CB 1.451 42 residues pruned to eliminate duplicates Z: 24 15.234 2.056 0.686 0.454 0.783 0.565 CB 1.227 24 residues pruned to eliminate duplicates Z: 52 27.987 2.087 0.574 0.484 0.882 0.510 CB 1.374 52 residues pruned to eliminate duplicates Z: 106 65.732 2.321 0.747 0.568 0.933 0.629 CB 1.587 106 residues pruned to eliminate duplicates Z: 92 52.022 2.228 0.698 0.548 0.923 0.571 CB 1.490 92 residues pruned to eliminate duplicates Z: 52 30.259 2.105 0.617 0.477 0.941 0.549 CB 1.353 52 residues pruned to eliminate duplicates Z: 52 30.853 2.108 0.627 0.519 0.902 0.569 CB 1.371 52 residues pruned to eliminate duplicates Z: 50 24.237 2.074 0.499 0.453 0.878 0.571 CB 1.331 50 residues pruned to eliminate duplicates Z: 83 54.520 2.226 0.749 0.593 0.951 0.610 CB 1.488 83 residues pruned to eliminate duplicates Z: 76 47.190 2.222 0.705 0.574 0.933 0.627 CB 1.435 76 residues pruned to eliminate duplicates Z: 55 37.267 2.264 0.685 0.538 0.889 0.630 CB 1.440 55 residues pruned to eliminate duplicates Z: 56 45.969 2.290 0.755 0.588 0.927 0.582 CB 1.528 56 residues pruned to eliminate duplicates Z: 38 38.325 2.312 0.681 0.651 0.892 0.676 CB 1.580 38 residues pruned to eliminate duplicates Z: 39 39.616 2.305 0.818 0.659 0.868 0.711 CB 1.524 39 residues pruned to eliminate duplicates Z: 58 41.554 2.175 0.719 0.582 0.912 0.667 CB 1.491 58 residues pruned to eliminate duplicates Z: 93 47.853 2.207 0.635 0.541 0.902 0.598 CB 1.472 93 residues pruned to eliminate duplicates Z: 29 35.097 2.306 0.935 0.580 0.893 0.679 CB 1.541 29 residues pruned to eliminate duplicates Z: 83 54.626 2.228 0.786 0.585 0.939 0.646 CB 1.487 83 residues pruned to eliminate duplicates Z: 42 44.892 2.277 0.888 0.601 0.902 0.561 CB 1.641 42 residues pruned to eliminate duplicates Z: 49 43.599 2.337 0.861 0.585 0.875 0.667 CB 1.525 49 residues pruned to eliminate duplicates Z: 30 45.166 2.299 0.924 0.747 0.931 0.690 CA 1.634 30 residues pruned to eliminate duplicates Z: 44 45.720 2.273 0.910 0.608 0.907 0.651 CB 1.599 44 residues pruned to eliminate duplicates Z: 94 52.876 2.210 0.746 0.555 0.914 0.581 CB 1.474 94 residues pruned to eliminate duplicates Z: 32 51.109 2.328 0.974 0.749 0.968 0.710 CB 1.653 32 residues pruned to eliminate duplicates Z: 52 44.875 2.290 0.862 0.630 0.882 0.549 CB 1.478 52 residues pruned to eliminate duplicates Z: 95 70.457 2.328 0.889 0.609 0.957 0.617 CB 1.556 95 residues pruned to eliminate duplicates Z: 108 64.889 2.331 0.754 0.544 0.907 0.551 CB 1.622 108 residues pruned to eliminate duplicates Z: 40 43.036 2.325 0.790 0.653 0.923 0.564 CB 1.555 40 residues pruned to eliminate duplicates Z: 93 53.663 2.216 0.764 0.549 0.913 0.565 CB 1.495 93 residues pruned to eliminate duplicates Z: 94 51.337 2.218 0.811 0.548 0.860 0.570 CB 1.470 94 residues pruned to eliminate duplicates Z: 82 52.314 2.232 0.703 0.594 0.938 0.556 CB 1.490 82 residues pruned to eliminate duplicates Z: 107 73.194 2.340 0.855 0.584 0.943 0.613 CB 1.602 107 residues pruned to eliminate duplicates Z: 48 50.500 2.301 1.083 0.583 0.915 0.489 CB 1.551 48 residues pruned to eliminate duplicates Z: 64 45.665 2.265 0.864 0.556 0.873 0.476 CB 1.478 64 residues pruned to eliminate duplicates Z: 100 53.914 2.203 0.773 0.556 0.909 0.515 CB 1.444 100 residues pruned to eliminate duplicates Z: 40 45.574 2.313 0.989 0.629 0.872 0.462 CB 1.612 40 residues pruned to eliminate duplicates Z: 53 41.047 2.274 0.877 0.554 0.846 0.519 CB 1.495 53 residues pruned to eliminate duplicates Z: 99 59.952 2.225 0.901 0.590 0.898 0.531 CB 1.463 99 residues pruned to eliminate duplicates Z: 52 42.705 2.270 1.000 0.516 0.843 0.373 CB 1.537 52 residues pruned to eliminate duplicates Z: 49 49.283 2.306 1.044 0.562 0.896 0.438 CB 1.585 49 residues pruned to eliminate duplicates Z: 60 42.579 2.206 0.891 0.496 0.881 0.475 CB 1.513 60 residues pruned to eliminate duplicates Z: 48 49.124 2.291 0.987 0.622 0.936 0.489 CB 1.498 48 residues pruned to eliminate duplicates Z: 102 56.507 2.208 0.823 0.558 0.921 0.465 CB 1.434 102 residues pruned to eliminate duplicates Z: 48 43.811 2.245 0.748 0.659 0.915 0.745 CB 1.536 48 residues pruned to eliminate duplicates Z: 48 48.436 2.275 1.057 0.609 0.894 0.468 CB 1.523 48 residues pruned to eliminate duplicates Z: 52 48.049 2.311 0.951 0.575 0.882 0.471 CB 1.573 52 residues pruned to eliminate duplicates Z: 39 50.695 2.326 1.004 0.671 0.974 0.553 CB 1.546 39 residues pruned to eliminate duplicates Z: 56 43.617 2.212 0.957 0.544 0.873 0.509 CB 1.491 56 residues pruned to eliminate duplicates Z: 48 43.999 2.279 0.877 0.598 0.894 0.426 CB 1.530 48 residues pruned to eliminate duplicates Z: 11 8.546 2.245 0.542 0.245 0.700 0.400 CB 1.497 11 residues pruned to eliminate duplicates Z: 41 48.698 2.245 1.087 0.644 0.925 0.275 CB 1.553 41 residues pruned to eliminate duplicates Z: 49 43.590 2.286 0.889 0.626 0.917 0.500 CB 1.411 49 residues pruned to eliminate duplicates Z: 98 71.682 2.344 0.891 0.592 0.918 0.546 CB 1.639 98 residues pruned to eliminate duplicates Z: 107 71.516 2.365 0.821 0.563 0.934 0.604 CB 1.625 107 residues pruned to eliminate duplicates Z: 64 44.150 2.252 0.862 0.543 0.841 0.492 CB 1.513 64 residues pruned to eliminate duplicates Z: 51 37.323 2.148 0.717 0.545 0.900 0.620 CB 1.523 51 residues pruned to eliminate duplicates Z: 123 66.383 2.234 0.774 0.592 0.959 0.508 CB 1.448 123 residues pruned to eliminate duplicates Z: 33 39.937 2.299 0.800 0.674 1.000 0.781 CB 1.453 33 residues pruned to eliminate duplicates Z: 42 36.569 2.269 0.732 0.590 0.902 0.610 CB 1.478 42 residues pruned to eliminate duplicates Z: 35 37.898 2.278 0.766 0.617 0.912 0.647 CB 1.586 35 residues pruned to eliminate duplicates Z: 35 38.919 2.250 0.727 0.582 0.941 0.588 CB 1.687 35 residues pruned to eliminate duplicates Z: 38 39.957 2.271 0.867 0.591 0.946 0.622 CB 1.501 38 residues pruned to eliminate duplicates Z: 36 33.434 2.200 0.724 0.608 0.971 0.657 CB 1.384 36 residues pruned to eliminate duplicates Z: 53 42.607 2.317 0.675 0.553 0.923 0.673 CB 1.566 53 residues pruned to eliminate duplicates Z: 131 67.672 2.244 0.856 0.572 0.915 0.538 CB 1.452 131 residues pruned to eliminate duplicates Z: 111 66.050 2.290 0.819 0.542 0.936 0.500 CB 1.550 111 residues pruned to eliminate duplicates Z: 27 31.542 2.245 0.575 0.653 0.923 0.577 CB 1.643 27 residues pruned to eliminate duplicates Z: 50 33.954 2.215 0.599 0.562 0.918 0.551 CB 1.404 40 residues pruned to eliminate duplicates Z: 20 33.559 2.326 0.439 0.863 1.000 0.842 CB 1.689 20 residues pruned to eliminate duplicates Z: 33 42.769 2.305 0.816 0.704 0.969 0.719 CB 1.549 30 residues pruned to eliminate duplicates Z: 19 32.711 2.338 0.534 0.857 0.944 0.722 CB 1.676 19 residues pruned to eliminate duplicates Z: 77 59.600 2.296 0.898 0.625 0.908 0.566 CB 1.536 41 residues pruned to eliminate duplicates Z: 19 36.117 2.339 0.595 0.849 1.000 0.722 CB 1.692 19 residues pruned to eliminate duplicates Z: 33 42.151 2.398 0.744 0.588 0.938 0.719 CB 1.747 33 residues pruned to eliminate duplicates Z: 42 35.985 2.267 0.605 0.607 0.951 0.585 CB 1.467 42 residues pruned to eliminate duplicates Z: 107 69.846 2.308 0.884 0.569 0.934 0.500 CB 1.563 97 residues pruned to eliminate duplicates Z: 20 34.525 2.344 0.648 0.848 0.947 0.632 CB 1.606 20 residues pruned to eliminate duplicates Z: 78 59.283 2.292 0.958 0.605 0.870 0.558 CB 1.565 78 residues pruned to eliminate duplicates Z: 152 75.064 2.284 0.789 0.559 0.921 0.576 CB 1.534 108 residues pruned to eliminate duplicates Z: 20 37.808 2.362 0.608 0.875 1.000 0.632 CB 1.661 20 residues pruned to eliminate duplicates Z: 43 35.102 2.260 0.744 0.525 0.881 0.548 CB 1.521 43 residues pruned to eliminate duplicates Z: 37 40.296 2.325 0.713 0.626 0.944 0.583 CB 1.585 37 residues pruned to eliminate duplicates Z: 37 31.724 2.218 0.643 0.578 0.861 0.417 CB 1.563 37 residues pruned to eliminate duplicates Z: 53 39.314 2.285 0.682 0.538 0.885 0.596 CB 1.545 53 residues pruned to eliminate duplicates Z: 99 69.982 2.333 0.834 0.599 0.949 0.551 CB 1.584 99 residues pruned to eliminate duplicates Z: 13 15.818 2.204 0.859 0.405 0.833 0.333 CB 1.478 13 residues pruned to eliminate duplicates Z: 98 55.272 2.273 0.780 0.557 0.887 0.454 CB 1.480 98 residues pruned to eliminate duplicates Z: 101 67.597 2.299 0.829 0.596 0.920 0.550 CB 1.593 101 residues pruned to eliminate duplicates Z: 99 68.434 2.369 0.835 0.582 0.918 0.510 CB 1.600 99 residues pruned to eliminate duplicates Z: 64 56.970 2.346 0.766 0.575 0.952 0.635 CB 1.691 64 residues pruned to eliminate duplicates Z: 17 19.915 2.318 0.730 0.365 0.875 0.750 CB 1.640 17 residues pruned to eliminate duplicates Z: 63 51.154 2.324 0.800 0.547 0.952 0.613 CB 1.558 63 residues pruned to eliminate duplicates Z: 13 25.046 2.488 0.946 0.527 0.833 0.833 CA 1.744 13 residues pruned to eliminate duplicates Z: 44 41.322 2.322 0.739 0.587 0.860 0.674 CB 1.669 44 residues pruned to eliminate duplicates Z: 25 39.651 2.366 0.945 0.486 1.000 0.750 CB 1.783 25 residues pruned to eliminate duplicates Z: 98 75.302 2.372 0.925 0.614 0.918 0.619 CB 1.638 98 residues pruned to eliminate duplicates Z: 26 32.196 2.409 0.815 0.438 0.960 0.600 CB 1.635 26 residues pruned to eliminate duplicates Z: 25 31.686 2.375 0.677 0.444 0.917 0.583 CB 1.878 25 residues pruned to eliminate duplicates Z: 25 32.901 2.329 0.840 0.432 1.000 0.625 CB 1.681 25 residues pruned to eliminate duplicates Z: 23 32.241 2.444 0.962 0.416 0.909 0.591 CB 1.723 23 residues pruned to eliminate duplicates Z: 22 30.086 2.401 0.805 0.410 0.952 0.524 CB 1.748 22 residues pruned to eliminate duplicates Z: 55 52.302 2.386 0.789 0.536 0.963 0.556 CB 1.671 55 residues pruned to eliminate duplicates Z: 22 38.426 2.480 0.794 0.532 1.000 0.667 CB 1.827 22 residues pruned to eliminate duplicates Z: 20 39.069 2.491 0.948 0.480 1.000 0.789 CB 1.885 20 residues pruned to eliminate duplicates Z: 51 38.347 2.174 0.749 0.499 0.960 0.500 CB 1.487 51 residues pruned to eliminate duplicates Z: 55 47.441 2.390 0.649 0.517 0.944 0.574 CB 1.707 55 residues pruned to eliminate duplicates Z: 24 29.674 2.371 0.710 0.426 0.913 0.565 CA 1.805 24 residues pruned to eliminate duplicates Z: 12 16.591 2.224 0.646 0.434 0.909 0.455 CB 1.609 12 residues pruned to eliminate duplicates Z: 25 39.305 2.400 0.891 0.513 1.000 0.667 CB 1.744 25 residues pruned to eliminate duplicates Z: 9 11.926 2.133 0.412 0.585 0.875 0.625 CB 1.475 9 residues pruned to eliminate duplicates Z: 6 3.568 1.736 0.637 0.440 1.000 0.200 CB 0.597 6 residues pruned to eliminate duplicates Z: 6 2.756 1.848 0.300 0.247 0.600 0.600 CB 1.144 6 residues pruned to eliminate duplicates Z: 33 21.840 2.002 0.644 0.484 0.938 0.531 CB 1.272 33 residues pruned to eliminate duplicates Z: 70 37.114 2.099 0.580 0.568 0.913 0.652 CB 1.382 70 residues pruned to eliminate duplicates Z: 35 20.433 1.798 0.632 0.466 0.941 0.529 CB 1.314 35 residues pruned to eliminate duplicates Z: 28 20.348 1.889 0.631 0.462 0.963 0.519 CB 1.372 28 residues pruned to eliminate duplicates Z: 35 17.455 1.919 0.507 0.417 0.912 0.500 CB 1.238 35 residues pruned to eliminate duplicates Z: 10 4.229 1.880 1.032 0.194 0.556 0.222 CB 0.957 10 residues pruned to eliminate duplicates Z: 35 21.058 1.972 0.560 0.467 0.971 0.559 CB 1.251 35 residues pruned to eliminate duplicates Z: 29 19.417 1.921 0.473 0.456 0.964 0.536 CB 1.408 29 residues pruned to eliminate duplicates Z: 29 16.390 2.089 0.474 0.387 0.821 0.357 CB 1.381 29 residues pruned to eliminate duplicates Z: 41 17.003 1.954 0.423 0.388 0.850 0.400 CB 1.280 41 residues pruned to eliminate duplicates Z: 27 18.815 1.981 0.486 0.492 0.923 0.500 CB 1.369 27 residues pruned to eliminate duplicates Z: 31 16.217 1.870 0.575 0.378 0.867 0.400 CB 1.322 31 residues pruned to eliminate duplicates Z: 28 19.859 1.978 0.595 0.469 0.963 0.519 CB 1.299 28 residues pruned to eliminate duplicates Z: 23 19.097 2.111 0.753 0.432 0.864 0.455 CB 1.366 23 residues pruned to eliminate duplicates Z: 42 16.508 1.915 0.415 0.382 0.878 0.439 CB 1.228 42 residues pruned to eliminate duplicates Z: 61 38.717 2.145 0.691 0.596 0.883 0.650 CB 1.424 61 residues pruned to eliminate duplicates Z: 71 40.598 2.097 0.648 0.592 0.914 0.643 CB 1.407 71 residues pruned to eliminate duplicates Z: 53 40.384 2.182 0.733 0.633 0.904 0.692 CB 1.445 53 residues pruned to eliminate duplicates Z: 38 27.527 2.167 0.589 0.459 0.919 0.568 CB 1.492 38 residues pruned to eliminate duplicates Z: 19 17.165 1.985 0.686 0.538 0.944 0.667 CB 1.233 19 residues pruned to eliminate duplicates Z: 64 31.655 2.080 0.573 0.549 0.889 0.698 CB 1.308 64 residues pruned to eliminate duplicates Z: 72 42.620 2.082 0.661 0.603 0.944 0.620 CB 1.406 74 residues pruned to eliminate duplicates Z: 6 5.821 1.647 0.471 0.371 1.000 0.600 N 1.234 6 residues pruned to eliminate duplicates Z: 72 37.265 2.065 0.575 0.596 0.901 0.676 CB 1.376 72 residues pruned to eliminate duplicates Z: 21 16.323 2.036 0.549 0.516 0.850 0.450 CB 1.341 21 residues pruned to eliminate duplicates Z: 55 31.918 2.142 0.517 0.599 0.889 0.685 CB 1.369 55 residues pruned to eliminate duplicates Z: 69 40.290 2.130 0.568 0.604 0.926 0.662 CB 1.430 69 residues pruned to eliminate duplicates Z: 48 33.489 2.116 0.597 0.577 0.915 0.723 CB 1.467 48 residues pruned to eliminate duplicates Z: 47 30.792 2.117 0.546 0.583 0.870 0.696 CB 1.473 47 residues pruned to eliminate duplicates Z: 82 37.740 2.071 0.583 0.556 0.889 0.580 CB 1.363 82 residues pruned to eliminate duplicates Z: 45 33.685 2.150 0.619 0.592 0.932 0.750 CB 1.433 45 residues pruned to eliminate duplicates Z: 62 34.682 2.126 0.583 0.597 0.902 0.639 CB 1.334 62 residues pruned to eliminate duplicates Z: 24 35.548 2.280 0.632 0.808 0.957 0.826 CB 1.593 24 residues pruned to eliminate duplicates Z: 38 34.765 2.193 0.606 0.647 0.892 0.730 CB 1.587 38 residues pruned to eliminate duplicates Z: 86 45.681 2.129 0.585 0.618 0.906 0.671 CB 1.451 90 residues pruned to eliminate duplicates Z: 24 32.795 2.142 0.646 0.914 1.000 0.739 CB 1.371 24 residues pruned to eliminate duplicates Z: 40 38.617 2.202 0.679 0.660 0.949 0.692 CB 1.520 40 residues pruned to eliminate duplicates Z: 74 35.938 2.049 0.647 0.541 0.904 0.630 CB 1.325 74 residues pruned to eliminate duplicates Z: 90 43.391 2.102 0.587 0.598 0.888 0.584 CB 1.414 90 residues pruned to eliminate duplicates Z: 75 34.105 2.058 0.673 0.491 0.851 0.514 CB 1.365 161 residues pruned to eliminate duplicates Z: 24 36.025 2.173 0.695 0.930 0.957 0.739 CB 1.490 24 residues pruned to eliminate duplicates Z: 26 44.022 2.264 0.912 0.869 0.960 0.760 CB 1.548 26 residues pruned to eliminate duplicates Z: 47 34.211 2.146 0.669 0.588 0.913 0.565 CB 1.418 47 residues pruned to eliminate duplicates Z: 60 37.729 2.124 0.701 0.588 0.898 0.559 CB 1.391 60 residues pruned to eliminate duplicates Z: 28 38.143 2.208 0.720 0.799 0.963 0.704 CB 1.545 28 residues pruned to eliminate duplicates Z: 47 34.044 2.136 0.675 0.587 0.891 0.652 CB 1.448 47 residues pruned to eliminate duplicates Z: 38 32.167 2.084 0.778 0.637 0.892 0.514 CB 1.407 38 residues pruned to eliminate duplicates Z: 72 43.080 2.078 0.836 0.576 0.915 0.408 CB 1.360 72 residues pruned to eliminate duplicates Z: 115 56.399 2.145 0.704 0.573 0.930 0.526 CB 1.449 115 residues pruned to eliminate duplicates Z: 40 37.888 2.156 0.898 0.641 0.923 0.487 CB 1.408 40 residues pruned to eliminate duplicates Z: 44 35.904 2.130 0.806 0.625 0.907 0.465 CB 1.394 44 residues pruned to eliminate duplicates Z: 37 40.899 2.161 0.871 0.713 0.944 0.667 CB 1.472 37 residues pruned to eliminate duplicates Z: 69 47.967 2.157 0.818 0.593 0.926 0.588 CB 1.465 69 residues pruned to eliminate duplicates Z: 49 34.138 2.103 0.815 0.585 0.896 0.521 CB 1.329 49 residues pruned to eliminate duplicates Z: 78 51.333 2.128 0.694 0.665 0.948 0.584 CB 1.469 78 residues pruned to eliminate duplicates Z: 75 45.793 2.133 0.837 0.498 0.878 0.527 CB 1.551 75 residues pruned to eliminate duplicates Z: 39 37.007 2.106 0.869 0.668 0.921 0.447 CB 1.418 39 residues pruned to eliminate duplicates Z: 48 36.415 2.124 0.819 0.579 0.894 0.362 CB 1.426 48 residues pruned to eliminate duplicates Z: 111 57.597 2.171 0.675 0.576 0.936 0.582 CB 1.499 111 residues pruned to eliminate duplicates Z: 45 38.951 2.148 0.759 0.663 0.932 0.591 CB 1.434 45 residues pruned to eliminate duplicates Z: 10 6.300 1.879 0.310 0.281 0.889 0.444 CB 1.228 10 residues pruned to eliminate duplicates Z: 14 6.261 1.762 0.469 0.189 0.692 0.385 CB 1.405 14 residues pruned to eliminate duplicates Z: 48 37.302 2.143 0.803 0.576 0.915 0.468 CB 1.431 48 residues pruned to eliminate duplicates Z: 82 42.141 2.074 0.707 0.552 0.926 0.481 CB 1.358 82 residues pruned to eliminate duplicates Z: 37 35.787 2.098 0.813 0.725 0.917 0.500 CB 1.397 37 residues pruned to eliminate duplicates Z: 47 38.814 2.150 0.836 0.595 0.913 0.500 CB 1.451 47 residues pruned to eliminate duplicates Z: 49 38.401 2.065 0.923 0.589 0.896 0.667 CB 1.431 49 residues pruned to eliminate duplicates Z: 41 32.260 2.124 0.593 0.609 0.925 0.625 CB 1.469 Z: 6 4.499 1.634 0.493 0.443 0.800 0.600 CB 1.093 6 residues pruned to eliminate duplicates Z: 26 23.451 2.106 0.504 0.619 0.960 0.680 CB 1.378 25 residues pruned to eliminate duplicates Z: 6 3.604 1.506 0.365 0.415 0.800 0.800 CA 1.071 6 residues pruned to eliminate duplicates Z: 63 40.051 2.175 0.582 0.536 0.919 0.613 CB 1.552 42 residues pruned to eliminate duplicates Z: 24 26.364 2.091 0.529 0.764 0.913 0.652 CB 1.490 24 residues pruned to eliminate duplicates Z: 47 35.491 2.159 0.607 0.622 0.891 0.674 CB 1.508 47 residues pruned to eliminate duplicates Z: 21 23.915 2.063 0.448 0.828 0.900 0.750 CA 1.498 21 residues pruned to eliminate duplicates Z: 51 36.875 2.205 0.627 0.546 0.900 0.660 CB 1.544 51 residues pruned to eliminate duplicates Z: 63 47.020 2.212 0.669 0.588 0.952 0.629 CB 1.562 66 residues pruned to eliminate duplicates Z: 17 25.719 2.197 0.306 0.891 1.000 0.750 CA 1.611 17 residues pruned to eliminate duplicates Z: 63 40.921 2.187 0.547 0.547 0.935 0.694 CB 1.568 63 residues pruned to eliminate duplicates Z: 62 46.663 2.229 0.608 0.565 0.967 0.689 CB 1.619 62 residues pruned to eliminate duplicates Z: 53 40.621 2.227 0.725 0.542 0.885 0.673 CB 1.591 53 residues pruned to eliminate duplicates Z: 63 44.192 2.230 0.552 0.578 0.952 0.661 CB 1.580 63 residues pruned to eliminate duplicates Z: 34 29.610 2.126 0.630 0.581 0.909 0.667 CB 1.513 34 residues pruned to eliminate duplicates Z: 59 45.649 2.248 0.619 0.566 0.948 0.672 CB 1.630 59 residues pruned to eliminate duplicates Z: 37 30.524 2.132 0.669 0.593 0.917 0.639 CB 1.427 37 residues pruned to eliminate duplicates Z: 50 42.481 2.256 0.734 0.616 0.939 0.633 CB 1.481 50 residues pruned to eliminate duplicates Z: 60 45.315 2.200 0.673 0.559 0.949 0.644 CB 1.594 60 residues pruned to eliminate duplicates Z: 42 36.924 2.150 0.593 0.641 0.976 0.659 CB 1.513 42 residues pruned to eliminate duplicates Z: 37 34.374 2.157 0.636 0.646 0.944 0.639 CB 1.500 37 residues pruned to eliminate duplicates Z: 57 47.756 2.250 0.620 0.575 0.982 0.679 CB 1.658 57 residues pruned to eliminate duplicates Z: 20 28.273 2.155 0.601 0.851 0.895 0.684 CB 1.555 20 residues pruned to eliminate duplicates Z: 63 50.323 2.235 0.666 0.602 0.984 0.661 CB 1.584 61 residues pruned to eliminate duplicates Z: 24 28.789 2.098 0.626 0.782 0.957 0.478 CB 1.435 24 residues pruned to eliminate duplicates Z: 36 34.926 2.115 0.704 0.623 0.943 0.686 CA 1.547 36 residues pruned to eliminate duplicates Z: 60 44.169 2.247 0.577 0.566 0.966 0.644 CB 1.576 60 residues pruned to eliminate duplicates Z: 59 45.933 2.226 0.624 0.574 0.983 0.655 CB 1.582 59 residues pruned to eliminate duplicates Z: 46 32.117 2.076 0.515 0.586 0.956 0.578 CB 1.467 46 residues pruned to eliminate duplicates Z: 57 44.639 2.266 0.543 0.551 0.964 0.589 CB 1.683 57 residues pruned to eliminate duplicates Z: 26 32.157 2.338 0.742 0.438 0.960 0.640 CB 1.753 26 residues pruned to eliminate duplicates Z: 63 43.194 2.210 0.552 0.543 0.952 0.677 CB 1.611 63 residues pruned to eliminate duplicates Z: 61 42.344 2.199 0.670 0.536 0.933 0.650 CB 1.539 61 residues pruned to eliminate duplicates Z: 7 5.784 1.487 0.758 0.408 1.000 0.667 N 0.995 7 residues pruned to eliminate duplicates Z: 29 30.619 2.260 0.748 0.435 1.000 0.571 CB 1.566 29 residues pruned to eliminate duplicates Z: 63 40.872 2.223 0.534 0.545 0.968 0.613 CB 1.506 63 residues pruned to eliminate duplicates Z: 28 29.922 2.274 0.661 0.478 0.963 0.704 CB 1.619 28 residues pruned to eliminate duplicates Z: 24 27.819 2.331 0.654 0.455 0.913 0.609 CB 1.725 24 residues pruned to eliminate duplicates Z: 50 37.340 2.184 0.708 0.508 0.959 0.571 CB 1.478 50 residues pruned to eliminate duplicates Z: 24 26.189 2.279 0.760 0.441 0.870 0.565 CB 1.664 24 residues pruned to eliminate duplicates Z: 63 42.212 2.210 0.630 0.561 0.903 0.677 CB 1.553 63 residues pruned to eliminate duplicates Z: 7 3.331 1.662 0.893 0.331 0.667 0.333 CA 0.780 7 residues pruned to eliminate duplicates Z: 26 27.821 2.235 0.809 0.526 0.840 0.680 CB 1.597 26 