++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:02:03 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-noncs/2otm-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.ins Phases from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phi Native data from ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.hkl Listing output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.lst Phases output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phs Poly-Ala trace output to ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: C 1 2 1 Allowed origin shift code: 3 46757 Reflections read from file ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.phi 46757 Reflections read from file ./2otm-1.9-parrot-noncs/2otm-1.9-parrot-noncs.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 = 0.157, Connect. = 0.563 for dens.mod. cycle 1 = 0.300, Contrast = 0.381, Connect. = 0.616 for dens.mod. cycle 2 = 0.300, Contrast = 0.611, Connect. = 0.729 for dens.mod. cycle 3 = 0.300, Contrast = 0.707, Connect. = 0.764 for dens.mod. cycle 4 = 0.300, Contrast = 0.749, Connect. = 0.779 for dens.mod. cycle 5 = 0.300, Contrast = 0.770, Connect. = 0.788 for dens.mod. cycle 6 = 0.300, Contrast = 0.781, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.787, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.791, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.792, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2324 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 544 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 19.281 1.989 0.719 0.637 1.000 0.818 CB 1.495 B: 30 35.533 2.004 0.844 0.852 0.931 0.793 CB 1.418 C: 25 44.768 2.217 1.037 0.920 0.958 0.750 CB 1.487 30 residues pruned to eliminate duplicates D: 18 29.577 2.192 0.603 0.915 0.941 0.765 CB 1.533 E: 17 34.999 2.440 0.971 0.494 1.000 0.688 CB 1.831 F: 19 30.320 2.264 0.446 0.897 1.000 0.722 CB 1.561 G: 18 24.406 2.111 0.593 0.878 1.000 0.706 CB 1.277 17 residues pruned to eliminate duplicates H: 20 27.751 2.244 0.974 0.413 0.947 0.737 CA 1.661 I: 101 44.194 2.088 0.707 0.517 0.910 0.480 CB 1.340 36 residues pruned to eliminate duplicates J: 18 29.227 2.184 0.657 0.888 0.941 0.706 CB 1.499 17 residues pruned to eliminate duplicates K: 9 25.095 2.240 0.840 0.755 1.000 0.750 CA 1.715 9 residues pruned to eliminate duplicates L: 22 33.519 2.179 0.852 0.919 0.952 0.762 CB 1.341 M: 10 15.250 1.928 0.619 0.898 0.889 0.778 CB 1.310 N: 18 32.122 2.159 0.645 0.891 1.000 0.706 CB 1.577 18 residues pruned to eliminate duplicates O: 19 22.437 2.219 0.164 0.913 1.000 0.611 CB 1.449 19 residues pruned to eliminate duplicates P: 65 44.060 2.147 0.793 0.585 0.969 0.641 CB 1.362 68 residues pruned to eliminate duplicates Q: 57 39.883 2.191 0.708 0.571 0.929 0.696 CB 1.432 58 residues pruned to eliminate duplicates R: 19 25.099 2.036 0.565 0.881 0.944 0.833 CB 1.424 S: 25 43.821 2.220 1.018 0.934 0.958 0.875 CB 1.453 22 residues pruned to eliminate duplicates T: 49 30.526 2.021 0.718 0.517 0.938 0.583 CB 1.331 47 residues pruned to eliminate duplicates U: 24 31.584 2.282 0.643 0.526 1.000 0.696 CA 1.712 V: 24 26.456 2.160 0.346 0.930 1.000 0.870 CB 1.327 24 residues pruned to eliminate duplicates W: 18 24.630 2.182 0.605 0.860 0.882 0.588 CB 1.421 18 residues pruned to eliminate duplicates X: 54 47.009 2.206 0.828 0.590 0.943 0.623 CB 1.557 54 residues pruned to eliminate duplicates Y: 28 29.319 2.116 1.091 0.464 0.926 0.556 CB 1.429 27 residues pruned to eliminate duplicates Z: 24 30.372 2.208 0.379 0.914 1.000 0.783 CB 1.471 24 residues pruned to eliminate duplicates Z: 13 32.242 2.441 1.079 0.523 1.000 0.833 CB 1.792 13 residues pruned to eliminate duplicates Z: 13 24.309 2.272 1.052 0.523 0.917 0.500 CB 1.606 13 residues pruned to eliminate duplicates Z: 9 18.420 2.055 0.860 0.889 0.875 0.875 CB 1.402 9 residues pruned to eliminate duplicates Z: 18 23.863 2.130 0.365 0.887 1.000 0.765 CB 1.436 18 residues pruned to eliminate duplicates Z: 24 30.231 2.229 0.858 0.452 0.957 0.522 CB 1.672 21 residues pruned to eliminate duplicates Z: 25 31.369 2.228 0.912 0.515 0.875 0.625 CA 1.692 25 residues pruned to eliminate duplicates Z: 60 42.270 2.129 0.732 0.576 0.949 0.644 CB 1.461 42 residues pruned to eliminate duplicates Z: 21 22.857 2.252 0.679 0.386 0.900 0.550 CB 1.695 21 residues pruned to eliminate duplicates Z: 62 37.836 2.134 0.680 0.547 0.918 0.639 CB 1.405 62 residues pruned to eliminate duplicates Z: 21 18.058 1.988 0.355 0.814 0.850 0.700 CB 1.343 21 residues pruned to eliminate duplicates Z: 21 30.057 2.173 0.913 0.938 0.800 0.450 CB 1.406 21 residues pruned to eliminate duplicates Z: 45 37.058 2.144 0.735 0.687 0.932 0.795 CB 1.358 45 residues pruned to eliminate duplicates Z: 16 34.436 2.236 0.857 0.938 1.000 0.800 CB 1.489 16 residues pruned to eliminate duplicates Z: 10 25.018 1.982 1.050 0.757 1.000 0.778 C 1.633 10 residues pruned to eliminate duplicates Z: 45 39.124 2.236 0.816 0.544 0.932 0.636 CB 1.493 34 residues pruned to eliminate duplicates Z: 43 26.943 1.968 0.657 0.476 0.952 0.500 CB 1.372 43 residues pruned to eliminate duplicates Z: 51 33.898 1.981 0.847 0.507 0.940 0.540 CB 1.384 10 residues pruned to eliminate duplicates Z: 50 34.010 2.040 0.646 0.517 0.980 0.592 CB 1.452 50 residues pruned to eliminate duplicates Z: 21 38.489 2.250 0.781 0.941 1.000 0.900 CB 1.491 21 residues pruned to eliminate duplicates Z: 27 21.433 2.123 0.636 0.412 0.923 0.462 CB 1.438 27 residues pruned to eliminate duplicates Z: 39 28.301 2.018 0.714 0.562 0.947 0.579 CB 1.320 39 residues pruned to eliminate duplicates Z: 25 52.972 2.291 1.323 0.942 0.958 0.583 CB 1.471 25 residues pruned to eliminate duplicates Z: 17 30.953 2.247 0.611 0.903 0.938 0.625 CB 1.625 17 residues pruned to eliminate duplicates Z: 25 29.993 2.213 0.298 0.944 1.000 1.000 CB 1.475 25 residues pruned to eliminate duplicates Z: 9 15.064 1.990 0.582 0.871 0.875 0.625 CB 1.411 9 residues pruned to eliminate duplicates Z: 17 20.763 2.102 0.468 0.944 1.000 0.875 CB 1.165 Z: 18 26.381 2.215 0.569 0.857 0.941 0.647 CB 1.441 18 residues pruned to eliminate duplicates Z: 10 21.942 2.006 0.875 0.862 1.000 0.667 CA 1.428 10 residues pruned to eliminate duplicates Z: 10 18.190 1.988 0.892 0.874 0.889 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 24 36.364 2.241 1.157 0.560 0.913 0.696 CB 1.620 24 residues pruned to eliminate duplicates Z: 14 37.644 2.331 1.280 0.934 0.923 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 24 52.171 2.281 1.215 0.937 1.000 0.870 CB 1.499 24 residues pruned to eliminate duplicates Z: 17 18.036 1.959 0.398 0.841 0.938 0.688 CB 1.309 17 residues pruned to eliminate duplicates Z: 13 29.126 2.313 0.948 0.907 0.917 0.750 CB 1.448 13 residues pruned to eliminate duplicates Z: 48 28.579 2.077 0.766 0.516 0.894 0.574 CB 1.252 42 residues pruned to eliminate duplicates Z: 18 17.966 1.998 0.421 0.878 0.882 0.824 CB 1.262 18 residues pruned to eliminate duplicates Z: 22 44.264 2.268 1.140 0.942 0.952 0.476 CB 1.449 22 residues pruned to eliminate duplicates Z: 6 13.772 1.921 0.647 0.831 1.000 0.800 CB 1.462 Z: 17 23.402 2.162 0.411 0.885 0.938 0.688 CB 1.477 17 residues pruned to eliminate duplicates Z: 10 19.005 1.942 0.780 0.889 1.000 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 10 21.422 1.995 0.945 0.909 1.000 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 24 32.056 2.083 0.745 0.935 0.957 0.913 CB 1.340 17 residues pruned to eliminate duplicates Z: 10 17.833 2.008 0.660 0.915 1.000 0.778 CB 1.260 10 residues pruned to eliminate duplicates Z: 11 15.671 1.830 0.544 0.875 1.000 0.900 CA 1.275 11 residues pruned to eliminate duplicates Z: 64 42.012 2.182 0.689 0.555 0.937 0.603 CB 1.453 64 residues pruned to eliminate duplicates Z: 15 25.886 2.274 0.662 0.947 0.929 0.857 CB 1.362 15 residues pruned to eliminate duplicates Z: 19 43.294 2.324 0.997 0.951 1.000 0.778 CB 1.515 19 residues pruned to eliminate duplicates Z: 9 12.099 2.125 0.258 0.876 0.875 0.500 CB 1.329 9 residues pruned to eliminate duplicates Z: 19 27.226 2.218 0.567 0.879 0.944 0.667 CB 1.418 19 residues pruned to eliminate duplicates Z: 19 30.182 2.145 0.576 0.841 1.000 0.556 CB 1.569 19 residues pruned to eliminate duplicates Z: 59 48.629 2.212 0.852 0.553 0.931 0.569 CB 1.590 51 residues pruned to eliminate duplicates Z: 56 36.116 2.087 0.630 0.552 0.964 0.636 CB 1.412 56 residues pruned to eliminate duplicates Z: 19 26.335 2.235 0.510 0.929 1.000 0.889 CB 1.287 19 residues pruned to eliminate duplicates Z: 35 26.708 1.982 0.722 0.455 0.971 0.588 CB 1.448 35 residues pruned to eliminate duplicates Z: 31 16.950 2.034 0.609 0.304 0.833 0.367 CB 1.411 31 residues pruned to eliminate duplicates Z: 28 28.555 2.125 0.800 0.405 0.963 0.519 CB 1.649 28 residues pruned to eliminate duplicates Z: 64 48.918 2.216 0.892 0.590 0.937 0.635 CB 1.440 63 residues pruned to eliminate duplicates Z: 60 40.453 2.155 0.739 0.557 0.915 0.627 CB 1.454 60 residues pruned to eliminate duplicates Z: 24 24.881 2.054 0.385 0.939 0.957 0.870 CB 1.326 24 residues pruned to eliminate duplicates Z: 24 50.866 2.287 1.218 0.945 1.000 0.739 CB 1.447 25 residues pruned to eliminate duplicates Z: 19 40.246 2.270 1.027 0.920 1.000 0.722 CB 1.452 19 residues pruned to eliminate duplicates Z: 20 25.029 2.172 0.405 0.860 0.947 0.842 CB 1.461 20 residues pruned to eliminate duplicates Z: 24 39.626 2.229 0.768 0.923 1.000 0.870 CB 1.474 23 residues pruned to eliminate duplicates Z: 24 48.296 2.247 1.178 0.933 1.000 0.609 CB 1.437 24 residues pruned to eliminate duplicates Z: 37 33.118 2.114 0.719 0.519 0.972 0.639 CB 1.533 25 residues pruned to eliminate duplicates Z: 16 20.283 2.161 0.685 0.426 0.933 0.667 CA 1.664 16 residues pruned to eliminate duplicates Z: 14 35.609 2.255 1.160 0.933 0.923 0.692 CB 1.533 14 residues pruned to eliminate duplicates Z: 28 26.097 2.163 0.919 0.396 0.852 0.519 CA 1.586 29 residues pruned to eliminate duplicates Z: 17 24.253 2.192 0.381 0.911 1.000 0.812 CB 1.420 17 residues pruned to eliminate duplicates Z: 9 13.851 1.966 0.696 0.720 0.875 0.875 CB 1.376 9 residues pruned to eliminate duplicates Z: 22 28.762 2.012 0.954 0.933 0.952 0.714 CB 1.170 21 residues pruned to eliminate duplicates Z: 28 15.996 1.947 0.696 0.428 0.778 0.556 CB 1.292 Z: 23 44.210 2.296 0.911 0.942 1.000 0.773 CB 1.490 23 residues pruned to eliminate duplicates Z: 24 23.005 2.190 0.748 0.393 0.870 0.565 CA 1.614 24 residues pruned to eliminate duplicates Z: 68 41.674 2.193 0.738 0.555 0.866 0.627 CB 1.463 59 residues pruned to eliminate duplicates Z: 25 38.799 2.219 0.766 0.930 0.958 0.875 CB 1.475 25 residues pruned to eliminate duplicates Z: 19 11.411 1.961 0.716 0.352 0.722 0.500 CB 1.298 19 residues pruned to eliminate duplicates Z: 34 27.300 2.236 0.713 0.466 0.879 0.424 CB 1.462 34 residues pruned to eliminate duplicates Z: 19 28.728 2.181 0.633 0.899 0.944 0.889 CB 1.438 19 residues pruned to eliminate duplicates Z: 8 17.586 2.132 0.653 0.743 1.000 0.714 CA 1.516 8 residues pruned to eliminate duplicates Z: 23 43.712 2.242 1.060 0.941 1.000 0.409 CB 1.400 23 residues pruned to eliminate duplicates Z: 25 48.983 2.239 1.182 0.947 0.958 0.625 CB 1.476 25 residues pruned to eliminate duplicates Z: 23 49.179 2.279 1.204 0.951 1.000 0.727 CB 1.439 23 residues pruned to eliminate duplicates Z: 20 28.033 2.191 0.988 0.480 0.947 0.684 CA 1.590 20 residues pruned to eliminate duplicates Z: 25 25.156 2.019 0.417 0.943 1.000 0.917 CB 1.243 25 residues pruned to eliminate duplicates Z: 25 32.929 2.027 0.912 0.941 0.958 0.708 CB 1.256 25 residues pruned to eliminate duplicates Z: 25 53.921 2.268 1.332 0.949 0.958 0.708 CB 1.499 34 residues pruned to eliminate