residues pruned to eliminate duplicates Z: 26 37.855 2.338 0.853 0.537 0.960 0.720 CB 1.755 26 residues pruned to eliminate duplicates Z: 6 2.788 1.467 0.186 0.856 1.000 0.800 CB 0.529 6 residues pruned to eliminate duplicates Z: 8 6.135 1.531 0.396 0.846 0.857 0.571 CB 0.940 7 residues pruned to eliminate duplicates Z: 6 4.646 1.504 0.356 0.848 1.000 0.600 CB 0.756 7 residues pruned to eliminate duplicates Z: 7 3.831 1.400 0.142 0.830 1.000 0.667 CB 0.735 6 residues pruned to eliminate duplicates Z: 7 12.528 2.067 1.291 0.366 0.833 0.667 CA 1.497 7 residues pruned to eliminate duplicates Z: 37 33.635 2.183 0.642 0.590 0.861 0.583 CB 1.666 37 residues pruned to eliminate duplicates Z: 62 47.365 2.263 0.621 0.587 0.967 0.672 CB 1.573 62 residues pruned to eliminate duplicates Z: 39 41.364 2.263 0.743 0.662 0.947 0.737 CB 1.546 39 residues pruned to eliminate duplicates Z: 41 34.209 2.205 0.637 0.600 0.950 0.750 CB 1.434 41 residues pruned to eliminate duplicates Z: 33 39.364 2.296 0.658 0.697 0.969 0.656 CB 1.576 33 residues pruned to eliminate duplicates Z: 64 36.722 2.190 0.599 0.519 0.889 0.635 CB 1.458 64 residues pruned to eliminate duplicates Z: 35 29.283 2.142 0.638 0.587 0.882 0.559 CB 1.492 35 residues pruned to eliminate duplicates Z: 55 44.718 2.244 0.739 0.566 0.981 0.667 CB 1.490 55 residues pruned to eliminate duplicates Z: 109 56.996 2.201 0.787 0.561 0.889 0.528 CB 1.479 109 residues pruned to eliminate duplicates Z: 130 62.402 2.190 0.787 0.564 0.899 0.496 CB 1.467 130 residues pruned to eliminate duplicates Z: 63 49.698 2.245 0.762 0.589 0.968 0.613 CB 1.515 63 residues pruned to eliminate duplicates Z: 41 34.185 2.182 0.672 0.644 0.950 0.625 CB 1.364 41 residues pruned to eliminate duplicates Z: 43 32.218 2.173 0.597 0.576 0.881 0.571 CB 1.511 43 residues pruned to eliminate duplicates Z: 33 39.315 2.298 0.772 0.679 0.969 0.688 CB 1.494 33 residues pruned to eliminate duplicates Z: 35 37.256 2.230 0.669 0.620 0.971 0.500 CB 1.579 35 residues pruned to eliminate duplicates Z: 28 30.303 2.334 0.622 0.572 0.963 0.481 CB 1.492 28 residues pruned to eliminate duplicates Z: 27 32.836 2.381 0.537 0.611 1.000 0.654 CB 1.583 27 residues pruned to eliminate duplicates 424 residues left after pruning, divided into chains as follows: A: 6 B: 83 C: 252 D: 25 E: 34 F: 24 CC for partial structure against native data = 43.76 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.505, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.585, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.712, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 0.732, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.750, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.758, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.773, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.774, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2309 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 536 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 31.005 2.278 0.381 0.849 1.000 0.737 CB 1.676 B: 13 29.312 2.407 0.881 0.515 1.000 0.667 CA 1.840 C: 18 33.134 2.354 0.481 0.902 0.941 0.647 CB 1.747 18 residues pruned to eliminate duplicates D: 25 36.634 2.414 0.805 0.513 1.000 0.625 CB 1.693 E: 14 15.247 2.058 0.857 0.553 0.923 0.846 CB 1.139 F: 16 34.246 2.392 0.458 0.878 1.000 0.733 CA 1.840 16 residues pruned to eliminate duplicates G: 17 33.962 2.406 0.453 0.932 1.000 0.938 CB 1.696 H: 20 17.869 1.945 0.737 0.418 0.895 0.474 CA 1.477 20 residues pruned to eliminate duplicates I: 16 43.706 2.416 1.203 0.934 0.933 0.800 CB 1.584 J: 20 31.153 2.277 0.392 0.892 1.000 0.895 CA 1.620 20 residues pruned to eliminate duplicates K: 62 44.670 2.214 0.620 0.568 0.967 0.607 CB 1.543 L: 31 28.137 2.288 0.780 0.427 0.867 0.567 CB 1.569 14 residues pruned to eliminate duplicates M: 19 41.199 2.433 0.728 0.951 1.000 0.833 CB 1.592 19 residues pruned to eliminate duplicates N: 20 30.517 2.239 0.425 0.863 1.000 0.684 CB 1.610 20 residues pruned to eliminate duplicates O: 13 36.797 2.499 1.115 0.926 0.917 0.833 CB 1.537 13 residues pruned to eliminate duplicates P: 69 45.172 2.300 0.693 0.552 0.897 0.588 CB 1.491 16 residues pruned to eliminate duplicates Q: 40 29.911 2.128 0.651 0.452 0.974 0.538 CB 1.470 25 residues pruned to eliminate duplicates R: 102 67.777 2.334 0.881 0.562 0.901 0.554 CB 1.605 48 residues pruned to eliminate duplicates S: 19 34.279 2.302 0.612 0.876 0.944 0.722 CB 1.676 19 residues pruned to eliminate duplicates T: 24 44.930 2.338 1.022 0.945 0.957 0.348 CB 1.433 24 residues pruned to eliminate duplicates U: 13 24.084 2.085 0.946 0.679 1.000 0.833 CB 1.454 14 residues pruned to eliminate duplicates V: 25 29.395 2.309 0.544 0.496 1.000 0.583 CB 1.689 22 residues pruned to eliminate duplicates W: 19 29.033 2.231 0.388 0.880 0.944 0.722 CB 1.696 19 residues pruned to eliminate duplicates X: 18 32.974 2.370 0.531 0.898 0.882 0.706 CB 1.786 18 residues pruned to eliminate duplicates Y: 25 40.342 2.313 0.501 0.930 1.000 0.958 CB 1.658 25 residues pruned to eliminate duplicates Z: 25 31.636 2.402 0.828 0.445 0.875 0.542 CB 1.779 25 residues pruned to eliminate duplicates Z: 30 30.760 2.175 0.729 0.500 0.931 0.621 CB 1.632 30 residues pruned to eliminate duplicates Z: 25 35.787 2.340 0.809 0.556 0.958 0.750 CB 1.705 25 residues pruned to eliminate duplicates Z: 22 39.993 2.215 0.729 0.945 1.000 0.810 CB 1.577 Z: 15 25.011 2.329 0.941 0.495 0.929 0.643 CB 1.601 15 residues pruned to eliminate duplicates Z: 19 34.841 2.333 0.485 0.880 1.000 0.722 CB 1.717 20 residues pruned to eliminate duplicates Z: 48 32.559 2.121 0.629 0.517 1.000 0.511 CB 1.352 48 residues pruned to eliminate duplicates Z: 19 29.965 2.276 0.465 0.869 0.944 0.778 CB 1.637 19 residues pruned to eliminate duplicates Z: 50 27.616 1.960 0.668 0.443 0.939 0.551 CB 1.363 29 residues pruned to eliminate duplicates Z: 21 26.715 2.255 0.685 0.792 0.950 0.550 CB 1.280 21 residues pruned to eliminate duplicates Z: 41 42.124 2.301 0.896 0.484 0.925 0.675 CB 1.678 41 residues pruned to eliminate duplicates Z: 10 17.478 2.028 0.503 0.899 1.000 0.667 CA 1.366 Z: 47 30.269 2.073 0.721 0.489 0.935 0.565 CB 1.353 47 residues pruned to eliminate duplicates Z: 23 46.826 2.365 0.779 0.938 1.000 0.909 CB 1.650 23 residues pruned to eliminate duplicates Z: 26 30.922 2.255 0.333 0.951 0.960 0.880 CB 1.477 26 residues pruned to eliminate duplicates Z: 7 14.306 2.130 0.584 0.879 0.833 0.667 CA 1.507 7 residues pruned to eliminate duplicates Z: 25 30.220 2.304 0.761 0.456 0.958 0.542 CA 1.659 25 residues pruned to eliminate duplicates Z: 23 30.252 2.321 0.722 0.491 0.955 0.682 CB 1.705 23 residues pruned to eliminate duplicates Z: 20 33.808 2.336 0.594 0.872 0.947 0.579 CB 1.603 20 residues pruned to eliminate duplicates Z: 24 45.808 2.226 0.955 0.943 0.957 0.739 CB 1.590 21 residues pruned to eliminate duplicates Z: 25 33.017 2.125 0.670 0.883 0.917 0.708 CB 1.498 25 residues pruned to eliminate duplicates Z: 17 32.615 2.361 0.343 0.928 1.000 0.812 CA 1.801 17 residues pruned to eliminate duplicates Z: 25 46.219 2.329 0.788 0.934 0.958 0.625 CB 1.649 25 residues pruned to eliminate duplicates Z: 14 24.299 2.205 0.855 0.618 1.000 0.846 CB 1.473 11 residues pruned to eliminate duplicates Z: 25 38.478 2.313 0.682 0.945 0.917 0.750 CB 1.524 25 residues pruned to eliminate duplicates Z: 45 31.935 2.206 0.593 0.586 0.886 0.636 CB 1.423 45 residues pruned to eliminate duplicates Z: 25 52.066 2.369 0.964 0.933 0.958 0.625 CB 1.663 25 residues pruned to eliminate duplicates Z: 10 31.542 2.402 1.383 0.794 0.889 0.556 CB 1.597 10 residues pruned to eliminate duplicates Z: 25 38.743 2.480 0.971 0.489 0.917 0.625 CB 1.785 25 residues pruned to eliminate duplicates Z: 86 32.312 2.045 0.466 0.453 0.894 0.565 CB 1.371 50 residues pruned to eliminate duplicates Z: 17 13.641 2.137 0.727 0.388 0.750 0.562 CB 1.387 11 residues pruned to eliminate duplicates Z: 19 32.341 2.197 0.471 0.911 1.000 0.778 CA 1.671 19 residues pruned to eliminate duplicates Z: 22 27.400 2.231 0.319 0.930 0.952 0.905 CB 1.492 22 residues pruned to eliminate duplicates Z: 70 42.140 2.249 0.731 0.512 0.870 0.536 CB 1.481 70 residues pruned to eliminate duplicates Z: 25 41.951 2.288 0.789 0.951 0.958 0.750 CB 1.505 25 residues pruned to eliminate duplicates Z: 17 31.252 2.376 0.348 0.934 0.938 0.938 CA 1.815 17 residues pruned to eliminate duplicates Z: 19 34.753 2.174 0.926 0.921 0.944 0.611 CB 1.458 19 residues pruned to eliminate duplicates Z: 25 46.138 2.365 0.762 0.956 1.000 1.000 CB 1.552 25 residues pruned to eliminate duplicates Z: 24 53.399 2.391 1.091 0.942 0.957 0.652 CB 1.615 24 residues pruned to eliminate duplicates Z: 20 33.370 2.307 0.581 0.884 0.947 0.684 CB 1.601 20 residues pruned to eliminate duplicates Z: 8 11.517 2.069 0.208 0.899 0.857 0.714 CB 1.452 8 residues pruned to eliminate duplicates Z: 31 29.830 2.413 0.703 0.436 0.867 0.500 CB 1.634 31 residues pruned to eliminate duplicates Z: 19 30.054 2.236 0.675 0.909 0.944 0.667 CB 1.422 19 residues pruned to eliminate duplicates Z: 15 24.498 2.194 0.899 0.593 0.929 0.714 CB 1.549 15 residues pruned to eliminate duplicates Z: 44 38.702 2.169 0.669 0.628 0.953 0.698 CB 1.516 35 residues pruned to eliminate duplicates Z: 27 29.924 2.228 0.777 0.478 0.923 0.692 CB 1.641 27 residues pruned to eliminate duplicates Z: 25 35.738 2.362 0.858 0.517 0.958 0.667 CB 1.706 47 residues pruned to eliminate duplicates Z: 16 32.248 2.226 1.079 0.863 0.867 0.600 CB 1.523 16 residues pruned to eliminate duplicates Z: 23 32.669 2.177 0.410 0.954 1.000 0.955 CB 1.560 23 residues pruned to eliminate duplicates Z: 18 23.770 2.369 0.593 0.431 1.000 0.647 CB 1.640 18 residues pruned to eliminate duplicates Z: 20 23.392 2.158 0.484 0.802 0.895 0.579 CB 1.439 20 residues pruned to eliminate duplicates Z: 56 24.798 2.032 0.524 0.446 0.909 0.418 CB 1.256 56 residues pruned to eliminate duplicates Z: 24 35.704 2.335 0.493 0.933 0.957 0.783 CB 1.558 24 residues pruned to eliminate duplicates Z: 34 20.881 1.969 0.621 0.436 0.818 0.576 CB 1.488 15 residues pruned to eliminate duplicates Z: 33 44.823 2.319 0.743 0.737 1.000 0.781 CB 1.585 33 residues pruned to eliminate duplicates Z: 24 42.526 2.302 0.770 0.954 1.000 0.870 CB 1.496 24 residues pruned to eliminate duplicates Z: 17 27.234 2.392 0.896 0.494 0.938 0.688 CB 1.612 17 residues pruned to eliminate duplicates Z: 32 15.783 1.820 0.515 0.394 0.903 0.484 CB 1.274 32 residues pruned to eliminate duplicates Z: 26 35.352 2.314 0.830 0.537 0.960 0.640 CB 1.676 26 residues pruned to eliminate duplicates Z: 21 20.135 2.084 0.231 0.819 0.900 0.750 CB 1.479 21 residues pruned to eliminate duplicates Z: 23 29.644 2.277 0.767 0.470 0.955 0.636 CB 1.696 23 residues pruned to eliminate duplicates Z: 25 37.637 2.340 1.029 0.515 0.958 0.750 CB 1.664 25 residues pruned to eliminate duplicates Z: 20 16.070 2.073 0.660 0.294 0.842 0.421 CB 1.602 20 residues pruned to eliminate duplicates Z: 61 49.192 2.257 0.640 0.593 0.983 0.717 CB 1.597 64 residues pruned to eliminate duplicates Z: 23 28.497 2.181 0.357 0.931 0.955 0.773 CB 1.502 23 residues pruned to eliminate duplicates Z: 23 52.897 2.382 1.037 0.950 1.000 0.591 CB 1.602 23 residues pruned to eliminate duplicates Z: 45 28.707 2.083 0.640 0.528 0.886 0.477 CB 1.390 45 residues pruned to eliminate duplicates Z: 29 29.375 2.219 0.690 0.472 0.964 0.500 CB 1.578 29 residues pruned to eliminate duplicates Z: 46 20.738 1.882 0.606 0.384 0.889 0.378 CB 1.302 45 residues pruned to eliminate duplicates Z: 15 36.628 2.447 0.665 0.922 1.000 0.714 CB 1.690 15 residues pruned to eliminate duplicates Z: 25 36.986 2.310 0.476 0.944 1.000 0.833 CB 1.534 25 residues pruned to eliminate duplicates Z: 8 18.499 2.085 0.773 0.897 1.000 0.857 CB 1.353 8 residues pruned to eliminate duplicates Z: 8 15.157 1.944 0.575 0.877 0.857 0.857 CB 1.585 8 residues pruned to eliminate duplicates Z: 24 27.191 2.219 0.921 0.390 0.870 0.609 CB 1.718 24 residues pruned to eliminate duplicates Z: 25 41.645 2.299 0.679 0.965 1.000 0.625 CB 1.502 25 residues pruned to eliminate duplicates Z: 11 28.309 2.311 0.786 0.913 0.900 0.700 CB 1.706 11 residues pruned to eliminate duplicates Z: 51 29.867 2.111 0.665 0.487 0.900 0.460 CB 1.354 51 residues pruned to eliminate duplicates Z: 25 37.609 2.129 0.826 0.944 0.958 0.583 CB 1.427 25 residues pruned to eliminate duplicates Z: 10 17.381 1.972 0.637 0.904 1.000 0.778 CB 1.278 10 residues pruned to eliminate duplicates Z: 10 19.559 1.998 0.726 0.901 1.000 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 26 46.243 2.244 0.998 0.940 0.920 0.640 CB 1.557 26 residues pruned to eliminate duplicates Z: 25 46.854 2.168 1.078 0.948 1.000 0.417 CB 1.466 25 residues pruned to eliminate duplicates Z: 20 29.206 2.303 0.399 0.867 0.947 0.737 CB 1.606 20 residues pruned to eliminate duplicates Z: 16 28.068 2.377 0.289 0.905 1.000 0.867 CB 1.684 16 residues pruned to eliminate duplicates Z: 25 41.482 2.270 0.885 0.948 0.958 0.792 CB 1.426 25 residues pruned to eliminate duplicates Z: 8 9.223 1.825 0.486 0.654 0.857 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 20 26.417 2.162 0.382 0.841 0.947 0.789 CA 1.596 20 residues pruned to eliminate duplicates Z: 24 44.529 2.198 1.071 0.930 0.957 0.652 CB 1.490 24 residues pruned to eliminate duplicates Z: 39 22.507 1.961 0.569 0.434 0.947 0.395 CB 1.341 39 residues pruned to eliminate duplicates Z: 23 56.053 2.376 1.131 0.930 1.000 0.455 CB 1.650 29 residues pruned to eliminate duplicates Z: 16 33.454 2.435 0.464 0.910 1.000 0.933 CB 1.719 16 residues pruned to eliminate duplicates Z: 23 33.297 2.224 0.553 0.935 0.955 0.818 CB 1.500 23 residues pruned to eliminate duplicates Z: 19 24.395 2.176 0.424 0.892 0.944 0.778 CB 1.411 19 residues pruned to eliminate duplicates Z: 20 26.655 2.158 0.519 0.832 0.947 0.579 CB 1.478 20 residues pruned to eliminate duplicates Z: 10 19.031 1.937 0.703 0.897 1.000 0.889 CB 1.376 13 residues pruned to eliminate duplicates Z: 100 53.873 2.213 0.687 0.552 0.949 0.636 CB 1.452 100 residues pruned to eliminate duplicates Z: 6 8.276 1.922 0.282 0.801 1.000 0.400 CA 1.154 6 residues pruned to eliminate duplicates Z: 16 40.019 2.421 1.118 0.912 0.933 0.600 CB 1.529 16 residues pruned to eliminate duplicates Z: 83 37.206 2.037 0.561 0.539 0.902 0.524 CB 1.377 67 residues pruned to eliminate duplicates Z: 17 31.485 2.409 0.436 0.929 0.938 0.750 CB 1.698 17 residues pruned to eliminate duplicates Z: 42 36.651 2.106 0.630 0.634 0.976 0.634 CB 1.506 40 residues pruned to eliminate duplicates Z: 17 25.994 2.202 0.356 0.919 1.000 0.875 CA 1.534 17 residues pruned to eliminate duplicates Z: 18 32.316 2.288 0.577 0.895 0.941 0.824 CB 1.654 18 residues pruned to eliminate duplicates Z: 24 51.885 2.401 0.982 0.955 0.957 0.522 CB 1.633 24 residues pruned to eliminate duplicates Z: 15 48.504 2.435 1.313 0.954 1.000 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 19 38.615 2.239 0.738 0.882 1.000 0.667 CB 1.692 19 residues pruned to eliminate duplicates Z: 20 29.627 2.307 0.478 0.847 0.947 0.579 CB 1.562 20 residues pruned to eliminate duplicates Z: 10 17.548 1.968 0.573 0.905 1.000 0.667 CB 1.345 10 residues pruned to eliminate duplicates Z: 9 18.577 2.077 0.736 0.893 1.000 0.875 CB 1.307 9 residues pruned to eliminate duplicates Z: 17 33.963 2.387 0.389 0.911 1.000 0.812 CB 1.816 17 residues pruned to eliminate duplicates Z: 9 22.729 2.297 0.700 0.634 1.000 0.750 CA 1.815 9 residues pruned to eliminate duplicates Z: 22 34.221 2.296 0.590 0.906 0.952 0.667 CB 1.528 22 residues pruned to eliminate duplicates Z: 33 20.913 1.983 0.534 0.467 0.969 0.500 CB 1.298 33 residues pruned to eliminate duplicates Z: 10 20.106 1.994 0.754 0.891 1.000 0.889 CB 1.378 10 residues pruned to eliminate duplicates Z: 7 3.084 1.697 0.269 0.568 0.667 0.500 CB 0.821 7 residues pruned to eliminate duplicates Z: 16 30.438 2.392 0.343 0.895 1.000 0.800 CA 1.754 16 residues pruned to eliminate duplicates Z: 52 30.595 2.068 0.641 0.539 0.922 0.569 CB 1.317 52 residues pruned to eliminate duplicates Z: 50 27.500 1.993 0.663 0.523 0.898 0.551 CB 1.290 46 residues pruned to eliminate duplicates Z: 10 18.939 1.968 0.870 0.914 0.889 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 62 45.207 2.256 0.756 0.570 0.918 0.541 CB 1.487 62 residues pruned to eliminate duplicates Z: 63 48.312 2.234 0.641 0.588 0.968 0.726 CB 1.590 63 residues pruned to eliminate duplicates Z: 36 25.247 1.943 0.703 0.548 0.943 0.543 CB 1.306 36 residues pruned to eliminate duplicates Z: 46 27.788 2.086 0.594 0.516 0.889 0.511 CB 1.379 46 residues pruned to eliminate duplicates Z: 25 41.028 2.310 0.884 0.919 0.917 0.583 CB 1.480 25 residues pruned to eliminate duplicates Z: 25 38.192 2.155 0.805 0.934 0.958 0.833 CB 1.459 25 residues pruned to eliminate duplicates Z: 17 27.863 2.417 0.943 0.472 0.938 0.812 CB 1.627 17 residues pruned to eliminate duplicates Z: 25 46.433 2.375 0.910 0.951 0.917 0.750 CB 1.571 25 residues pruned to eliminate duplicates Z: 18 26.431 2.079 0.563 0.830 0.941 0.706 CA 1.577 18 residues pruned to eliminate duplicates Z: 14 14.959 2.224 0.000 0.929 1.000 1.000 CB 1.306 14 residues pruned to eliminate duplicates Z: 17 18.633 2.069 0.637 0.517 0.938 0.562 CB 1.443 17 residues pruned to eliminate duplicates Z: 23 42.447 2.253 0.905 0.950 0.955 0.545 CB 1.524 23 residues pruned to eliminate duplicates Z: 25 57.201 2.349 1.192 0.927 0.958 0.417 CB 1.658 25 residues pruned to eliminate duplicates Z: 44 20.340 1.918 0.562 0.399 0.907 0.349 CB 1.270 44 residues pruned to eliminate duplicates Z: 119 54.863 2.109 0.797 0.575 0.881 0.542 CB 1.407 211 residues pruned to eliminate duplicates Z: 36 28.612 2.153 0.656 0.594 0.857 0.457 CB 1.446 36 residues pruned to eliminate duplicates Z: 33 26.048 1.928 0.769 0.583 0.938 0.531 CB 1.329 33 residues pruned to eliminate duplicates Z: 10 17.081 1.932 0.661 0.896 1.000 0.778 CB 1.271 Z: 26 35.062 2.220 0.748 0.934 0.920 0.600 CB 1.369 Z: 64 50.138 2.320 0.632 0.580 0.968 0.635 CB 1.595 64 residues pruned to eliminate duplicates Z: 11 21.004 2.393 0.477 0.556 1.000 1.000 CA 1.781 11 residues pruned to eliminate duplicates Z: 18 38.724 2.362 0.628 0.900 1.000 0.765 CB 1.745 18 residues pruned to eliminate duplicates Z: 59 35.110 2.110 0.500 0.601 0.897 0.655 CB 1.476 59 residues pruned to eliminate duplicates Z: 25 44.977 2.157 0.889 0.921 1.000 0.708 CB 1.586 25 residues pruned to eliminate duplicates Z: 25 39.012 2.339 0.879 0.542 0.958 0.792 CB 1.815 25 residues pruned to eliminate duplicates Z: 60 36.422 2.119 0.639 0.579 0.881 0.678 CB 1.435 60 residues pruned to eliminate duplicates Z: 19 28.726 2.302 0.981 0.487 0.889 0.722 CA 1.692 19 residues pruned to eliminate duplicates Z: 27 27.989 2.348 0.617 0.456 0.885 0.538 CB 1.709 27 residues pruned to eliminate duplicates Z: 39 33.856 2.060 0.608 0.686 0.921 0.711 CB 1.518 37 residues pruned to eliminate duplicates Z: 63 31.754 2.076 0.734 0.477 0.855 0.581 CB 1.342 15 residues pruned to eliminate duplicates Z: 18 33.396 2.310 0.597 0.907 1.000 0.882 CB 1.561 18 residues pruned to eliminate duplicates Z: 7 14.235 1.870 0.808 0.870 0.833 0.667 CB 1.506 7 residues pruned to eliminate duplicates Z: 92 45.506 2.169 0.646 0.538 0.901 0.582 CB 1.429 89 residues pruned to eliminate duplicates Z: 42 25.081 1.931 0.650 0.493 0.927 0.537 CB 1.335 42 residues pruned to eliminate duplicates Z: 16 32.668 2.257 0.601 0.918 1.000 0.800 CA 1.646 16 residues pruned to eliminate duplicates Z: 50 24.810 2.032 0.641 0.452 0.857 0.490 CB 1.303 50 residues pruned to eliminate duplicates Z: 60 50.721 2.318 0.786 0.586 0.949 0.661 CB 1.548 60 residues pruned to eliminate duplicates Z: 80 38.412 2.082 0.523 0.546 0.924 0.620 CB 1.410 80 residues pruned to eliminate duplicates Z: 24 58.201 2.398 1.394 0.954 0.913 0.478 CB 1.592 24 residues pruned to eliminate duplicates Z: 20 24.383 2.170 0.283 0.867 0.947 0.737 CA 1.551 20 residues pruned to eliminate duplicates Z: 24 46.176 2.166 1.058 0.945 1.000 0.522 CB 1.495 24 residues pruned to eliminate duplicates Z: 10 15.277 1.864 0.701 0.833 0.889 0.333 CA 1.355 10 residues pruned to eliminate duplicates Z: 25 29.200 2.276 0.578 0.496 0.958 0.667 CB 1.739 25 residues pruned to eliminate duplicates Z: 25 42.904 2.163 0.969 0.946 0.958 0.792 CB 1.484 25 residues pruned to eliminate duplicates Z: 43 43.277 2.220 0.771 0.646 0.952 0.714 CB 1.556 43 residues pruned to eliminate duplicates Z: 20 27.193 2.117 0.606 0.816 0.947 0.579 CB 1.472 20 residues pruned to eliminate duplicates Z: 57 45.269 2.205 0.714 0.578 0.929 0.696 CB 1.600 57 residues pruned to eliminate duplicates Z: 15 17.414 2.146 0.883 0.562 0.786 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 10 22.227 1.967 1.084 0.880 1.000 0.778 CB 1.309 10 residues pruned to eliminate duplicates Z: 19 34.087 2.287 0.572 0.852 1.000 0.722 CB 1.653 19 residues pruned to eliminate duplicates Z: 19 26.912 2.292 0.261 0.927 1.000 0.722 CB 1.538 19 residues pruned to eliminate duplicates Z: 23 44.908 2.317 0.852 0.956 1.000 0.455 CB 1.533 23 