duplicates Z: 50 27.513 2.026 0.759 0.496 0.857 0.592 CB 1.292 43 residues pruned to eliminate duplicates Z: 16 29.650 2.220 0.969 0.901 0.867 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 24 53.928 2.273 1.349 0.943 1.000 0.652 CB 1.460 24 residues pruned to eliminate duplicates Z: 20 27.317 2.204 0.618 0.860 0.895 0.632 CB 1.445 20 residues pruned to eliminate duplicates Z: 11 13.751 1.931 0.918 0.557 0.800 0.500 CA 1.389 11 residues pruned to eliminate duplicates Z: 24 47.074 2.179 1.424 0.953 0.957 0.478 CB 1.337 24 residues pruned to eliminate duplicates Z: 19 26.129 2.165 0.548 0.856 0.944 0.778 CB 1.435 19 residues pruned to eliminate duplicates Z: 17 18.715 2.177 0.592 0.384 0.938 0.562 CB 1.629 17 residues pruned to eliminate duplicates Z: 16 20.146 2.067 0.319 0.896 1.000 0.867 CB 1.366 16 residues pruned to eliminate duplicates Z: 35 32.971 2.110 0.729 0.673 0.941 0.794 CB 1.404 35 residues pruned to eliminate duplicates Z: 15 22.741 2.097 0.572 0.910 1.000 0.714 CB 1.307 15 residues pruned to eliminate duplicates Z: 20 16.777 2.105 0.712 0.324 0.842 0.526 CA 1.539 20 residues pruned to eliminate duplicates Z: 20 24.077 2.068 0.577 0.792 0.947 0.684 CB 1.384 20 residues pruned to eliminate duplicates Z: 50 38.196 2.197 0.645 0.551 0.959 0.673 CB 1.497 50 residues pruned to eliminate duplicates Z: 39 29.629 2.049 0.773 0.598 0.868 0.658 CB 1.388 39 residues pruned to eliminate duplicates Z: 14 28.581 2.233 1.046 0.922 1.000 0.692 CB 1.219 14 residues pruned to eliminate duplicates Z: 11 12.828 1.794 1.130 0.473 0.800 0.600 CB 1.363 11 residues pruned to eliminate duplicates Z: 22 31.768 2.225 0.665 0.854 0.952 0.810 CB 1.451 22 residues pruned to eliminate duplicates Z: 25 46.182 2.255 1.149 0.954 0.958 0.500 CB 1.396 25 residues pruned to eliminate duplicates Z: 56 48.763 2.218 0.857 0.587 0.945 0.691 CB 1.554 56 residues pruned to eliminate duplicates Z: 7 4.257 2.003 0.371 0.331 0.500 0.333 CB 1.524 7 residues pruned to eliminate duplicates Z: 14 26.331 2.134 0.507 0.900 1.000 0.846 CB 1.623 14 residues pruned to eliminate duplicates Z: 21 22.867 2.089 0.294 0.877 1.000 0.750 CB 1.374 21 residues pruned to eliminate duplicates Z: 18 22.496 2.188 0.438 0.859 0.941 0.706 CB 1.356 18 residues pruned to eliminate duplicates Z: 111 62.203 2.180 0.937 0.579 0.900 0.591 CB 1.447 111 residues pruned to eliminate duplicates Z: 37 33.966 2.175 0.576 0.726 0.944 0.806 CB 1.427 37 residues pruned to eliminate duplicates Z: 10 14.191 1.887 0.688 0.640 0.889 0.778 CA 1.466 10 residues pruned to eliminate duplicates Z: 27 28.966 2.243 0.870 0.638 0.885 0.731 CB 1.345 21 residues pruned to eliminate duplicates Z: 25 47.329 2.239 0.916 0.947 1.000 0.542 CB 1.557 25 residues pruned to eliminate duplicates Z: 42 33.019 2.144 0.711 0.600 0.902 0.659 CB 1.417 42 residues pruned to eliminate duplicates Z: 10 16.322 1.989 0.818 0.660 0.889 0.556 CB 1.459 10 residues pruned to eliminate duplicates Z: 18 30.521 2.191 0.804 0.873 0.941 0.706 CB 1.450 18 residues pruned to eliminate duplicates Z: 56 36.443 2.045 0.703 0.482 0.945 0.582 CB 1.519 56 residues pruned to eliminate duplicates Z: 26 31.158 2.150 0.954 0.519 0.960 0.640 CA 1.516 26 residues pruned to eliminate duplicates Z: 25 57.770 2.272 1.332 0.955 1.000 0.625 CB 1.529 25 residues pruned to eliminate duplicates Z: 21 12.400 1.967 0.732 0.410 0.800 0.650 CB 1.118 21 residues pruned to eliminate duplicates Z: 42 37.116 2.175 0.770 0.655 0.927 0.707 CB 1.407 42 residues pruned to eliminate duplicates Z: 50 38.546 2.010 0.874 0.526 0.980 0.551 CB 1.455 50 residues pruned to eliminate duplicates Z: 20 37.054 2.243 0.833 0.948 0.947 0.684 CB 1.507 20 residues pruned to eliminate duplicates Z: 60 52.504 2.226 0.861 0.592 0.949 0.746 CB 1.591 60 residues pruned to eliminate duplicates Z: 30 15.905 1.702 0.479 0.413 0.966 0.483 CB 1.331 20 residues pruned to eliminate duplicates Z: 25 47.627 2.258 1.069 0.931 0.958 0.417 CB 1.518 25 residues pruned to eliminate duplicates Z: 27 24.038 1.891 0.803 0.602 1.000 0.615 CB 1.255 27 residues pruned to eliminate duplicates Z: 17 22.642 2.072 0.490 0.901 0.938 0.688 CB 1.396 17 residues pruned to eliminate duplicates Z: 24 35.737 2.313 0.790 0.551 1.000 0.739 CA 1.714 24 residues pruned to eliminate duplicates Z: 46 27.928 2.003 0.698 0.494 0.911 0.511 CB 1.351 46 residues pruned to eliminate duplicates Z: 23 29.141 2.086 0.772 0.944 0.955 0.773 CB 1.219 23 residues pruned to eliminate duplicates Z: 18 25.122 2.153 0.358 0.896 1.000 0.706 CB 1.493 18 residues pruned to eliminate duplicates Z: 17 26.495 1.986 0.603 0.931 1.000 0.688 CB 1.453 17 residues pruned to eliminate duplicates Z: 21 46.034 2.258 1.142 0.949 1.000 0.700 CB 1.469 21 residues pruned to eliminate duplicates Z: 29 14.685 1.748 0.631 0.455 0.929 0.500 CB 1.097 28 residues pruned to eliminate duplicates Z: 19 23.974 2.062 0.447 0.916 0.944 0.833 CB 1.417 19 residues pruned to eliminate duplicates Z: 24 40.317 2.264 0.747 0.952 1.000 0.826 CB 1.464 24 residues pruned to eliminate duplicates Z: 24 47.738 2.238 1.337 0.957 0.957 0.435 CB 1.366 24 residues pruned to eliminate duplicates Z: 14 20.556 1.964 1.117 0.586 0.846 0.615 CB 1.492 14 residues pruned to eliminate duplicates Z: 34 24.290 1.958 0.644 0.627 0.909 0.545 CB 1.282 34 residues pruned to eliminate duplicates Z: 62 46.041 2.191 0.695 0.561 0.967 0.672 CB 1.547 62 residues pruned to eliminate duplicates Z: 20 18.815 1.983 0.431 0.830 0.895 0.737 CB 1.278 20 residues pruned to eliminate duplicates Z: 25 25.190 2.075 1.078 0.488 0.917 0.667 CB 1.317 25 residues pruned to eliminate duplicates Z: 6 6.167 1.873 0.249 0.564 1.000 0.600 CB 1.108 6 residues pruned to eliminate duplicates Z: 58 40.478 2.071 0.763 0.567 0.947 0.649 CB 1.453 58 residues pruned to eliminate duplicates Z: 25 26.094 1.981 0.506 0.924 1.000 0.917 CB 1.254 25 residues pruned to eliminate duplicates Z: 23 35.740 2.118 1.056 0.956 0.955 0.636 CB 1.259 24 residues pruned to eliminate duplicates Z: 14 17.798 2.001 0.625 0.562 1.000 0.769 CB 1.429 15 residues pruned to eliminate duplicates Z: 45 27.907 1.988 0.706 0.524 0.886 0.591 CB 1.367 45 residues pruned to eliminate duplicates Z: 10 14.001 1.934 0.442 0.896 1.000 0.667 CB 1.199 10 residues pruned to eliminate duplicates Z: 28 23.457 2.162 0.559 0.411 0.926 0.556 CB 1.588 28 residues pruned to eliminate duplicates Z: 39 26.242 1.970 0.687 0.560 0.947 0.553 CB 1.276 39 residues pruned to eliminate duplicates Z: 48 25.506 1.935 0.746 0.503 0.851 0.574 CB 1.290 48 residues pruned to eliminate duplicates Z: 13 9.403 1.751 0.396 0.462 0.833 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 7 2.272 1.572 -0.176 0.241 0.833 0.333 N 1.158 Z: 26 39.065 2.136 0.878 0.921 0.960 0.720 CB 1.427 26 residues pruned to eliminate duplicates Z: 50 28.062 2.011 0.719 0.456 0.939 0.469 CB 1.293 50 residues pruned to eliminate duplicates Z: 37 17.815 1.864 0.608 0.471 0.861 0.444 CB 1.185 37 residues pruned to eliminate duplicates Z: 48 23.523 1.916 0.640 0.429 0.872 0.468 CB 1.348 48 residues pruned to eliminate duplicates Z: 24 27.637 2.065 0.582 0.948 0.957 0.783 CB 1.274 24 residues pruned to eliminate duplicates Z: 52 27.355 1.999 0.770 0.494 0.863 0.529 CB 1.263 52 residues pruned to eliminate duplicates Z: 26 17.896 1.932 0.605 0.545 0.920 0.600 CB 1.201 26 residues pruned to eliminate duplicates Z: 19 23.898 2.025 0.731 0.810 1.000 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 46 21.001 1.951 0.571 0.450 0.822 0.533 CB 1.307 46 residues pruned to eliminate duplicates Z: 47 29.768 1.967 0.811 0.482 0.957 0.609 CB 1.311 47 residues pruned to eliminate duplicates Z: 50 36.234 2.168 0.643 0.608 0.959 0.653 CB 1.368 50 residues pruned to eliminate duplicates Z: 46 21.252 1.969 0.598 0.423 0.889 0.467 CB 1.228 46 residues pruned to eliminate duplicates Z: 10 9.513 1.907 0.622 0.392 0.778 0.444 CB 1.478 10 residues pruned to eliminate duplicates Z: 25 44.446 2.245 0.831 0.932 1.000 0.750 CB 1.541 25 residues pruned to eliminate duplicates Z: 8 7.032 1.684 1.074 0.301 0.714 0.571 CB 1.329 8 residues pruned to eliminate duplicates Z: 71 37.926 2.042 0.788 0.462 0.929 0.500 CB 1.389 71 residues pruned to eliminate duplicates Z: 19 22.097 2.046 0.474 0.834 0.889 0.611 CB 1.457 19 residues pruned to eliminate duplicates Z: 7 12.595 1.803 0.668 0.836 0.833 0.667 CA 1.537 7 residues pruned to eliminate duplicates Z: 24 33.352 2.094 0.708 0.947 1.000 0.826 CB 1.344 23 residues pruned to eliminate duplicates Z: 119 48.854 2.062 0.666 0.538 0.924 0.576 CB 1.366 111 residues pruned to eliminate duplicates Z: 36 45.628 2.174 1.252 0.716 0.914 0.514 CB 1.417 36 residues pruned to eliminate duplicates Z: 19 32.615 2.146 1.001 0.832 0.944 0.556 CB 1.423 19 residues pruned to eliminate duplicates Z: 9 24.833 2.044 1.057 0.892 1.000 0.875 CB 1.500 9 residues pruned to eliminate duplicates Z: 20 25.020 2.033 0.599 0.850 0.947 0.737 CB 1.380 20 residues pruned to eliminate duplicates Z: 17 25.201 2.166 0.310 0.915 1.000 0.812 CB 1.570 17 residues pruned to eliminate duplicates Z: 23 29.122 2.093 0.760 0.874 0.909 0.591 CB 1.350 23 residues pruned to eliminate duplicates Z: 24 18.028 1.980 1.039 0.332 0.826 0.652 CB 1.354 24 residues pruned to eliminate duplicates Z: 11 14.831 2.010 0.834 0.629 1.000 1.000 CB 1.126 11 residues pruned to eliminate duplicates Z: 43 28.771 2.094 0.706 0.562 0.881 0.548 CB 1.329 43 residues pruned to eliminate duplicates Z: 46 38.798 2.157 0.722 0.603 0.956 0.667 CB 1.477 46 residues pruned to eliminate duplicates Z: 17 34.907 2.248 0.749 0.920 1.000 0.750 CB 1.563 17 residues pruned to eliminate duplicates Z: 26 51.857 2.179 1.247 0.934 1.000 0.560 CB 1.477 26 residues pruned to eliminate duplicates Z: 10 14.490 1.906 0.456 0.899 1.000 0.778 CB 1.244 10 residues pruned to eliminate duplicates Z: 50 24.298 1.974 0.580 0.462 0.898 0.571 CB 1.287 50 residues pruned to eliminate duplicates Z: 24 31.543 2.074 0.726 0.961 1.000 0.739 CB 1.258 24 residues pruned to eliminate duplicates Z: 16 26.840 2.093 0.555 0.918 1.000 0.800 CB 1.502 16 residues pruned to eliminate duplicates Z: 9 7.788 1.971 1.137 0.420 0.750 0.500 CB 0.948 9 residues pruned to eliminate duplicates Z: 8 9.035 2.011 0.756 0.376 0.857 0.429 CB 1.288 8 residues pruned to eliminate duplicates Z: 16 32.536 2.272 0.815 0.919 1.000 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 44 36.439 2.098 0.857 0.643 0.884 0.581 CB 1.412 44 residues pruned to eliminate duplicates Z: 24 35.212 2.099 0.856 0.954 0.957 0.696 CB 1.355 24 residues pruned to eliminate duplicates Z: 51 28.740 2.004 0.685 0.487 0.940 0.540 CB 1.298 51 residues pruned to eliminate duplicates Z: 27 31.864 2.029 0.724 0.875 0.962 0.885 CB 1.351 27 residues pruned to eliminate duplicates Z: 49 30.492 1.995 0.709 0.497 0.917 0.604 CB 1.412 49 residues pruned to eliminate duplicates Z: 36 21.356 1.924 0.649 0.458 0.886 0.486 CB 1.341 36 residues pruned to eliminate duplicates Z: 21 34.894 2.038 1.097 0.942 0.950 0.350 CB 1.333 21 residues pruned to eliminate duplicates Z: 41 35.424 2.083 0.721 0.617 0.950 0.575 CB 1.472 41 residues pruned to eliminate duplicates Z: 18 26.215 2.324 0.727 0.465 0.941 0.706 CA 1.744 18 residues pruned to eliminate duplicates Z: 68 41.519 2.117 0.995 0.546 0.851 0.463 CB 1.349 68 residues pruned to eliminate duplicates Z: 23 21.327 2.016 0.465 0.927 0.955 0.636 CB 1.130 23 residues pruned to eliminate duplicates Z: 39 24.866 1.918 0.579 0.644 0.921 0.684 CB 1.264 39 residues pruned to eliminate duplicates Z: 8 8.901 1.808 0.907 0.430 0.857 0.714 CA 1.224 8 residues pruned to eliminate duplicates Z: 24 12.690 1.865 0.829 0.376 0.739 0.435 CB 1.199 24 residues pruned to eliminate duplicates Z: 7 4.632 1.799 0.617 0.306 0.667 0.333 CB 1.211 Z: 42 27.617 1.987 0.661 0.539 0.951 0.463 CB 1.322 42 residues pruned to eliminate duplicates Z: 23 22.389 2.059 0.774 0.400 0.955 0.591 CA 1.521 23 residues pruned to eliminate duplicates Z: 24 41.966 2.098 1.199 0.952 1.000 0.348 CB 1.306 24 residues pruned to eliminate duplicates Z: 25 47.148 2.211 1.127 0.952 1.000 0.667 CB 1.410 25 residues pruned to eliminate duplicates Z: 6 4.294 1.555 0.054 0.606 0.800 0.600 CB 1.324 Z: 17 11.927 1.997 0.479 0.323 0.875 0.500 CB 1.401 17 residues pruned to eliminate duplicates Z: 46 33.427 2.078 0.773 0.605 0.911 0.800 CB 1.344 48 residues pruned to eliminate duplicates Z: 14 11.265 1.886 0.641 0.364 0.846 0.462 CB 1.381 14 residues pruned to eliminate duplicates Z: 9 13.736 2.013 0.483 0.832 0.875 0.750 CB 1.396 9 residues pruned to eliminate duplicates Z: 29 23.744 2.051 0.663 0.408 0.929 0.607 CB 1.561 29 residues pruned to eliminate duplicates Z: 9 14.561 2.114 0.860 0.653 1.000 1.000 CB 1.135 8 residues pruned to eliminate duplicates Z: 34 28.276 2.058 0.743 0.670 0.879 0.758 CB 1.335 34 residues pruned to eliminate duplicates Z: 21 26.460 2.141 0.714 0.818 0.900 0.650 CB 1.359 21 residues pruned to eliminate duplicates Z: 8 11.239 2.034 0.964 0.591 1.000 0.857 N 0.975 Z: 42 22.351 1.958 0.467 0.557 0.878 0.561 CB 1.310 48 residues pruned to eliminate duplicates Z: 24 38.772 2.248 0.884 0.948 0.957 0.739 CB 1.378 24 residues pruned to eliminate duplicates Z: 35 18.127 1.943 0.600 0.455 0.824 0.471 CB 1.271 35 residues pruned to eliminate duplicates Z: 41 40.901 2.178 0.854 0.679 0.975 0.625 CB 1.393 41 residues pruned to eliminate duplicates Z: 17 27.760 2.222 0.598 0.913 0.938 0.562 CB 1.475 17 residues pruned to eliminate duplicates Z: 27 34.187 2.149 1.044 0.541 0.923 0.654 CA 1.588 27 residues pruned to eliminate duplicates Z: 25 54.186 2.253 1.219 0.943 1.000 0.625 CB 1.532 25 residues pruned to eliminate duplicates Z: 45 48.330 2.212 1.190 0.640 0.909 0.614 CB 1.451 45 residues pruned to eliminate duplicates Z: 28 16.332 1.933 0.664 0.399 0.852 0.519 CB 1.277 28 residues pruned to eliminate duplicates Z: 46 20.335 1.882 0.557 0.446 0.889 0.556 CB 1.229 46 residues pruned to eliminate duplicates Z: 17 30.688 2.221 0.617 0.933 1.000 0.812 CB 1.490 17 residues pruned to eliminate duplicates Z: 24 39.597 2.087 1.080 0.958 1.000 0.609 CB 1.305 24 residues pruned to eliminate duplicates Z: 43 27.235 2.017 0.644 0.515 0.976 0.524 CB 1.280 43 residues pruned to eliminate duplicates Z: 8 8.489 1.832 0.853 0.619 0.857 0.714 CB 0.985 8 residues pruned to eliminate duplicates Z: 38 32.894 2.091 0.708 0.631 0.973 0.622 CB 1.375 38 residues pruned to eliminate duplicates Z: 17 24.207 2.232 0.460 0.910 0.938 0.938 CB 1.406 17 residues pruned to eliminate duplicates Z: 21 19.353 1.833 0.754 0.833 0.900 0.550 CB 1.122 21 residues pruned to eliminate duplicates Z: 21 25.461 2.155 0.960 0.429 0.900 0.550 CA 1.612 21 residues pruned to eliminate duplicates Z: 25 50.410 2.223 1.412 0.940 0.958 0.333 CB 1.391 25 residues pruned to eliminate duplicates Z: 14 10.495 1.807 0.723 0.481 0.846 0.692 CB 1.127 14 residues pruned to eliminate duplicates Z: 13 18.537 2.148 0.786 0.605 0.917 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 13 17.285 2.130 0.913 0.496 0.917 0.583 CB 1.342 13 residues pruned to eliminate duplicates Z: 38 17.595 1.781 0.670 0.504 0.865 0.595 CB 1.120 38 residues pruned to eliminate duplicates Z: 49 28.221 1.951 0.736 0.490 0.938 0.562 CB 1.296 49 residues pruned to eliminate duplicates Z: 17 28.959 2.243 0.567 0.917 1.000 0.750 CB 1.454 17 residues pruned to eliminate duplicates Z: 24 35.706 2.085 0.942 0.955 0.957 0.652 CB 1.321 24 residues pruned to eliminate duplicates Z: 43 33.609 2.162 0.795 0.592 0.905 0.619 CB 1.352 43 residues pruned to eliminate duplicates Z: 12 23.930 2.325 0.633 0.583 1.000 0.818 CA 1.754 12 residues pruned to eliminate duplicates Z: 9 8.641 1.722 0.405 0.610 0.875 0.750 CA 1.301 9 residues pruned to eliminate duplicates Z: 59 43.596 2.130 0.788 0.552 0.914 0.552 CB 1.563 59 residues pruned to eliminate duplicates Z: 8 2.920 1.544 0.630 0.208 0.571 0.571 N 1.084 Z: 10 22.869 1.961 1.029 0.919 1.000 0.889 CB 1.350 10 residues pruned to eliminate duplicates Z: 7 7.190 1.686 0.660 0.545 0.833 0.833 CA 1.205 Z: 25 39.950 2.240 0.808 0.936 1.000 0.792 CB 1.402 25 residues pruned to eliminate duplicates Z: 46 21.761 1.901 0.590 0.454 0.889 0.556 CB 1.265 46 residues pruned to eliminate duplicates Z: 35 36.020 2.149 0.884 0.628 0.941 0.618 CB 1.438 35 residues pruned to eliminate duplicates Z: 45 37.689 2.177 0.801 0.583 0.909 0.705 CB 1.472 45 residues pruned to eliminate duplicates Z: 38 16.008 1.822 0.603 0.444 0.865 0.514 CB 1.104 38 residues pruned to eliminate duplicates Z: 85 48.176 2.142 0.736 0.639 0.917 0.690 CB 1.354 90 residues pruned to eliminate duplicates Z: 20 35.263 2.050 1.021 0.945 0.947 0.368 CB 1.427 20 residues pruned to eliminate duplicates Z: 19 25.822 2.156 0.489 0.871 0.944 0.833 CB 1.464 19 residues pruned to eliminate duplicates Z: 48 21.896 1.890 0.582 0.423 0.915 0.511 CB 1.265 48 residues pruned to eliminate duplicates Z: 39 33.547 2.070 0.631 0.688 0.974 0.658 CB 1.393 40 residues pruned to eliminate duplicates Z: 33 39.197 2.177 0.819 0.689 1.000 0.719 CB 1.472 33 residues pruned to eliminate duplicates Z: 43 17.181 1.725 0.456 0.455 0.929 0.500 CB 1.190 43 residues pruned to eliminate duplicates Z: 26 14.217 1.982 0.523 0.389 0.840 0.560 CB 1.261 26 residues pruned to eliminate duplicates Z: 11 13.853 1.874 1.024 0.576 0.900 0.600 CA 1.193 11 residues pruned to eliminate duplicates Z: 22 21.373 1.787 0.867 0.661 0.905 0.619 CB 1.330 22 residues pruned to eliminate duplicates Z: 21 15.287 1.930 0.554 0.360 0.900 0.600 CA 1.473 21 residues pruned to eliminate duplicates Z: 24 37.418 2.049 1.132 0.950 0.957 0.696 CB 1.288 24 residues pruned to eliminate duplicates Z: 52 30.471 1.990 0.704 0.518 0.941 0.627 CB 1.314 52 residues pruned to eliminate duplicates Z: 36 29.628 2.107 0.670 0.629 0.943 0.714 CB 1.338 36 residues pruned to eliminate duplicates Z: 47 21.813 1.924 0.568 0.477 0.848 0.587 CB 1.287 47 residues pruned to eliminate duplicates Z: 7 5.979 1.497 0.245 0.770 1.000 0.333 CB 1.031 7 residues pruned to eliminate duplicates Z: 11 7.100 1.787 0.739 0.423 0.800 0.600 CB 0.979 11 residues pruned to eliminate duplicates Z: 7 8.318 1.854 0.011 0.659 1.000 0.833 CB 1.562 Z: 24 19.444 1.960 0.208 0.929 1.000 0.957 CB 1.198 24 residues pruned to eliminate duplicates 7 1.900 1.784 -0.326 0.213 1.000 0.333 CB 0.904 ? Z: 8 5.391 1.689 -0.234 0.701 1.000 0.571 CB 1.313 Z: 18 19.927 2.046 0.393 0.911 1.000 0.647 CB 1.201 18 residues pruned to eliminate duplicates Z: 18 20.767 2.176 0.284 0.867 0.941 0.765 CB 1.402 18 residues pruned to eliminate duplicates Z: 11 10.314 1.878 1.006 0.263 0.800 0.500 CA 1.417 11 residues pruned to eliminate duplicates Z: 8 5.880 1.856 -0.124 0.572 0.857 0.429 CB 1.487 7 residues pruned to eliminate duplicates Z: 6 4.044 1.550 0.128 0.867 1.000 0.800 CB 0.757 Z: 9 5.789 1.802 0.122 0.424 0.875 0.500 CB 1.251 6 residues pruned to eliminate duplicates Z: 11 13.981 1.849 0.749 0.794 0.900 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 9 12.355 1.886 0.870 0.721 0.875 0.875 CA 1.159 9 residues pruned to eliminate duplicates Z: 10 18.229 2.059 0.958 0.629 0.889 0.889 CA 1.501 10 residues pruned to eliminate duplicates Z: 10 15.955 1.874 0.512 0.902 1.000 0.889 CB 1.338 10 residues pruned to eliminate duplicates Z: 47 36.903 2.003 1.082 0.588 0.957 0.543 CB 1.254 38 residues pruned to eliminate duplicates Z: 24 44.358 2.234 1.131 0.946 0.957 0.826 CB 1.404 24 residues pruned to eliminate duplicates Z: 39 23.579 1.960 0.615 0.464 0.947 0.553 CB 1.323 39 residues pruned to eliminate duplicates Z: 6 2.754 1.397 0.153 0.478 0.800 0.800 C 0.977 Z: 36 28.871 2.090 0.984 0.534 0.857 0.657 CB 1.328 36 residues pruned to eliminate duplicates Z: 9 12.755 1.900 0.924 0.785 1.000 0.875 CB 0.960 9 residues pruned to eliminate duplicates Z: 15 9.663 1.840 0.494 0.362 0.857 0.429 CB 1.271 15 residues pruned to eliminate duplicates Z: 9 2.884 1.634 -0.261 0.507 0.750 0.625 N 1.119 Z: 40 16.108 1.766 0.641 0.437 0.846 0.462 CB 1.123 40 residues pruned to eliminate duplicates Z: 7 4.093 1.701 -0.281 0.665 1.000 0.833 CB 1.173 7 residues pruned to eliminate duplicates Z: 13 8.233 1.789 0.545 0.498 0.833 0.583 CB 1.034 13 residues pruned to eliminate duplicates Z: 48 30.826 2.016 0.696 0.566 0.936 0.660 CB 1.318 48 residues pruned to eliminate duplicates Z: 23 39.334 2.129 1.267 0.962 0.955 0.409 CB 1.245 23 residues pruned to eliminate duplicates Z: 12 11.295 1.817 0.476 0.551 1.000 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 22 16.842 1.948 0.980 0.459 0.762 0.571 CB 1.305 22 residues pruned to eliminate duplicates Z: 7 7.826 1.502 0.256 0.845 1.000 0.833 C 1.259 Z: 8 9.842 1.908 0.482 0.874 0.857 0.429 CB 1.117 8 residues pruned to eliminate duplicates Z: 13 11.333 1.805 0.337 0.524 0.833 0.583 C 1.590 10 residues pruned to eliminate duplicates Z: 22 14.447 1.874 0.890 0.332 0.762 0.429 CB 1.404 22 residues pruned to eliminate duplicates Z: 55 24.050 1.882 0.652 0.391 0.926 0.463 CB 1.276 55 residues pruned to eliminate duplicates Z: 19 20.472 1.961 0.477 0.915 0.944 0.778 CB 1.247 19 residues pruned to eliminate duplicates Z: 19 11.970 1.770 0.500 0.477 0.944 0.667 CB 1.152 19 residues pruned to eliminate duplicates Z: 49 31.022 1.967 0.748 0.533 0.958 0.708 CB 1.315 49 residues pruned to eliminate duplicates Z: 20 23.476 2.059 0.543 0.816 0.947 0.684 CB 1.360 20 residues pruned to eliminate duplicates Z: 6 6.136 1.560 0.798 0.562 1.000 0.600 N 0.921 Z: 19 13.246 1.828 0.699 0.384 0.889 0.500 CB 1.279 19 residues pruned to eliminate duplicates Z: 39 23.309 1.961 0.548 0.496 0.921 0.526 CB 1.358 39 residues pruned to eliminate duplicates Z: 11 7.355 1.614 0.344 0.642 1.000 0.500 CB 0.939 11 residues pruned to eliminate duplicates Z: 20 26.170 2.089 0.936 0.744 0.947 0.789 CB 1.260 20 residues pruned to eliminate duplicates Z: 52 36.883 2.073 0.711 0.564 0.941 0.647 CB 1.455 52 residues pruned to eliminate duplicates Z: 23 11.678 1.965 0.686 0.421 0.727 0.545 CB 1.122 23 residues pruned to eliminate duplicates Z: 24 35.077 2.047 1.096 0.929 0.957 0.217 CB 1.247 24 residues pruned to eliminate duplicates Z: 26 24.632 2.059 0.651 0.533 0.960 0.720 CA 1.462 26 residues pruned to eliminate duplicates Z: 25 27.052 2.137 0.750 0.511 0.917 0.625 CA 1.593 25 residues pruned to eliminate duplicates Z: 20 8.114 1.606 0.478 0.408 0.947 0.579 CB 0.911 20 residues pruned to eliminate duplicates Z: 41 26.328 1.972 0.572 0.671 0.875 0.750 CB 1.311 41 residues pruned to eliminate duplicates Z: 8 3.405 1.466 0.392 0.308 0.714 0.714 CB 1.092 Z: 12 21.433 2.158 0.890 0.549 0.909 0.636 CB 1.661 12 residues pruned to eliminate duplicates Z: 93 54.655 2.084 1.002 0.559 0.924 0.500 CB 1.396 93 residues pruned to eliminate duplicates Z: 43 24.266 1.961 0.643 0.465 0.833 0.548 CB 1.446 43 residues pruned to eliminate duplicates Z: 20 23.932 2.027 0.642 0.877 0.895 0.474 CB 1.339 20 residues pruned to eliminate duplicates Z: 45 29.975 2.106 0.675 0.605 0.864 0.636 CB 1.343 45 residues pruned to eliminate duplicates Z: 11 11.231 1.843 0.759 0.531 0.900 0.700 CA 1.181 11 residues pruned to eliminate duplicates Z: 9 15.863 2.007 0.435 0.905 1.000 1.000 CB 1.387 9 residues pruned to eliminate duplicates Z: 6 4.052 1.614 0.542 0.510 0.800 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 38 26.547 2.070 0.878 0.526 0.892 0.676 CB 1.227 38 residues pruned to eliminate duplicates Z: 19 21.313 2.077 