residues pruned to eliminate duplicates Z: 191 68.256 2.239 0.648 0.548 0.884 0.611 CB 1.449 138 residues pruned to eliminate duplicates Z: 37 23.906 2.030 0.674 0.536 0.917 0.611 CB 1.234 37 residues pruned to eliminate duplicates Z: 27 22.938 2.047 0.622 0.589 0.962 0.500 CB 1.294 27 residues pruned to eliminate duplicates Z: 46 28.402 2.080 0.570 0.497 0.933 0.467 CB 1.393 46 residues pruned to eliminate duplicates Z: 8 9.997 1.908 0.564 0.815 0.714 0.571 CB 1.348 8 residues pruned to eliminate duplicates Z: 16 12.528 1.794 0.381 0.571 1.000 0.533 CB 1.218 Z: 19 23.708 2.242 0.319 0.872 0.889 0.722 CB 1.549 19 residues pruned to eliminate duplicates Z: 21 31.771 2.208 0.680 0.928 0.900 0.750 CB 1.490 21 residues pruned to eliminate duplicates Z: 24 39.346 2.145 0.780 0.913 1.000 0.826 CB 1.521 24 residues pruned to eliminate duplicates Z: 39 27.987 2.160 0.540 0.450 0.947 0.500 CB 1.516 55 residues pruned to eliminate duplicates Z: 34 29.654 2.128 0.473 0.651 0.970 0.667 CB 1.475 34 residues pruned to eliminate duplicates Z: 24 50.905 2.395 1.066 0.950 0.957 0.478 CB 1.548 38 residues pruned to eliminate duplicates Z: 9 17.586 2.060 0.831 0.620 1.000 0.750 CA 1.471 Z: 14 22.135 2.379 0.154 0.944 1.000 1.000 CB 1.548 14 residues pruned to eliminate duplicates Z: 17 31.727 2.321 0.382 0.919 1.000 0.812 CA 1.742 17 residues pruned to eliminate duplicates Z: 23 41.789 2.256 0.847 0.953 0.955 0.864 CB 1.541 23 residues pruned to eliminate duplicates Z: 25 39.798 2.131 0.872 0.936 0.958 0.458 CB 1.480 25 residues pruned to eliminate duplicates Z: 49 26.760 2.049 0.619 0.501 0.917 0.500 CB 1.269 49 residues pruned to eliminate duplicates Z: 38 27.156 2.037 0.548 0.581 0.865 0.649 CB 1.515 38 residues pruned to eliminate duplicates Z: 16 10.675 1.974 0.428 0.360 0.800 0.400 CB 1.422 16 residues pruned to eliminate duplicates Z: 27 24.894 2.081 0.564 0.630 0.923 0.500 CB 1.438 27 residues pruned to eliminate duplicates Z: 12 12.522 1.970 0.585 0.577 0.909 0.818 CB 1.235 12 residues pruned to eliminate duplicates Z: 20 23.488 2.144 0.516 0.840 0.842 0.632 CB 1.470 20 residues pruned to eliminate duplicates Z: 8 4.903 2.024 0.547 0.378 0.571 0.143 CB 1.179 Z: 24 57.554 2.396 1.368 0.962 0.957 0.478 CB 1.513 24 residues pruned to eliminate duplicates Z: 6 6.008 1.343 0.884 0.771 1.000 0.600 N 0.836 6 residues pruned to eliminate duplicates Z: 19 36.693 2.353 0.694 0.907 0.944 0.833 CB 1.632 19 residues pruned to eliminate duplicates Z: 24 34.669 2.179 0.538 0.936 1.000 0.870 CB 1.502 24 residues pruned to eliminate duplicates Z: 19 33.054 2.302 0.688 0.892 0.944 0.500 CB 1.524 19 residues pruned to eliminate duplicates Z: 9 11.670 2.036 0.280 0.826 0.875 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 22 52.285 2.371 1.211 0.959 0.952 0.667 CB 1.566 22 residues pruned to eliminate duplicates Z: 29 20.170 1.960 0.617 0.499 0.964 0.607 CB 1.248 29 residues pruned to eliminate duplicates Z: 20 31.998 2.309 0.426 0.865 1.000 0.579 CB 1.633 20 residues pruned to eliminate duplicates Z: 74 44.123 2.156 0.769 0.566 0.890 0.644 CB 1.427 74 residues pruned to eliminate duplicates Z: 53 45.703 2.300 0.811 0.641 0.904 0.712 CB 1.476 34 residues pruned to eliminate duplicates Z: 62 49.285 2.267 0.751 0.561 0.918 0.656 CB 1.631 31 residues pruned to eliminate duplicates Z: 11 16.387 2.023 0.631 0.632 0.900 0.600 CB 1.541 11 residues pruned to eliminate duplicates Z: 122 63.939 2.224 0.722 0.598 0.934 0.612 CB 1.479 122 residues pruned to eliminate duplicates Z: 24 39.564 2.173 0.857 0.959 1.000 0.739 CB 1.401 24 residues pruned to eliminate duplicates Z: 39 18.909 1.922 0.465 0.446 0.895 0.526 CB 1.287 39 residues pruned to eliminate duplicates Z: 7 7.591 1.762 0.417 0.687 0.833 0.500 CA 1.255 7 residues pruned to eliminate duplicates Z: 53 32.392 2.176 0.653 0.575 0.827 0.673 CB 1.404 53 residues pruned to eliminate duplicates Z: 48 34.331 2.154 0.688 0.478 0.957 0.468 CB 1.471 48 residues pruned to eliminate duplicates Z: 109 62.232 2.283 0.879 0.546 0.880 0.519 CB 1.518 109 residues pruned to eliminate duplicates Z: 6 11.244 1.966 0.306 0.841 1.000 0.400 CB 1.461 6 residues pruned to eliminate duplicates Z: 10 17.147 1.922 0.553 0.879 1.000 0.667 CB 1.389 10 residues pruned to eliminate duplicates 6 1.794 1.400 -0.040 0.477 0.600 0.400 N 1.018 ? Z: 9 14.013 2.069 0.877 0.673 0.875 0.625 CB 1.243 9 residues pruned to eliminate duplicates Z: 79 36.701 2.087 0.517 0.552 0.885 0.615 CB 1.409 79 residues pruned to eliminate duplicates Z: 52 30.359 2.089 0.646 0.498 0.922 0.471 CB 1.344 52 residues pruned to eliminate duplicates Z: 75 45.944 2.214 0.730 0.554 0.919 0.554 CB 1.440 75 residues pruned to eliminate duplicates Z: 10 13.499 1.882 0.347 0.888 1.000 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 23 43.375 2.238 0.956 0.938 0.955 0.636 CB 1.538 23 residues pruned to eliminate duplicates Z: 87 57.244 2.286 0.841 0.603 0.907 0.570 CB 1.467 87 residues pruned to eliminate duplicates Z: 6 7.267 2.132 0.527 0.489 0.800 0.800 CB 1.261 7 residues pruned to eliminate duplicates Z: 13 21.111 2.175 0.888 0.585 0.917 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 49 32.260 1.989 0.711 0.543 0.938 0.562 CB 1.400 49 residues pruned to eliminate duplicates Z: 22 39.759 2.254 0.778 0.954 1.000 0.810 CB 1.488 35 residues pruned to eliminate duplicates Z: 14 35.378 2.387 0.576 0.908 1.000 0.923 CA 1.852 14 residues pruned to eliminate duplicates Z: 12 27.241 2.069 1.015 0.904 0.909 0.545 CB 1.544 12 residues pruned to eliminate duplicates Z: 127 57.770 2.152 0.765 0.567 0.889 0.516 CB 1.428 127 residues pruned to eliminate duplicates Z: 7 3.611 1.666 1.164 0.239 0.667 0.500 CB 0.830 7 residues pruned to eliminate duplicates Z: 10 3.958 1.604 0.366 0.317 0.778 0.444 CB 0.948 Z: 13 9.955 1.822 0.234 0.504 0.917 0.583 N 1.389 Z: 40 34.990 2.192 0.482 0.696 0.923 0.641 CB 1.563 40 residues pruned to eliminate duplicates Z: 10 11.524 2.011 0.456 0.539 0.889 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 53 31.735 1.967 0.810 0.494 0.942 0.635 CB 1.320 53 residues pruned to eliminate duplicates Z: 20 28.404 2.291 0.480 0.845 0.895 0.737 CB 1.597 20 residues pruned to eliminate duplicates Z: 44 43.763 2.314 0.784 0.655 0.907 0.698 CB 1.543 44 residues pruned to eliminate duplicates Z: 16 26.007 1.994 0.661 0.897 1.000 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 24 23.402 2.105 0.718 0.461 0.957 0.609 CB 1.469 24 residues pruned to eliminate duplicates Z: 36 27.677 2.090 0.670 0.548 0.886 0.486 CB 1.444 36 residues pruned to eliminate duplicates Z: 23 36.010 2.310 0.422 0.944 1.000 1.000 CB 1.618 23 residues pruned to eliminate duplicates Z: 25 39.854 2.337 0.821 0.551 1.000 0.667 CB 1.818 25 residues pruned to eliminate duplicates Z: 25 55.160 2.365 1.131 0.941 1.000 0.542 CB 1.551 25 residues pruned to eliminate duplicates Z: 38 38.839 2.156 0.824 0.523 1.000 0.541 CB 1.586 38 residues pruned to eliminate duplicates Z: 80 32.355 2.041 0.538 0.444 0.899 0.506 CB 1.367 80 residues pruned to eliminate duplicates Z: 61 50.323 2.316 0.700 0.554 0.967 0.650 CB 1.620 42 residues pruned to eliminate duplicates Z: 41 45.503 2.242 1.132 0.636 0.925 0.500 CB 1.433 41 residues pruned to eliminate duplicates Z: 7 7.120 1.849 0.530 0.433 1.000 0.667 CA 1.101 7 residues pruned to eliminate duplicates Z: 10 8.212 1.891 0.810 0.440 0.667 0.667 CB 1.275 Z: 37 23.737 2.034 0.587 0.455 0.917 0.500 CB 1.401 37 residues pruned to eliminate duplicates Z: 10 12.377 2.104 0.978 0.373 0.889 0.556 CB 1.278 10 residues pruned to eliminate duplicates Z: 21 28.337 2.124 0.625 0.831 0.900 0.750 CB 1.532 21 residues pruned to eliminate duplicates Z: 28 14.322 2.026 0.557 0.371 0.778 0.481 CB 1.290 28 residues pruned to eliminate duplicates Z: 36 34.099 2.094 0.472 0.732 0.971 0.829 CB 1.562 25 residues pruned to eliminate duplicates Z: 9 11.052 1.923 0.289 0.723 1.000 0.750 CB 1.288 9 residues pruned to eliminate duplicates Z: 29 17.248 1.878 0.524 0.458 0.929 0.464 CB 1.279 29 residues pruned to eliminate duplicates Z: 24 11.987 1.831 0.459 0.444 0.826 0.522 CB 1.200 24 residues pruned to eliminate duplicates Z: 48 24.194 2.075 0.479 0.460 0.894 0.468 CB 1.342 48 residues pruned to eliminate duplicates Z: 10 9.885 1.709 0.385 0.675 1.000 0.667 CB 1.186 10 residues pruned to eliminate duplicates Z: 25 50.778 2.154 1.166 0.939 1.000 0.458 CB 1.544 34 residues pruned to eliminate duplicates Z: 56 40.700 2.186 0.932 0.545 0.891 0.455 CB 1.396 56 residues pruned to eliminate duplicates Z: 7 2.960 1.633 -0.057 0.404 0.667 0.500 CB 1.302 Z: 29 15.280 1.843 0.514 0.456 0.857 0.536 CB 1.263 29 residues pruned to eliminate duplicates Z: 46 29.607 2.093 0.665 0.520 0.911 0.489 CB 1.363 46 residues pruned to eliminate duplicates Z: 99 48.723 2.196 0.660 0.553 0.888 0.643 CB 1.444 99 residues pruned to eliminate duplicates Z: 11 5.771 1.910 -0.099 0.539 0.800 0.600 CB 1.277 11 residues pruned to eliminate duplicates Z: 13 13.835 1.869 0.397 0.705 1.000 0.833 CB 1.269 13 residues pruned to eliminate duplicates Z: 51 29.138 2.089 0.565 0.481 0.920 0.540 CB 1.398 51 residues pruned to eliminate duplicates Z: 39 31.021 2.124 0.546 0.662 0.947 0.684 CB 1.392 39 residues pruned to eliminate duplicates Z: 43 24.742 2.048 0.607 0.479 0.833 0.548 CB 1.423 43 residues pruned to eliminate duplicates Z: 29 21.130 2.066 0.512 0.555 0.929 0.536 CB 1.306 29 residues pruned to eliminate duplicates Z: 32 31.058 2.277 0.727 0.591 0.903 0.677 CB 1.440 32 residues pruned to eliminate duplicates Z: 8 4.249 1.773 0.206 0.286 0.857 0.571 CB 1.114 8 residues pruned to eliminate duplicates Z: 53 36.876 2.123 0.698 0.609 0.923 0.596 CB 1.387 53 residues pruned to eliminate duplicates Z: 39 20.472 1.998 0.479 0.433 0.895 0.526 CB 1.346 39 residues pruned to eliminate duplicates Z: 10 16.970 2.001 1.000 0.662 0.778 0.778 CA 1.564 9 residues pruned to eliminate duplicates Z: 19 29.179 2.209 0.543 0.884 0.944 0.667 CB 1.543 19 residues pruned to eliminate duplicates Z: 48 28.459 2.076 0.527 0.478 0.894 0.532 CB 1.499 48 residues pruned to eliminate duplicates Z: 18 36.508 2.287 0.868 0.946 0.941 0.471 CB 1.523 18 residues pruned to eliminate duplicates Z: 52 28.437 2.073 0.564 0.499 0.922 0.569 CB 1.334 52 residues pruned to eliminate duplicates Z: 44 22.569 1.983 0.530 0.455 0.837 0.442 CB 1.419 44 residues pruned to eliminate duplicates Z: 25 31.366 2.366 0.720 0.462 0.958 0.583 CB 1.708 15 residues pruned to eliminate duplicates Z: 27 51.253 2.196 1.299 0.915 0.962 0.423 CB 1.463 27 residues pruned to eliminate duplicates Z: 23 19.587 1.994 0.548 0.645 0.955 0.500 CB 1.237 23 residues pruned to eliminate duplicates Z: 58 28.976 1.954 0.755 0.446 0.860 0.509 CB 1.376 96 residues pruned to eliminate duplicates Z: 24 47.062 2.220 1.101 0.945 0.957 0.522 CB 1.522 24 residues pruned to eliminate duplicates Z: 25 27.594 2.231 0.866 0.491 0.875 0.667 CB 1.561 23 residues pruned to eliminate duplicates Z: 33 28.845 2.163 0.530 0.464 1.000 0.594 CB 1.598 33 residues pruned to eliminate duplicates Z: 10 15.718 1.925 0.566 0.913 1.000 0.889 CB 1.229 10 residues pruned to eliminate duplicates Z: 51 35.716 2.209 0.488 0.596 0.960 0.660 CB 1.460 51 residues pruned to eliminate duplicates Z: 41 21.762 1.956 0.563 0.454 0.925 0.425 CB 1.275 41 residues pruned to eliminate duplicates Z: 15 11.439 2.089 0.468 0.303 0.857 0.500 CB 1.448 15 residues pruned to eliminate duplicates Z: 11 8.666 1.855 0.652 0.403 0.800 0.400 CB 1.237 11 residues pruned to eliminate duplicates Z: 78 39.117 2.085 0.590 0.517 0.922 0.545 CB 1.434 78 residues pruned to eliminate duplicates Z: 51 26.483 2.107 0.465 0.479 0.900 0.580 CB 1.377 51 residues pruned to eliminate duplicates Z: 35 29.096 2.125 0.595 0.500 0.912 0.647 CB 1.615 35 residues pruned to eliminate duplicates Z: 26 51.437 2.260 1.263 0.927 0.960 0.440 CB 1.469 26 residues pruned to eliminate duplicates Z: 19 32.308 2.225 0.496 0.870 1.000 0.778 CB 1.670 19 residues pruned to eliminate duplicates Z: 40 27.773 2.133 0.563 0.594 0.923 0.667 CB 1.321 40 residues pruned to eliminate duplicates Z: 11 10.566 2.013 0.221 0.547 0.900 0.600 CB 1.442 11 residues pruned to eliminate duplicates Z: 12 22.142 1.895 0.956 0.917 0.909 0.545 CA 1.399 12 residues pruned to eliminate duplicates Z: 18 19.932 2.373 0.630 0.449 0.882 0.647 CB 1.493 18 residues pruned to eliminate duplicates Z: 21 20.034 2.051 0.789 0.455 0.900 0.700 CB 1.421 21 residues pruned to eliminate duplicates Z: 24 28.394 2.191 0.211 0.918 0.957 0.957 CB 1.646 24 residues pruned to eliminate duplicates Z: 32 28.375 2.174 0.685 0.595 0.871 0.677 CB 1.459 32 residues pruned to eliminate duplicates Z: 22 17.718 2.041 0.698 0.400 0.857 0.476 CB 1.446 22 residues pruned to eliminate duplicates Z: 23 27.826 2.177 0.281 0.940 1.000 0.955 CB 1.476 23 residues pruned to eliminate duplicates Z: 24 44.613 2.173 1.081 0.962 0.957 0.435 CB 1.471 24 residues pruned to eliminate duplicates Z: 12 9.840 2.027 -0.040 0.824 0.818 0.545 CA 1.407 12 residues pruned to eliminate duplicates Z: 8 14.033 2.090 0.289 0.864 1.000 0.857 CB 1.443 8 residues pruned to eliminate duplicates Z: 16 34.998 2.328 0.800 0.896 1.000 0.867 CA 1.545 16 residues pruned to eliminate duplicates Z: 10 11.134 1.855 0.239 0.877 1.000 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 17 34.542 2.344 0.712 0.923 0.938 0.688 CB 1.613 17 residues pruned to eliminate duplicates Z: 15 17.820 2.008 0.760 0.522 0.929 0.571 CB 1.420 15 residues pruned to eliminate duplicates Z: 40 19.437 1.948 0.533 0.432 0.872 0.462 CB 1.283 40 residues pruned to eliminate duplicates Z: 20 28.310 2.147 0.640 0.839 0.947 0.579 CB 1.453 20 residues pruned to eliminate duplicates Z: 53 24.646 1.957 0.613 0.463 0.865 0.500 CB 1.299 53 residues pruned to eliminate duplicates Z: 15 34.058 2.309 1.032 0.944 0.929 0.571 CB 1.447 15 residues pruned to eliminate duplicates Z: 41 46.090 2.284 1.157 0.642 0.900 0.450 CB 1.439 41 residues pruned to eliminate duplicates Z: 27 16.871 1.846 0.561 0.513 0.885 0.423 CB 1.281 27 residues pruned to eliminate duplicates Z: 42 25.772 2.090 0.579 0.516 0.902 0.512 CB 1.331 42 residues pruned to eliminate duplicates Z: 18 14.493 1.982 0.360 0.508 0.941 0.471 CB 1.374 18 residues pruned to eliminate duplicates Z: 6 7.369 1.757 0.334 0.593 1.000 0.800 CB 1.286 Z: 41 27.494 2.114 0.417 0.605 0.925 0.600 CB 1.419 41 residues pruned to eliminate duplicates Z: 33 16.597 1.911 0.465 0.419 0.906 0.344 CB 1.259 33 residues pruned to eliminate duplicates Z: 9 15.946 1.938 0.548 0.902 1.000 1.000 CB 1.340 9 residues pruned to eliminate duplicates Z: 20 12.652 1.973 0.781 0.436 0.789 0.526 CB 1.118 20 residues pruned to eliminate duplicates Z: 48 43.598 2.282 0.942 0.607 0.894 0.489 CB 1.451 48 residues pruned to eliminate duplicates Z: 9 20.050 1.987 0.827 0.910 1.000 0.875 CA 1.385 9 residues pruned to eliminate duplicates Z: 49 39.738 2.197 0.908 0.615 0.854 0.458 CB 1.437 49 residues pruned to eliminate duplicates Z: 14 11.730 1.835 0.566 0.527 0.923 0.769 CB 1.193 14 residues pruned to eliminate duplicates Z: 10 16.887 1.856 0.687 0.883 1.000 0.778 CB 1.300 10 residues pruned to eliminate duplicates Z: 9 5.747 1.720 0.284 0.399 0.875 0.375 CB 1.169 9 residues pruned to eliminate duplicates Z: 23 26.579 2.152 0.440 0.930 0.909 0.864 CB 1.406 23 residues pruned to eliminate duplicates Z: 39 33.871 2.162 0.535 0.660 0.947 0.789 CB 1.506 39 residues pruned to eliminate duplicates Z: 24 40.622 2.156 0.938 0.912 0.957 0.565 CB 1.501 24 residues pruned to eliminate duplicates Z: 10 14.463 2.010 0.922 0.524 0.889 0.667 CB 1.371 10 residues pruned to eliminate duplicates Z: 6 4.393 1.611 0.409 0.476 0.800 0.600 CB 1.108 Z: 10 18.010 1.942 0.659 0.882 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 62 47.958 2.275 0.951 0.602 0.869 0.475 CB 1.445 62 residues pruned to eliminate duplicates Z: 24 32.731 2.327 0.751 0.510 0.957 0.696 CB 1.733 24 residues pruned to eliminate duplicates Z: 35 19.561 2.033 0.749 0.407 0.882 0.471 CB 1.179 35 residues pruned to eliminate duplicates Z: 29 19.136 1.893 0.643 0.444 0.929 0.571 CB 1.326 Z: 6 6.823 1.891 0.531 0.782 0.800 0.400 CA 1.028 6 residues pruned to eliminate duplicates Z: 40 42.575 2.298 0.982 0.652 0.872 0.385 CB 1.490 40 residues pruned to eliminate duplicates Z: 12 16.221 2.144 0.937 0.544 0.909 0.727 CB 1.241 12 residues pruned to eliminate duplicates Z: 10 10.012 1.610 0.495 0.676 1.000 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 40 20.937 1.979 0.451 0.479 0.949 0.590 CB 1.257 40 residues pruned to eliminate duplicates Z: 24 38.636 2.276 0.907 0.919 0.826 0.478 CB 1.583 24 residues pruned to eliminate duplicates Z: 37 32.294 2.064 0.648 0.663 0.972 0.611 CB 1.399 37 residues pruned to eliminate duplicates Z: 9 4.409 1.754 -0.165 0.734 0.875 0.750 CB 0.986 Z: 22 21.620 1.986 0.637 0.718 1.000 0.714 CB 1.191 22 residues pruned to eliminate duplicates Z: 12 16.882 2.171 0.216 0.836 1.000 0.455 CB 1.443 12 residues pruned to eliminate duplicates Z: 19 12.962 1.792 0.502 0.749 0.722 0.500 CB 1.258 19 residues pruned to eliminate duplicates Z: 16 15.408 2.184 0.539 0.496 0.867 0.667 CB 1.371 16 residues pruned to eliminate duplicates Z: 24 20.185 2.043 0.794 0.442 0.870 0.609 CB 1.401 24 residues pruned to eliminate duplicates Z: 10 19.669 2.361 0.765 0.614 1.000 0.889 CB 1.412 10 residues pruned to eliminate duplicates Z: 12 9.936 1.913 0.663 0.314 0.818 0.545 CB 1.414 12 residues pruned to eliminate duplicates Z: 15 12.380 2.050 0.303 0.527 0.857 0.500 CB 1.407 15 residues pruned to eliminate duplicates Z: 9 3.699 1.773 -0.027 0.389 0.750 0.500 CB 1.136 9 1.981 1.228 0.593 0.353 0.625 0.500 CA 0.672 ? Z: 6 3.138 1.687 0.593 0.287 0.800 0.600 CB 0.830 Z: 10 4.190 1.669 0.273 0.415 0.778 0.556 CB 0.923 10 residues pruned to eliminate duplicates Z: 9 21.221 1.943 1.010 0.901 1.000 0.500 CB 1.371 9 residues pruned to eliminate duplicates Z: 9 15.547 2.004 0.423 0.864 1.000 0.875 CB 1.413 9 residues pruned to eliminate duplicates Z: 50 40.477 2.293 0.696 0.604 0.918 0.673 CB 1.467 50 residues pruned to eliminate duplicates Z: 37 19.715 2.002 0.453 0.476 0.917 0.556 CB 1.262 37 residues pruned to eliminate duplicates Z: 8 5.215 1.658 0.572 0.308 0.714 0.429 CB 1.310 8 residues pruned to eliminate duplicates Z: 31 35.048 2.161 0.774 0.606 0.933 0.633 CB 1.617 31 residues pruned to eliminate duplicates Z: 43 42.633 2.245 0.749 0.631 0.952 0.690 CB 1.555 43 residues pruned to eliminate duplicates 6 1.458 1.015 1.018 0.395 0.600 0.600 C 0.593 ? Z: 18 14.964 2.022 0.417 0.488 1.000 0.471 CB 1.282 18 residues pruned to eliminate duplicates Z: 46 33.390 2.148 0.657 0.596 0.867 0.667 CB 1.473 46 residues pruned to eliminate duplicates Z: 37 18.639 1.964 0.395 0.476 0.917 0.556 CB 1.267 37 residues pruned to eliminate duplicates Z: 9 5.404 1.689 -0.128 0.644 1.000 0.625 CB 1.135 Z: 8 3.092 1.379 0.628 0.213 0.714 0.429 O 1.023 Z: 44 35.869 2.014 0.820 0.520 1.000 0.605 CB 1.463 40 residues pruned to eliminate duplicates Z: 24 43.755 2.481 0.868 0.576 1.000 0.652 CB 1.830 29 residues pruned to eliminate duplicates Z: 26 42.413 2.365 0.843 0.777 0.960 0.800 CB 1.588 26 residues pruned to eliminate duplicates Z: 8 6.631 1.766 0.087 0.677 0.857 0.714 O 1.295 Z: 6 4.975 1.661 0.144 0.623 0.800 0.600 N 1.303 Z: 40 38.734 2.243 0.735 0.647 0.949 0.718 CB 1.464 40 residues pruned to eliminate duplicates Z: 14 11.467 1.926 0.383 0.459 0.923 0.538 CB 1.348 14 residues pruned to eliminate duplicates Z: 50 32.449 2.139 0.620 0.504 0.959 0.490 CB 1.389 50 residues pruned to eliminate duplicates Z: 16 18.814 2.179 0.861 0.484 0.933 0.667 CB 1.304 16 residues pruned to eliminate duplicates Z: 10 15.206 1.778 0.992 0.788 0.889 0.667 CB 1.250 10 residues pruned to eliminate duplicates Z: 38 34.215 2.209 0.595 0.644 0.946 0.676 CB 1.475 38 residues pruned to eliminate duplicates Z: 13 15.605 2.136 0.740 0.462 0.917 0.750 CB 1.374 13 residues pruned to eliminate duplicates Z: 6 3.666 1.712 0.283 0.553 1.000 0.600 CB 0.709 Using tripeptides from previous cycle as seeds Z: 6 2.960 1.559 0.401 0.150 0.800 0.200 CA 1.165 Z: 6 6.161 2.106 0.509 0.268 0.800 0.400 CA 1.411 Z: 6 3.466 1.494 0.512 0.212 0.800 0.400 O 1.204 6 residues pruned to eliminate duplicates Z: 6 10.555 2.114 0.716 0.424 1.000 0.600 CA 1.407 4 residues pruned to eliminate duplicates Z: 6 7.821 1.572 1.035 0.472 1.000 1.000 CA 1.125 6 residues pruned to eliminate duplicates Z: 80 36.181 2.064 0.511 0.536 0.886 0.544 CB 1.423 80 residues pruned to eliminate duplicates Z: 20 17.201 2.060 0.721 0.478 0.842 0.579 CB 1.351 20 residues pruned to eliminate duplicates Z: 24 16.657 2.055 0.562 0.443 0.826 0.478 CB 1.389 24 residues pruned to eliminate duplicates Z: 38 19.808 1.962 0.397 0.464 0.919 0.568 CB 1.341 38 residues pruned to eliminate duplicates Z: 33 19.955 1.984 0.458 0.473 0.938 0.531 CB 1.337 39 residues pruned to eliminate duplicates Z: 61 34.814 2.148 0.581 0.587 0.850 0.650 CB 1.433 61 residues pruned to eliminate duplicates Z: 41 21.179 1.971 0.524 0.452 0.900 0.575 CB 1.301 49 residues pruned to eliminate