0.797 0.517 1.000 0.722 CB 1.323 19 residues pruned to eliminate duplicates Z: 10 4.853 1.578 0.051 0.453 0.889 0.333 CB 1.151 Z: 17 22.702 2.100 0.343 0.932 0.938 0.875 CB 1.499 17 residues pruned to eliminate duplicates Z: 8 2.816 1.584 0.451 0.223 0.571 0.429 CB 1.121 8 residues pruned to eliminate duplicates Z: 50 27.090 1.968 0.666 0.497 0.918 0.449 CB 1.289 50 residues pruned to eliminate duplicates Z: 25 17.950 1.913 0.647 0.463 0.917 0.625 CB 1.317 25 residues pruned to eliminate duplicates Z: 17 18.635 2.113 0.899 0.332 0.875 0.562 CB 1.594 17 residues pruned to eliminate duplicates Z: 6 3.960 1.598 0.076 0.297 1.000 0.600 CB 1.293 6 residues pruned to eliminate duplicates Z: 8 2.749 1.698 -0.128 0.412 0.714 0.429 CB 1.077 Z: 29 28.734 2.015 0.579 0.714 1.000 0.750 CB 1.405 29 residues pruned to eliminate duplicates Z: 42 31.906 2.027 0.809 0.569 0.951 0.415 CB 1.336 42 residues pruned to eliminate duplicates Z: 6 4.908 1.383 0.418 0.588 1.000 0.400 O 1.029 Z: 20 26.434 2.227 0.684 0.450 0.947 0.632 CA 1.797 20 residues pruned to eliminate duplicates Z: 25 35.143 2.162 0.747 0.907 1.000 0.917 CB 1.350 25 residues pruned to eliminate duplicates Z: 52 29.700 2.012 0.731 0.467 0.961 0.490 CB 1.286 52 residues pruned to eliminate duplicates Z: 28 24.264 2.047 0.748 0.659 0.852 0.704 CB 1.321 28 residues pruned to eliminate duplicates Z: 24 40.486 2.081 1.162 0.950 0.957 0.391 CB 1.353 24 residues pruned to eliminate duplicates Z: 62 32.280 2.037 0.779 0.465 0.918 0.508 CB 1.287 62 residues pruned to eliminate duplicates Z: 44 22.056 1.852 0.675 0.459 0.884 0.558 CB 1.279 44 residues pruned to eliminate duplicates Z: 15 23.596 2.061 1.126 0.924 0.929 0.571 CB 1.089 15 residues pruned to eliminate duplicates Z: 16 15.643 2.009 0.925 0.502 0.800 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 8 5.111 1.466 0.200 0.905 1.000 0.857 CB 0.781 6 residues pruned to eliminate duplicates Z: 17 9.135 1.737 0.481 0.338 0.875 0.375 CA 1.210 17 residues pruned to eliminate duplicates Z: 19 13.794 1.898 0.758 0.343 0.944 0.611 CB 1.223 19 residues pruned to eliminate duplicates Z: 62 31.860 1.939 0.602 0.499 0.918 0.607 CB 1.432 62 residues pruned to eliminate duplicates Z: 8 4.103 1.477 0.556 0.570 0.857 0.714 CB 0.736 4 residues pruned to eliminate duplicates Z: 40 31.129 2.009 0.738 0.682 0.949 0.744 CB 1.273 40 residues pruned to eliminate duplicates 446 residues left after pruning, divided into chains as follows: A: 301 B: 77 C: 60 D: 8 CC for partial structure against native data = 45.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.510, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.596, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.760, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.766, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.776, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.778, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 0.779, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2273 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 38.562 2.407 0.896 0.521 0.958 0.667 CB 1.763 B: 43 41.295 2.212 0.734 0.635 0.952 0.690 CB 1.537 5 residues pruned to eliminate duplicates C: 16 41.201 2.453 0.783 0.918 1.000 0.867 CB 1.716 D: 19 26.185 2.252 0.197 0.858 1.000 0.722 CB 1.687 19 residues pruned to eliminate duplicates E: 24 30.330 2.321 0.630 0.495 1.000 0.696 CB 1.680 F: 11 18.010 2.202 0.936 0.621 0.900 0.800 CB 1.325 11 residues pruned to eliminate duplicates G: 53 47.703 2.332 0.656 0.595 0.942 0.654 CB 1.661 16 residues pruned to eliminate duplicates H: 10 16.465 2.046 0.327 0.904 1.000 0.889 CA 1.439 I: 24 40.568 2.321 0.632 0.959 1.000 0.870 CB 1.530 J: 16 33.829 2.435 0.520 0.915 1.000 1.000 CB 1.669 16 residues pruned to eliminate duplicates K: 37 30.859 2.161 0.654 0.457 0.944 0.583 CB 1.593 37 residues pruned to eliminate duplicates L: 25 40.031 2.292 0.651 0.928 1.000 0.917 CB 1.512 24 residues pruned to eliminate duplicates M: 27 31.526 2.263 0.757 0.444 0.962 0.654 CB 1.712 27 residues pruned to eliminate duplicates N: 19 27.773 2.319 0.547 0.781 0.889 0.667 CB 1.602 19 residues pruned to eliminate duplicates O: 16 36.679 2.385 1.129 0.937 0.867 0.667 CB 1.498 16 residues pruned to eliminate duplicates P: 24 43.862 2.380 0.637 0.957 1.000 0.957 CB 1.611 Q: 22 24.164 2.271 0.468 0.760 0.810 0.667 CB 1.551 22 residues pruned to eliminate duplicates R: 30 29.121 2.265 0.664 0.449 0.931 0.517 CB 1.624 30 residues pruned to eliminate duplicates S: 59 29.869 2.071 0.532 0.454 0.914 0.500 CB 1.418 10 residues pruned to eliminate duplicates T: 18 30.865 2.292 0.387 0.904 0.941 0.824 CA 1.782 18 residues pruned to eliminate duplicates U: 18 26.414 2.312 0.360 0.907 1.000 0.588 CB 1.448 18 residues pruned to eliminate duplicates V: 12 25.625 2.492 0.653 0.536 0.909 0.818 CA 1.991 12 residues pruned to eliminate duplicates W: 19 37.424 2.297 0.684 0.886 1.000 0.778 CB 1.645 19 residues pruned to eliminate duplicates X: 25 41.449 2.351 0.522 0.926 1.000 0.875 CB 1.659 25 residues pruned to eliminate duplicates Y: 17 36.648 2.363 0.587 0.886 1.000 0.625 CB 1.763 17 residues pruned to eliminate duplicates Z: 81 47.358 2.195 0.710 0.552 0.900 0.562 CB 1.490 35 residues pruned to eliminate duplicates Z: 19 32.439 2.346 0.833 0.482 1.000 0.722 CA 1.810 19 residues pruned to eliminate duplicates Z: 10 15.400 2.100 0.422 0.842 0.889 0.556 CB 1.442 10 residues pruned to eliminate duplicates Z: 24 40.406 2.378 0.582 0.942 0.957 0.783 CB 1.623 24 residues pruned to eliminate duplicates Z: 26 31.776 2.345 0.777 0.435 0.960 0.600 CA 1.700 26 residues pruned to eliminate duplicates Z: 30 41.437 2.393 1.011 0.515 0.897 0.655 CB 1.756 31 residues pruned to eliminate duplicates Z: 10 21.152 2.098 0.635 0.900 1.000 0.889 CB 1.467 10 residues pruned to eliminate duplicates Z: 45 38.317 2.184 0.768 0.541 0.955 0.614 CB 1.506 45 residues pruned to eliminate duplicates Z: 20 32.376 2.304 0.496 0.897 1.000 0.737 CB 1.542 20 residues pruned to eliminate duplicates Z: 41 37.249 2.231 0.646 0.638 0.950 0.675 CB 1.483 41 residues pruned to eliminate duplicates Z: 105 68.996 2.287 0.836 0.587 0.933 0.558 CB 1.589 83 residues pruned to eliminate duplicates Z: 25 33.707 2.400 0.755 0.491 0.958 0.625 CA 1.719 25 residues pruned to eliminate duplicates Z: 23 42.661 2.357 0.704 0.954 0.955 0.636 CB 1.632 23 residues pruned to eliminate duplicates Z: 16 32.648 2.359 0.395 0.906 1.000 1.000 CA 1.822 16 residues pruned to eliminate duplicates Z: 27 32.808 2.370 0.710 0.504 0.962 0.654 CB 1.645 27 residues pruned to eliminate duplicates Z: 107 70.559 2.317 0.875 0.599 0.915 0.575 CB 1.569 107 residues pruned to eliminate duplicates Z: 58 51.969 2.397 0.633 0.602 0.947 0.719 CB 1.684 58 residues pruned to eliminate duplicates Z: 27 32.971 2.134 0.545 0.921 1.000 0.731 CB 1.380 27 residues pruned to eliminate duplicates Z: 22 26.961 2.170 0.374 0.950 0.952 0.810 CB 1.429 Z: 45 34.346 2.102 0.772 0.531 0.909 0.545 CB 1.483 43 residues pruned to eliminate duplicates Z: 20 30.176 2.332 0.442 0.952 1.000 0.947 CB 1.419 20 residues pruned to eliminate duplicates Z: 26 41.448 2.380 1.007 0.562 0.960 0.640 CB 1.703 26 residues pruned to eliminate duplicates Z: 16 35.516 2.401 1.051 0.939 0.933 0.933 CB 1.387 16 residues pruned to eliminate duplicates Z: 39 23.586 2.089 0.426 0.405 0.947 0.526 CB 1.498 39 residues pruned to eliminate duplicates Z: 25 56.923 2.384 1.040 0.952 1.000 0.500 CB 1.646 25 residues pruned to eliminate duplicates Z: 26 49.273 2.254 1.117 0.949 0.960 0.560 CB 1.484 27 residues pruned to eliminate duplicates Z: 11 4.728 1.735 0.720 0.263 0.600 0.300 C 1.094 11 residues pruned to eliminate duplicates Z: 18 33.941 2.334 0.480 0.888 1.000 0.706 CB 1.717 18 residues pruned to eliminate duplicates Z: 15 19.918 2.240 0.764 0.567 0.857 0.786 CB 1.473 15 residues pruned to eliminate duplicates Z: 25 33.815 2.311 0.307 0.960 1.000 1.000 CB 1.566 25 residues pruned to eliminate duplicates Z: 17 39.222 2.409 0.605 0.931 1.000 0.812 CB 1.773 17 residues pruned to eliminate duplicates Z: 10 25.973 2.090 0.947 0.888 1.000 0.778 CB 1.533 10 residues pruned to eliminate duplicates Z: 24 47.453 2.331 0.937 0.923 0.957 0.739 CB 1.610 24 residues pruned to eliminate duplicates Z: 24 31.442 2.256 0.891 0.497 0.957 0.696 CA 1.612 23 residues pruned to eliminate duplicates Z: 24 39.356 2.277 0.962 0.581 1.000 0.783 CB 1.699 25 residues pruned to eliminate duplicates Z: 18 25.937 2.344 0.310 0.940 1.000 1.000 CB 1.423 18 residues pruned to eliminate duplicates Z: 26 50.795 2.283 1.058 0.938 0.920 0.680 CB 1.634 26 residues pruned to eliminate duplicates Z: 10 17.407 1.932 0.775 0.903 1.000 0.778 CB 1.206 10 residues pruned to eliminate duplicates Z: 10 18.437 2.050 0.529 0.897 1.000 0.556 CB 1.403 10 residues pruned to eliminate duplicates Z: 52 39.157 2.123 0.756 0.503 0.961 0.529 CB 1.526 52 residues pruned to eliminate duplicates Z: 15 23.273 2.232 0.922 0.570 1.000 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 39 29.071 2.098 0.666 0.546 0.947 0.474 CB 1.361 39 residues pruned to eliminate duplicates Z: 17 35.842 2.367 0.486 0.924 1.000 0.812 CB 1.789 17 residues pruned to eliminate duplicates Z: 15 29.679 2.400 0.388 0.917 1.000 0.929 CB 1.680 15 residues pruned to eliminate duplicates Z: 17 26.364 2.128 0.480 0.901 1.000 0.750 CB 1.495 Z: 25 39.320 2.132 0.765 0.945 1.000 0.750 CB 1.477 22 residues pruned to eliminate duplicates Z: 24 40.811 2.159 0.796 0.928 1.000 0.783 CB 1.536 25 residues pruned to eliminate duplicates Z: 9 15.549 2.019 0.697 0.862 0.875 0.750 CB 1.346 9 residues pruned to eliminate duplicates Z: 43 37.179 2.190 0.733 0.631 0.929 0.714 CB 1.440 43 residues pruned to eliminate duplicates Z: 40 32.930 2.111 0.810 0.524 0.923 0.667 CB 1.459 40 residues pruned to eliminate duplicates Z: 25 50.257 2.296 1.021 0.918 0.958 0.542 CB 1.627 25 residues pruned to eliminate duplicates Z: 22 26.886 2.300 0.630 0.749 0.810 0.619 CB 1.549 22 residues pruned to eliminate duplicates Z: 9 19.264 2.128 0.573 0.905 1.000 0.625 CB 1.448 9 residues pruned to eliminate duplicates Z: 49 35.071 2.283 0.577 0.572 0.854 0.646 CB 1.536 49 residues pruned to eliminate duplicates Z: 52 27.830 2.078 0.609 0.503 0.863 0.510 CB 1.347 52 residues pruned to eliminate duplicates Z: 20 47.845 2.367 1.062 0.939 0.947 0.526 CB 1.650 20 residues pruned to eliminate duplicates Z: 45 31.936 2.043 0.805 0.497 0.909 0.568 CB 1.440 45 residues pruned to eliminate duplicates Z: 16 20.358 2.308 0.598 0.513 0.867 0.733 CA 1.624 16 residues pruned to eliminate duplicates Z: 66 43.962 2.258 0.669 0.548 0.923 0.615 CB 1.496 66 residues pruned to eliminate duplicates Z: 24 25.769 2.156 0.158 0.940 1.000 0.826 CB 1.495 24 residues pruned to eliminate duplicates Z: 9 4.716 1.970 0.573 0.439 0.750 0.500 CB 0.764 9 residues pruned to eliminate duplicates Z: 24 32.481 2.125 0.636 0.937 0.957 0.696 CB 1.417 24 residues pruned to eliminate duplicates Z: 20 31.168 2.334 0.451 0.858 0.947 0.842 CB 1.642 20 residues pruned to eliminate duplicates Z: 84 50.994 2.223 0.744 0.541 0.928 0.566 CB 1.495 74 residues pruned to eliminate duplicates Z: 14 34.179 2.550 0.861 0.528 1.000 0.769 CA 1.942 14 residues pruned to eliminate duplicates Z: 12 9.349 1.885 0.113 0.795 0.818 0.636 CB 1.268 9 residues pruned to eliminate duplicates Z: 9 20.315 2.066 0.729 0.895 1.000 0.875 CA 1.441 9 residues pruned to eliminate duplicates Z: 20 33.787 2.315 0.673 0.874 0.947 0.947 CB 1.538 20 residues pruned to eliminate duplicates Z: 41 32.869 2.062 0.834 0.469 0.950 0.475 CB 1.493 41 residues pruned to eliminate duplicates Z: 24 47.248 2.404 0.782 0.944 0.957 0.826 CB 1.665 24 residues pruned to eliminate duplicates Z: 17 42.435 2.426 0.952 0.936 0.938 0.750 CB 1.664 17 residues pruned to eliminate duplicates Z: 22 26.191 2.175 0.968 0.390 0.905 0.667 CA 1.659 22 residues pruned to eliminate duplicates Z: 18 36.305 2.300 0.740 0.903 1.000 0.647 CB 1.569 18 residues pruned to eliminate duplicates Z: 24 46.667 2.393 0.789 0.951 0.957 0.522 CB 1.638 24 residues pruned to eliminate duplicates Z: 17 33.612 2.336 0.559 0.901 1.000 1.000 CB 1.647 17 residues pruned to eliminate duplicates Z: 51 40.495 2.137 0.770 0.509 0.980 0.560 CB 1.532 51 residues pruned to eliminate duplicates Z: 65 45.474 2.305 0.574 0.559 0.938 0.625 CB 1.578 65 residues pruned to eliminate duplicates Z: 28 34.313 2.124 0.483 0.936 1.000 0.778 CB 1.460 28 residues pruned to eliminate duplicates Z: 53 33.537 2.126 0.703 0.480 0.885 0.500 CB 1.482 43 residues pruned to eliminate duplicates Z: 17 40.786 2.405 0.653 0.899 1.000 0.812 CB 1.834 17 residues pruned to eliminate duplicates Z: 24 39.648 2.189 0.771 0.943 0.957 0.870 CB 1.546 24 residues pruned to eliminate duplicates Z: 23 38.945 2.228 0.705 0.949 1.000 0.864 CB 1.508 23 residues pruned to eliminate duplicates Z: 24 53.306 2.419 0.871 0.951 1.000 0.826 CB 1.692 24 residues pruned to eliminate duplicates Z: 89 68.030 2.304 0.929 0.630 0.932 0.545 CB 1.549 89 residues pruned to eliminate duplicates Z: 19 29.522 2.281 0.379 0.874 1.000 0.500 CB 1.610 19 residues pruned to eliminate duplicates Z: 18 29.879 2.323 0.452 0.890 1.000 0.765 CB 1.546 18 residues pruned to eliminate duplicates Z: 47 32.401 2.088 0.648 0.514 0.957 0.674 CB 1.432 47 residues pruned to eliminate duplicates Z: 18 39.587 2.354 0.665 0.905 1.000 0.765 CB 1.743 18 residues pruned to eliminate duplicates Z: 25 52.330 2.309 1.086 0.942 0.958 0.458 CB 1.605 25 residues pruned to eliminate duplicates Z: 51 42.256 2.171 0.799 0.519 0.960 0.500 CB 1.564 51 residues pruned to eliminate duplicates Z: 60 47.780 2.193 0.697 0.607 0.966 0.712 CB 1.562 54 residues pruned to eliminate duplicates Z: 37 30.436 2.074 0.615 0.618 0.917 0.583 CB 1.478 37 residues pruned to eliminate duplicates Z: 24 48.963 2.342 1.080 0.961 1.000 0.870 CB 1.435 24 residues pruned to eliminate duplicates Z: 7 12.912 1.856 0.509 0.692 1.000 0.500 CB 1.579 Z: 36 31.309 2.125 0.923 0.455 0.914 0.686 CB 1.483 26 residues pruned to eliminate duplicates Z: 61 43.064 2.203 0.597 0.589 0.950 0.650 CB 1.528 61 residues pruned to eliminate duplicates Z: 46 31.049 2.103 0.650 0.496 0.956 0.489 CB 1.402 46 residues pruned to eliminate duplicates Z: 17 28.903 2.166 0.544 0.898 1.000 0.750 CB 1.546 17 residues pruned to eliminate duplicates Z: 19 36.617 2.350 0.676 0.890 0.944 0.667 CB 1.670 19 residues pruned to eliminate duplicates Z: 91 50.677 2.197 0.731 0.541 0.900 0.556 CB 1.499 91 residues pruned to eliminate duplicates Z: 112 72.404 2.300 0.881 0.582 0.946 0.577 CB 1.552 119 residues pruned to eliminate duplicates Z: 50 40.118 2.242 0.620 0.579 0.939 0.673 CB 1.557 50 residues pruned to eliminate duplicates Z: 27 30.991 2.177 0.814 0.442 1.000 0.577 CA 1.633 27 residues pruned to eliminate duplicates Z: 9 16.057 2.048 0.649 0.882 0.875 0.875 CB 1.390 9 residues pruned to eliminate duplicates Z: 35 17.528 1.805 0.462 0.458 0.882 0.529 CB 1.348 35 residues pruned to eliminate duplicates Z: 9 9.565 1.796 0.409 0.550 1.000 0.625 CB 1.273 9 residues pruned to eliminate duplicates Z: 60 45.665 2.194 0.677 0.583 0.949 0.678 CB 1.572 60 residues pruned to eliminate duplicates Z: 11 11.717 1.907 0.581 0.567 0.800 0.700 CB 1.440 11 residues pruned to eliminate duplicates Z: 8 19.429 2.022 0.952 0.863 1.000 0.857 CB 1.365 8 residues pruned to eliminate duplicates Z: 25 44.517 2.328 0.725 0.959 1.000 0.708 CB 1.551 25 residues pruned to eliminate duplicates Z: 6 8.419 1.729 0.951 0.749 0.800 0.600 CA 1.117 6 residues pruned to eliminate duplicates Z: 20 52.306 2.427 1.162 0.950 1.000 0.368 CB 1.578 20 residues pruned to eliminate duplicates Z: 27 23.621 2.030 0.658 0.582 0.962 0.538 CB 1.322 27 residues pruned to eliminate duplicates Z: 14 10.852 1.879 0.531 0.437 0.769 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 25 38.166 2.411 0.918 0.525 0.958 0.667 CB 1.714 25 residues pruned to eliminate duplicates Z: 127 48.164 1.984 0.664 0.576 0.905 0.651 CB 1.335 65 residues pruned to eliminate duplicates Z: 6 12.344 1.924 0.405 0.751 1.000 0.400 N 1.631 Z: 51 33.861 2.084 0.673 0.527 0.920 0.560 CB 1.453 51 residues pruned to eliminate duplicates Z: 74 37.153 2.170 0.512 0.461 0.945 0.548 CB 1.460 74 residues pruned to eliminate duplicates Z: 60 53.568 2.367 0.716 0.561 0.966 0.661 CB 1.674 60 residues pruned to eliminate duplicates Z: 23 18.594 2.309 0.896 0.352 0.727 0.636 CB 1.463 23 residues pruned to eliminate duplicates Z: 31 14.940 1.834 0.546 0.440 0.800 0.433 CB 1.278 31 residues pruned to eliminate duplicates Z: 18 36.863 2.373 0.667 0.894 1.000 0.588 CB 1.621 18 residues pruned to eliminate duplicates Z: 18 27.582 2.103 0.447 0.908 1.000 0.765 CB 1.561 18 residues pruned to eliminate duplicates Z: 38 16.930 1.898 0.399 0.410 0.865 0.459 CB 1.331 38 residues pruned to eliminate duplicates Z: 19 26.371 2.357 0.769 0.446 0.889 0.667 CA 1.773 19 residues pruned to eliminate duplicates Z: 25 38.216 2.131 0.851 0.945 0.958 0.417 CB 1.429 25 residues pruned to eliminate duplicates Z: 49 29.513 2.068 0.775 0.494 0.875 0.458 CB 1.335 49 residues pruned to eliminate duplicates Z: 24 42.101 2.196 0.917 0.952 1.000 0.348 CB 1.436 24 residues pruned to eliminate duplicates Z: 23 39.122 2.218 0.855 0.956 0.955 0.591 CB 1.459 23 residues pruned to eliminate duplicates Z: 11 15.709 2.076 0.212 0.840 1.000 0.500 CB 1.473 11 residues pruned to eliminate duplicates Z: 88 63.396 2.294 0.904 0.609 0.908 0.540 CB 1.545 94 residues pruned to eliminate duplicates Z: 8 15.234 2.045 0.463 0.882 1.000 0.714 CB 1.393 8 residues pruned to eliminate duplicates Z: 27 15.313 1.915 0.634 0.522 0.808 0.538 CB 1.162 27 residues pruned to eliminate duplicates Z: 46 46.690 2.236 1.162 0.627 0.889 0.511 CB 1.438 46 residues pruned to eliminate duplicates Z: 98 59.686 2.318 0.601 0.632 0.948 0.732 CB 1.521 101 residues pruned to eliminate duplicates Z: 16 22.949 2.192 0.494 0.864 0.800 0.467 CB 1.658 16 residues pruned to eliminate duplicates Z: 26 43.876 2.211 0.968 0.932 0.960 0.600 CB 1.468 26 residues pruned to eliminate duplicates Z: 18 39.886 2.244 0.755 0.935 1.000 0.824 CB 1.711 18 residues pruned to eliminate duplicates Z: 63 36.259 2.103 0.613 0.539 0.952 0.581 CB 1.373 63 residues pruned to eliminate duplicates Z: 65 48.234 2.289 0.661 0.577 0.953 0.625 CB 1.544 65 residues pruned to eliminate duplicates Z: 41 20.591 1.873 0.566 0.462 0.900 0.475 CB 1.282 41 residues pruned to eliminate duplicates Z: 24 55.168 2.345 1.319 0.963 0.957 0.609 CB 1.512 24 residues pruned to eliminate duplicates Z: 19 29.232 2.160 0.525 0.880 1.000 0.500 CB 1.516 19 residues pruned to eliminate duplicates Z: 6 11.544 1.843 0.696 0.856 1.000 1.000 CA 1.217 6 residues pruned to eliminate duplicates Z: 48 18.744 1.845 0.495 0.437 0.851 0.511 CB 1.243 48 residues pruned to eliminate duplicates Z: 19 26.004 2.118 0.526 0.881 0.944 0.667 CB 1.454 19 residues pruned to eliminate duplicates Z: 23 38.273 2.227 0.758 0.960 0.955 0.773 CB 1.495 23 residues pruned to eliminate duplicates Z: 21 24.535 2.145 0.268 0.956 1.000 1.000 CB 1.386 21 residues pruned to eliminate duplicates Z: 11 21.132 1.938 0.801 0.853 1.000 0.600 CB 1.415 11 residues pruned to eliminate duplicates Z: 19 34.128 2.320 0.772 0.884 0.944 0.722 CB 1.498 19 residues pruned to eliminate duplicates Z: 20 33.936 2.327 0.486 0.885 1.000 0.789 CB 1.626 20 residues pruned to eliminate duplicates Z: 8 13.550 2.042 0.892 0.580 0.857 0.714 CA 1.432 8 residues pruned to eliminate duplicates Z: 8 16.018 1.998 0.975 0.857 0.857 0.571 CB 1.319 8 residues pruned to eliminate duplicates Z: 23 30.967 2.180 0.469 0.934 0.955 0.909 CB 1.506 23 residues pruned to eliminate duplicates Z: 52 33.092 2.079 0.704 0.458 0.941 0.510 CB 1.450 52 residues pruned to eliminate duplicates Z: 64 53.263 2.358 0.688 0.570 0.968 0.667 CB 1.627 64 residues pruned to eliminate duplicates Z: 45 27.265 1.972 0.744 0.471 0.909 0.545 CB 1.353 45 residues pruned to eliminate duplicates Z: 56 28.798 2.056 0.617 0.488 0.891 0.545 CB 1.327 56 residues pruned to eliminate duplicates Z: 51 33.202 2.084 0.629 0.545 0.960 0.640 CB 1.378 51 residues pruned to eliminate duplicates Z: 19 33.098 2.314 0.427 0.900 1.000 0.722 CB 1.688 19 residues pruned to eliminate duplicates Z: 42 35.270 2.045 0.698 0.643 0.951 0.659 CB 1.459 42 residues pruned to eliminate duplicates Z: 20 32.497 2.311 0.647 0.882 0.947 0.684 CB 1.497 20 residues pruned to eliminate duplicates Z: 26 36.428 2.193 0.860 0.927 0.920 0.360 CB 1.361 26 residues pruned to eliminate duplicates Z: 46 35.854 2.119 0.671 0.645 0.933 0.689 CB 1.412 46 residues pruned to eliminate duplicates Z: 63 42.042 2.131 0.621 0.558 0.952 0.661 CB 1.536 63 residues pruned to eliminate duplicates Z: 24 58.782 2.356 1.431 0.963 0.957 0.304 CB 1.529 24 residues pruned to eliminate duplicates Z: 45 27.711 2.089 0.566 0.518 0.886 0.591 CB 1.415 45 residues pruned to eliminate duplicates Z: 18 42.276 2.314 0.767 0.914 1.000 0.765 CB 1.774 18 residues pruned to eliminate duplicates Z: 24 53.749 2.331 1.356 0.950 0.957 0.435 CB 1.472 24 residues pruned to eliminate duplicates Z: 22 31.530 2.400 0.756 0.453 1.000 0.619 CB 1.713 22 residues pruned to eliminate duplicates Z: 18 10.246 1.732 0.318 0.440 0.941 0.412 CB 1.231 18 residues pruned to eliminate duplicates Z: 16 45.774 2.361 1.337 0.944 0.933 0.333 CB 1.590 16 residues pruned to eliminate duplicates Z: 24 46.506 2.162 1.033 0.931 1.000 0.565 CB 1.542 24 residues pruned to eliminate duplicates Z: 40 48.965 2.312 1.186 0.705 0.897 0.615 CB 1.435 40 residues pruned to eliminate duplicates Z: 60 52.571 2.327 0.672 0.566 0.949 0.627 CB 1.738 60 residues pruned to eliminate duplicates Z: 54 31.373 2.057 0.687 0.458 0.887 0.453 CB 1.462 54 residues pruned to eliminate duplicates Z: 51 30.951 2.084 0.696 0.442 0.900 0.460 CB 1.460 51 residues pruned to eliminate duplicates Z: 24 40.115 2.359 0.597 0.937 0.957 0.739 CB 1.615 24 residues pruned to eliminate duplicates Z: 10 18.939 1.846 0.805 0.800 1.000 0.778 CB 1.457 10 residues pruned to eliminate duplicates Z: 24 56.774 2.336 1.371 0.960 1.000 0.522 CB 1.463 24 residues pruned to eliminate duplicates Z: 48 34.613 2.189 0.760 0.502 0.851 0.596 CB 1.537 48 residues pruned to eliminate duplicates Z: 36 21.911 2.003 0.557 0.514 0.886 0.543 CB 1.322 36 residues pruned to eliminate duplicates Z: 59 42.846 2.155 0.627 0.555 0.966 0.690 CB 1.575 59 residues pruned to eliminate duplicates Z: 38 26.890 2.110 0.548 0.456 0.946 0.541 CB 1.496 38 residues pruned to eliminate duplicates Z: 23 34.481 2.198 0.688 0.940 0.955 0.773 CB 1.441 23 residues pruned to eliminate duplicates Z: 28 33.071 2.087 0.481 0.841 0.963 0.889 CB 1.594 28 residues pruned to eliminate duplicates Z: 34 38.135 2.293 0.920 0.509 0.879 0.727 CB 1.701 34 residues pruned to eliminate duplicates Z: 20 26.242 2.278 0.330 0.864 0.947 0.789 CB 1.539 20 residues pruned to eliminate duplicates Z: 26 35.957 2.253 0.405 0.927 1.000 0.880 CA 1.592 26 residues pruned to eliminate duplicates Z: 20 20.643 2.064 0.518 0.795 0.842 0.579 CB 1.386 20 residues pruned to eliminate duplicates Z: 7 8.738 1.955 0.548 0.725 0.833 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 25 54.739 2.309 1.251 0.954 1.000 0.458 CB 1.479 25 residues pruned to eliminate duplicates Z: 9 8.798 1.837 0.335 0.543 0.875 0.625 CB 1.389 Z: 25 59.333 2.300 1.463 0.950 1.000 0.417 