duplicates Z: 38 21.265 1.985 0.523 0.443 0.946 0.568 CB 1.297 38 residues pruned to eliminate duplicates Z: 39 20.673 2.008 0.507 0.464 0.895 0.553 CB 1.285 39 residues pruned to eliminate duplicates Z: 42 21.783 1.948 0.481 0.477 0.927 0.463 CB 1.302 42 residues pruned to eliminate duplicates Z: 52 32.515 2.148 0.413 0.584 0.941 0.686 CB 1.470 52 residues pruned to eliminate duplicates Z: 15 6.029 1.837 0.362 0.266 0.857 0.357 CB 0.981 15 residues pruned to eliminate duplicates Z: 27 16.079 2.050 0.658 0.421 0.769 0.500 CB 1.310 27 residues pruned to eliminate duplicates Z: 7 9.412 1.975 0.508 0.303 1.000 0.500 CB 1.607 7 residues pruned to eliminate duplicates Z: 42 28.077 2.060 0.484 0.592 0.902 0.683 CB 1.456 42 residues pruned to eliminate duplicates Z: 37 35.489 2.213 0.516 0.679 0.944 0.778 CB 1.584 37 residues pruned to eliminate duplicates Z: 76 36.821 2.052 0.557 0.556 0.893 0.627 CB 1.411 76 residues pruned to eliminate duplicates Z: 51 32.098 2.131 0.467 0.585 0.920 0.680 CB 1.455 51 residues pruned to eliminate duplicates Z: 45 38.378 2.202 0.625 0.621 0.932 0.705 CB 1.548 45 residues pruned to eliminate duplicates Z: 49 33.990 2.140 0.460 0.612 0.938 0.667 CB 1.506 49 residues pruned to eliminate duplicates Z: 32 30.776 2.207 0.711 0.572 0.903 0.613 CB 1.511 32 residues pruned to eliminate duplicates Z: 47 32.331 2.155 0.467 0.602 0.913 0.652 CB 1.499 47 residues pruned to eliminate duplicates Z: 61 31.541 2.118 0.500 0.587 0.850 0.667 CB 1.387 61 residues pruned to eliminate duplicates Z: 56 33.294 2.134 0.546 0.585 0.891 0.636 CB 1.407 56 residues pruned to eliminate duplicates Z: 83 34.407 2.052 0.456 0.538 0.878 0.707 CB 1.396 83 residues pruned to eliminate duplicates Z: 120 49.538 2.096 0.583 0.584 0.882 0.630 CB 1.431 41 residues pruned to eliminate duplicates Z: 25 33.094 2.083 0.514 0.929 1.000 0.875 CB 1.499 25 residues pruned to eliminate duplicates Z: 47 32.705 2.141 0.472 0.586 0.913 0.696 CB 1.542 47 residues pruned to eliminate duplicates Z: 38 35.433 2.193 0.601 0.662 0.892 0.676 CB 1.600 38 residues pruned to eliminate duplicates Z: 37 37.331 2.230 0.697 0.658 0.917 0.750 CB 1.549 37 residues pruned to eliminate duplicates Z: 72 37.040 2.087 0.614 0.557 0.873 0.648 CB 1.413 72 residues pruned to eliminate duplicates Z: 38 33.171 2.135 0.600 0.673 0.919 0.703 CB 1.481 38 residues pruned to eliminate duplicates Z: 49 28.978 2.114 0.452 0.559 0.875 0.604 CB 1.470 49 residues pruned to eliminate duplicates Z: 54 31.527 2.106 0.540 0.534 0.887 0.642 CB 1.456 54 residues pruned to eliminate duplicates Z: 59 30.744 2.112 0.491 0.564 0.897 0.638 CB 1.344 59 residues pruned to eliminate duplicates Z: 78 36.014 2.092 0.600 0.533 0.857 0.584 CB 1.384 78 residues pruned to eliminate duplicates Z: 71 45.588 2.128 0.740 0.600 0.929 0.629 CB 1.440 71 residues pruned to eliminate duplicates Z: 45 36.387 2.137 0.768 0.612 0.909 0.568 CB 1.437 45 residues pruned to eliminate duplicates Z: 78 29.823 2.020 0.552 0.456 0.831 0.455 CB 1.365 78 residues pruned to eliminate duplicates Z: 36 38.269 2.133 0.809 0.710 0.914 0.571 CB 1.515 36 residues pruned to eliminate duplicates Z: 78 45.019 2.122 0.692 0.559 0.935 0.519 CB 1.443 78 residues pruned to eliminate duplicates Z: 79 39.725 2.079 0.628 0.557 0.910 0.526 CB 1.381 79 residues pruned to eliminate duplicates Z: 39 45.232 2.203 0.975 0.675 0.947 0.605 CB 1.515 39 residues pruned to eliminate duplicates Z: 45 37.940 2.169 0.824 0.615 0.886 0.523 CB 1.462 45 residues pruned to eliminate duplicates Z: 82 40.424 2.082 0.693 0.548 0.864 0.494 CB 1.407 82 residues pruned to eliminate duplicates Z: 38 38.955 2.126 0.854 0.690 0.919 0.405 CB 1.485 38 residues pruned to eliminate duplicates Z: 48 38.644 2.161 0.880 0.575 0.872 0.553 CB 1.480 48 residues pruned to eliminate duplicates Z: 48 39.508 2.150 0.795 0.580 0.915 0.553 CB 1.511 48 residues pruned to eliminate duplicates Z: 49 26.572 2.055 0.552 0.542 0.833 0.562 CB 1.385 49 residues pruned to eliminate duplicates Z: 77 34.171 1.996 0.755 0.482 0.842 0.474 CB 1.353 77 residues pruned to eliminate duplicates Z: 39 45.806 2.179 1.045 0.653 0.974 0.474 CB 1.485 39 residues pruned to eliminate duplicates Z: 54 40.565 2.158 0.849 0.607 0.887 0.604 CB 1.422 54 residues pruned to eliminate duplicates Z: 9 4.859 1.852 0.329 0.302 0.750 0.625 CB 1.161 9 residues pruned to eliminate duplicates Z: 46 38.831 2.162 0.832 0.595 0.911 0.444 CB 1.465 46 residues pruned to eliminate duplicates Z: 49 40.004 2.157 0.821 0.608 0.917 0.479 CB 1.447 49 residues pruned to eliminate duplicates Z: 51 38.914 2.115 0.826 0.588 0.940 0.460 CB 1.394 41 residues pruned to eliminate duplicates Z: 6 5.574 1.732 0.857 0.626 0.800 0.600 CA 0.860 6 residues pruned to eliminate duplicates Z: 90 43.265 2.140 0.648 0.529 0.910 0.528 CB 1.389 90 residues pruned to eliminate duplicates Z: 59 38.305 2.251 0.679 0.578 0.862 0.655 CB 1.432 59 residues pruned to eliminate duplicates Z: 43 33.320 2.145 0.702 0.612 0.857 0.548 CB 1.477 43 residues pruned to eliminate duplicates Z: 42 44.446 2.351 0.792 0.627 0.902 0.659 CB 1.620 42 residues pruned to eliminate duplicates Z: 99 54.365 2.224 0.716 0.571 0.929 0.602 CB 1.446 99 residues pruned to eliminate duplicates Z: 38 48.689 2.328 1.005 0.654 0.946 0.649 CB 1.571 38 residues pruned to eliminate duplicates Z: 97 49.720 2.200 0.727 0.562 0.885 0.594 CB 1.420 97 residues pruned to eliminate duplicates Z: 38 47.953 2.301 1.031 0.667 0.919 0.459 CB 1.572 38 residues pruned to eliminate duplicates Z: 40 45.089 2.318 0.897 0.648 0.949 0.538 CB 1.507 40 residues pruned to eliminate duplicates Z: 37 49.911 2.339 0.967 0.677 0.944 0.500 CB 1.626 37 residues pruned to eliminate duplicates Z: 82 55.023 2.266 0.711 0.612 0.951 0.568 CB 1.492 82 residues pruned to eliminate duplicates Z: 39 44.184 2.290 0.959 0.630 0.947 0.553 CB 1.492 39 residues pruned to eliminate duplicates Z: 95 49.295 2.164 0.771 0.524 0.904 0.479 CB 1.433 95 residues pruned to eliminate duplicates Z: 65 35.280 2.145 0.686 0.512 0.844 0.453 CB 1.428 65 residues pruned to eliminate duplicates Z: 47 45.339 2.251 0.932 0.650 0.848 0.500 CB 1.577 47 residues pruned to eliminate duplicates Z: 50 42.401 2.299 0.853 0.590 0.857 0.429 CB 1.522 50 residues pruned to eliminate duplicates Z: 42 48.739 2.304 1.084 0.646 0.927 0.537 CB 1.493 42 residues pruned to eliminate duplicates Z: 39 46.822 2.276 1.142 0.627 0.868 0.421 CB 1.592 39 residues pruned to eliminate duplicates Z: 89 57.173 2.255 0.754 0.605 0.920 0.511 CB 1.515 89 residues pruned to eliminate duplicates Z: 95 55.296 2.220 0.845 0.563 0.915 0.543 CB 1.432 95 residues pruned to eliminate duplicates Z: 92 61.068 2.236 0.849 0.590 0.923 0.582 CB 1.538 92 residues pruned to eliminate duplicates Z: 60 36.892 2.182 0.843 0.542 0.831 0.424 CB 1.380 60 residues pruned to eliminate duplicates Z: 49 45.239 2.237 0.982 0.556 0.917 0.396 CB 1.522 49 residues pruned to eliminate duplicates Z: 48 39.068 2.203 0.825 0.590 0.894 0.511 CB 1.455 48 residues pruned to eliminate duplicates Z: 48 43.136 2.287 0.926 0.570 0.894 0.426 CB 1.494 48 residues pruned to eliminate duplicates Z: 49 52.611 2.296 1.013 0.666 0.938 0.500 CB 1.503 49 residues pruned to eliminate duplicates Z: 123 58.476 2.227 0.764 0.544 0.844 0.516 CB 1.529 123 residues pruned to eliminate duplicates Z: 49 55.401 2.322 1.007 0.665 0.958 0.458 CB 1.537 49 residues pruned to eliminate duplicates Z: 50 44.372 2.238 0.903 0.637 0.898 0.531 CB 1.457 50 residues pruned to eliminate duplicates Z: 42 48.456 2.267 1.032 0.650 0.902 0.390 CB 1.584 42 residues pruned to eliminate duplicates Z: 51 47.414 2.259 1.032 0.653 0.880 0.500 CB 1.440 51 residues pruned to eliminate duplicates Z: 54 41.880 2.182 0.935 0.568 0.868 0.491 CB 1.470 54 residues pruned to eliminate duplicates Z: 92 52.499 2.224 0.791 0.554 0.912 0.473 CB 1.437 92 residues pruned to eliminate duplicates Z: 74 62.961 2.287 0.974 0.653 0.932 0.616 CB 1.519 74 residues pruned to eliminate duplicates Z: 19 12.943 2.134 0.559 0.415 0.778 0.556 CB 1.288 19 residues pruned to eliminate duplicates Z: 50 43.849 2.289 0.975 0.555 0.878 0.429 CB 1.497 50 residues pruned to eliminate duplicates Z: 51 49.285 2.314 1.011 0.582 0.880 0.480 CB 1.573 51 residues pruned to eliminate duplicates Z: 15 13.367 2.144 0.705 0.359 0.786 0.500 CB 1.447 15 residues pruned to eliminate duplicates Z: 81 56.559 2.238 0.837 0.604 0.913 0.488 CB 1.527 81 residues pruned to eliminate duplicates Z: 91 71.425 2.364 0.895 0.627 0.911 0.589 CB 1.636 91 residues pruned to eliminate duplicates Z: 50 47.301 2.367 0.710 0.636 0.939 0.776 CB 1.565 50 residues pruned to eliminate duplicates Z: 34 37.373 2.261 0.622 0.640 1.000 0.697 CB 1.556 34 residues pruned to eliminate duplicates Z: 78 47.923 2.173 0.947 0.542 0.883 0.442 CB 1.402 102 residues pruned to eliminate duplicates Z: 35 35.044 2.176 0.803 0.603 0.941 0.588 CB 1.476 35 residues pruned to eliminate duplicates Z: 40 36.317 2.237 0.800 0.588 0.923 0.667 CB 1.438 40 residues pruned to eliminate duplicates Z: 33 36.222 2.260 0.724 0.632 0.906 0.594 CB 1.602 33 residues pruned to eliminate duplicates Z: 56 49.497 2.266 1.006 0.587 0.909 0.509 CB 1.487 56 residues pruned to eliminate duplicates Z: 42 37.378 2.244 0.615 0.639 0.951 0.585 CB 1.486 42 residues pruned to eliminate duplicates Z: 52 49.077 2.259 0.780 0.708 0.922 0.569 CB 1.534 52 residues pruned to eliminate duplicates Z: 38 30.351 2.229 0.578 0.636 0.919 0.595 CB 1.359 38 residues pruned to eliminate duplicates Z: 45 36.853 2.236 0.749 0.557 0.886 0.568 CB 1.516 45 residues pruned to eliminate duplicates Z: 62 53.142 2.378 0.682 0.587 0.967 0.639 CB 1.618 62 residues pruned to eliminate duplicates Z: 36 34.288 2.202 0.679 0.677 0.943 0.600 CB 1.412 36 residues pruned to eliminate duplicates Z: 101 66.710 2.288 0.834 0.577 0.930 0.570 CB 1.588 101 residues pruned to eliminate duplicates Z: 62 43.661 2.288 0.741 0.519 0.918 0.623 CB 1.501 62 residues pruned to eliminate duplicates Z: 41 32.221 2.165 0.632 0.569 0.875 0.600 CB 1.542 41 residues pruned to eliminate duplicates Z: 103 60.805 2.271 0.816 0.559 0.892 0.510 CB 1.545 103 residues pruned to eliminate duplicates Z: 57 47.231 2.342 0.652 0.571 0.946 0.500 CB 1.610 57 residues pruned to eliminate duplicates Z: 43 40.045 2.260 0.734 0.634 0.905 0.595 CB 1.536 43 residues pruned to eliminate duplicates Z: 30 35.739 2.288 0.720 0.700 1.000 0.621 CB 1.405 30 residues pruned to eliminate duplicates Z: 51 34.915 2.039 0.661 0.587 0.940 0.540 CB 1.427 51 residues pruned to eliminate duplicates Z: 33 36.962 2.294 0.684 0.705 0.969 0.625 CB 1.448 33 residues pruned to eliminate duplicates Z: 97 70.632 2.349 0.827 0.626 0.948 0.573 CB 1.574 97 residues pruned to eliminate duplicates Z: 64 47.833 2.338 0.614 0.549 0.952 0.603 CB 1.599 64 residues pruned to eliminate duplicates Z: 43 35.220 2.282 0.527 0.605 0.976 0.548 CB 1.446 43 residues pruned to eliminate duplicates Z: 64 43.414 2.321 0.586 0.511 0.937 0.587 CB 1.569 64 residues pruned to eliminate duplicates Z: 59 48.743 2.368 0.731 0.550 0.931 0.586 CB 1.597 59 residues pruned to eliminate duplicates Z: 64 52.999 2.340 0.689 0.569 0.984 0.651 CB 1.606 64 residues pruned to eliminate duplicates Z: 45 32.259 2.166 0.596 0.560 0.932 0.523 CB 1.424 45 residues pruned to eliminate duplicates Z: 44 36.734 2.252 0.712 0.600 0.884 0.512 CB 1.495 44 residues pruned to eliminate duplicates Z: 38 33.056 2.313 0.540 0.626 0.919 0.568 CB 1.475 38 residues pruned to eliminate duplicates Z: 7 6.297 2.257 0.282 0.381 0.833 0.333 CB 1.210 7 residues pruned to eliminate duplicates Z: 65 32.665 2.194 0.637 0.518 0.828 0.453 CB 1.349 65 residues pruned to eliminate duplicates Z: 59 39.143 2.269 0.664 0.579 0.914 0.552 CB 1.380 59 residues pruned to eliminate duplicates Z: 34 23.629 2.229 0.681 0.411 0.879 0.394 CB 1.372 34 residues pruned to eliminate duplicates Z: 122 58.450 2.209 0.669 0.575 0.917 0.628 CB 1.461 122 residues pruned to eliminate duplicates Z: 40 30.573 2.023 0.812 0.569 0.897 0.641 CB 1.392 40 residues pruned to eliminate duplicates Z: 82 46.331 2.180 0.736 0.526 0.951 0.568 CB 1.394 82 residues pruned to eliminate duplicates Z: 51 31.636 2.038 0.710 0.509 0.960 0.500 CB 1.325 51 residues pruned to eliminate duplicates Z: 39 19.829 1.943 0.535 0.433 0.921 0.474 CB 1.255 39 residues pruned to eliminate duplicates Z: 42 31.800 2.039 0.801 0.539 0.951 0.561 CB 1.368 42 residues pruned to eliminate duplicates Z: 92 50.435 2.161 0.795 0.562 0.923 0.582 CB 1.391 92 residues pruned to eliminate duplicates Z: 35 21.399 1.988 0.566 0.435 0.941 0.382 CB 1.339 35 residues pruned to eliminate duplicates Z: 37 21.141 1.955 0.701 0.463 0.861 0.556 CB 1.278 37 residues pruned to eliminate duplicates Z: 23 21.321 2.182 0.710 0.439 0.909 0.591 CB 1.426 23 residues pruned to eliminate duplicates Z: 45 30.209 2.008 0.769 0.514 0.909 0.523 CB 1.391 45 residues pruned to eliminate duplicates Z: 51 38.426 2.289 0.813 0.526 0.880 0.580 CB 1.450 51 residues pruned to eliminate duplicates Z: 37 19.668 2.098 0.676 0.376 0.778 0.556 CB 1.369 37 residues pruned to eliminate duplicates Z: 51 28.620 2.017 0.716 0.489 0.880 0.500 CB 1.344 51 residues pruned to eliminate duplicates Z: 46 25.346 1.936 0.764 0.472 0.867 0.600 CB 1.314 46 residues pruned to eliminate duplicates Z: 42 27.960 2.029 0.744 0.545 0.878 0.585 CB 1.345 42 residues pruned to eliminate duplicates Z: 18 6.452 1.752 0.284 0.339 0.824 0.412 CB 1.007 18 residues pruned to eliminate duplicates Z: 52 38.864 2.301 0.696 0.559 0.902 0.588 CB 1.460 52 residues pruned to eliminate duplicates Z: 89 52.280 2.195 0.814 0.581 0.909 0.580 CB 1.424 89 residues pruned to eliminate duplicates Z: 30 22.329 2.161 0.699 0.445 0.862 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 51 40.972 2.272 0.762 0.583 0.880 0.680 CB 1.519 51 residues pruned to eliminate duplicates Z: 40 38.614 2.313 0.709 0.647 0.923 0.692 CB 1.477 40 residues pruned to eliminate duplicates Z: 90 52.338 2.187 0.786 0.578 0.921 0.640 CB 1.430 90 residues pruned to eliminate duplicates Z: 92 46.874 2.181 0.594 0.566 0.923 0.615 CB 1.437 92 residues pruned to eliminate duplicates Z: 94 47.830 2.129 0.720 0.566 0.914 0.656 CB 1.390 94 residues pruned to eliminate duplicates Z: 29 29.090 2.311 0.731 0.527 0.857 0.607 CB 1.561 29 residues pruned to eliminate duplicates Z: 27 40.155 2.367 0.883 0.780 0.923 0.769 CB 1.496 27 residues pruned to eliminate duplicates Z: 23 34.900 2.261 1.192 0.622 0.955 0.682 CB 1.401 23 residues pruned to eliminate duplicates Z: 50 38.167 2.281 0.772 0.542 0.898 0.714 CB 1.442 50 residues pruned to eliminate duplicates Z: 31 37.906 2.355 0.900 0.595 0.900 0.667 CB 1.570 31 residues pruned to eliminate duplicates Z: 60 42.399 2.285 0.627 0.603 0.898 0.661 CB 1.499 60 residues pruned to eliminate duplicates Z: 51 39.543 2.271 0.774 0.559 0.880 0.560 CB 1.490 51 residues pruned to eliminate duplicates Z: 32 37.883 2.348 0.895 0.608 0.935 0.645 CB 1.476 32 residues pruned to eliminate duplicates Z: 92 48.203 2.161 0.715 0.535 0.901 0.560 CB 1.462 92 residues pruned to eliminate duplicates Z: 42 40.531 2.294 0.740 0.645 0.878 0.634 CB 1.577 42 residues pruned to eliminate duplicates Z: 47 39.058 2.249 0.903 0.549 0.891 0.609 CB 1.439 47 residues pruned to eliminate duplicates Z: 89 54.757 2.260 0.731 0.592 0.886 0.534 CB 1.542 89 residues pruned to eliminate duplicates Z: 51 44.392 2.313 0.782 0.637 0.900 0.540 CB 1.489 51 residues pruned to eliminate duplicates Z: 46 46.951 2.304 0.874 0.624 0.911 0.578 CB 1.583 46 residues pruned to eliminate duplicates Z: 52 44.542 2.231 0.953 0.583 0.922 0.392 CB 1.434 52 residues pruned to eliminate duplicates Z: 82 47.548 2.204 0.803 0.554 0.877 0.531 CB 1.439 82 residues pruned to eliminate duplicates Z: 44 45.084 2.310 0.920 0.629 0.907 0.605 CB 1.515 44 residues pruned to eliminate duplicates Z: 50 44.212 2.286 0.873 0.610 0.918 0.429 CB 1.447 50 residues pruned to eliminate duplicates Z: 92 52.539 2.169 0.896 0.553 0.912 0.538 CB 1.394 92 residues pruned to eliminate duplicates Z: 57 45.191 2.292 0.905 0.579 0.857 0.482 CB 1.495 57 residues pruned to eliminate duplicates Z: 63 51.118 2.280 0.958 0.604 0.903 0.516 CB 1.460 63 residues pruned to eliminate duplicates Z: 82 48.133 2.164 0.899 0.545 0.889 0.481 CB 1.402 82 residues pruned to eliminate duplicates Z: 47 50.198 2.305 1.089 0.588 0.913 0.543 CB 1.548 47 residues pruned to eliminate duplicates Z: 47 48.534 2.334 1.047 0.608 0.891 0.522 CB 1.517 47 residues pruned to eliminate duplicates Z: 47 47.249 2.316 1.054 0.606 0.891 0.435 CB 1.485 47 residues pruned to eliminate duplicates Z: 108 68.894 2.332 0.809 0.589 0.907 0.533 CB 1.599 108 residues pruned to eliminate duplicates Z: 46 44.844 2.272 0.961 0.649 0.889 0.556 CB 1.469 46 residues pruned to eliminate duplicates Z: 48 46.637 2.299 0.989 0.599 0.894 0.468 CB 1.516 48 residues pruned to eliminate duplicates Z: 43 44.899 2.311 0.979 0.641 0.905 0.405 CB 1.468 43 residues pruned to eliminate duplicates Z: 50 47.748 2.310 0.965 0.566 0.878 0.551 CB 1.606 50 residues pruned to eliminate duplicates Z: 92 54.199 2.180 0.904 0.562 0.901 0.549 CB 1.431 92 residues pruned to eliminate duplicates Z: 26 33.480 2.230 0.872 0.694 0.920 0.600 CB 1.460 26 residues pruned to eliminate duplicates Z: 90 54.516 2.234 0.733 0.593 0.910 0.596 CB 1.501 90 residues pruned to eliminate duplicates Z: 12 11.521 2.170 0.484 0.356 0.818 0.455 CB 1.541 12 residues pruned to eliminate duplicates Z: 38 50.946 2.337 1.100 0.699 0.946 0.486 CB 1.505 38 residues pruned to eliminate duplicates Z: 73 48.941 2.301 0.698 0.516 0.917 0.528 CB 1.586 73 residues pruned to eliminate duplicates Z: 49 51.688 2.344 1.029 0.602 0.917 0.479 CB 1.553 49 residues pruned to eliminate duplicates Z: 42 51.741 2.311 1.097 0.638 0.951 0.561 CB 1.540 42 residues pruned to eliminate duplicates Z: 32 36.920 2.259 0.863 0.666 0.903 0.419 CB 1.496 32 residues pruned to eliminate duplicates Z: 53 45.260 2.279 0.988 0.541 0.865 0.481 CB 1.537 53 residues pruned to eliminate duplicates Z: 6 3.079 1.927 0.448 0.100 0.800 0.600 CB 1.028 6 residues pruned to eliminate duplicates Z: 52 41.539 2.210 0.952 0.570 0.843 0.549 CB 1.494 52 residues pruned to eliminate duplicates Z: 32 22.054 2.035 0.707 0.403 0.935 0.548 CB 1.350 32 residues pruned to eliminate duplicates Z: 16 17.785 2.121 0.752 0.544 0.933 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 14 21.023 2.232 0.829 0.592 0.923 0.923 CB 1.417 14 residues pruned to eliminate duplicates Z: 42 38.995 2.271 0.592 0.649 0.951 0.732 CB 1.542 42 residues pruned to eliminate duplicates Z: 42 37.064 2.213 0.677 0.642 0.951 0.683 CB 1.436 42 residues pruned to eliminate duplicates Z: 17 17.967 2.092 0.711 0.508 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 18 19.013 2.031 0.922 0.487 0.882 0.706 CB 1.356 18 residues pruned to eliminate duplicates Z: 37 32.887 2.180 0.710 0.613 0.861 0.667 CB 1.534 37 residues pruned to eliminate duplicates Z: 42 36.792 2.220 0.686 0.614 0.902 0.634 CB 1.526 42 residues pruned to eliminate duplicates Z: 45 42.338 2.265 0.791 0.616 0.955 0.659 CB 1.477 45 residues pruned to eliminate duplicates Z: 42 39.469 2.207 0.784 0.621 0.951 0.610 CB 1.469 42 residues pruned to eliminate duplicates Z: 43 42.358 2.243 0.746 0.644 0.952 0.738 CB 1.532 43 residues pruned to eliminate duplicates Z: 44 34.074 2.206 0.587 0.577 0.930 0.581 CB 1.482 44 residues pruned to eliminate duplicates Z: 42 32.367 2.242 0.553 0.600 0.902 0.683 CB 1.462 42 residues pruned to eliminate duplicates Z: 43 39.611 2.244 0.667 0.604 0.976 0.690 CB 1.517 43 residues pruned to eliminate duplicates Z: 62 41.534 2.216 0.613 0.504 0.918 0.705 CB 1.614 49 residues pruned to eliminate duplicates Z: 19 29.758 2.277 0.277 0.904 1.000 0.778 CB 1.719 19 residues pruned to eliminate duplicates Z: 43 36.633 2.226 0.613 0.613 0.952 0.690 CB 1.486 43 residues pruned to eliminate duplicates Z: 46 35.426 2.175 0.738 0.550 0.889 0.667 CB 1.498 46 residues pruned to eliminate duplicates Z: 44 37.119 2.214 0.600 0.611 0.930 0.581 CB 1.547 44 residues pruned to eliminate duplicates Z: 86 45.341 2.168 0.595 0.491 0.953 0.565 CB 1.505 86 residues pruned to eliminate duplicates Z: 42 40.506 2.228 0.664 0.632 0.976 0.634 CB 1.545 42 residues pruned to eliminate duplicates Z: 121 50.512 2.173 0.595 0.490 0.908 0.483 CB 1.479 81 residues pruned to eliminate duplicates Z: 19 25.573 2.196 0.528 0.834 0.833 0.444 CB 1.616 19 residues pruned to eliminate duplicates Z: 66 48.171 2.296 0.660 0.554 0.908 0.600 CB 1.639 66 residues pruned to eliminate duplicates Z: 36 33.317 2.279 0.533 0.641 0.914 0.629 CB 1.545 36 residues pruned to eliminate duplicates Z: 44 36.762 2.207 0.633 0.599 0.930 0.651 CB 1.521 44 residues pruned to eliminate duplicates Z: 39 38.054 2.285 0.555 0.653 0.974 0.658 CB 1.547 39 residues pruned to eliminate duplicates Z: 38 31.954 2.229 0.583 0.577 0.892 0.541 CB 1.551 38 residues pruned to eliminate duplicates Z: 41 39.871 2.285 0.639 0.633 0.975 0.575 CB 1.524 41 residues pruned to