CB 1.474 25 residues pruned to eliminate duplicates Z: 18 36.670 2.271 0.574 0.903 1.000 0.765 CB 1.774 18 residues pruned to eliminate duplicates Z: 16 15.305 1.974 0.527 0.492 1.000 0.467 CB 1.322 16 residues pruned to eliminate duplicates Z: 105 68.687 2.301 0.825 0.610 0.923 0.548 CB 1.565 105 residues pruned to eliminate duplicates Z: 10 10.899 1.918 0.517 0.426 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 20 32.659 2.293 0.518 0.882 1.000 0.579 CB 1.557 20 residues pruned to eliminate duplicates Z: 23 33.644 2.156 0.808 0.911 0.909 0.636 CB 1.435 23 residues pruned to eliminate duplicates Z: 6 11.834 1.980 0.475 0.832 0.800 0.800 CA 1.700 Z: 42 24.718 2.063 0.559 0.450 0.878 0.488 CB 1.438 42 residues pruned to eliminate duplicates Z: 16 19.534 1.997 0.648 0.873 0.867 0.400 CB 1.289 16 residues pruned to eliminate duplicates Z: 51 40.379 2.238 0.683 0.627 0.880 0.740 CB 1.529 57 residues pruned to eliminate duplicates Z: 42 41.959 2.206 1.035 0.655 0.927 0.537 CB 1.364 42 residues pruned to eliminate duplicates Z: 40 21.275 2.003 0.545 0.433 0.897 0.487 CB 1.315 40 residues pruned to eliminate duplicates Z: 39 25.206 2.028 0.608 0.501 0.921 0.579 CB 1.360 39 residues pruned to eliminate duplicates Z: 47 37.463 2.215 0.606 0.610 0.913 0.587 CB 1.533 47 residues pruned to eliminate duplicates Z: 17 28.617 2.198 0.532 0.914 0.938 0.688 CB 1.603 17 residues pruned to eliminate duplicates Z: 40 30.486 2.089 0.583 0.660 0.897 0.615 CB 1.418 40 residues pruned to eliminate duplicates Z: 19 28.694 2.145 0.705 0.870 0.889 0.556 CB 1.519 19 residues pruned to eliminate duplicates Z: 23 30.524 2.288 0.201 0.955 1.000 1.000 CA 1.627 23 residues pruned to eliminate duplicates Z: 26 43.607 2.221 0.912 0.935 0.960 0.760 CB 1.491 26 residues pruned to eliminate duplicates Z: 48 39.854 2.178 0.897 0.586 0.872 0.553 CB 1.485 48 residues pruned to eliminate duplicates Z: 44 31.698 2.089 0.694 0.526 0.930 0.488 CB 1.431 44 residues pruned to eliminate duplicates Z: 52 30.684 2.025 0.648 0.503 0.922 0.627 CB 1.393 52 residues pruned to eliminate duplicates Z: 10 15.398 2.107 0.587 0.524 1.000 0.667 CB 1.499 10 residues pruned to eliminate duplicates Z: 26 47.026 2.185 1.290 0.928 0.920 0.440 CB 1.431 26 residues pruned to eliminate duplicates Z: 17 35.847 2.254 1.158 0.937 0.875 0.250 CB 1.465 17 residues pruned to eliminate duplicates Z: 28 19.689 2.074 0.561 0.448 0.889 0.481 CB 1.388 28 residues pruned to eliminate duplicates Z: 23 19.818 1.921 0.656 0.637 1.000 0.591 CB 1.168 23 residues pruned to eliminate duplicates Z: 109 67.826 2.258 0.819 0.580 0.926 0.574 CB 1.589 109 residues pruned to eliminate duplicates Z: 47 21.729 2.041 0.567 0.387 0.804 0.522 CB 1.404 47 residues pruned to eliminate duplicates Z: 7 4.040 1.844 0.107 0.374 0.833 0.500 CB 1.110 Z: 48 34.543 2.050 0.700 0.614 0.957 0.702 CB 1.355 48 residues pruned to eliminate duplicates Z: 16 10.986 2.071 0.613 0.360 0.800 0.600 CB 1.234 16 residues pruned to eliminate duplicates Z: 9 7.654 1.641 0.429 0.427 1.000 0.875 N 1.245 9 residues pruned to eliminate duplicates Z: 14 21.861 2.255 0.673 0.592 1.000 0.846 CB 1.472 14 residues pruned to eliminate duplicates Z: 45 27.885 2.085 0.567 0.490 0.909 0.545 CB 1.430 45 residues pruned to eliminate duplicates Z: 13 6.962 1.744 0.286 0.403 0.750 0.417 O 1.324 Z: 61 40.760 2.149 0.695 0.567 0.900 0.617 CB 1.504 61 residues pruned to eliminate duplicates Z: 29 31.041 2.287 0.702 0.603 0.929 0.643 CB 1.472 29 residues pruned to eliminate duplicates Z: 24 44.941 2.164 1.141 0.944 0.957 0.435 CB 1.464 24 residues pruned to eliminate duplicates Z: 8 5.097 1.768 -0.138 0.614 0.857 0.714 CB 1.324 8 residues pruned to eliminate duplicates Z: 24 56.044 2.400 1.189 0.951 0.957 0.391 CB 1.603 24 residues pruned to eliminate duplicates Z: 17 26.150 2.154 0.423 0.908 1.000 0.875 CB 1.515 17 residues pruned to eliminate duplicates Z: 23 26.424 2.138 0.215 0.946 1.000 0.955 CB 1.500 23 residues pruned to eliminate duplicates Z: 10 21.624 2.084 0.719 0.887 1.000 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 15 32.319 2.373 1.080 0.561 0.929 0.786 CB 1.775 15 residues pruned to eliminate duplicates Z: 52 22.797 2.027 0.480 0.441 0.863 0.490 CB 1.310 52 residues pruned to eliminate duplicates Z: 9 4.093 1.725 -0.166 0.455 0.750 0.375 N 1.404 Z: 65 56.011 2.325 0.787 0.575 0.984 0.594 CB 1.593 65 residues pruned to eliminate duplicates Z: 10 8.804 1.878 0.513 0.415 0.889 0.444 CB 1.270 10 residues pruned to eliminate duplicates Z: 23 10.922 1.939 0.528 0.370 0.773 0.455 CB 1.169 23 residues pruned to eliminate duplicates Z: 24 19.114 1.974 0.574 0.610 0.957 0.565 CB 1.208 24 residues pruned to eliminate duplicates Z: 52 34.382 2.084 0.753 0.460 0.961 0.490 CB 1.429 52 residues pruned to eliminate duplicates Z: 19 35.407 2.043 1.077 0.897 0.944 0.556 CB 1.490 19 residues pruned to eliminate duplicates Z: 19 34.335 2.326 1.090 0.949 0.833 0.389 CB 1.379 19 residues pruned to eliminate duplicates Z: 9 11.286 1.911 0.243 0.907 1.000 0.875 CB 1.193 9 residues pruned to eliminate duplicates Z: 20 24.546 2.118 0.517 0.829 0.895 0.737 CB 1.474 20 residues pruned to eliminate duplicates Z: 18 28.293 2.158 0.480 0.888 1.000 0.765 CB 1.549 18 residues pruned to eliminate duplicates Z: 24 41.504 2.181 0.901 0.942 1.000 0.435 CB 1.447 24 residues pruned to eliminate duplicates Z: 39 22.022 1.962 0.592 0.496 0.921 0.526 CB 1.246 39 residues pruned to eliminate duplicates Z: 14 18.163 2.080 0.838 0.460 0.923 0.462 CA 1.487 14 residues pruned to eliminate duplicates Z: 13 21.076 2.171 0.604 0.891 0.917 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 11 5.278 1.888 0.232 0.433 0.800 0.600 CB 0.961 Z: 40 27.526 2.035 0.631 0.494 0.949 0.513 CB 1.408 40 residues pruned to eliminate duplicates Z: 23 34.153 2.177 0.791 0.922 0.909 0.727 CB 1.445 23 residues pruned to eliminate duplicates Z: 22 29.635 2.408 0.589 0.487 1.000 0.524 CB 1.713 22 residues pruned to eliminate duplicates Z: 7 4.401 1.931 -0.489 0.699 1.000 0.667 CB 1.518 9 residues pruned to eliminate duplicates Z: 38 18.536 1.903 0.486 0.452 0.892 0.595 CB 1.270 38 residues pruned to eliminate duplicates Z: 44 27.672 2.109 0.579 0.496 0.860 0.558 CB 1.478 44 residues pruned to eliminate duplicates Z: 10 9.018 1.911 0.805 0.643 0.778 0.556 CB 0.981 Z: 9 3.141 1.429 0.286 0.477 0.500 0.500 CB 1.236 Z: 21 21.515 2.202 0.640 0.510 0.900 0.550 CB 1.465 21 residues pruned to eliminate duplicates Z: 25 12.634 1.698 0.456 0.458 0.875 0.542 CB 1.245 25 residues pruned to eliminate duplicates Z: 111 49.376 2.203 0.635 0.515 0.882 0.600 CB 1.460 111 residues pruned to eliminate duplicates Z: 25 37.236 2.294 0.481 0.907 1.000 0.917 CA 1.591 25 residues pruned to eliminate duplicates Z: 43 35.549 2.180 0.581 0.612 0.929 0.619 CB 1.541 43 residues pruned to eliminate duplicates Z: 62 40.127 2.158 0.509 0.548 0.951 0.590 CB 1.583 62 residues pruned to eliminate duplicates Z: 7 5.061 1.888 -0.209 0.656 0.833 0.833 CB 1.436 7 residues pruned to eliminate duplicates Z: 20 34.969 2.338 0.558 0.890 0.947 0.842 CB 1.673 20 residues pruned to eliminate duplicates Z: 7 5.479 2.226 0.118 0.466 0.833 0.500 CB 1.117 7 residues pruned to eliminate duplicates Z: 12 14.995 1.988 0.822 0.470 0.818 0.636 CB 1.573 12 residues pruned to eliminate duplicates Z: 9 15.596 1.861 0.880 0.686 0.875 0.750 CA 1.518 9 residues pruned to eliminate duplicates Z: 24 19.286 2.000 0.577 0.610 0.957 0.565 CB 1.201 24 residues pruned to eliminate duplicates Z: 23 42.640 2.378 0.727 0.943 0.955 0.864 CB 1.607 23 residues pruned to eliminate duplicates Z: 26 55.914 2.279 1.222 0.943 0.960 0.560 CB 1.593 26 residues pruned to eliminate duplicates Z: 37 28.685 2.102 0.671 0.547 0.972 0.639 CB 1.337 37 residues pruned to eliminate duplicates Z: 40 25.645 2.052 0.667 0.541 0.897 0.590 CB 1.285 40 residues pruned to eliminate duplicates Z: 63 34.779 2.222 0.556 0.550 0.839 0.597 CB 1.451 63 residues pruned to eliminate duplicates Z: 52 27.580 2.065 0.583 0.482 0.882 0.569 CB 1.363 52 residues pruned to eliminate duplicates Z: 10 17.836 2.117 0.442 0.782 1.000 0.667 CB 1.519 10 residues pruned to eliminate duplicates Z: 15 35.726 2.454 0.774 0.916 0.929 0.571 CB 1.669 15 residues pruned to eliminate duplicates Z: 31 18.612 1.967 0.549 0.479 0.900 0.400 CB 1.266 31 residues pruned to eliminate duplicates Z: 95 53.172 2.291 0.680 0.602 0.872 0.649 CB 1.483 95 residues pruned to eliminate duplicates Z: 34 34.061 2.207 0.663 0.614 0.939 0.576 CB 1.543 34 residues pruned to eliminate duplicates Z: 7 6.671 1.654 1.019 0.399 0.833 0.500 CA 1.089 7 residues pruned to eliminate duplicates Z: 52 26.695 2.085 0.508 0.467 0.922 0.471 CB 1.334 52 residues pruned to eliminate duplicates Z: 44 18.905 1.802 0.570 0.494 0.884 0.488 CB 1.160 44 residues pruned to eliminate duplicates Z: 42 17.366 1.861 0.411 0.402 0.878 0.463 CB 1.305 42 residues pruned to eliminate duplicates Z: 19 25.645 2.139 0.519 0.875 0.889 0.556 CB 1.522 19 residues pruned to eliminate duplicates Z: 7 8.628 1.904 -0.203 0.838 1.000 0.833 CB 1.736 12 residues pruned to eliminate duplicates Z: 18 17.623 1.843 0.530 0.614 0.941 0.471 CB 1.445 18 residues pruned to eliminate duplicates Z: 10 21.610 2.082 0.771 0.842 1.000 0.556 CB 1.456 10 residues pruned to eliminate duplicates Z: 40 19.295 1.881 0.539 0.443 0.872 0.487 CB 1.299 40 residues pruned to eliminate duplicates Z: 12 18.752 1.906 0.591 0.884 1.000 0.636 CA 1.347 12 residues pruned to eliminate duplicates Z: 23 35.173 2.316 0.561 0.906 0.955 0.773 CB 1.545 23 residues pruned to eliminate duplicates Z: 18 29.098 2.176 0.413 0.916 0.941 0.706 CA 1.722 18 residues pruned to eliminate duplicates Z: 10 5.319 1.857 -0.191 0.510 0.889 0.444 CB 1.316 7 residues pruned to eliminate duplicates Z: 77 35.954 1.986 0.471 0.557 0.934 0.632 CB 1.430 77 residues pruned to eliminate duplicates Z: 7 5.922 1.948 0.649 0.531 0.667 0.667 CB 1.096 7 residues pruned to eliminate duplicates Z: 19 28.834 2.195 0.438 0.896 1.000 0.833 CB 1.542 19 residues pruned to eliminate duplicates Z: 40 48.212 2.249 1.184 0.687 0.897 0.462 CB 1.475 40 residues pruned to eliminate duplicates Z: 9 5.035 1.592 0.216 0.473 0.750 0.500 CB 1.260 Z: 17 28.521 2.109 0.652 0.901 0.938 0.688 CB 1.558 17 residues pruned to eliminate duplicates Z: 60 44.582 2.206 0.584 0.601 0.949 0.695 CB 1.590 60 residues pruned to eliminate duplicates Z: 6 7.173 1.560 1.079 0.597 0.800 0.600 N 1.127 6 residues pruned to eliminate duplicates Z: 8 25.402 2.216 1.044 0.835 1.000 1.000 CA 1.588 8 residues pruned to eliminate duplicates Z: 23 43.119 2.256 1.029 0.947 0.955 0.636 CB 1.454 23 residues pruned to eliminate duplicates Z: 6 4.036 2.103 0.308 0.655 1.000 0.800 CB 0.568 6 residues pruned to eliminate duplicates Z: 24 29.892 2.129 0.400 0.943 0.957 0.870 CB 1.515 24 residues pruned to eliminate duplicates Z: 13 11.582 1.998 0.394 0.487 0.917 0.417 CB 1.326 13 residues pruned to eliminate duplicates Z: 14 8.503 1.683 0.303 0.370 1.000 0.385 CB 1.235 22 residues pruned to eliminate duplicates Z: 14 10.471 1.958 0.368 0.427 0.846 0.462 CA 1.383 14 residues pruned to eliminate duplicates Z: 25 13.038 1.835 0.501 0.428 0.875 0.625 CB 1.191 25 residues pruned to eliminate duplicates Z: 16 16.058 1.950 0.742 0.485 0.867 0.667 CA 1.430 16 residues pruned to eliminate duplicates 7 1.987 1.861 -0.008 0.373 0.833 0.833 CB 0.603 ? Z: 10 9.613 2.124 0.537 0.553 0.778 0.444 CB 1.199 10 residues pruned to eliminate duplicates Z: 18 30.098 2.112 0.593 0.914 1.000 0.882 CA 1.535 18 residues pruned to eliminate duplicates Z: 45 30.586 2.054 0.729 0.499 0.909 0.523 CB 1.429 45 residues pruned to eliminate duplicates Z: 41 18.814 1.917 0.536 