eliminate duplicates Z: 41 45.252 2.289 0.768 0.647 0.975 0.675 CB 1.581 41 residues pruned to eliminate duplicates Z: 48 44.222 2.308 0.759 0.543 0.894 0.617 CB 1.704 48 residues pruned to eliminate duplicates Z: 65 43.741 2.270 0.579 0.517 0.938 0.562 CB 1.601 65 residues pruned to eliminate duplicates Z: 51 41.478 2.271 0.658 0.578 0.920 0.660 CB 1.572 51 residues pruned to eliminate duplicates Z: 44 33.121 2.215 0.548 0.579 0.907 0.628 CB 1.505 44 residues pruned to eliminate duplicates Z: 42 31.806 2.117 0.593 0.548 0.927 0.585 CB 1.517 42 residues pruned to eliminate duplicates Z: 11 19.685 2.440 0.683 0.539 0.900 0.800 CA 1.621 11 residues pruned to eliminate duplicates Z: 81 42.422 2.112 0.626 0.486 0.963 0.538 CB 1.455 81 residues pruned to eliminate duplicates Z: 28 30.867 2.311 0.753 0.454 0.926 0.667 CB 1.661 28 residues pruned to eliminate duplicates Z: 27 22.934 1.997 0.689 0.487 0.962 0.692 CB 1.406 27 residues pruned to eliminate duplicates Z: 7 12.668 2.231 0.240 0.515 1.000 1.000 CA 1.843 7 residues pruned to eliminate duplicates Z: 44 25.920 2.041 0.588 0.441 0.953 0.512 CB 1.359 44 residues pruned to eliminate duplicates Z: 38 28.596 2.139 0.621 0.462 0.946 0.514 CB 1.489 38 residues pruned to eliminate duplicates Z: 41 28.489 2.093 0.577 0.467 0.950 0.525 CB 1.486 41 residues pruned to eliminate duplicates Z: 27 33.995 2.377 0.694 0.505 1.000 0.615 CB 1.648 27 residues pruned to eliminate duplicates Z: 36 30.446 2.140 0.672 0.485 1.000 0.543 CB 1.460 36 residues pruned to eliminate duplicates Z: 37 26.518 2.112 0.511 0.468 0.972 0.611 CB 1.472 37 residues pruned to eliminate duplicates Z: 24 26.508 2.299 0.727 0.402 0.913 0.565 CB 1.691 24 residues pruned to eliminate duplicates Z: 24 35.340 2.392 0.711 0.511 0.957 0.609 CB 1.861 24 residues pruned to eliminate duplicates Z: 25 35.551 2.404 0.816 0.515 1.000 0.667 CB 1.638 25 residues pruned to eliminate duplicates Z: 38 29.820 2.115 0.660 0.448 0.946 0.514 CB 1.557 38 residues pruned to eliminate duplicates Z: 32 33.454 2.275 0.845 0.415 0.968 0.613 CB 1.617 32 residues pruned to eliminate duplicates Z: 41 32.338 2.103 0.675 0.495 0.950 0.600 CB 1.536 41 residues pruned to eliminate duplicates Z: 6 3.775 1.411 0.296 0.446 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 27 36.865 2.340 0.938 0.481 0.962 0.769 CB 1.690 27 residues pruned to eliminate duplicates Z: 101 53.856 2.199 0.735 0.535 0.940 0.610 CB 1.450 71 residues pruned to eliminate duplicates Z: 7 9.357 1.779 0.512 0.620 1.000 0.167 CB 1.268 7 residues pruned to eliminate duplicates Z: 23 11.952 1.842 0.432 0.458 0.864 0.318 CB 1.168 23 residues pruned to eliminate duplicates Z: 49 29.325 2.068 0.608 0.517 0.938 0.458 CB 1.335 49 residues pruned to eliminate duplicates Z: 22 19.943 2.039 0.488 0.610 1.000 0.571 CB 1.292 22 residues pruned to eliminate duplicates Z: 43 31.472 2.130 0.607 0.523 0.976 0.548 CB 1.421 43 residues pruned to eliminate duplicates Z: 23 19.612 1.962 0.670 0.601 0.955 0.364 CB 1.215 23 residues pruned to eliminate duplicates Z: 47 27.623 2.053 0.563 0.484 0.935 0.522 CB 1.380 47 residues pruned to eliminate duplicates Z: 53 25.357 2.055 0.512 0.449 0.904 0.519 CB 1.319 53 residues pruned to eliminate duplicates Z: 47 22.537 2.051 0.446 0.443 0.891 0.478 CB 1.333 47 residues pruned to eliminate duplicates Z: 36 20.969 2.045 0.503 0.480 0.914 0.629 CB 1.287 36 residues pruned to eliminate duplicates Z: 57 29.705 2.058 0.608 0.448 0.929 0.554 CB 1.363 57 residues pruned to eliminate duplicates Z: 37 22.253 2.094 0.502 0.457 0.861 0.528 CB 1.431 37 residues pruned to eliminate duplicates Z: 62 36.690 2.136 0.670 0.482 0.934 0.656 CB 1.435 62 residues pruned to eliminate duplicates Z: 85 43.335 2.204 0.623 0.521 0.869 0.583 CB 1.490 85 residues pruned to eliminate duplicates Z: 45 27.405 2.096 0.542 0.521 0.909 0.545 CB 1.378 45 residues pruned to eliminate duplicates Z: 46 30.292 2.119 0.623 0.521 0.933 0.600 CB 1.377 46 residues pruned to eliminate duplicates Z: 43 31.745 2.112 0.660 0.535 0.929 0.500 CB 1.453 43 residues pruned to eliminate duplicates Z: 81 43.259 2.132 0.646 0.545 0.925 0.625 CB 1.425 81 residues pruned to eliminate duplicates Z: 48 26.574 2.101 0.585 0.481 0.894 0.532 CB 1.327 48 residues pruned to eliminate duplicates Z: 29 21.072 2.011 0.549 0.462 0.964 0.571 CB 1.378 29 residues pruned to eliminate duplicates Z: 51 28.178 2.089 0.647 0.488 0.880 0.460 CB 1.332 51 residues pruned to eliminate duplicates Z: 52 27.073 2.071 0.592 0.455 0.902 0.569 CB 1.336 52 residues pruned to eliminate duplicates Z: 45 29.323 2.099 0.611 0.505 0.932 0.500 CB 1.396 45 residues pruned to eliminate duplicates Z: 89 44.617 2.169 0.599 0.538 0.920 0.614 CB 1.435 89 residues pruned to eliminate duplicates Z: 44 31.678 2.123 0.619 0.519 0.977 0.488 CB 1.413 44 residues pruned to eliminate duplicates Z: 46 30.234 2.105 0.628 0.518 0.933 0.533 CB 1.385 46 residues pruned to eliminate duplicates Z: 51 32.174 2.102 0.663 0.494 0.940 0.520 CB 1.394 51 residues pruned to eliminate duplicates Z: 52 28.873 2.073 0.611 0.486 0.902 0.431 CB 1.362 52 residues pruned to eliminate duplicates Z: 49 29.282 2.090 0.578 0.500 0.938 0.479 CB 1.367 49 residues pruned to eliminate duplicates Z: 13 16.143 2.159 0.843 0.470 0.917 0.417 CB 1.317 13 residues pruned to eliminate duplicates Z: 35 18.273 2.033 0.539 0.360 0.824 0.529 CB 1.413 35 residues pruned to eliminate duplicates Z: 44 23.319 2.050 0.499 0.455 0.884 0.419 CB 1.371 44 residues pruned to eliminate duplicates Z: 47 25.035 2.043 0.545 0.453 0.913 0.413 CB 1.343 47 residues pruned to eliminate duplicates Z: 17 13.591 2.011 0.627 0.459 0.812 0.500 CB 1.332 17 residues pruned to eliminate duplicates Z: 48 30.360 2.108 0.604 0.523 0.936 0.511 CB 1.367 48 residues pruned to eliminate duplicates Z: 45 30.373 2.115 0.606 0.541 0.932 0.545 CB 1.389 45 residues pruned to eliminate duplicates Z: 83 48.380 2.184 0.779 0.580 0.939 0.634 CB 1.356 83 residues pruned to eliminate duplicates Z: 63 40.621 2.243 0.777 0.557 0.839 0.597 CB 1.461 63 residues pruned to eliminate duplicates Z: 17 8.941 2.014 0.389 0.402 0.812 0.438 CB 1.090 17 residues pruned to eliminate duplicates Z: 30 24.396 2.124 0.997 0.441 0.828 0.207 CB 1.371 30 residues pruned to eliminate duplicates Z: 62 42.692 2.244 0.800 0.574 0.902 0.656 CB 1.398 50 residues pruned to eliminate duplicates Z: 8 7.580 1.840 0.443 0.502 1.000 1.000 CB 1.077 Z: 7 7.704 1.782 0.882 0.322 0.833 0.167 CA 1.368 Z: 6 9.440 2.045 1.465 0.186 0.800 0.400 CA 1.525 5 residues pruned to eliminate duplicates Z: 9 5.985 1.639 1.588 0.395 0.625 0.375 CB 0.892 9 residues pruned to eliminate duplicates Z: 39 27.935 2.214 0.617 0.461 0.921 0.632 CB 1.430 55 residues pruned to eliminate duplicates Z: 26 32.366 2.364 0.773 0.472 0.920 0.560 CB 1.728 Z: 6 3.553 1.579 0.946 0.293 0.600 0.400 N 1.088 6 residues pruned to eliminate duplicates Z: 12 13.981 2.029 0.829 0.427 0.818 0.545 CB 1.498 13 residues pruned to eliminate duplicates Z: 6 3.401 1.435 0.726 0.267 1.000 0.400 C 0.800 6 residues pruned to eliminate duplicates Z: 61 42.910 2.179 0.662 0.538 0.967 0.700 CB 1.525 61 residues pruned to eliminate duplicates Z: 40 33.989 2.140 0.634 0.632 0.923 0.769 CB 1.490 40 residues pruned to eliminate duplicates Z: 55 44.500 2.257 0.649 0.568 0.926 0.722 CB 1.645 55 residues pruned to eliminate duplicates Z: 64 40.240 2.194 0.491 0.550 0.937 0.683 CB 1.576 64 residues pruned to eliminate duplicates Z: 60 48.244 2.214 0.724 0.584 0.949 0.627 CB 1.600 60 residues pruned to eliminate duplicates Z: 60 45.183 2.245 0.582 0.564 0.966 0.661 CB 1.612 60 residues pruned to eliminate duplicates Z: 39 33.416 2.138 0.535 0.651 0.974 0.737 CB 1.474 39 residues pruned to eliminate duplicates Z: 64 41.652 2.154 0.652 0.512 0.968 0.571 CB 1.506 64 residues pruned to eliminate duplicates Z: 33 40.409 2.190 0.721 0.703 1.000 0.750 CB 1.575 33 residues pruned to eliminate duplicates Z: 31 29.840 2.123 0.530 0.633 0.967 0.600 CB 1.532 31 residues pruned to eliminate duplicates Z: 64 46.831 2.231 0.570 0.577 0.984 0.619 CB 1.590 64 residues pruned to eliminate duplicates Z: 42 33.894 2.120 0.544 0.609 0.951 0.634 CB 1.533 42 residues pruned to eliminate duplicates Z: 34 26.840 2.085 0.621 0.581 0.879 0.545 CB 1.456 34 residues pruned to eliminate duplicates Z: 61 45.337 2.244 0.631 0.531 0.950 0.567 CB 1.633 61 residues pruned to eliminate duplicates Z: 37 30.629 2.155 0.606 0.669 0.917 0.694 CB 1.377 37 residues pruned to eliminate duplicates Z: 62 44.833 2.247 0.583 0.537 0.967 0.574 CB 1.609 62 residues pruned to eliminate duplicates Z: 59 44.377 2.192 0.609 0.616 0.983 0.621 CB 1.506 59 residues pruned to eliminate duplicates Z: 63 40.145 2.199 0.500 0.557 0.952 0.629 CB 1.536 63 residues pruned to eliminate duplicates Z: 60 44.610 2.208 0.634 0.564 0.983 0.644 CB 1.538 60 residues pruned to eliminate duplicates Z: 42 32.841 2.151 0.503 0.583 0.976 0.659 CB 1.502 42 residues pruned to eliminate duplicates Z: 56 46.409 2.246 0.649 0.588 0.982 0.636 CB 1.581 56 residues pruned to eliminate duplicates Z: 84 51.130 2.163 0.745 0.620 0.904 0.530 CB 1.469 47 residues pruned to eliminate duplicates Z: 19 27.172 2.155 0.440 0.899 0.944 0.778 CB 1.562 19 residues pruned to eliminate duplicates Z: 60 43.065 2.208 0.605 0.547 0.966 0.610 CB 1.564 45 residues pruned to eliminate duplicates Z: 19 25.446 2.107 0.674 0.851 0.889 0.778 CB 1.415 19 residues pruned to eliminate duplicates Z: 40 32.209 2.127 0.617 0.595 0.949 0.564 CB 1.443 40 residues pruned to eliminate duplicates Z: 63 48.365 2.224 0.658 0.583 0.984 0.661 CB 1.563 63 residues pruned to eliminate duplicates Z: 59 46.565 2.227 0.662 0.558 0.966 0.586 CB 1.617 59 residues pruned to eliminate duplicates Z: 59 46.665 2.256 0.586 0.581 0.966 0.724 CB 1.641 59 residues pruned to eliminate duplicates Z: 61 41.581 2.220 0.482 0.562 0.983 0.667 CB 1.562 61 residues pruned to eliminate duplicates Z: 50 46.990 2.280 0.698 0.558 0.980 0.633 CB 1.673 50 residues pruned to eliminate duplicates Z: 24 28.907 2.359 0.545 0.423 1.000 0.522 CB 1.793 24 residues pruned to eliminate duplicates Z: 59 42.595 2.232 0.616 0.521 0.948 0.500 CB 1.601 59 residues pruned to eliminate duplicates Z: 21 24.952 2.346 0.507 0.454 0.950 0.700 CB 1.741 22 residues pruned to eliminate duplicates Z: 7 7.680 2.003 0.826 0.571 0.833 0.333 CA 0.961 Z: 6 4.598 1.796 0.790 0.387 0.600 0.200 CB 1.202 Z: 6 8.509 1.742 1.317 0.298 1.000 0.600 C 1.181 5 residues pruned to eliminate duplicates Z: 6 6.301 1.447 1.390 0.489 0.800 0.400 N 1.029 13 residues pruned to eliminate duplicates Z: 22 35.908 2.400 0.755 0.485 1.000 0.714 CB 1.888 22 residues pruned to eliminate duplicates Z: 59 46.115 2.210 0.675 0.581 0.966 0.672 CB 1.567 65 residues pruned to eliminate duplicates Z: 6 2.943 1.527 0.707 0.242 0.800 0.600 CA 0.851 441 residues left after pruning, divided into chains as follows: A: 22 B: 253 C: 25 D: 20 E: 121 CC for partial structure against native data = 45.48 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.505, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.584, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.709, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.729, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.747, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.754, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.762, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.766, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.769, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.771, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2340 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 540 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 37.836 2.447 0.706 0.522 1.000 0.625 CB 1.809 B: 27 37.269 2.361 0.834 0.469 0.962 0.654 CA 1.811 27 residues pruned to eliminate duplicates C: 15 14.021 1.975 0.767 0.606 0.929 0.571 CB 1.045 D: 19 34.643 2.268 0.646 0.852 0.944 0.722 CB 1.713 E: 35 29.913 2.340 0.633 0.423 0.882 0.618 CB 1.649 F: 25 35.551 2.431 0.815 0.470 0.958 0.583 CB 1.769 26 residues pruned to eliminate duplicates G: 18 35.821 2.319 0.550 0.895 1.000 0.706 CB 1.732 19 residues pruned to eliminate duplicates H: 27 32.829 2.323 0.754 0.454 1.000 0.577 CB 1.656 25 residues pruned to eliminate duplicates I: 19 32.634 2.317 0.403 0.918 1.000 0.889 CB 1.669 4 residues pruned to eliminate duplicates J: 19 31.242 2.276 0.550 0.895 0.889 0.778 CB 1.684 19 residues pruned to eliminate duplicates K: 20 34.767 2.321 0.525 0.857 1.000 0.737 CB 1.660 20 residues pruned to eliminate duplicates L: 24 24.166 2.153 0.517 0.730 0.826 0.565 CB 1.519 24 residues pruned to eliminate duplicates M: 25 43.103 2.304 0.826 0.936 0.958 0.917 CB 1.520 N: 67 40.363 2.194 0.654 0.492 0.909 0.576 CB 1.518 25 residues pruned to eliminate duplicates O: 22 32.190 2.387 0.277 0.953 1.000 0.952 CB 1.586 P: 45 37.187 2.212 0.619 0.572 0.932 0.659 CB 1.567 Q: 17 41.732 2.414 0.966 0.934 0.938 0.688 CB 1.635 17 residues pruned to eliminate duplicates R: 94 67.369 2.350 0.803 0.609 0.935 0.613 CB 1.590 71 residues pruned to eliminate duplicates S: 9 23.713 2.150 0.550 0.911 1.000 1.000 CB 1.782 T: 13 26.430 2.535 0.835 0.526 0.833 0.750 CB 1.919 13 residues pruned to eliminate duplicates U: 33 23.399 2.314 0.715 0.381 0.781 0.531 CB 1.515 33 residues pruned to eliminate duplicates V: 60 38.669 2.176 0.600 0.524 0.932 0.542 CB 1.515 43 residues pruned to eliminate duplicates W: 15 39.781 2.458 0.953 0.933 0.929 0.429 CB 1.664 14 residues pruned to eliminate duplicates X: 18 31.106 2.318 0.429 0.890 1.000 0.765 CB 1.638 18 residues pruned to eliminate duplicates Y: 119 56.296 2.190 0.900 0.506 0.856 0.466 CB 1.446 105 residues pruned to eliminate duplicates Z: 9 20.197 2.185 0.471 0.902 1.000 0.750 CB 1.584 9 residues pruned to eliminate duplicates Z: 27 41.847 2.162 0.819 0.929 0.962 0.846 CB 1.519 26 residues pruned to eliminate duplicates Z: 24 40.080 2.193 0.665 0.929 1.000 0.826 CB 1.602 Z: 10 16.466 2.156 0.357 0.880 0.889 0.667 CB 1.529 10 residues pruned to eliminate duplicates Z: 19 31.235 2.286 0.507 0.859 0.944 0.667 CB 1.666 19 residues pruned to eliminate duplicates Z: 25 48.128 2.342 1.073 0.952 0.917 0.458 CB 1.521 25 residues pruned to eliminate duplicates Z: 46 28.494 2.098 0.547 0.539 0.911 0.511 CB 1.382 46 residues pruned to eliminate duplicates Z: 26 34.188 2.368 0.861 0.449 0.880 0.680 CB 1.858 26 residues pruned to eliminate duplicates Z: 19 30.401 2.256 0.341 0.909 1.000 0.833 CB 1.681 19 residues pruned to eliminate duplicates Z: 12 27.224 2.490 0.871 0.543 0.909 0.727 CA 1.859 12 residues pruned to eliminate duplicates Z: 40 30.570 2.133 0.543 0.498 0.974 0.590 CB 1.529 40 residues pruned to eliminate duplicates Z: 18 21.984 2.216 0.348 0.903 0.882 0.824 CB 1.442 18 residues pruned to eliminate duplicates Z: 26 37.082 2.409 0.807 0.445 1.000 0.680 CB 1.804 26 residues pruned to eliminate duplicates Z: 26 40.213 2.227 0.817 0.915 0.920 0.680 CB 1.527 26 residues pruned to eliminate duplicates Z: 7 14.952 2.119 0.378 0.911 1.000 1.000 CB 1.481 7 residues pruned to eliminate duplicates Z: 25 41.662 2.348 0.734 0.947 0.917 0.792 CB 1.575 25 residues pruned to eliminate duplicates Z: 24 37.709 2.213 0.610 0.955 0.957 0.826 CB 1.586 24 residues pruned to eliminate duplicates Z: 51 36.990 2.099 0.829 0.524 0.920 0.560 CB 1.446 9 residues pruned to eliminate duplicates Z: 24 35.584 2.163 0.640 0.923 0.957 0.870 CB 1.537 24 residues pruned to eliminate duplicates Z: 10 22.382 2.106 0.820 0.880 0.889 0.444 CB 1.586 10 residues pruned to eliminate duplicates Z: 26 31.932 2.181 0.486 0.926 1.000 0.840 CB 1.382 26 residues pruned to eliminate duplicates Z: 25 42.354 2.234 0.694 0.936 0.958 0.750 CB 1.661 25 residues pruned to eliminate duplicates Z: 24 50.398 2.335 0.979 0.953 1.000 0.696 CB 1.565 24 residues pruned to eliminate duplicates Z: 14 15.873 2.051 0.821 0.537 0.846 0.692 CB 1.344 13 residues pruned to eliminate duplicates Z: 27 24.754 1.995 0.820 0.562 0.923 0.731 CB 1.364 15 residues pruned to eliminate duplicates Z: 22 45.884 2.341 0.914 0.936 0.952 0.381 CB 1.634 22 residues pruned to eliminate duplicates Z: 14 25.037 2.300 0.581 0.937 1.000 0.923 CB 1.328 14 residues pruned to eliminate duplicates Z: 81 59.900 2.289 0.812 0.643 0.925 0.525 CB 1.527 81 residues pruned to eliminate duplicates Z: 24 39.996 2.202 0.791 0.914 0.957 0.739 CB 1.564 24 residues pruned to eliminate duplicates Z: 25 40.607 2.310 0.673 0.947 0.958 0.750 CB 1.546 25 residues pruned to eliminate duplicates Z: 16 18.062 2.126 0.834 0.502 0.933 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 12 24.913 2.240 0.967 0.579 1.000 1.000 CB 1.579 12 residues pruned to eliminate duplicates Z: 85 56.994 2.243 0.864 0.550 0.917 0.536 CB 1.545 26 residues pruned to eliminate duplicates Z: 22 27.625 2.362 0.740 0.493 0.952 0.667 CB 1.550 22 residues pruned to eliminate duplicates Z: 10 23.268 2.117 0.653 0.902 1.000 0.778 CB 1.581 10 residues pruned to eliminate duplicates Z: 25 26.465 2.274 0.630 0.487 0.917 0.583 CB 1.610 25 residues pruned to eliminate duplicates Z: 55 28.018 2.074 0.579 0.488 0.889 0.500 CB 1.325 20 residues pruned to eliminate duplicates Z: 25 32.482 2.364 0.673 0.501 0.958 0.667 CB 1.748 26 residues pruned to eliminate duplicates Z: 122 68.748 2.273 0.849 0.580 0.893 0.570 CB 1.542 122 residues pruned to eliminate duplicates Z: 24 40.528 2.343 0.742 0.947 0.957 0.957 CB 1.496 24 residues pruned to eliminate duplicates Z: 25 38.328 2.306 0.697 0.951 0.875 0.625 CB 1.575 25 residues pruned to eliminate duplicates Z: 20 32.618 2.328 0.464 0.865 1.000 0.737 CB 1.608 20 residues pruned to eliminate duplicates Z: 16 36.309 2.370 0.869 0.943 1.000 0.800 CB 1.466 16 residues pruned to eliminate duplicates Z: 18 30.559 2.279 0.429 0.841 0.941 0.882 CA 1.803 18 residues pruned to eliminate duplicates Z: 22 35.820 2.270 0.580 0.947 0.952 0.857 CB 1.582 22 residues pruned to eliminate duplicates Z: 19 28.590 2.263 0.399 0.875 0.944 0.833 CB 1.639 19 residues pruned to eliminate duplicates Z: 45 30.408 2.099 0.820 0.508 0.886 0.500 CB 1.342 45 residues pruned to eliminate duplicates Z: 15 44.668 2.476 1.182 0.948 0.929 0.786 CB 1.643 15 residues pruned to eliminate duplicates Z: 43 24.601 2.044 0.494 0.442 0.952 0.429 CB 1.385 43 residues pruned to eliminate duplicates Z: 38 30.541 2.079 0.845 0.562 0.892 0.541 CB 1.382 38 residues pruned to eliminate duplicates Z: 25 41.794 2.274 0.719 0.963 1.000 0.875 CB 1.492 27 residues pruned to eliminate duplicates Z: 22 31.478 2.242 0.378 0.946 0.952 0.857 CB 1.615 22 residues pruned to eliminate duplicates Z: 18 43.323 2.397 0.949 0.948 0.941 0.706 CB 1.651 18 residues pruned to eliminate duplicates Z: 25 32.140 2.132 0.411 0.945 1.000 0.875 CB 1.510 25 residues pruned to eliminate duplicates Z: 8 9.978 2.080 0.837 0.492 1.000 0.714 CB 0.994 8 residues pruned to eliminate duplicates Z: 97 47.323 2.184 0.643 0.547 0.896 0.562 CB 1.434 97 residues pruned to eliminate duplicates Z: 38 31.371 2.135 0.696 0.506 0.946 0.595 CB 1.496 38 residues pruned to eliminate duplicates Z: 24 50.449 2.352 1.149 0.956 0.957 0.435 CB 1.494 24 residues pruned to eliminate duplicates Z: 9 13.179 2.106 0.482 0.597 1.000 1.000 CB 1.361 9 residues pruned to eliminate duplicates Z: 17 29.573 2.289 0.672 0.833 0.938 0.875 CB 1.545 17 residues pruned to eliminate duplicates Z: 41 28.993 2.086 0.630 0.474 0.975 0.650 CB 1.420 41 residues pruned to eliminate duplicates Z: 10 24.473 2.095 0.805 0.908 1.000 0.778 CA 1.532 10 residues pruned to eliminate duplicates Z: 26 30.438 2.377 0.812 0.467 0.840 0.520 CB 1.739 26 residues pruned to eliminate duplicates Z: 20 31.932 2.327 0.494 0.880 0.947 0.737 CB 1.612 20 residues pruned to eliminate duplicates Z: 34 33.763 2.142 0.755 0.473 1.000 0.606 CB 1.607 34 residues pruned to eliminate duplicates Z: 24 32.424 2.199 0.492 0.933 0.957 0.826 CB 1.503 24 residues pruned to eliminate duplicates Z: 26 43.160 2.233 0.967 0.921 0.960 0.520 CB 1.440 26 residues pruned to eliminate duplicates Z: 9 16.922 2.084 0.684 0.872 0.875 0.750 CB 1.420 9 residues pruned to eliminate duplicates Z: 26 23.054 2.286 0.548 0.411 0.920 0.480 CB 1.555 26 residues pruned to eliminate duplicates Z: 9 19.834 2.005 0.677 0.927 1.000 1.000 CB 1.461 11 residues pruned to eliminate duplicates Z: 34 25.294 2.038 0.681 0.449 0.939 0.606 CB 1.443 34 residues pruned to eliminate duplicates Z: 17 31.149 2.336 0.399 0.925 0.938 0.812 CB 1.784 17 residues pruned to eliminate duplicates Z: 17 19.606 2.150 0.485 0.453 1.000 0.625 CB 1.610 16 residues pruned to eliminate duplicates Z: 24 43.353 2.200 1.002 0.933 0.913 0.435 CB 1.568 24 residues pruned to eliminate duplicates Z: 20 34.831 2.305 0.553 0.866 1.000 0.632 CB 1.635 20 residues pruned to eliminate duplicates Z: 25 46.861 2.294 0.926 0.921 0.917 0.625 CB 1.662 25 residues pruned to eliminate duplicates Z: 6 14.275 1.954 0.560 0.792 1.000 0.400 CA 1.620 6 residues pruned to eliminate duplicates Z: 25 28.442 2.121 0.792 0.882 0.750 0.458 CB 1.474 25 