0.409 0.900 0.500 CB 1.235 41 residues pruned to eliminate duplicates Z: 8 15.799 1.985 1.087 0.879 0.857 0.571 CB 1.219 8 residues pruned to eliminate duplicates Z: 7 5.770 1.888 0.064 0.258 1.000 0.500 CB 1.547 7 residues pruned to eliminate duplicates Z: 8 19.993 2.048 0.790 0.916 1.000 0.714 CB 1.456 8 residues pruned to eliminate duplicates Z: 14 10.424 1.768 0.409 0.566 0.923 0.385 CB 1.180 14 residues pruned to eliminate duplicates Z: 8 17.446 1.893 1.024 0.812 1.000 0.714 CB 1.312 8 residues pruned to eliminate duplicates Z: 9 6.805 1.858 0.410 0.410 0.875 0.500 CB 1.154 9 residues pruned to eliminate duplicates Z: 9 8.074 1.786 0.696 0.701 0.875 0.625 CB 0.897 9 residues pruned to eliminate duplicates Z: 52 31.629 2.054 0.663 0.483 0.922 0.608 CB 1.431 52 residues pruned to eliminate duplicates Z: 23 53.191 2.414 1.166 0.942 0.955 0.500 CB 1.576 23 residues pruned to eliminate duplicates Z: 38 50.388 2.247 1.096 0.723 0.946 0.541 CB 1.520 38 residues pruned to eliminate duplicates Z: 6 4.874 1.395 0.463 0.775 1.000 0.600 C 0.838 Z: 20 10.456 1.572 0.425 0.588 0.895 0.474 CB 1.101 20 residues pruned to eliminate duplicates Z: 26 32.661 2.182 0.996 0.537 0.920 0.760 CB 1.573 26 residues pruned to eliminate duplicates Z: 40 20.735 1.922 0.475 0.536 0.897 0.667 CB 1.260 40 residues pruned to eliminate duplicates Z: 6 3.025 1.598 0.137 0.489 0.800 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 45 35.311 2.094 0.815 0.504 0.932 0.545 CB 1.497 45 residues pruned to eliminate duplicates Z: 76 46.024 2.202 0.717 0.552 0.907 0.547 CB 1.474 76 residues pruned to eliminate duplicates Z: 9 12.251 2.107 0.630 0.316 1.000 0.500 CB 1.544 9 residues pruned to eliminate duplicates Z: 17 10.612 1.766 0.706 0.383 0.812 0.438 CB 1.227 17 residues pruned to eliminate duplicates Z: 7 2.495 1.679 0.225 0.238 0.667 0.500 CB 1.006 Z: 39 22.886 2.017 0.567 0.527 0.895 0.605 CB 1.279 39 residues pruned to eliminate duplicates Z: 9 2.670 1.449 0.265 0.371 0.750 0.500 CB 0.788 Z: 25 26.581 2.242 0.815 0.453 0.875 0.667 CB 1.600 25 residues pruned to eliminate duplicates Z: 7 3.055 1.648 -0.086 0.250 0.833 0.667 CB 1.324 7 residues pruned to eliminate duplicates Z: 6 6.024 1.843 -0.228 0.818 1.000 1.000 O 1.437 Z: 34 18.546 1.896 0.512 0.453 0.909 0.545 CB 1.299 34 residues pruned to eliminate duplicates Z: 38 43.830 2.312 0.884 0.670 0.919 0.757 CB 1.539 38 residues pruned to eliminate duplicates Z: 32 31.707 2.223 0.731 0.632 0.871 0.613 CB 1.500 32 residues pruned to eliminate duplicates Z: 48 28.317 2.046 0.634 0.502 0.894 0.596 CB 1.379 48 residues pruned to eliminate duplicates Z: 47 35.411 2.114 0.618 0.626 0.957 0.696 CB 1.417 47 residues pruned to eliminate duplicates Z: 18 29.571 2.331 0.498 0.922 0.941 0.824 CB 1.534 18 residues pruned to eliminate duplicates Z: 24 44.531 2.163 1.034 0.956 1.000 0.435 CB 1.450 24 residues pruned to eliminate duplicates Z: 72 34.802 2.030 0.611 0.537 0.915 0.648 CB 1.331 72 residues pruned to eliminate duplicates Z: 17 25.427 2.211 1.029 0.516 0.875 0.812 CA 1.595 17 residues pruned to eliminate duplicates Z: 38 43.726 2.283 0.877 0.671 0.946 0.622 CB 1.514 38 residues pruned to eliminate duplicates Z: 8 4.256 1.744 0.124 0.442 0.714 0.714 N 1.219 Z: 7 3.772 1.189 0.760 0.796 1.000 0.833 CB 0.567 7 residues pruned to eliminate duplicates Z: 20 10.546 1.954 0.553 0.274 0.737 0.421 CB 1.398 20 residues pruned to eliminate duplicates Z: 47 45.624 2.295 0.666 0.601 0.978 0.609 CB 1.633 47 residues pruned to eliminate duplicates Z: 9 6.642 1.761 -0.251 0.723 1.000 0.750 CB 1.456 Z: 28 16.911 1.912 0.772 0.383 0.815 0.333 CB 1.335 28 residues pruned to eliminate duplicates Z: 10 18.412 2.298 1.009 0.435 0.889 0.444 CA 1.600 10 residues pruned to eliminate duplicates Z: 50 27.679 2.057 0.557 0.515 0.898 0.510 CB 1.355 50 residues pruned to eliminate duplicates Z: 46 36.288 2.228 0.644 0.598 0.889 0.578 CB 1.514 46 residues pruned to eliminate duplicates Z: 6 2.440 1.432 -0.137 0.845 1.000 1.000 CB 0.656 6 residues pruned to eliminate duplicates Z: 6 6.077 1.734 0.501 0.743 1.000 0.600 CA 0.840 6 residues pruned to eliminate duplicates Z: 36 14.736 1.857 0.399 0.402 0.886 0.400 CB 1.200 36 residues pruned to eliminate duplicates Z: 8 9.372 1.824 0.321 0.546 1.000 0.571 CB 1.406 8 residues pruned to eliminate duplicates Z: 8 5.544 1.521 0.434 0.354 0.857 0.429 C 1.313 8 residues pruned to eliminate duplicates Z: 62 39.629 2.145 0.586 0.557 0.934 0.689 CB 1.510 62 residues pruned to eliminate duplicates Z: 30 24.040 1.991 0.500 0.695 0.931 0.759 CB 1.344 30 residues pruned to eliminate duplicates Z: 45 18.161 1.841 0.542 0.434 0.886 0.409 CB 1.165 45 residues pruned to eliminate duplicates Z: 34 26.045 2.102 0.670 0.547 0.909 0.636 CB 1.356 34 residues pruned to eliminate duplicates Z: 8 3.374 1.718 -0.128 0.385 0.857 0.571 CB 1.123 8 residues pruned to eliminate duplicates Z: 11 8.197 1.959 0.400 0.476 0.900 0.500 CB 1.076 11 residues pruned to eliminate duplicates Z: 6 3.689 1.457 0.264 0.480 1.000 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 7 7.494 1.668 0.735 0.526 0.833 0.500 CA 1.237 7 residues pruned to eliminate duplicates Z: 23 30.378 2.091 0.491 0.906 1.000 0.955 CB 1.477 23 residues pruned to eliminate duplicates Z: 8 5.497 1.842 -0.051 0.533 0.857 0.714 CB 1.342 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 46 34.203 2.105 0.782 0.487 0.911 0.556 CB 1.512 46 residues pruned to eliminate duplicates Z: 76 47.954 2.232 0.735 0.560 0.907 0.613 CB 1.488 76 residues pruned to eliminate duplicates Z: 50 35.367 2.126 0.737 0.497 0.918 0.612 CB 1.494 50 residues pruned to eliminate duplicates Z: 82 51.391 2.201 0.754 0.600 0.914 0.679 CB 1.472 82 residues pruned to eliminate duplicates Z: 46 30.457 2.077 0.670 0.489 0.911 0.511 CB 1.453 46 residues pruned to eliminate duplicates Z: 51 29.822 2.076 0.662 0.456 0.900 0.500 CB 1.421 51 residues pruned to eliminate duplicates Z: 45 37.736 2.117 0.846 0.524 0.932 0.500 CB 1.525 45 residues pruned to eliminate duplicates Z: 93 50.647 2.197 0.658 0.543 0.935 0.630 CB 1.486 93 residues pruned to eliminate duplicates Z: 46 30.241 2.086 0.718 0.502 0.867 0.533 CB 1.450 46 residues pruned to eliminate duplicates Z: 53 32.440 2.085 0.706 0.464 0.923 0.481 CB 1.421 53 residues pruned to eliminate duplicates Z: 39 34.452 2.076 0.844 0.525 0.974 0.579 CB 1.462 39 residues pruned to eliminate duplicates Z: 58 31.731 2.084 0.693 0.428 0.912 0.526 CB 1.407 58 residues pruned to eliminate duplicates Z: 43 33.042 2.091 0.795 0.478 0.929 0.476 CB 1.495 43 residues pruned to eliminate duplicates Z: 83 48.514 2.191 0.718 0.571 0.939 0.610 CB 1.415 83 residues pruned to eliminate duplicates Z: 93 49.704 2.214 0.640 0.545 0.924 0.598 CB 1.478 93 residues pruned to eliminate duplicates Z: 45 33.010 2.063 0.747 0.513 0.932 0.455 CB 1.463 45 residues pruned to eliminate duplicates Z: 39 36.434 2.089 0.848 0.523 0.947 0.658 CB 1.579 39 residues pruned to eliminate duplicates Z: 55 27.508 1.972 0.711 0.433 0.833 0.481 CB 1.426 55 residues pruned to eliminate duplicates Z: 51 27.463 1.973 0.591 0.469 0.900 0.460 CB 1.418 51 residues pruned to eliminate duplicates Z: 90 53.777 2.212 0.756 0.556 0.933 0.573 CB 1.491 90 residues pruned to eliminate duplicates Z: 52 28.890 2.020 0.742 0.453 0.863 0.510 CB 1.399 52 residues pruned to eliminate duplicates Z: 45 35.399 2.106 0.821 0.527 0.909 0.545 CB 1.491 45 residues pruned to eliminate duplicates Z: 32 21.262 1.959 0.566 0.474 0.903 0.548 CB 1.416 32 residues pruned to eliminate duplicates Z: 72 47.002 2.223 0.738 0.544 0.930 0.577 CB 1.488 72 residues pruned to eliminate duplicates Z: 68 39.394 2.132 0.660 0.502 0.896 0.507 CB 1.516 68 residues pruned to eliminate duplicates Z: 39 34.547 2.066 0.855 0.523 0.974 0.579 CB 1.468 39 residues pruned to eliminate duplicates Z: 39 34.012 2.052 0.910 0.562 0.895 0.500 CB 1.481 39 residues pruned to eliminate duplicates Z: 38 22.767 2.000 0.663 0.404 0.838 0.486 CB 1.486 38 residues pruned to eliminate duplicates Z: 50 33.699 2.088 0.763 0.505 0.918 0.592 CB 1.416 50 residues pruned to eliminate duplicates Z: 51 33.238 2.093 0.715 0.467 0.940 0.560 CB 1.440 51 residues pruned to eliminate duplicates Z: 6 10.387 1.956 0.886 0.463 1.000 0.800 CA 1.308 6 residues pruned to eliminate duplicates Z: 95 46.168 2.169 0.604 0.524 0.915 0.617 CB 1.461 95 residues pruned to eliminate duplicates Z: 93 50.071 2.173 0.706 0.543 0.935 0.598 CB 1.444 93 residues pruned to eliminate duplicates Z: 70 41.303 2.185 0.741 0.504 0.884 0.551 CB 1.473 70 residues pruned to eliminate duplicates Z: 63 41.577 2.225 0.722 0.513 0.935 0.500 CB 1.455 63 residues pruned to eliminate duplicates Z: 84 48.462 2.184 0.665 0.559 0.928 0.566 CB 1.489 84 residues pruned to eliminate duplicates Z: 49 37.703 2.098 0.766 0.512 0.979 0.542 CB 1.483 49 residues pruned to eliminate duplicates Z: 20 19.810 2.204 0.599 0.444 0.947 0.474 CB 1.441 20 residues pruned to eliminate duplicates Z: 83 52.084 2.202 0.733 0.586 0.939 0.659 CB 1.478 83 residues pruned to eliminate duplicates Z: 51 27.903 2.057 0.557 0.434 0.900 0.380 CB 1.465 51 residues pruned to eliminate duplicates Z: 51 32.971 2.111 0.692 0.499 0.900 0.480 CB 1.452 51 residues pruned to eliminate duplicates Z: 70 43.056 2.193 0.705 0.518 0.913 0.551 CB 1.491 70 residues pruned to eliminate duplicates Z: 96 51.347 2.145 0.762 0.534 0.916 0.579 CB 1.472 96 residues pruned to eliminate duplicates Z: 29 17.630 2.044 0.659 0.363 0.893 0.536 CB 1.275 29 residues pruned to eliminate duplicates Z: 53 32.330 2.054 0.704 0.501 0.923 0.577 CB 1.387 53 residues pruned to eliminate duplicates Z: 53 31.265 2.061 0.719 0.494 0.904 0.500 CB 1.363 53 residues pruned to eliminate duplicates Z: 83 50.918 2.201 0.737 0.589 0.915 0.585 CB 1.477 83 residues pruned to eliminate duplicates Z: 85 47.847 2.178 0.733 0.579 0.893 0.655 CB 1.435 85 residues pruned to eliminate duplicates Z: 24 21.437 2.318 0.407 0.531 0.870 0.652 CB 1.528 24 residues pruned to eliminate duplicates Z: 54 32.753 2.260 0.445 0.562 0.887 0.698 CB 1.462 54 residues pruned to eliminate duplicates Z: 48 38.342 2.271 0.720 0.568 0.894 0.596 CB 1.500 48 residues pruned to eliminate duplicates Z: 31 29.458 2.293 0.698 0.547 0.867 0.600 CB 1.522 31 residues pruned to eliminate duplicates Z: 26 31.558 2.382 0.750 0.557 0.920 0.720 CB 1.557 26 residues pruned to eliminate duplicates Z: 50 32.239 2.272 0.438 0.562 0.898 0.673 CB 1.479 50 residues pruned to eliminate duplicates Z: 76 51.175 2.229 0.738 0.592 0.947 0.627 CB 1.475 76 residues pruned to eliminate duplicates Z: 27 31.636 2.181 0.371 0.867 1.000 0.846 CB 1.518 27 residues pruned to eliminate duplicates Z: 40 38.754 2.260 0.723 0.634 0.923 0.769 CB 1.522 40 residues pruned to eliminate duplicates Z: 21 35.106 2.384 0.686 0.828 0.950 0.900 CB 1.548 21 residues pruned to eliminate duplicates Z: 17 32.220 2.377 0.830 0.746 0.938 0.812 CA 1.584 17 residues pruned to eliminate duplicates Z: 31 36.616 2.369 0.734 0.643 0.933 0.667 CB 1.525 31 residues pruned to eliminate duplicates Z: 76 50.123 2.197 0.755 0.584 0.920 0.560 CB 1.505 76 residues pruned to eliminate duplicates Z: 32 40.303 2.358 0.938 0.629 0.903 0.645 CB 1.553 32 residues pruned to eliminate duplicates Z: 93 50.851 2.160 0.831 0.540 0.891 0.543 CB 1.447 93 residues pruned to eliminate duplicates Z: 42 36.344 2.246 0.747 0.646 0.927 0.683 CB 1.361 42 residues pruned to eliminate duplicates Z: 97 61.596 2.306 0.701 0.607 0.948 0.646 CB 1.528 97 residues pruned to eliminate duplicates Z: 86 44.557 2.175 0.692 0.546 0.871 0.588 CB 1.443 86 residues pruned to eliminate duplicates Z: 42 42.925 2.195 0.813 0.724 0.976 0.707 CB 1.411 42 