residues pruned to eliminate duplicates Z: 46 28.269 2.024 0.723 0.497 0.867 0.378 CB 1.399 46 residues pruned to eliminate duplicates Z: 24 32.566 2.155 0.487 0.939 0.957 0.870 CB 1.540 24 residues pruned to eliminate duplicates Z: 20 35.038 2.384 0.987 0.468 1.000 0.737 CB 1.753 20 residues pruned to eliminate duplicates Z: 39 24.960 2.018 0.608 0.523 0.947 0.526 CB 1.287 39 residues pruned to eliminate duplicates Z: 18 29.377 2.326 0.914 0.505 0.941 0.647 CB 1.691 18 residues pruned to eliminate duplicates Z: 20 21.101 1.948 0.448 0.847 0.947 0.842 CA 1.345 20 residues pruned to eliminate duplicates Z: 27 26.911 2.224 0.648 0.486 0.923 0.654 CB 1.582 27 residues pruned to eliminate duplicates Z: 18 31.663 2.269 0.823 0.864 0.882 0.824 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 33.325 2.270 0.606 0.887 1.000 0.706 CB 1.599 18 residues pruned to eliminate duplicates Z: 21 46.334 2.256 1.142 0.948 0.950 0.450 CB 1.559 21 residues pruned to eliminate duplicates Z: 18 23.672 2.057 0.540 0.844 0.941 0.824 CA 1.433 18 residues pruned to eliminate duplicates Z: 97 53.126 2.234 0.757 0.568 0.865 0.646 CB 1.496 96 residues pruned to eliminate duplicates Z: 19 52.015 2.390 1.303 0.928 0.944 0.333 CB 1.651 19 residues pruned to eliminate duplicates Z: 25 47.414 2.331 0.961 0.927 0.958 0.667 CB 1.547 25 residues pruned to eliminate duplicates Z: 25 40.005 2.410 0.987 0.551 0.958 0.667 CB 1.693 25 residues pruned to eliminate duplicates Z: 26 45.545 2.236 0.759 0.935 1.000 0.760 CB 1.614 26 residues pruned to eliminate duplicates Z: 10 18.811 2.079 0.435 0.902 1.000 0.778 CB 1.499 10 residues pruned to eliminate duplicates Z: 12 15.300 1.977 0.385 0.806 1.000 0.545 CB 1.290 12 residues pruned to eliminate duplicates Z: 34 32.106 2.093 0.660 0.711 0.970 0.697 CB 1.369 33 residues pruned to eliminate duplicates Z: 26 37.439 2.242 0.626 0.938 0.960 0.720 CB 1.488 26 residues pruned to eliminate duplicates Z: 20 25.818 2.130 0.623 0.835 0.895 0.737 CB 1.435 20 residues pruned to eliminate duplicates Z: 50 33.147 2.126 0.706 0.503 0.898 0.469 CB 1.450 50 residues pruned to eliminate duplicates Z: 25 43.327 2.262 0.895 0.945 0.917 0.667 CB 1.558 25 residues pruned to eliminate duplicates Z: 26 16.321 1.920 0.504 0.451 0.920 0.480 CB 1.291 Z: 19 24.205 2.160 0.447 0.874 0.944 0.667 CB 1.407 19 residues pruned to eliminate duplicates Z: 6 8.886 1.953 0.176 0.863 1.000 1.000 CB 1.269 6 residues pruned to eliminate duplicates Z: 17 35.011 2.330 0.485 0.907 1.000 0.750 CB 1.798 17 residues pruned to eliminate duplicates Z: 11 13.682 1.985 0.625 0.729 1.000 0.700 CB 1.092 11 residues pruned to eliminate duplicates Z: 16 31.900 2.356 0.517 0.890 1.000 0.867 CB 1.657 16 residues pruned to eliminate duplicates Z: 24 43.005 2.229 1.080 0.947 0.913 0.652 CB 1.464 24 residues pruned to eliminate duplicates Z: 50 36.748 2.187 0.485 0.614 0.980 0.714 CB 1.482 50 residues pruned to eliminate duplicates Z: 28 18.848 1.983 0.547 0.561 0.926 0.519 CB 1.203 28 residues pruned to eliminate duplicates Z: 25 35.468 2.161 0.560 0.953 1.000 0.917 CB 1.478 25 residues pruned to eliminate duplicates Z: 24 41.623 2.211 0.781 0.950 0.957 0.652 CB 1.589 24 residues pruned to eliminate duplicates Z: 19 38.378 2.334 0.828 0.903 0.944 0.889 CB 1.599 19 residues pruned to eliminate duplicates Z: 20 34.277 2.195 0.873 0.846 0.947 0.737 CB 1.499 20 residues pruned to eliminate duplicates Z: 20 29.625 2.091 0.625 0.868 1.000 0.632 CA 1.463 20 residues pruned to eliminate duplicates Z: 19 34.529 2.284 0.556 0.877 1.000 0.667 CB 1.662 19 residues pruned to eliminate duplicates Z: 52 26.773 2.030 0.595 0.467 0.882 0.353 CB 1.357 52 residues pruned to eliminate duplicates Z: 31 29.192 2.390 0.776 0.379 0.867 0.533 CB 1.647 31 residues pruned to eliminate duplicates Z: 37 37.702 2.278 0.597 0.707 0.917 0.833 CB 1.561 37 residues pruned to eliminate duplicates Z: 33 16.463 1.826 0.544 0.555 0.875 0.562 CB 1.118 26 residues pruned to eliminate duplicates Z: 25 29.271 2.262 0.731 0.525 0.917 0.708 CB 1.625 25 residues pruned to eliminate duplicates Z: 23 41.078 2.264 0.803 0.959 0.955 0.591 CB 1.540 23 residues pruned to eliminate duplicates Z: 6 7.010 1.936 0.282 0.718 0.800 0.400 CB 1.296 Z: 21 37.324 2.358 0.545 0.944 1.000 0.900 CB 1.586 21 residues pruned to eliminate duplicates Z: 22 18.910 1.965 0.439 0.752 0.905 0.762 CA 1.289 22 residues pruned to eliminate duplicates Z: 9 12.504 1.957 0.309 0.840 1.000 0.750 CB 1.287 9 residues pruned to eliminate duplicates Z: 30 18.862 1.910 0.715 0.473 0.897 0.586 CB 1.225 29 residues pruned to eliminate duplicates Z: 132 61.564 2.209 0.671 0.574 0.908 0.641 CB 1.493 129 residues pruned to eliminate duplicates Z: 19 32.081 2.316 0.517 0.900 0.944 0.778 CB 1.628 19 residues pruned to eliminate duplicates Z: 12 13.116 2.035 0.639 0.539 0.909 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 17 34.097 2.181 0.703 0.947 0.938 0.562 CB 1.691 17 residues pruned to eliminate duplicates Z: 19 31.555 2.192 0.610 0.866 1.000 0.611 CB 1.543 19 residues pruned to eliminate duplicates Z: 7 12.453 1.851 0.518 0.760 1.000 0.333 CA 1.436 7 residues pruned to eliminate duplicates Z: 18 14.673 1.933 0.465 0.504 0.941 0.588 CB 1.330 18 residues pruned to eliminate duplicates Z: 10 15.084 2.073 1.163 0.533 0.889 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 21 12.743 1.986 0.553 0.390 0.800 0.400 CB 1.298 10 residues pruned to eliminate duplicates Z: 24 49.067 2.343 1.160 0.926 0.870 0.435 CB 1.630 24 residues pruned to eliminate duplicates Z: 41 36.681 2.254 0.570 0.651 0.950 0.750 CB 1.499 39 residues pruned to eliminate duplicates Z: 13 11.252 1.895 0.671 0.478 0.750 0.583 CB 1.398 13 residues pruned to eliminate duplicates Z: 25 52.264 2.339 1.042 0.949 1.000 0.583 CB 1.542 25 residues pruned to eliminate duplicates Z: 8 6.738 1.501 0.649 0.597 0.857 0.571 CA 1.094 8 residues pruned to eliminate duplicates Z: 6 5.426 1.848 0.298 0.672 0.800 0.800 CB 1.079 6 residues pruned to eliminate duplicates Z: 25 12.899 1.817 0.486 0.412 0.917 0.583 CB 1.167 25 residues pruned to eliminate duplicates Z: 16 36.844 2.411 0.548 0.919 1.000 0.733 CB 1.796 16 residues pruned to eliminate duplicates Z: 20 31.083 2.259 0.396 0.856 1.000 0.737 CA 1.668 20 residues pruned to eliminate duplicates Z: 19 30.901 2.355 0.437 0.894 0.944 0.667 CB 1.635 19 residues pruned to eliminate duplicates Z: 49 31.939 2.078 0.650 0.489 0.938 0.625 CB 1.451 49 residues pruned to eliminate duplicates Z: 10 22.924 2.143 0.906 0.875 0.889 0.556 CB 1.531 10 residues pruned to eliminate duplicates Z: 20 31.310 2.298 0.614 0.853 0.947 0.474 CB 1.511 20 residues pruned to eliminate duplicates Z: 23 14.562 1.941 0.735 0.309 0.818 0.409 CB 1.393 23 residues pruned to eliminate duplicates Z: 9 6.290 1.819 0.031 0.449 0.875 0.375 C 1.428 Z: 47 31.123 2.038 0.786 0.541 0.935 0.522 CB 1.295 47 residues pruned to eliminate duplicates Z: 25 34.361 2.265 0.402 0.942 1.000 0.917 CB 1.531 25 residues pruned to eliminate duplicates Z: 49 28.715 2.076 0.582 0.509 0.917 0.521 CB 1.364 49 residues pruned to eliminate duplicates Z: 51 31.550 2.117 0.636 0.492 0.940 0.540 CB 1.382 51 residues pruned to eliminate duplicates Z: 24 35.104 2.162 0.480 0.935 1.000 0.870 CB 1.594 24 residues pruned to eliminate duplicates Z: 8 22.514 2.411 0.707 0.692 1.000 0.571 CB 1.735 8 residues pruned to eliminate duplicates Z: 25 54.593 2.289 1.349 0.931 0.958 0.542 CB 1.511 25 residues pruned to eliminate duplicates Z: 27 29.617 2.342 0.757 0.448 0.885 0.615 CB 1.684 27 residues pruned to eliminate duplicates Z: 24 39.174 2.190 0.781 0.939 0.957 0.609 CB 1.521 24 residues pruned to eliminate duplicates Z: 25 50.928 2.318 1.165 0.951 0.958 0.542 CB 1.489 25 residues pruned to eliminate duplicates Z: 6 12.873 1.819 0.981 0.763 1.000 0.400 CA 1.265 6 residues pruned to eliminate duplicates Z: 51 27.366 2.073 0.563 0.462 0.920 0.460 CB 1.350 51 residues pruned to eliminate duplicates Z: 89 43.272 2.202 0.566 0.527 0.886 0.545 CB 1.470 89 residues pruned to eliminate duplicates Z: 37 30.648 2.079 0.409 0.704 0.944 0.833 CB 1.534 37 residues pruned to eliminate duplicates Z: 16 23.941 2.089 0.673 0.859 0.933 0.733 CB 1.395 16 residues pruned to eliminate duplicates Z: 51 29.550 2.089 0.558 0.483 0.900 0.520 CB 1.450 51 residues pruned to eliminate duplicates Z: 58 29.516 2.090 0.624 0.472 0.877 0.509 CB 1.351 58 residues pruned to eliminate duplicates Z: 25 31.091 2.104 0.464 0.949 0.958 0.708 CB 1.484 25 residues pruned to eliminate duplicates Z: 21 25.275 2.162 0.424 0.869 0.950 0.850 CB 1.412 21 residues pruned to eliminate duplicates Z: 39 18.891 1.953 0.510 0.450 0.921 0.474 CB 1.186 39 residues pruned to eliminate duplicates Z: 34 29.715 2.294 0.692 0.386 0.939 0.455 CB 1.601 34 residues pruned to eliminate duplicates Z: 24 48.995 2.352 1.124 0.956 0.957 0.522 CB 1.468 24 residues pruned to eliminate duplicates Z: 19 17.981 2.199 0.193 0.849 0.833 0.444 CB 1.438 19 residues pruned to eliminate duplicates Z: 10 17.585 2.207 0.745 0.574 0.889 0.778 CA 1.595 10 residues pruned to eliminate duplicates Z: 6 7.437 2.055 0.346 0.736 0.600 0.400 CB 1.621 6 residues pruned to eliminate duplicates Z: 25 36.769 2.164 0.566 0.934 1.000 0.875 CB 1.545 25 residues pruned to eliminate duplicates Z: 17 10.832 1.762 0.429 0.480 1.000 0.500 CB 1.097 17 residues pruned to eliminate duplicates Z: 9 14.108 1.981 0.558 0.640 1.000 0.750 CB 1.418 9 residues pruned to eliminate duplicates Z: 44 30.339 2.083 0.724 0.559 0.884 0.465 CB 1.376 44 residues pruned to eliminate duplicates Z: 24 40.499 2.214 0.803 0.943 0.957 0.652 CB 1.532 24 residues pruned to eliminate duplicates Z: 7 9.142 2.077 0.562 0.405 1.000 0.833 CA 1.272 7 residues pruned to eliminate duplicates Z: 20 25.733 2.144 0.570 0.811 0.895 0.579 CB 1.495 20 residues pruned to eliminate duplicates Z: 113 62.068 2.290 0.727 0.550 0.884 0.536 CB 1.598 113 residues pruned to eliminate duplicates Z: 16 15.071 2.071 0.857 0.438 0.867 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 21 22.722 1.942 0.621 0.746 1.000 0.500 CB 1.296 20 residues pruned to eliminate duplicates Z: 20 35.159 2.319 0.655 0.847 1.000 0.526 CB 1.560 20 residues pruned to eliminate duplicates Z: 26 47.647 2.250 0.983 0.935 1.000 0.800 CB 1.489 26 residues pruned to eliminate duplicates Z: 43 36.524 2.230 0.656 0.615 0.905 0.595 CB 1.513 43 residues pruned to eliminate duplicates Z: 64 39.209 2.134 0.511 0.537 0.952 0.698 CB 1.550 64 residues pruned to eliminate duplicates Z: 18 33.659 2.247 0.938 0.956 0.941 0.529 CB 1.369 18 residues pruned to eliminate duplicates Z: 25 35.066 2.251 0.491 0.926 1.000 0.792 CB 1.496 25 residues pruned to eliminate duplicates Z: 44 32.539 2.081 0.522 0.609 0.977 0.628 CB 1.446 44 residues pruned to eliminate duplicates Z: 6 2.452 1.463 0.268 0.613 0.800 0.400 CB 0.664 6 residues pruned to eliminate duplicates Z: 20 20.322 2.097 0.307 0.807 0.895 0.789 CB 1.455 20 residues pruned to eliminate duplicates Z: 9 13.212 1.987 0.542 0.865 0.875 0.750 CB 1.277 9 residues pruned to eliminate duplicates Z: 25 39.919 2.263 0.727 0.904 1.000 0.958 CB 1.485 25 residues pruned to eliminate duplicates Z: 21 19.460 2.079 0.378 0.825 0.850 0.700 CB 1.349 21 residues pruned to eliminate duplicates Z: 11 22.016 2.266 0.752 0.662 1.000 1.000 CB 1.510 11 residues pruned to eliminate duplicates Z: 34 37.490 2.242 0.695 0.644 0.939 0.636 CB 1.599 33 residues pruned to eliminate duplicates Z: 15 10.954 2.126 0.286 0.389 0.857 0.429 CB 1.405 15 residues pruned to eliminate duplicates Z: 17 35.188 2.222 1.055 0.930 0.938 0.438 CB 1.437 17 residues pruned to eliminate duplicates Z: 53 25.857 2.059 0.507 0.514 0.885 0.500 CB 1.287 53 residues pruned to eliminate duplicates Z: 10 27.249 2.104 0.905 0.917 1.000 0.778 CA 1.599 11 residues pruned to eliminate duplicates Z: 90 52.704 2.161 0.648 0.603 0.933 0.573 CB 1.526 83 residues pruned to eliminate duplicates Z: 27 50.167 2.205 1.181 0.915 1.000 0.500 CB 1.446 27 residues pruned to eliminate duplicates Z: 26 50.240 2.219 1.374 0.929 0.880 0.520 CB 1.517 26 residues pruned to eliminate duplicates Z: 10 14.271 1.987 0.451 0.890 0.889 0.778 CA 1.336 10 residues pruned to eliminate duplicates Z: 123 62.367 2.237 0.716 0.573 0.910 0.631 CB 1.506 123 residues pruned to eliminate duplicates Z: 8 12.717 1.981 0.364 0.889 1.000 0.571 CB 1.280 8 residues pruned to eliminate duplicates Z: 17 21.161 2.120 0.476 0.821 0.875 0.812 CA 1.463 17 residues pruned to eliminate duplicates Z: 6 3.733 1.724 -0.108 0.586 0.800 0.600 O 1.250 Z: 19 34.016 2.265 0.604 0.868 1.000 0.611 CB 1.612 19 residues pruned to eliminate duplicates Z: 9 16.916 1.959 0.784 0.712 1.000 1.000 CB 1.412 9 residues pruned to eliminate duplicates Z: 9 18.131 2.138 0.876 0.677 0.875 0.875 CA 1.552 9 residues pruned to eliminate duplicates Z: 42 25.027 2.065 0.638 0.496 0.878 0.512 CB 1.321 42 residues pruned to eliminate duplicates Z: 17 26.548 2.133 0.744 0.782 0.938 0.812 CB 1.484 17 residues pruned to eliminate duplicates Z: 24 42.790 2.196 0.882 0.941 1.000 0.391 CB 1.499 24 residues pruned to eliminate duplicates Z: 40 24.512 2.013 0.612 0.499 0.872 0.487 CB 1.389 40 residues pruned to eliminate duplicates Z: 8 5.472 1.934 0.666 0.213 0.714 0.429 CB 1.261 8 residues pruned to eliminate duplicates Z: 63 48.718 2.278 0.597 0.603 0.968 0.677 CB 1.592 63 residues pruned to eliminate duplicates Z: 27 42.297 2.179 1.030 0.910 0.923 0.462 CB 1.441 27 residues pruned to eliminate duplicates Z: 8 3.821 1.708 -0.334 0.450 1.000 0.571 CB 1.336 8 residues pruned to eliminate duplicates Z: 56 32.995 2.083 0.673 0.553 0.855 0.455 CB 1.419 56 residues pruned to eliminate duplicates Z: 25 49.756 2.269 1.374 0.954 0.917 0.500 CB 1.415 25 residues pruned to eliminate duplicates Z: 15 13.727 2.117 0.358 0.498 0.857 0.643 CB 1.491 15 residues pruned to eliminate duplicates Z: 24 41.904 2.212 0.808 0.940 0.957 0.783 CB 1.587 24 residues pruned to eliminate duplicates Z: 47 27.986 2.046 0.575 0.512 0.913 0.500 CB 1.386 47 residues pruned to eliminate duplicates Z: 25 42.621 2.344 0.555 0.946 1.000 0.917 CA 1.651 25 residues pruned to eliminate duplicates Z: 61 35.117 2.116 0.609 0.564 0.850 0.617 CB 1.472 54 residues pruned to eliminate duplicates Z: 41 40.216 2.252 0.773 0.669 0.925 0.675 CB 1.473 41 residues pruned to eliminate duplicates Z: 23 15.638 1.848 0.507 0.488 0.955 0.500 CB 1.269 23 residues pruned to eliminate duplicates Z: 62 44.717 2.215 0.587 0.584 0.951 0.639 CB 1.581 62 residues pruned to eliminate duplicates Z: 25 33.644 2.301 0.834 0.556 1.000 0.750 CB 1.541 26 residues pruned to eliminate duplicates Z: 26 41.504 2.211 1.233 0.934 0.920 0.400 CB 1.274 26 residues pruned to eliminate duplicates Z: 19 29.032 2.332 0.611 0.516 1.000 0.500 CB 1.793 19 residues pruned to eliminate duplicates Z: 47 42.184 2.209 0.866 0.528 0.957 0.565 CB 1.535 47 residues pruned to eliminate duplicates Z: 11 6.529 1.875 0.442 0.446 0.800 0.600 CB 1.009 Z: 20 32.678 2.310 0.445 0.848 1.000 0.737 CB 1.667 20 residues pruned to eliminate duplicates Z: 24 50.137 2.242 1.170 0.958 0.957 0.609 CB 1.541 24 residues pruned to eliminate duplicates Z: 50 23.770 2.050 0.493 0.433 0.857 0.531 CB 1.388 50 residues pruned to eliminate duplicates Z: 11 9.169 1.895 0.147 0.567 0.900 0.500 N 1.389 Z: 60 48.609 2.258 0.967 0.584 0.847 0.542 CB 1.550 60 residues pruned to eliminate duplicates Z: 6 3.481 1.828 -0.343 0.579 1.000 0.400 O 1.201 Z: 6 4.473 1.818 0.465 0.569 0.800 0.600 CB 0.878 6 residues pruned to eliminate duplicates Z: 47 49.388 2.281 1.161 0.625 0.913 0.457 CB 1.438 47 residues pruned to eliminate duplicates Z: 10 15.130 1.941 0.595 0.704 1.000 0.889 CB 1.353 9 residues pruned to eliminate duplicates Z: 18 10.694 2.097 0.035 0.485 0.882 0.412 CB 1.374 18 residues pruned to eliminate duplicates Z: 26 36.613 2.359 1.056 0.519 0.960 0.680 CB 1.543 26 residues pruned to eliminate duplicates Z: 11 26.092 2.034 0.971 0.898 1.000 0.700 CA 1.471 11 residues pruned to eliminate duplicates Z: 52 29.755 2.101 0.566 0.472 0.902 0.588 CB 1.443 52 residues pruned to eliminate duplicates Z: 16 27.514 2.205 0.496 0.907 1.000 0.867 CA 1.531 16 residues pruned to eliminate duplicates Z: 9 10.634 2.176 0.012 0.805 0.875 0.500 CA 1.495 9 residues pruned to eliminate duplicates Z: 39 20.231 1.948 0.505 0.462 0.868 0.658 CB 1.340 39 residues pruned to eliminate duplicates Z: 52 28.621 2.075 0.602 0.493 0.902 0.431 CB 1.346 52 residues pruned to eliminate duplicates Z: 26 28.746 2.303 0.763 0.490 0.920 0.640 CB 1.554 26 residues pruned to eliminate duplicates Z: 26 24.866 2.229 0.500 0.548 1.000 0.560 CB 1.419 26 residues pruned to eliminate duplicates Z: 20 28.477 2.138 0.615 0.843 0.947 0.789 CB 1.488 20 residues pruned to eliminate duplicates Z: 14 15.271 1.979 0.807 0.409 0.923 0.615 CB 1.411 14 residues pruned to eliminate duplicates Z: 7 8.431 2.003 -0.192 0.794 1.000 1.000 N 1.644 Z: 53 26.531 2.019 0.532 0.501 0.904 0.442 CB 1.315 53 residues pruned to eliminate duplicates Z: 24 46.504 2.203 1.174 0.943 0.957 0.609 CB 1.466 24 residues pruned to eliminate duplicates Z: 63 41.545 2.188 0.478 0.573 0.968 0.597 CB 1.571 63 residues pruned to eliminate duplicates Z: 9 12.317 1.968 0.988 0.441 0.875 0.625 CB 1.352 9 residues pruned to eliminate duplicates Z: 20 32.361 2.289 0.540 0.866 1.000 0.526 CB 1.542 20 residues pruned to eliminate duplicates Z: 13 18.335 2.127 0.924 0.616 0.833 0.583 CB 1.391 13 residues pruned to eliminate duplicates Z: 22 20.798 2.015 0.668 0.668 0.952 0.667 CB 1.214 22 residues pruned to eliminate duplicates Z: 36 34.024 2.261 0.589 0.581 0.914 0.571 CB 1.619 36 residues pruned to eliminate duplicates Z: 28 44.053 2.126 0.912 0.926 0.963 0.593 CB 1.518 28 residues pruned to eliminate duplicates Z: 10 11.703 2.129 0.461 0.419 0.889 0.444 CB 1.536 10 residues pruned to eliminate duplicates Z: 93 51.540 2.232 0.679 0.550 0.902 0.587 CB 1.514 93 residues pruned to eliminate duplicates Z: 24 46.154 2.211 1.083 0.945 0.957 0.435 CB 1.512 24 residues pruned to eliminate duplicates Z: 39 36.841 2.213 0.610 0.633 0.947 0.632 CB 1.563 39 residues pruned to eliminate duplicates Z: 19 22.205 2.134 0.230 0.893 1.000 0.722 CB 1.431 19 residues pruned to eliminate duplicates Z: 24 38.116 2.388 0.809 0.535 1.000 0.565 CB 1.777 25 residues pruned to eliminate duplicates Z: 44 37.637 2.222 0.837 0.647 0.884 0.465 CB 1.387 44 residues pruned to eliminate duplicates Z: 19 29.866 2.229 0.480 0.854 0.944 0.778 CB 1.670 19 residues pruned to eliminate duplicates Z: 51 30.122 1.974 0.650 0.545 0.960 0.500 CB 1.304 182 residues pruned to eliminate duplicates Z: 6 2.420 1.457 0.290 0.363 1.000 0.800 CB 0.668 Z: 10 29.610 2.163 1.022 0.911 1.000 0.778 CB 1.599 10 residues pruned to eliminate duplicates Z: 51 28.090 2.107 0.627 0.475 0.880 0.500 CB 1.351 51 residues pruned to eliminate duplicates Z: 43 22.449 2.060 0.464 0.412 0.905 0.500 CB 1.392 43 residues pruned to eliminate duplicates Z: 87 34.573 1.980 0.614 0.506 0.860 0.593 CB 1.348 87 residues pruned to eliminate duplicates Z: 99 51.316 2.223 0.623 0.568 0.939 0.663 CB 1.433 99 residues pruned to eliminate duplicates Z: 51 41.135 2.135 0.763 0.540 1.000 0.580 CB 1.487 52 residues pruned to eliminate duplicates Z: 24 27.876 2.162 0.311 0.929 0.957 0.870 CB 1.500 24 residues pruned to eliminate duplicates Z: 16 21.654 2.153 0.611 0.567 0.933 0.600 CB 1.619 16 residues pruned to eliminate duplicates Z: 39 20.585 1.946 0.535 0.467 0.895 0.447 CB 1.292 39 residues pruned to eliminate duplicates Z: 56 29.163 2.056 0.591 0.442 0.873 0.527 CB 1.462 56 residues pruned to eliminate duplicates Z: 11 2.516 1.468 0.531 0.289 0.500 0.200 CB 0.897 Z: 9 13.947 1.942 0.566 0.839 0.875 0.750 CB 1.384 9 residues pruned to eliminate duplicates Z: 6 4.188 1.723 0.241 0.690 0.800 0.400 CB 0.920 6 residues pruned to eliminate duplicates Z: 44 21.455 2.058 0.519 0.411 0.884 0.419 CB 1.299 44 residues pruned to eliminate duplicates Z: 11 28.139 2.018 1.069 0.911 1.000 0.700 CA 1.510 11 residues pruned to eliminate duplicates Z: 12 25.945 2.497 0.780 0.571 0.909 0.727 CB 1.808 12 residues pruned to eliminate duplicates Z: 14 8.269 1.684 0.292 0.552 0.846 0.462 CB 1.183 14 residues pruned to eliminate duplicates 7 1.656 1.414 0.465 0.299 0.667 0.500 CB 0.613 ? Z: 8 6.431 1.774 -0.083 0.654 1.000 0.857 C 1.295 Z: 9 3.825 1.520 0.238 0.300 0.750 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 17 32.855 2.096 0.985 0.890 0.938 0.500 CB 1.514 17 residues pruned to eliminate duplicates Z: 46 26.493 2.076 0.517 0.494 0.911 0.622 CB 1.385 46 residues pruned to eliminate duplicates Z: 7 4.570 1.690 0.372 0.488 0.833 0.833 CB 0.977 7 residues pruned to eliminate duplicates Z: 19 25.977 2.246 0.751 0.502 1.000 0.611 CB 1.554 19 residues pruned to eliminate duplicates Z: 33 27.670 2.178 0.562 0.508 0.906 0.594 CB 1.574 Z: 7 4.552 1.615 -0.203 0.812 1.000 0.667 N 1.100 6 residues pruned to eliminate duplicates Z: 24 32.796 2.426 0.576 0.488 1.000 0.652 CB 1.811 24 residues pruned to eliminate duplicates Z: 26 23.137 1.972 0.812 0.606 0.880 0.560 CB 1.331 26 residues pruned to eliminate duplicates Z: 19 32.625 2.268 0.491 0.877 1.000 0.722 CB 1.652 26 residues pruned to eliminate duplicates Z: 47 45.225 2.247 0.906 0.657 0.913 0.435 CB 1.473 47 residues pruned to eliminate duplicates Z: 22 17.604 2.127 0.655 0.410 0.905 0.476 CB 1.326 22 residues pruned to eliminate duplicates Z: 10 12.769 2.060 0.537 0.527 0.889 0.556 CB 1.473 16 residues pruned to eliminate duplicates Z: 18 34.719 2.270 0.507 0.902 1.000 0.824 CB 1.755 18 residues pruned to eliminate duplicates Z: 24 34.193 2.180 0.399 0.941 1.000 1.000 CB 1.623 24 residues pruned to eliminate duplicates Z: 72 31.591 1.989 0.558 0.517 0.873 0.549 CB 1.362 72 residues pruned to eliminate duplicates Z: 41 33.250 2.235 0.527 0.617 0.925 0.525 CB 1.492 26 residues pruned to eliminate duplicates Z: 9 17.410 2.060 0.472 0.876 1.000 1.000 CB 1.475 9 residues pruned to eliminate duplicates Z: 13 21.743 2.246 0.344 0.890 1.000 0.750 CA 1.496 13 residues pruned to eliminate duplicates Z: 8 2.993 1.725 0.546 0.352 0.714 0.571 CB 0.697 Z: 43 29.835 2.257 0.740 0.592 0.810 0.571 CB 1.325 Z: 9 4.996 1.705 -0.031 0.466 0.875 0.750 CB 1.265 8 residues pruned to eliminate duplicates Z: 37 20.860 2.024 0.599 0.411 0.889 0.528 CB 1.327 37 residues pruned to eliminate duplicates Z: 8 15.233 2.255 0.661 0.661 1.000 0.857 CB 1.324 8 residues pruned to eliminate duplicates Z: 32 17.360 1.906 0.472 0.537 0.903 0.516 CB 1.186 32 residues pruned to eliminate duplicates Z: 39 37.500 2.104 0.861 0.656 0.895 0.474 CB 1.503 39 residues pruned to eliminate duplicates Z: 26 10.842 1.861 0.569 0.315 0.800 0.560 CB 1.139 26 residues pruned to eliminate duplicates Z: 81 38.419 2.063 0.579 0.532 0.913 0.625 CB 1.400 81 residues pruned to eliminate duplicates Z: 42 47.857 2.209 1.087 0.687 0.902 0.512 CB 1.514 42 residues pruned to eliminate duplicates Z: 93 47.358 2.149 0.661 0.543 0.902 0.576 CB 1.470 93 residues pruned to eliminate duplicates Z: 6 3.326 1.624 0.134 0.654 0.800 0.600 O 0.874 6 residues pruned to eliminate duplicates Z: 73 46.026 2.207 0.669 0.571 0.917 0.583 CB 1.500 73 residues pruned to eliminate duplicates Z: 45 47.057 2.255 1.058 0.629 0.909 0.432 CB 1.490 45 residues pruned to eliminate duplicates Z: 8 3.552 1.838 -0.210 0.286 0.857 0.286 CB 1.372 6 residues pruned to eliminate duplicates Z: 51 31.360 2.113 0.526 0.580 0.860 0.720 CB 1.481 51 residues pruned to eliminate duplicates Z: 9 3.545 1.599 0.297 0.280 0.750 0.500 CB 1.034 Z: 9 26.203 2.176 0.791 0.899 1.000 0.875 CB 1.700 9 residues pruned to eliminate duplicates Z: 51 29.273 2.110 0.464 0.498 0.940 0.620 CB 1.428 51 residues pruned to eliminate duplicates Z: 13 8.410 1.885 0.674 0.289 0.750 0.500 CB 1.300 13 residues pruned to eliminate duplicates Z: 8 5.593 1.769 0.390 0.317 0.714 0.429 CB 1.473 8 residues pruned to eliminate duplicates Z: 11 11.276 2.072 0.505 0.545 1.000 0.800 CB 1.095 11 residues pruned to eliminate duplicates Z: 43 34.147 2.127 0.664 0.536 0.976 0.405 CB 1.473 43 residues pruned to eliminate duplicates Z: 6 2.544 1.388 0.472 0.545 0.800 0.800 CB 0.666 Z: 35 24.520 2.082 0.522 0.558 0.971 0.500 CB 1.293 35 residues pruned to eliminate duplicates Z: 50 31.804 2.086 0.700 0.528 0.918 0.531 CB 1.357 93 residues pruned to eliminate duplicates Z: 8 7.251 1.842 -0.150 0.821 1.000 0.857 CB 1.325 Z: 9 4.177 1.649 -0.215 0.689 1.000 0.500 CB 0.960 9 residues pruned to eliminate duplicates Z: 14 7.621 1.560 0.513 0.394 0.846 0.615 CB 1.183 Z: 28 18.429 2.032 0.662 0.450 0.889 0.556 CB 1.244 28 residues pruned to eliminate duplicates Z: 11 5.333 1.696 0.436 0.149 0.800 0.500 CB 1.334 Z: 52 28.883 2.084 0.511 0.468 0.961 0.510 CB 1.381 52 residues pruned to eliminate duplicates Z: 6 9.674 2.157 0.406 0.376 1.000 0.600 CB 1.629 6 residues pruned to eliminate duplicates Z: 6 2.723 1.767 -0.193 0.664 0.800 0.600 CB 0.917 6 residues pruned to eliminate duplicates Z: 15 9.701 1.851 0.615 0.418 0.786 0.571 CB 1.203 15 residues pruned to eliminate duplicates Z: 50 41.094 2.292 0.672 0.583 0.918 0.673 CB 1.541 50 residues pruned to eliminate duplicates Z: 28 20.729 2.004 0.601 0.482 0.889 0.481 CB 1.426 28 residues pruned to eliminate duplicates Z: 53 28.837 2.070 0.607 0.487 0.904 0.519 CB 1.348 53 residues pruned to eliminate duplicates Z: 28 17.185 2.032 0.571 0.446 0.852 0.481 CB 1.285 28 residues pruned to eliminate duplicates Z: 18 8.727 1.620 0.451 0.364 0.882 0.588 CB 1.182 17 residues pruned to eliminate duplicates Z: 26 40.287 2.168 1.035 0.892 0.920 0.360 CB 1.425 Z: 7 3.742 1.761 -0.412 0.743 0.833 0.667 O 1.425 7 residues pruned to eliminate duplicates Z: 30 16.116 1.914 0.568 0.383 0.862 0.517 CB 1.311 30 residues pruned to eliminate duplicates Z: 10 3.980 1.754 0.024 0.498 0.667 0.444 CB 1.110 6 residues pruned to eliminate duplicates Z: 40 28.740 2.052 0.660 0.508 0.949 0.436 CB 1.413 40 residues pruned to eliminate duplicates Z: 7 2.610 1.412 0.312 0.331 0.667 0.500 N 1.038 Z: 9 6.413 1.767 0.593 0.221 1.000 0.125 CB 1.118 9 residues pruned to eliminate duplicates Z: 35 27.184 2.221 0.527 0.589 0.882 0.559 CB 1.430 35 residues pruned to eliminate duplicates Z: 11 2.646 1.661 -0.217 0.230 0.700 0.300 CB 1.259 Z: 45 33.133 2.071 0.694 0.525 0.955 0.477 CB 1.455 45 residues pruned to eliminate duplicates Z: 24 32.788 2.236 0.720 0.641 1.000 0.739 CA 1.558 24 residues pruned to eliminate duplicates Z: 34 18.929 1.941 0.527 0.447 0.909 0.545 CB 1.291 34 residues pruned to eliminate duplicates Z: 6 9.624 2.053 0.302 0.736 1.000 0.200 CA 1.303 6 residues pruned to eliminate duplicates Z: 10 12.997 2.043 0.476 0.826 0.778 0.333 CB 1.393 10 residues pruned to eliminate duplicates Z: 58 43.216 2.184 0.772 0.598 0.912 0.702 CB 1.477 58 residues pruned to eliminate duplicates Z: 11 10.184 1.964 0.609 0.385 0.800 0.600 CB 1.439 11 residues pruned to eliminate duplicates Z: 45 25.865 2.010 0.634 0.512 0.886 0.545 CB 1.323 45 residues pruned to eliminate duplicates Z: 99 44.205 2.135 0.608 0.522 0.918 0.612 CB 1.385 99 residues pruned to eliminate duplicates Z: 26 37.392 2.292 0.967 0.510 0.920 0.680 CB 1.785 27 residues pruned to eliminate duplicates Z: 34 33.203 2.241 0.611 0.624 0.909 0.727 CB 1.566 34 residues pruned to eliminate duplicates Z: 46 31.327 2.122 0.656 0.518 0.911 0.622 CB 1.433 46 residues pruned to eliminate duplicates Z: 41 21.366 1.970 0.570 0.450 0.875 0.525 CB 1.314 41 residues pruned to eliminate duplicates Z: 40 19.100 1.927 0.529 0.453 0.872 0.538 CB 1.250 40 residues pruned to eliminate duplicates Z: 19 22.593 2.162 0.425 0.817 0.889 0.444 CB 1.477 19 residues pruned to eliminate duplicates Z: 22 17.392 2.105 0.235 0.687 0.857 0.714 CB 1.435 22 residues pruned to eliminate duplicates Z: 40 21.652 1.982 0.575 0.448 0.923 0.564 CB 1.270 40 residues pruned to eliminate duplicates Z: 7 3.369 1.581 -0.063 0.540 0.833 0.500 CB 1.072 6 residues pruned to eliminate duplicates Z: 6 4.148 1.359 1.143 0.801 1.000 0.800 N 0.490 Z: 15 13.168 1.924 0.526 0.549 0.929 0.714 CB 1.231 15 residues pruned to eliminate duplicates Z: 13 16.157 2.073 0.747 0.413 0.917 0.500 CB 1.538 13 residues pruned to eliminate duplicates Z: 8 4.765 1.615 0.232 0.422 0.857 0.714 CB 1.146 5 residues pruned to eliminate duplicates Z: 23 14.325 2.089 0.615 0.344 0.818 0.682 CB 1.310 23 residues pruned to eliminate duplicates Z: 26 42.302 2.330 0.940 0.786 0.960 0.800 CB 1.516 20 residues pruned to eliminate duplicates Z: 21 26.152 2.179 0.226 0.922 0.950 0.900 CB 1.621 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 51 31.446 2.079 0.640 0.532 0.940 0.620 CB 1.345 51 residues pruned to eliminate duplicates Z: 53 23.717 2.059 0.505 0.450 0.865 0.577 CB 1.292 53 residues pruned to eliminate duplicates Z: 51 29.291 2.100 0.605 0.480 0.880 0.520 CB 1.425 51 residues pruned to eliminate duplicates Z: 53 25.896 2.053 0.501 0.505 0.865 0.481 CB 1.339 53 residues pruned to eliminate duplicates Z: 53 29.960 2.100 0.619 0.480 0.904 0.500 CB 1.379 53 residues pruned to eliminate duplicates Z: 40 22.902 2.063 0.479 0.511 0.897 0.462 CB 1.325 40 residues pruned to eliminate duplicates Z: 84 46.626 2.166 0.680 0.561 0.940 0.566 CB 1.410 84 residues pruned to eliminate duplicates Z: 21 24.824 2.021 0.739 0.681 0.950 0.500 CB 1.408 22 residues pruned to eliminate duplicates Z: 11 26.785 2.145 1.317 0.802 0.900 0.700 CB 1.454 10 residues pruned to eliminate duplicates Z: 12 25.200 2.123 1.180 0.737 0.909 0.364 CB 1.460 12 residues pruned to eliminate duplicates Z: 6 2.947 1.698 0.493 0.281 0.800 0.400 CA 0.833 Z: 6 6.026 1.607 1.160 0.481 1.000 0.200 CA 0.791 6 residues pruned to eliminate duplicates Z: 35 27.933 2.201 0.709 0.432 0.853 0.559 CB 1.601 41 residues pruned to eliminate duplicates Z: 24 31.462 2.343 0.698 0.476 0.957 0.522 CB 1.765 24 residues pruned to eliminate duplicates Z: 62 46.669 2.323 0.666 0.535 0.951 0.656 CB 1.569 103 residues pruned to eliminate duplicates Z: 27 36.941 2.302 0.916 0.513 0.962 0.615 CB 1.686 27 residues pruned to eliminate duplicates Z: 35 24.661 2.171 0.775 0.374 0.824 0.559 CB 1.525 35 residues pruned to eliminate duplicates Z: 24 36.251 2.431 0.880 0.474 0.913 0.696 CB 1.859 24 residues pruned to eliminate duplicates Z: 25 36.244 2.424 0.853 0.509 0.958 0.500 CB 1.704 25 residues pruned to eliminate duplicates Z: 26 39.120 2.395 0.858 0.477 0.960 0.600 CA 1.875 26 residues pruned to eliminate duplicates Z: 26 39.022 2.393 0.885 0.491 0.960 0.600 CA 1.817 26 residues pruned to eliminate duplicates Z: 10 16.245 2.198 0.614 0.618 0.889 0.667 CA 1.536 10 residues pruned to eliminate duplicates Z: 25 42.211 2.424 0.907 0.558 1.000 0.750 CB 1.761 25 residues pruned to eliminate duplicates Z: 74 44.999 2.176 0.700 0.485 0.945 0.658 CB 1.529 51 residues pruned to eliminate duplicates Z: 7 9.283 1.815 0.412 0.720 1.000 0.667 CB 1.212 7 residues pruned to eliminate duplicates Z: 36 21.607 1.993 0.449 0.481 0.943 0.543 CB 1.367 36 residues pruned to eliminate duplicates Z: 41 24.189 2.059 0.381 0.521 0.925 0.550 CB 1.424 41 residues pruned to eliminate duplicates Z: 23 20.028 1.986 0.509 0.643 0.955 0.500 CB 1.306 23 residues pruned to eliminate duplicates Z: 47 26.383 2.003 0.530 0.471 0.935 0.565 CB 1.398 47 residues pruned to eliminate duplicates Z: 38 28.000 2.092 0.532 0.521 0.973 0.649 CB 1.446 38 residues pruned to eliminate duplicates Z: 50 28.456 2.092 0.536 0.501 0.898 0.531 CB 1.408 50 residues pruned to eliminate duplicates Z: 44 21.642 1.975 0.480 0.476 0.860 0.558 CB 1.345 44 residues pruned to eliminate duplicates Z: 41 29.051 2.077 0.624 0.545 0.925 0.625 CB 1.409 41 residues pruned to eliminate duplicates Z: 37 26.446 2.103 0.515 0.542 0.944 0.583 CB 1.405 37 residues pruned to eliminate duplicates Z: 44 32.022 2.138 0.623 0.518 0.953 0.535 CB 1.450 44 residues pruned to eliminate duplicates Z: 42 27.021 2.033 0.530 0.481 0.951 0.561 CB 1.453 42 residues pruned to eliminate duplicates Z: 38 24.431 2.085 0.463 0.478 0.892 0.514 CB 1.510 38 residues pruned to eliminate duplicates Z: 92 46.925 2.210 0.596 0.552 0.912 0.604 CB 1.454 92 residues pruned to eliminate duplicates Z: 39 25.988 2.030 0.593 0.500 0.921 0.658 CB 1.415 39 residues pruned to eliminate duplicates Z: 41 27.904 2.067 0.586 0.532 0.925 0.500 CB 1.410 41 residues pruned to eliminate duplicates Z: 39 28.957 2.070 0.609 0.517 0.974 0.632 CB 1.424 39 residues pruned to eliminate duplicates Z: 52 31.763 2.101 0.667 0.492 0.922 0.608 CB 1.389 52 residues pruned to eliminate duplicates Z: 40 28.109 2.075 0.678 0.540 0.897 0.564 CB 1.384 40 residues pruned to eliminate duplicates Z: 52 29.693 2.077 0.569 0.493 0.961 0.549 CB 1.338 52 residues pruned to eliminate duplicates Z: 59 25.473 2.013 0.557 0.429 0.879 0.500 CB 1.306 59 residues pruned to eliminate duplicates Z: 33 19.048 1.991 0.433 0.411 0.875 0.531 CB 1.481 33 residues pruned to eliminate duplicates Z: 51 29.746 2.079 0.637 0.487 0.920 0.520 CB 1.361 51 residues pruned to eliminate duplicates Z: 45 29.686 2.113 0.637 0.506 0.909 0.500 CB 1.414 45 residues pruned to eliminate duplicates Z: 38 25.707 2.089 0.607 0.532 0.892 0.568 CB 1.368 38 residues pruned to eliminate duplicates Z: 44 28.413 2.004 0.544 0.485 0.977 0.605 CB 1.456 44 residues pruned to eliminate duplicates Z: 46 26.682 2.070 0.555 0.487 0.911 0.489 CB 1.374 46 residues pruned to eliminate duplicates Z: 53 27.693 2.066 0.548 0.475 0.923 0.538 CB 1.333 53 residues pruned to eliminate duplicates Z: 40 26.452 2.048 0.609 0.501 0.949 0.564 CB 1.353 40 residues pruned to eliminate duplicates Z: 49 32.741 2.156 0.554 0.503 0.958 0.521 CB 1.467 49 residues pruned to eliminate duplicates Z: 47 28.262 2.070 0.576 0.474 0.935 0.543 CB 1.403 47 residues pruned to eliminate duplicates Z: 55 29.781 2.118 0.630 0.445 0.907 0.463 CB 1.368 55 residues pruned to eliminate duplicates Z: 47 25.405 2.071 0.562 0.448 0.891 0.543 CB 1.372 47 residues pruned to eliminate duplicates Z: 51 30.539 2.102 0.659 0.477 0.940 0.520 CB 1.348 51 residues pruned to eliminate duplicates Z: 55 29.799 2.083 0.653 0.485 0.889 0.537 CB 1.345 55 residues pruned to eliminate duplicates Z: 50 28.500 2.068 0.613 0.475 0.959 0.469 CB 1.305 50 residues pruned to eliminate duplicates Z: 52 26.062 2.063 0.551 0.446 0.902 0.510 CB 1.337 52 residues pruned to eliminate duplicates Z: 14 11.082 2.141 0.537 0.360 0.769 0.462 CB 1.411 14 residues pruned to eliminate duplicates Z: 21 18.914 2.098 0.747 0.449 0.900 0.450 CB 1.351 21 residues pruned to eliminate duplicates Z: 53 33.258 2.075 0.731 0.509 0.923 0.481 CB 1.379 53 residues pruned to eliminate duplicates Z: 52 28.667 2.122 0.514 0.504 0.902 0.510 CB 1.379 52 residues pruned to eliminate duplicates Z: 149 63.678 2.236 0.656 0.532 0.912 0.588 CB 1.502 149 residues pruned to eliminate duplicates Z: 52 27.578 2.072 0.569 0.480 0.902 0.431 CB 1.343 52 residues pruned to eliminate duplicates Z: 54 38.442 2.266 0.737 0.565 0.849 0.585 CB 1.484 54 residues pruned to eliminate duplicates Z: 29 35.253 2.340 0.956 0.592 0.857 0.679 CB 1.554 29 residues pruned to eliminate duplicates Z: 103 50.061 2.182 0.698 0.560 0.892 0.627 CB 1.415 103 residues pruned to eliminate duplicates Z: 81 51.075 2.194 0.691 0.595 0.963 0.550 CB 1.460 81 residues pruned to eliminate duplicates Z: 133 58.290 2.202 0.637 0.552 0.886 0.667 CB 1.509 133 residues pruned to eliminate duplicates Z: 83 51.957 2.246 0.662 0.616 0.890 0.622 CB 1.547 83 residues pruned to eliminate duplicates Z: 32 41.525 2.324 0.794 0.741 0.935 0.742 CB 1.541 32 residues pruned to eliminate duplicates Z: 42 44.563 2.288 0.960 0.639 0.878 0.659 CB 1.551 42 residues pruned to eliminate duplicates Z: 50 38.535 2.206 0.834 0.525 0.878 0.673 CB 1.513 50 residues pruned to eliminate duplicates Z: 87 48.271 2.206 0.652 0.585 0.895 0.616 CB 1.470 87 residues pruned to eliminate duplicates Z: 56 35.539 2.211 0.566 0.541 0.891 0.709 CB 1.492 56 residues pruned to eliminate duplicates Z: 56 38.119 2.250 0.736 0.550 0.873 0.636 CB 1.436 56 residues pruned to eliminate duplicates Z: 32 37.598 2.262 0.648 0.752 0.968 0.774 CB 1.494 32 residues pruned to eliminate duplicates Z: 29 40.938 2.231 0.867 0.787 0.929 0.821 CA 1.554 29 residues pruned to eliminate duplicates Z: 45 41.992 2.259 0.789 0.665 0.886 0.705 CB 1.518 45 residues pruned to eliminate duplicates Z: 143 69.577 2.262 0.683 0.560 0.937 0.634 CB 1.545 143 residues pruned to eliminate duplicates Z: 33 39.708 2.318 0.668 0.727 0.938 0.781 CB 1.577 33 residues pruned to eliminate duplicates Z: 20 33.050 2.384 0.979 0.655 0.895 0.632 CB 1.554 20 residues pruned to eliminate duplicates Z: 94 48.767 2.194 0.653 0.538 0.914 0.548 CB 1.470 94 residues pruned to eliminate duplicates Z: 41 43.126 2.349 0.781 0.650 0.875 0.675 CB 1.619 41 residues pruned to eliminate duplicates Z: 168 71.180 2.233 0.726 0.545 0.904 0.551 CB 1.512 168 residues pruned to eliminate duplicates Z: 82 48.341 2.183 0.688 0.593 0.914 0.617 CB 1.460 82 residues pruned to eliminate duplicates Z: 87 58.488 2.299 0.785 0.604 0.895 0.581 CB 1.555 87 residues pruned to eliminate duplicates Z: 100 53.148 2.223 0.758 0.556 0.889 0.576 CB 1.456 100 residues pruned to eliminate duplicates Z: 51 39.050 2.215 0.797 0.555 0.860 0.520 CB 1.529 51 residues pruned to eliminate duplicates Z: 42 38.296 2.204 0.865 0.589 0.878 0.415 CB 1.522 42 residues pruned to eliminate duplicates Z: 83 47.514 2.187 0.723 0.582 0.902 0.500 CB 1.426 83 residues pruned to eliminate duplicates Z: 39 45.499 2.270 1.043 0.644 0.868 0.474 CB 1.602 39 residues pruned to eliminate duplicates Z: 83 49.114 2.183 0.797 0.568 0.878 0.561 CB 1.475 83 residues pruned to eliminate duplicates Z: 123 69.095 2.251 0.789 0.605 0.926 0.566 CB 1.517 123 residues pruned to eliminate duplicates Z: 70 52.392 2.248 0.852 0.590 0.928 0.464 CB 1.499 70 residues pruned to eliminate duplicates Z: 27 49.814 2.311 1.097 0.837 0.923 0.615 CB 1.634 27 residues pruned to eliminate duplicates Z: 37 50.263 2.315 1.112 0.674 0.917 0.472 CB 1.592 37 residues pruned to eliminate duplicates Z: 86 58.320 2.303 0.726 0.614 0.906 0.506 CB 1.577 86 residues pruned to eliminate duplicates Z: 100 58.745 2.221 0.810 0.578 0.929 0.586 CB 1.467 100 residues pruned to eliminate duplicates Z: 51 43.131 2.281 0.882 0.584 0.860 0.440 CB 1.525 51 residues pruned to eliminate duplicates Z: 71 68.631 2.313 0.967 0.698 0.943 0.557 CB 1.596 71 residues pruned to eliminate duplicates Z: 89 57.278 2.256 0.803 0.597 0.943 0.511 CB 1.451 89 residues pruned to eliminate duplicates Z: 57 47.149 2.288 0.920 0.580 0.893 0.482 CB 1.487 57 residues pruned to eliminate duplicates Z: 107 58.576 2.236 0.875 0.537 0.877 0.519 CB 1.491 107 residues pruned to eliminate duplicates Z: 69 45.902 2.253 0.979 0.560 0.838 0.456 CB 1.405 69 residues pruned to eliminate duplicates Z: 51 47.754 2.292 1.049 0.575 0.880 0.480 CB 1.520 51 residues pruned to eliminate duplicates Z: 52 47.504 2.238 1.062 0.580 0.863 0.431 CB 1.548 52 residues pruned to eliminate duplicates Z: 38 47.187 2.313 1.168 0.653 0.838 0.378 CB 1.602 38 residues pruned to eliminate duplicates Z: 99 53.614 2.218 0.784 0.558 0.918 0.551 CB 1.409 99 residues pruned to eliminate duplicates Z: 77 55.286 2.297 0.811 0.630 0.882 0.500 CB 1.531 77 residues pruned to eliminate duplicates Z: 69 56.704 2.259 0.817 0.655 0.926 0.529 CB 1.566 69 residues pruned to eliminate duplicates Z: 63 45.199 2.298 0.784 0.569 0.887 0.532 CB 1.477 63 residues pruned to eliminate duplicates Z: 16 20.011 2.154 0.840 0.577 0.933 0.600 CB 1.297 16 residues pruned to eliminate duplicates Z: 109 67.855 2.338 0.812 0.566 0.898 0.528 CB 1.610 109 residues pruned to eliminate duplicates Z: 45 40.186 2.220 0.646 0.597 0.977 0.659 CB 1.546 45 residues pruned to eliminate duplicates Z: 55 49.335 2.368 0.719 0.561 0.963 0.630 CB 1.614 55 residues pruned to eliminate duplicates Z: 40 36.259 2.246 0.686 0.569 0.923 0.487 CB 1.554 40 residues pruned to eliminate duplicates Z: 68 61.243 2.262 0.966 0.691 0.925 0.597 CB 1.527 68 residues pruned to eliminate duplicates Z: 55 51.670 2.352 0.759 0.551 0.944 0.685 CB 1.713 55 residues pruned to eliminate duplicates Z: 139 66.369 2.241 0.788 0.546 0.899 0.507 CB 1.501 139 residues pruned to eliminate duplicates Z: 131 63.356 2.222 0.785 0.574 0.900 0.508 CB 1.450 131 residues pruned to eliminate duplicates Z: 41 33.595 2.209 0.633 0.553 0.925 0.600 CB 1.512 41 residues pruned to eliminate duplicates Z: 59 53.380 2.333 0.712 0.567 0.966 0.569 CB 1.704 59 residues pruned to eliminate duplicates Z: 90 63.880 2.275 0.942 0.576 0.944 0.461 CB 1.510 90 residues pruned to eliminate duplicates Z: 34 41.053 2.289 0.745 0.689 0.970 0.545 CB 1.552 34 residues pruned to eliminate duplicates Z: 35 35.869 2.274 0.698 0.589 0.882 0.559 CB 1.659 35 residues pruned to eliminate duplicates Z: 29 34.771 2.266 0.631 0.611 0.964 0.643 CA 1.660 29 residues pruned to eliminate duplicates Z: 38 29.487 2.059 0.782 0.535 0.865 0.405 CB 1.476 38 residues pruned to eliminate duplicates Z: 35 35.062 2.202 0.699 0.704 0.941 0.588 CB 1.418 35 residues pruned to eliminate duplicates Z: 34 30.912 2.228 0.543 0.656 0.939 0.424 CB 1.442 34 residues pruned to eliminate duplicates Z: 64 52.810 2.346 0.691 0.575 0.937 0.730 CB 1.666 64 residues pruned to eliminate duplicates Z: 27 34.779 2.297 0.511 0.692 1.000 0.615 CB 1.648 27 residues pruned to eliminate duplicates Z: 59 47.245 2.320 0.665 0.560 0.966 0.603 CB 1.570 59 residues pruned to eliminate duplicates Z: 59 45.409 2.318 0.583 0.560 0.966 0.638 CB 1.588 59 residues pruned to eliminate duplicates Z: 27 35.484 2.260 0.543 0.693 1.000 0.654 CB 1.671 27 residues pruned to eliminate duplicates Z: 35 38.628 2.303 0.644 0.626 0.971 0.588 CB 1.601 35 residues pruned to eliminate duplicates Z: 63 52.294 2.356 0.665 0.582 0.968 0.694 CB 1.617 63 residues pruned to eliminate duplicates Z: 64 42.076 2.245 0.681 0.543 0.921 0.571 CB 1.462 64 residues pruned to eliminate duplicates Z: 41 38.405 2.257 0.651 0.618 0.950 0.625 CB 1.535 41 residues pruned to eliminate duplicates Z: 35 38.440 2.315 0.640 0.610 0.941 0.529 CB 1.662 35 residues pruned to eliminate duplicates Z: 92 58.782 2.229 0.885 0.626 0.901 0.505 CB 1.445 92 residues pruned to eliminate duplicates Z: 132 60.978 2.190 0.762 0.555 0.924 0.496 CB 1.417 132 residues pruned to eliminate duplicates Z: 36 39.303 2.268 0.699 0.616 0.943 0.486 CB 1.638 36 residues pruned to eliminate duplicates Z: 35 15.813 2.127 0.391 0.382 0.824 0.324 CB 1.261 35 residues pruned to eliminate duplicates Z: 69 33.252 2.194 0.556 0.469 0.853 0.485 CB 1.430 69 residues pruned to eliminate duplicates Z: 44 16.267 2.042 0.450 0.357 0.791 0.349 CB 1.237 44 residues pruned to eliminate duplicates Z: 29 16.524 2.191 0.659 0.399 0.786 0.286 CB 1.216 29 residues pruned to eliminate duplicates Z: 63 34.081 2.203 0.604 0.544 0.839 0.500 CB 1.399 63 residues pruned to eliminate duplicates Z: 32 28.689 2.021 0.760 0.594 0.968 0.516 CB 1.368 Z: 6 4.876 1.541 0.612 0.352 1.000 0.200 C 1.030 Z: 6 6.151 1.566 0.890 0.374 0.800 0.600 N 1.329 Z: 6 6.209 1.782 0.681 0.405 1.000 0.600 CA 1.025 5 residues pruned to eliminate duplicates Z: 6 3.086 1.700 -0.158 0.392 1.000 1.000 N 1.080 6 1.757 1.376 0.319 0.206 0.800 0.600 CA 0.766 ? Z: 6 3.744 1.527 0.461 0.342 0.800 0.600 CA 1.114 6 1.711 1.979 -0.063 0.210 0.400 0.400 CA 1.453 ? Z: 9 10.532 1.691 0.701 0.550 1.000 0.375 CA 1.233 9 residues pruned to eliminate duplicates Z: 89 46.349 2.170 0.737 0.534 0.875 0.625 CB 1.449 85 residues pruned to eliminate duplicates Z: 27 28.256 2.149 0.421 0.876 0.962 0.769 CB 1.371 27 residues pruned to eliminate duplicates Z: 57 37.922 2.269 0.707 0.573 0.821 0.625 CB 1.485 58 residues pruned to eliminate duplicates Z: 17 35.545 2.307 1.009 0.928 0.938 0.812 CB 1.432 17 residues pruned to eliminate duplicates Z: 130 64.460 2.238 0.693 0.601 0.915 0.597 CB 1.487 92 residues pruned to eliminate duplicates Z: 26 40.041 2.245 0.730 0.930 0.960 0.680 CB 1.502 26 residues pruned to eliminate duplicates Z: 51 44.479 2.259 0.901 0.571 0.920 0.620 CB 1.486 51 residues pruned to eliminate duplicates Z: 87 58.979 2.285 0.811 0.600 0.907 0.581 CB 1.540 88 residues pruned to eliminate duplicates Z: 49 42.638 2.279 0.921 0.565 0.854 0.458 CB 1.546 49 residues pruned to eliminate duplicates Z: 47 43.177 2.304 0.829 0.597 0.891 0.500 CB 1.545 47 residues pruned to eliminate duplicates Z: 111 63.393 2.320 0.741 0.557 0.891 0.573 CB 1.588 240 residues pruned to eliminate duplicates Z: 48 41.009 2.244 0.882 0.607 0.872 0.404 CB 1.466 Z: 17 46.926 2.442 1.215 0.937 1.000 0.375 CB 1.509 17 residues pruned to eliminate duplicates Z: 31 51.285 2.363 1.133 0.798 0.933 0.467 CB 1.534 42 residues pruned to eliminate duplicates Z: 15 34.592 2.325 0.787 0.948 1.000 0.929 CB 1.537 14 residues pruned to eliminate duplicates Z: 26 45.224 2.249 0.993 0.936 0.920 0.400 CB 1.528 26 residues pruned to eliminate duplicates Z: 44 43.866 2.235 1.049 0.625 0.930 0.419 CB 1.396 39 residues pruned to eliminate duplicates Z: 25 54.936 2.368 1.200 0.945 0.958 0.500 CB 1.554 25 residues pruned to eliminate duplicates Z: 111 67.176 2.319 0.774 0.596 0.900 0.573 CB 1.579 154 residues pruned to eliminate duplicates Z: 90 57.136 2.231 0.907 0.578 0.888 0.449 CB 1.487 Z: 24 43.796 2.345 1.274 0.937 0.870 0.391 CB 1.371 24 residues pruned to eliminate duplicates Z: 54 42.568 2.253 0.897 0.540 0.887 0.453 CB 1.484 50 residues pruned to eliminate duplicates Z: 26 54.301 2.270 1.344 0.934 0.960 0.560 CB 1.483 26 residues pruned to eliminate duplicates Z: 80 61.737 2.314 0.837 0.643 0.937 0.557 CB 1.527 47 residues pruned to eliminate duplicates Z: 27 50.903 2.280 1.242 0.912 0.923 0.500 CB 1.498 27 residues pruned to eliminate duplicates Z: 91 57.704 2.223 0.901 0.587 0.922 0.511 CB 1.435 90 residues pruned to eliminate duplicates Z: 6 11.910 2.045 0.910 0.483 1.000 0.000 CB 1.388 6 residues pruned to eliminate duplicates Z: 95 56.353 2.201 0.851 0.567 0.926 0.532 CB 1.445 95 residues pruned to eliminate duplicates Z: 6 7.150 1.928 0.724 0.653 0.800 0.000 CA 1.042 6 residues pruned to eliminate duplicates Z: 65 43.410 2.251 0.898 0.521 0.828 0.484 CB 1.502 65 residues pruned to eliminate duplicates Z: 46 43.561 2.160 0.988 0.595 0.933 0.400 CB 1.480 46 residues pruned to eliminate duplicates Z: 11 9.457 2.118 0.388 0.279 0.900 0.400 CB 1.450 11 residues pruned to eliminate duplicates Z: 99 58.093 2.222 0.850 0.582 0.918 0.500 CB 1.437 99 residues pruned to eliminate duplicates Z: 88 53.735 2.238 0.759 0.598 0.897 0.540 CB 1.487 86 residues pruned to eliminate duplicates Z: 6 3.212 1.471 0.455 0.391 0.800 0.800 C 0.942 Z: 6 4.347 1.831 -0.077 0.341 1.000 0.800 C 1.369 Z: 6 11.590 2.064 0.741 0.454 1.000 0.600 CB 1.512 12 residues pruned to eliminate duplicates Z: 42 28.897 2.006 0.571 0.542 0.927 0.634 CB 1.484 52 residues pruned to eliminate duplicates Z: 6 6.160 1.499 0.624 0.437 1.000 0.800 O 1.208 6 residues pruned to eliminate duplicates Z: 40 38.432 2.291 0.647 0.628 0.949 0.667 CB 1.524 40 residues pruned to eliminate duplicates Z: 66 50.977 2.274 0.709 0.560 0.954 0.569 CB 1.610 66 residues pruned to eliminate duplicates Z: 37 36.123 2.188 0.700 0.590 0.944 0.750 CB 1.572 37 residues pruned to eliminate duplicates Z: 44 40.957 2.259 0.692 0.623 0.930 0.674 CB 1.563 44 residues pruned to eliminate duplicates Z: 63 45.890 2.332 0.594 0.554 0.935 0.645 CB 1.589 63 residues pruned to eliminate duplicates Z: 35 38.455 2.239 0.720 0.607 0.971 0.647 CB 1.593 35 residues pruned to eliminate duplicates Z: 65 49.727 2.322 0.618 0.563 0.953 0.672 CB 1.633 65 residues pruned to eliminate duplicates Z: 84 46.177 2.230 0.546 0.535 0.952 0.578 CB 1.492 84 residues pruned to eliminate duplicates Z: 39 34.684 2.279 0.584 0.636 0.947 0.684 CB 1.448 39 residues pruned to eliminate duplicates Z: 39 33.102 2.264 0.528 0.629 0.895 0.658 CB 1.537 39 residues pruned to eliminate duplicates Z: 41 36.957 2.202 0.586 0.608 0.900 0.600 CB 1.679 50 residues pruned to eliminate duplicates Z: 43 34.135 2.203 0.569 0.614 0.952 0.619 CB 1.436 43 residues pruned to eliminate duplicates Z: 38 33.974 2.259 0.548 0.654 0.919 0.703 CB 1.506 38 residues pruned to eliminate duplicates Z: 51 39.809 2.298 0.605 0.540 0.900 0.680 CB 1.631 51 residues pruned to eliminate duplicates Z: 40 37.064 2.283 0.681 0.614 0.872 0.692 CB 1.593 40 residues pruned to eliminate duplicates Z: 55 49.298 2.341 0.724 0.561 0.926 0.630 CB 1.692 55 residues pruned to eliminate duplicates Z: 52 39.175 2.197 0.758 0.495 0.941 0.588 CB 1.517 52 residues pruned to eliminate duplicates Z: 63 47.526 2.284 0.644 0.535 0.952 0.694 CB 1.632 63 residues pruned to eliminate duplicates Z: 42 39.816 2.267 0.676 0.625 0.951 0.732 CB 1.530 42 residues pruned to eliminate duplicates Z: 37 38.771 2.260 0.805 0.624 0.917 0.667 CB 1.538 37 residues pruned to eliminate duplicates Z: 41 37.631 2.286 0.484 0.619 0.975 0.600 CB 1.607 41 residues pruned to eliminate duplicates Z: 40 38.910 2.298 0.638 0.606 0.974 0.590 CB 1.536 40 residues pruned to eliminate duplicates Z: 20 26.249 2.359 0.747 0.421 0.895 0.632 CA 1.774 20 residues pruned to eliminate duplicates Z: 146 68.110 2.263 0.769 0.540 0.903 0.531 CB 1.505 146 residues pruned to eliminate duplicates Z: 33 29.151 2.343 0.831 0.410 0.844 0.531 CB 1.565 33 residues pruned to eliminate duplicates Z: 26 39.062 2.431 0.939 0.490 0.880 0.600 CB 1.903 26 residues pruned to eliminate duplicates Z: 46 39.820 2.214 0.762 0.528 0.978 0.533 CB 1.514 46 residues pruned to eliminate duplicates Z: 15 19.655 2.306 0.727 0.471 0.786 0.786 CA 1.728 15 residues pruned to eliminate duplicates Z: 26 31.214 2.336 0.693 0.457 0.960 0.560 CB 1.718 26 residues pruned to eliminate duplicates Z: 26 37.922 2.400 0.850 0.483 0.960 0.600 CA 1.809 26 residues pruned to eliminate duplicates Z: 89 65.355 2.319 0.859 0.615 0.932 0.545 CB 1.555 89 residues pruned to eliminate duplicates Z: 26 24.691 2.342 0.591 0.451 0.840 0.600 CB 1.658 26 residues pruned to eliminate duplicates Z: 27 29.591 2.335 0.716 0.430 0.962 0.577 CB 1.619 27 residues pruned to eliminate duplicates Z: 24 31.676 2.377 0.794 0.450 0.957 0.565 CB 1.704 24 residues pruned to eliminate duplicates Z: 52 34.127 2.118 0.771 0.481 0.922 0.451 CB 1.410 52 residues pruned to eliminate duplicates Z: 23 31.304 2.418 0.747 0.458 0.955 0.455 CB 1.728 23 residues pruned to eliminate duplicates Z: 24 35.343 2.484 0.688 0.502 1.000 0.609 CB 1.754 24 residues pruned to eliminate duplicates Z: 52 34.315 2.100 0.725 0.492 0.922 0.529 CB 1.451 52 residues pruned to eliminate duplicates Z: 29 32.256 2.337 0.829 0.429 0.893 0.607 CB 1.720 28 residues pruned to eliminate duplicates Z: 7 4.221 1.560 0.843 0.255 0.833 0.167 CB 0.953 7 residues pruned to eliminate duplicates Z: 14 22.913 2.188 0.850 0.434 1.000 0.538 CB 1.681 14 residues pruned to eliminate duplicates Z: 25 38.214 2.392 0.887 0.516 0.958 0.583 CB 1.775 25 residues pruned to eliminate duplicates Z: 25 38.029 2.346 0.918 0.506 0.958 0.625 CB 1.789 25 residues pruned to eliminate duplicates Z: 38 20.087 1.953 0.525 0.456 0.892 0.541 CB 1.301 38 residues pruned to eliminate duplicates Z: 82 32.937 2.044 0.474 0.511 0.877 0.580 CB 1.371 82 residues pruned to eliminate duplicates Z: 35 16.586 1.936 0.431 0.442 0.882 0.382 CB 1.235 35 residues pruned to eliminate duplicates Z: 41 21.477 1.975 0.575 0.449 0.900 0.550 CB 1.279 41 residues pruned to eliminate duplicates Z: 37 21.909 2.005 0.576 0.450 0.944 0.556 CB 1.288 37 residues pruned to eliminate duplicates Z: 34 20.680 1.953 0.659 0.461 0.909 0.606 CB 1.272 34 residues pruned to eliminate duplicates Z: 19 14.257 1.910 0.562 0.452 0.889 0.611 CB 1.331 19 residues pruned to eliminate duplicates Z: 42 19.686 1.923 0.603 0.444 0.854 0.488 CB 1.238 42 residues pruned to eliminate duplicates Z: 40 20.771 1.980 0.553 0.443 0.872 0.538 CB 1.315 40 residues pruned to eliminate duplicates Z: 21 13.669 1.856 0.466 0.459 0.900 0.550 CB 1.301 21 residues pruned to eliminate duplicates Z: 35 18.281 1.906 0.476 0.447 0.912 0.529 CB 1.290 35 residues pruned to eliminate duplicates Z: 42 21.394 1.940 0.598 0.418 0.902 0.512 CB 1.301 42 residues pruned to eliminate duplicates Z: 40 20.306 1.953 0.537 0.426 0.897 0.513 CB 1.304 40 residues pruned to eliminate duplicates Z: 21 13.009 1.859 0.440 0.413 0.900 0.500 CB 1.322 21 residues pruned to eliminate duplicates Z: 20 13.282 1.927 0.528 0.455 0.895 0.579 CB 1.211 20 residues pruned to eliminate duplicates Z: 41 21.393 1.945 0.607 0.430 0.900 0.475 CB 1.293 41 residues pruned to eliminate duplicates Z: 39 21.229 1.958 0.517 0.446 0.947 0.474 CB 1.294 39 residues pruned to eliminate duplicates Z: 39 20.496 1.987 0.550 0.418 0.895 0.421 CB 1.314 39 residues pruned to eliminate duplicates Z: 11 6.061 1.756 0.462 0.245 0.800 0.600 CB 1.252 11 residues pruned to eliminate duplicates Z: 49 36.292 2.119 0.717 0.573 0.896 0.458 CB 1.497 49 residues pruned to eliminate duplicates Z: 47 37.676 2.147 0.824 0.591 0.848 0.543 CB 1.533 47 residues pruned to eliminate duplicates Z: 46 40.083 2.175 0.798 0.615 0.889 0.622 CB 1.542 46 residues pruned to eliminate duplicates Z: 44 37.078 2.081 0.925 0.628 0.884 0.512 CB 1.416 44 residues pruned to eliminate duplicates Z: 29 20.859 2.083 0.426 0.527 0.893 0.571 CB 1.447 29 residues pruned to eliminate duplicates Z: 81 45.271 2.100 0.728 0.606 0.913 0.475 CB 1.381 81 residues pruned to eliminate duplicates Z: 96 54.292 2.170 0.703 0.591 0.926 0.568 CB 1.491 96 residues pruned to eliminate duplicates Z: 54 34.717 2.129 0.812 0.541 0.887 0.434 CB 1.338 54 residues pruned to eliminate duplicates Z: 45 28.938 2.086 0.528 0.615 0.909 0.614 CB 1.350 45 residues pruned to eliminate duplicates Z: 63 41.473 2.172 0.553 0.564 0.984 0.597 CB 1.491 63 residues pruned to eliminate duplicates Z: 62 43.944 2.219 0.548 0.575 0.967 0.656 CB 1.576 62 residues pruned to eliminate duplicates Z: 64 41.613 2.201 0.514 0.567 0.968 0.587 CB 1.523 64 residues pruned to eliminate duplicates Z: 63 45.115 2.197 0.598 0.593 0.968 0.758 CB 1.544 63 residues pruned to eliminate duplicates Z: 62 45.874 2.212 0.603 0.605 0.967 0.705 CB 1.551 62 residues pruned to eliminate duplicates Z: 63 41.602 2.199 0.531 0.575 0.968 0.694 CB 1.508 63 residues pruned to eliminate duplicates Z: 63 45.605 2.204 0.599 0.590 0.968 0.661 CB 1.558 63 residues pruned to eliminate duplicates Z: 50 39.795 2.239 0.530 0.595 0.959 0.673 CB 1.580 50 residues pruned to eliminate duplicates Z: 61 42.002 2.215 0.600 0.554 0.950 0.633 CB 1.527 61 residues pruned to eliminate duplicates Z: 44 30.447 2.115 0.498 0.599 0.930 0.698 CB 1.434 44 residues pruned to eliminate duplicates Z: 62 46.140 2.246 0.601 0.572 0.984 0.721 CB 1.559 62 residues pruned to eliminate duplicates Z: 64 44.647 2.194 0.642 0.576 0.984 0.683 CB 1.474 64 residues pruned to eliminate duplicates Z: 62 46.771 2.228 0.612 0.599 0.967 0.672 CB 1.568 62 residues pruned to eliminate duplicates Z: 33 29.276 2.096 0.641 0.677 0.875 0.656 CA 1.461 33 residues pruned to eliminate duplicates Z: 37 32.411 2.101 0.788 0.652 0.917 0.667 CB 1.362 37 residues pruned to eliminate duplicates Z: 60 42.004 2.220 0.594 0.557 0.966 0.627 CB 1.514 60 residues pruned to eliminate duplicates Z: 42 35.969 2.265 0.533 0.589 0.902 0.659 CB 1.646 42 residues pruned to eliminate duplicates Z: 61 44.009 2.213 0.620 0.595 0.967 0.683 CB 1.497 61 residues pruned to eliminate duplicates Z: 59 44.887 2.247 0.612 0.585 0.948 0.672 CB 1.581 59 residues pruned to eliminate duplicates Z: 63 44.899 2.219 0.619 0.555 0.968 0.597 CB 1.554 63 residues pruned to eliminate duplicates Z: 61 42.038 2.209 0.551 0.594 0.950 0.667 CB 1.524 61 residues pruned to eliminate duplicates Z: 46 43.133 2.212 0.708 0.612 0.978 0.667 CB 1.566 46 residues pruned to eliminate duplicates Z: 24 24.999 2.089 0.570 0.720 0.913 0.696 CA 1.427 24 residues pruned to eliminate duplicates Z: 60 43.364 2.236 0.605 0.555 0.966 0.644 CB 1.544 60 residues pruned to eliminate duplicates Z: 64 40.227 2.188 0.488 0.548 0.968 0.683 CB 1.533 64 residues pruned to eliminate duplicates Z: 46 41.496 2.226 0.649 0.600 0.978 0.667 CB 1.567 46 residues pruned to eliminate duplicates Z: 109 57.614 2.179 0.740 0.571 0.926 0.583 CB 1.474 108 residues pruned to eliminate duplicates Z: 20 25.656 2.117 0.601 0.777 0.947 0.737 CB 1.435 20 residues pruned to eliminate duplicates Z: 63 47.762 2.220 0.672 0.597 0.984 0.694 CB 1.514 63 residues pruned to eliminate duplicates Z: 6 3.620 1.599 0.372 0.286 1.000 0.600 CB 0.939 6 residues pruned to eliminate duplicates Z: 61 41.059 2.219 0.551 0.563 0.967 0.683 CB 1.498 61 residues pruned to eliminate duplicates Z: 63 43.098 2.215 0.576 0.568 0.984 0.629 CB 1.492 63 residues pruned to eliminate duplicates Z: 59 46.928 2.227 0.705 0.575 0.983 0.586 CB 1.536 60 residues pruned to eliminate duplicates Z: 6 2.524 1.728 0.332 0.347 0.600 0.400 CA 0.965 6 residues pruned to eliminate duplicates Z: 27 28.945 2.227 0.666 0.446 1.000 0.731 CB 1.618 27 residues pruned to eliminate duplicates Z: 22 29.735 2.329 0.706 0.468 1.000 0.667 CB 1.687 22 residues pruned to eliminate duplicates Z: 14 25.790 2.375 1.031 0.501 0.846 0.769 CA 1.751 14 residues pruned to eliminate duplicates Z: 51 33.445 2.129 0.650 0.497 0.940 0.620 CB 1.437 51 residues pruned to eliminate duplicates Z: 25 24.730 2.281 0.539 0.429 0.917 0.583 CB 1.689 25 residues pruned to eliminate duplicates Z: 27 29.626 2.257 0.597 0.497 0.962 0.692 CB 1.683 27 residues pruned to eliminate duplicates Z: 23 29.116 2.323 0.612 0.501 1.000 0.636 CB 1.656 23 residues pruned to eliminate duplicates Z: 23 29.941 2.312 0.691 0.520 0.955 0.682 CB 1.676 23 residues pruned to eliminate duplicates Z: 61 40.798 2.209 0.516 0.565 0.967 0.633 CB 1.527 61 residues pruned to eliminate duplicates Z: 50 36.837 2.139 0.693 0.533 0.980 0.531 CB 1.436 50 residues pruned to eliminate duplicates Z: 25 24.349 2.233 0.677 0.489 0.875 0.625 CB 1.535 25 residues pruned to eliminate duplicates Z: 27 28.587 2.250 0.695 0.515 0.923 0.692 CB 1.568 27 residues pruned to eliminate duplicates Z: 36 22.900 2.147 0.508 0.430 0.886 0.543 CB 1.451 36 residues pruned to eliminate duplicates Z: 27 32.770 2.217 0.761 0.551 1.000 0.769 CB 1.566 26 residues pruned to eliminate duplicates Z: 6 5.300 1.657 0.588 0.315 1.000 0.600 CA 1.106 6 residues pruned to eliminate duplicates Z: 26 25.802 2.288 0.634 0.456 0.920 0.720 CB 1.570 26 residues pruned to eliminate duplicates Z: 27 32.106 2.269 0.870 0.460 0.885 0.654 CA 1.747 27 residues pruned to eliminate duplicates Z: 25 32.585 2.275 0.868 0.494 0.958 0.667 CB 1.643 25 residues pruned to eliminate duplicates Z: 27 27.630 2.214 0.833 0.483 0.846 0.615 CB 1.605 27 residues pruned to eliminate duplicates Z: 70 36.630 2.084 0.651 0.499 0.942 0.594 CB 1.361 217 residues pruned to eliminate duplicates Z: 15 14.921 1.846 0.984 0.448 0.857 0.643 CB 1.341 Z: 6 5.049 1.811 0.655 0.332 0.800 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 16 15.641 2.076 0.626 0.429 0.933 0.400 CB 1.380 10 residues pruned to eliminate duplicates Z: 7 5.297 1.679 0.721 0.379 0.833 0.667 CA 1.022 7 residues pruned to eliminate duplicates Z: 34 19.555 1.941 0.653 0.441 0.879 0.485 CB 1.283 21 residues pruned to eliminate duplicates Z: 11 4.953 1.348 0.923 0.337 0.700 0.300 N 1.031 Z: 6 11.681 1.916 1.094 0.448 1.000 0.400 CA 1.373 Z: 28 37.492 2.149 0.633 0.828 0.963 0.778 CB 1.608 6 residues pruned to eliminate duplicates Z: 17 24.785 2.230 0.427 0.805 0.938 0.812 CB 1.592 17 residues pruned to eliminate duplicates Z: 47 37.152 2.143 0.616 0.597 0.935 0.696 CB 1.543 39 residues pruned to eliminate duplicates Z: 23 28.942 2.163 0.353 0.924 1.000 0.818 CB 1.480 23 residues pruned to eliminate duplicates Z: 76 37.583 2.067 0.579 0.552 0.893 0.573 CB 1.415 82 residues pruned to eliminate duplicates Z: 23 37.815 2.250 0.630 0.954 1.000 0.864 CB 1.512 23 residues pruned to eliminate duplicates Z: 45 33.591 2.114 0.664 0.658 0.886 0.659 CB 1.402 35 residues pruned to eliminate duplicates Z: 23 38.071 2.250 0.702 0.933 0.955 0.773 CB 1.550 23 residues pruned to eliminate duplicates Z: 45 40.999 2.173 0.773 0.616 0.932 0.659 CB 1.543 45 residues pruned to eliminate duplicates Z: 56 32.818 2.124 0.614 0.533 0.855 0.545 CB 1.462 57 residues pruned to eliminate duplicates Z: 24 47.169 2.198 0.917 0.948 1.000 0.652 CB 1.613 24 residues pruned to eliminate duplicates Z: 58 38.967 2.129 0.698 0.590 0.895 0.526 CB 1.464 58 residues pruned to eliminate duplicates Z: 142 60.492 2.139 0.614 0.571 0.922 0.645 CB 1.495 84 residues pruned to eliminate duplicates Z: 24 41.746 2.231 0.886 0.948 0.957 0.609 CB 1.493 24 residues pruned to eliminate duplicates Z: 39 37.529 2.138 0.726 0.678 0.921 0.658 CB 1.520 39 residues pruned to eliminate duplicates Z: 47 38.581 2.163 0.768 0.598 0.891 0.413 CB 1.520 47 residues pruned to eliminate duplicates Z: 38 42.015 2.152 0.883 0.695 0.946 0.486 CB 1.509 38 residues pruned to eliminate duplicates Z: 47 40.011 2.150 0.825 0.600 0.913 0.522 CB 1.498 47 residues pruned to eliminate duplicates Z: 47 36.461 2.138 0.798 0.578 0.891 0.478 CB 1.455 47 residues pruned to eliminate duplicates Z: 141 58.169 2.134 0.619 0.549 0.929 0.493 CB 1.461 142 residues pruned to eliminate duplicates Z: 13 24.227 1.973 0.855 0.875 0.917 0.583 CA 1.516 13 residues pruned to eliminate duplicates Z: 38 34.275 2.096 0.890 0.652 0.892 0.432 CB 1.384 38 residues pruned to eliminate duplicates Z: 39 42.159 2.184 0.952 0.648 0.921 0.553 CB 1.518 39 residues pruned to eliminate duplicates Z: 45 41.899 2.194 0.889 0.609 0.909 0.477 CB 1.511 45 residues pruned to eliminate duplicates 442 residues left after pruning, divided into chains as follows: A: 136 B: 117 C: 48 D: 141 CC for partial structure against native data = 46.16 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 4 used as input for final density modification = 0.300, Contrast = 0.514, Connect. = 0.746 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.717, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.736, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.753, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.761, Connect. = 0.803 for dens.mod. cycle 6 = 0.300, Contrast = 0.768, Connect. = 0.804 for dens.mod. cycle 7 = 0.300, Contrast = 0.772, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.806 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.02 - 3.18 - 2.78 - 2.52 - 2.34 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.760 0.782 0.783 0.772 0.762 0.753 0.753 0.740 0.711 0.676 0.905 0.917 0.921 0.906 0.893 0.874 0.871 0.853 0.820 0.781 N 4684 4750 4637 4797 4671 4764 4668 4664 4891 4231 Estimated mean FOM = 0.750 Pseudo-free CC = 76.72 % Best trace (cycle 4 with CC 46.16%) was saved as ./2otm-1.9-parrot-hancs/2otm-1.9-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 5.2 - FFTs and peak-searches 18.3 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1028.7 - Tripeptide search 11468.7 - Chain tracing 0.0 - NCS analysis 29.1 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 18:48:19 Total time: 12551.48 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 210.24 Used memory is bytes: 23188520