residues pruned to eliminate duplicates Z: 49 44.733 2.268 0.924 0.591 0.917 0.625 CB 1.479 49 residues pruned to eliminate duplicates Z: 18 43.567 2.380 1.378 0.824 0.941 0.588 CB 1.498 18 residues pruned to eliminate duplicates Z: 88 54.054 2.187 0.828 0.562 0.908 0.586 CB 1.503 88 residues pruned to eliminate duplicates Z: 26 42.650 2.224 0.837 0.928 1.000 0.640 CB 1.463 26 residues pruned to eliminate duplicates Z: 26 50.616 2.318 1.120 0.868 0.960 0.680 CB 1.568 26 residues pruned to eliminate duplicates Z: 119 65.466 2.272 0.776 0.559 0.941 0.559 CB 1.500 119 residues pruned to eliminate duplicates Z: 82 60.508 2.209 0.990 0.616 0.926 0.543 CB 1.480 82 residues pruned to eliminate duplicates Z: 25 49.014 2.262 1.199 0.958 0.917 0.500 CB 1.504 25 residues pruned to eliminate duplicates Z: 40 44.678 2.260 0.994 0.637 0.923 0.436 CB 1.513 40 residues pruned to eliminate duplicates Z: 73 61.260 2.289 0.945 0.689 0.917 0.569 CB 1.488 73 residues pruned to eliminate duplicates Z: 41 49.149 2.209 1.183 0.657 0.950 0.425 CB 1.466 41 residues pruned to eliminate duplicates Z: 46 50.014 2.301 1.126 0.606 0.911 0.400 CB 1.512 46 residues pruned to eliminate duplicates Z: 48 46.884 2.266 1.076 0.585 0.915 0.489 CB 1.465 48 residues pruned to eliminate duplicates Z: 48 50.033 2.254 1.047 0.624 0.936 0.511 CB 1.502 48 residues pruned to eliminate duplicates Z: 99 52.537 2.186 0.813 0.543 0.908 0.551 CB 1.414 99 residues pruned to eliminate duplicates Z: 48 46.448 2.273 0.962 0.626 0.915 0.511 CB 1.475 48 residues pruned to eliminate duplicates Z: 83 61.861 2.281 0.866 0.625 0.915 0.646 CB 1.559 83 residues pruned to eliminate duplicates Z: 57 42.480 2.202 0.966 0.589 0.857 0.464 CB 1.404 57 residues pruned to eliminate duplicates Z: 86 59.455 2.225 0.993 0.592 0.894 0.518 CB 1.489 86 residues pruned to eliminate duplicates Z: 83 63.100 2.257 0.930 0.643 0.915 0.488 CB 1.531 83 residues pruned to eliminate duplicates Z: 96 64.515 2.275 0.828 0.600 0.926 0.621 CB 1.563 96 residues pruned to eliminate duplicates Z: 56 48.376 2.283 1.038 0.592 0.873 0.491 CB 1.471 56 residues pruned to eliminate duplicates Z: 50 47.671 2.358 0.650 0.628 0.939 0.673 CB 1.653 50 residues pruned to eliminate duplicates Z: 13 19.304 2.139 0.755 0.530 0.917 0.750 CB 1.572 13 residues pruned to eliminate duplicates Z: 43 36.281 2.237 0.628 0.637 0.905 0.643 CB 1.494 43 residues pruned to eliminate duplicates Z: 62 45.343 2.297 0.752 0.548 0.934 0.623 CB 1.473 62 residues pruned to eliminate duplicates Z: 11 14.362 2.219 0.305 0.601 1.000 0.600 CB 1.425 11 residues pruned to eliminate duplicates Z: 36 34.020 2.248 0.693 0.624 0.943 0.714 CB 1.425 36 residues pruned to eliminate duplicates Z: 41 32.898 2.197 0.567 0.626 0.950 0.650 CB 1.413 41 residues pruned to eliminate duplicates Z: 60 42.743 2.278 0.645 0.536 0.932 0.593 CB 1.538 60 residues pruned to eliminate duplicates Z: 42 33.334 2.260 0.465 0.619 0.927 0.683 CB 1.516 42 residues pruned to eliminate duplicates Z: 42 38.970 2.248 0.645 0.623 0.951 0.756 CB 1.540 42 residues pruned to eliminate duplicates Z: 40 39.585 2.255 0.652 0.643 0.974 0.744 CB 1.528 40 residues pruned to eliminate duplicates Z: 46 37.573 2.229 0.586 0.643 0.956 0.711 CB 1.450 46 residues pruned to eliminate duplicates Z: 40 34.264 2.222 0.624 0.609 0.949 0.641 CB 1.446 40 residues pruned to eliminate duplicates Z: 41 34.839 2.231 0.610 0.625 0.950 0.700 CB 1.435 41 residues pruned to eliminate duplicates Z: 42 42.013 2.286 0.656 0.654 0.976 0.610 CB 1.539 42 residues pruned to eliminate duplicates Z: 41 40.474 2.258 0.798 0.628 0.950 0.750 CB 1.470 41 residues pruned to eliminate duplicates Z: 39 35.148 2.240 0.673 0.589 0.921 0.605 CB 1.517 39 residues pruned to eliminate duplicates Z: 44 34.200 2.225 0.499 0.577 0.953 0.605 CB 1.523 44 residues pruned to eliminate duplicates Z: 62 45.471 2.318 0.609 0.526 0.951 0.623 CB 1.600 62 residues pruned to eliminate duplicates Z: 27 35.995 2.268 0.571 0.706 0.962 0.615 CB 1.709 27 residues pruned to eliminate duplicates Z: 37 38.089 2.275 0.714 0.626 0.917 0.722 CB 1.577 37 residues pruned to eliminate duplicates Z: 42 33.617 2.241 0.549 0.611 0.902 0.756 CB 1.509 42 residues pruned to eliminate duplicates Z: 35 36.210 2.312 0.548 0.678 0.912 0.706 CB 1.615 35 residues pruned to eliminate duplicates Z: 42 41.384 2.270 0.712 0.634 0.927 0.683 CB 1.583 42 residues pruned to eliminate duplicates Z: 41 32.961 2.225 0.634 0.557 0.900 0.650 CB 1.506 41 residues pruned to eliminate duplicates Z: 60 41.413 2.291 0.664 0.526 0.915 0.627 CB 1.505 60 residues pruned to eliminate duplicates Z: 127 65.761 2.200 0.894 0.583 0.905 0.540 CB 1.435 127 residues pruned to eliminate duplicates Z: 53 32.990 2.148 0.539 0.519 0.885 0.577 CB 1.536 53 residues pruned to eliminate duplicates Z: 34 39.932 2.264 0.840 0.614 0.970 0.667 CB 1.546 34 residues pruned to eliminate duplicates Z: 56 48.431 2.344 0.658 0.594 0.927 0.691 CB 1.657 56 residues pruned to eliminate duplicates Z: 125 60.273 2.189 0.784 0.562 0.903 0.500 CB 1.445 125 residues pruned to eliminate duplicates Z: 44 32.971 2.179 0.545 0.588 0.953 0.558 CB 1.441 44 residues pruned to eliminate duplicates Z: 8 8.151 2.104 1.098 0.397 0.857 0.571 CB 0.908 8 residues pruned to eliminate duplicates Z: 42 38.510 2.262 0.623 0.618 0.951 0.683 CB 1.540 42 residues pruned to eliminate duplicates Z: 60 50.481 2.312 0.650 0.563 0.983 0.593 CB 1.649 60 residues pruned to eliminate duplicates Z: 63 48.629 2.306 0.688 0.526 0.952 0.613 CB 1.625 63 residues pruned to eliminate duplicates Z: 46 31.821 2.166 0.709 0.538 0.867 0.556 CB 1.424 46 residues pruned to eliminate duplicates Z: 115 52.495 2.211 0.605 0.527 0.912 0.614 CB 1.479 115 residues pruned to eliminate duplicates Z: 75 48.938 2.218 0.616 0.567 0.986 0.662 CB 1.508 75 residues pruned to eliminate duplicates Z: 112 49.157 2.198 0.528 0.509 0.937 0.595 CB 1.470 112 residues pruned to eliminate duplicates Z: 60 47.643 2.309 0.732 0.561 0.915 0.661 CB 1.597 60 residues pruned to eliminate duplicates Z: 22 29.429 2.408 0.660 0.464 0.905 0.524 CA 1.842 22 residues pruned to eliminate duplicates Z: 139 71.988 2.227 0.869 0.584 0.906 0.630 CB 1.500 139 residues pruned to eliminate duplicates Z: 65 47.029 2.290 0.685 0.556 0.922 0.625 CB 1.566 65 residues pruned to eliminate duplicates Z: 12 17.886 2.408 0.669 0.399 0.909 0.545 CB 1.641 12 residues pruned to eliminate duplicates Z: 61 43.563 2.267 0.650 0.518 0.933 0.600 CB 1.581 61 residues pruned to eliminate duplicates Z: 29 29.913 2.327 0.809 0.387 0.893 0.536 CB 1.696 29 residues pruned to eliminate duplicates Z: 25 32.868 2.402 0.753 0.523 0.917 0.625 CB 1.699 25 residues pruned to eliminate duplicates Z: 21 32.589 2.488 0.801 0.460 0.900 0.600 CB 1.881 21 residues pruned to eliminate duplicates Z: 26 24.272 2.301 0.581 0.416 0.880 0.560 CB 1.655 26 residues pruned to eliminate duplicates Z: 39 24.575 2.060 0.624 0.425 0.921 0.500 CB 1.399 39 residues pruned to eliminate duplicates Z: 28 31.197 2.381 0.657 0.449 0.963 0.593 CB 1.666 28 residues pruned to eliminate duplicates Z: 26 36.555 2.445 0.839 0.484 0.960 0.640 CB 1.721 26 residues pruned to eliminate duplicates Z: 41 30.882 2.143 0.642 0.474 0.975 0.550 CB 1.462 41 residues pruned to eliminate duplicates Z: 26 30.501 2.403 0.871 0.471 0.920 0.640 CB 1.520 26 residues pruned to eliminate duplicates Z: 40 36.041 2.150 0.746 0.503 0.949 0.513 CB 1.616 40 residues pruned to eliminate duplicates Z: 63 50.414 2.334 0.757 0.595 0.919 0.645 CB 1.552 63 residues pruned to eliminate duplicates Z: 9 18.972 2.256 0.821 0.665 0.875 0.750 CA 1.602 9 residues pruned to eliminate duplicates Z: 39 34.353 2.120 0.865 0.487 0.947 0.632 CB 1.508 39 residues pruned to eliminate duplicates Z: 10 8.706 1.811 0.590 0.408 0.778 0.444 CA 1.426 10 residues pruned to eliminate duplicates Z: 26 42.026 2.396 0.963 0.529 1.000 0.640 CB 1.737 26 residues pruned to eliminate duplicates Z: 98 44.664 2.133 0.603 0.528 0.887 0.536 CB 1.455 98 residues pruned to eliminate duplicates Z: 48 30.066 2.019 0.589 0.496 0.979 0.574 CB 1.402 48 residues pruned to eliminate duplicates Z: 42 25.008 1.981 0.611 0.499 0.927 0.488 CB 1.322 42 residues pruned to eliminate duplicates Z: 45 29.672 2.107 0.534 0.503 0.977 0.500 CB 1.412 45 residues pruned to eliminate duplicates Z: 55 29.483 2.078 0.562 0.471 0.926 0.500 CB 1.375 55 residues pruned to eliminate duplicates Z: 49 28.039 2.103 0.586 0.485 0.896 0.479 CB 1.375 49 residues pruned to eliminate duplicates Z: 40 26.984 2.105 0.605 0.526 0.923 0.487 CB 1.350 40 residues pruned to eliminate duplicates Z: 73 46.521 2.211 0.767 0.541 0.944 0.514 CB 1.427 73 residues pruned to eliminate duplicates Z: 51 24.619 2.087 0.444 0.437 0.880 0.440 CB 1.401 51 residues pruned to eliminate duplicates Z: 50 30.158 2.016 0.577 0.520 0.959 0.490 CB 1.386 50 residues pruned to eliminate duplicates Z: 130 58.971 2.220 0.657 0.563 0.907 0.620 CB 1.464 130 residues pruned to eliminate duplicates Z: 49 23.332 2.035 0.524 0.459 0.833 0.396 CB 1.359 49 residues pruned to eliminate duplicates Z: 33 16.888 2.002 0.487 0.456 0.781 0.531 CB 1.343 33 residues pruned to eliminate duplicates Z: 52 27.509 2.107 0.532 0.461 0.902 0.529 CB 1.376 52 residues pruned to eliminate duplicates Z: 13 11.390 1.827 0.481 0.572 0.917 0.500 CB 1.237 13 residues pruned to eliminate duplicates Z: 52 31.210 2.084 0.637 0.460 0.941 0.529 CB 1.418 52 residues pruned to eliminate duplicates Z: 25 17.372 1.961 0.607 0.569 0.917 0.583 CB 1.149 25 residues pruned to eliminate duplicates Z: 45 24.439 1.966 0.593 0.477 0.909 0.545 CB 1.325 45 residues pruned to eliminate duplicates Z: 29 17.366 2.030 0.532 0.440 0.821 0.571 CB 1.367 29 residues pruned to eliminate duplicates Z: 52 25.143 2.018 0.558 0.450 0.882 0.412 CB 1.337 52 residues pruned to eliminate duplicates Z: 106 52.136 2.183 0.653 0.528 0.933 0.581 CB 1.469 106 residues pruned to eliminate duplicates Z: 50 26.069 2.104 0.555 0.443 0.878 0.469 CB 1.375 50 residues pruned to eliminate duplicates Z: 46 29.371 2.067 0.567 0.486 0.933 0.444 CB 1.470 46 residues pruned to eliminate duplicates Z: 39 29.331 2.043 0.800 0.541 0.921 0.605 CB 1.350 39 residues pruned to eliminate duplicates Z: 37 24.223 1.990 0.639 0.451 0.944 0.556 CB 1.379 37 residues pruned to eliminate duplicates Z: 52 28.784 2.107 0.552 0.457 0.941 0.451 CB 1.368 52 residues pruned to eliminate duplicates Z: 46 29.083 2.088 0.586 0.521 0.956 0.533 CB 1.342 46 residues pruned to eliminate duplicates Z: 42 23.159 2.045 0.523 0.437 0.902 0.512 CB 1.372 42 residues pruned to eliminate duplicates Z: 29 21.245 2.002 0.550 0.487 0.929 0.607 CB 1.411 29 residues pruned to eliminate duplicates Z: 37 29.104 2.085 0.699 0.515 0.944 0.417 CB 1.428 37 residues pruned to eliminate duplicates Z: 86 39.800 2.130 0.578 0.535 0.871 0.518 CB 1.425 86 residues pruned to eliminate duplicates Z: 49 26.365 2.072 0.537 0.473 0.896 0.479 CB 1.370 49 residues pruned to eliminate duplicates Z: 52 28.301 2.082 0.573 0.466 0.902 0.412 CB 1.388 52 residues pruned to eliminate duplicates Z: 27 12.174 2.001 0.623 0.300 0.731 0.308 CB 1.257 27 residues pruned to eliminate duplicates Z: 38 29.516 2.113 0.656 0.548 0.946 0.459 CB 1.399 38 residues pruned to eliminate duplicates Z: 50 27.692 2.100 0.550 0.456 0.918 0.469 CB 1.384 50 residues pruned to eliminate duplicates Z: 37 26.926 2.298 0.722 0.375 0.806 0.472 CB 1.610 37 residues pruned to eliminate duplicates Z: 17 7.383 1.833 0.329 0.167 0.750 0.438 CB 1.516 17 residues pruned to eliminate duplicates Z: 18 12.640 2.014 0.462 0.376 0.824 0.353 CB 1.443 18 residues pruned to eliminate duplicates Z: 48 32.325 2.107 0.636 0.534 0.936 0.574 CB 1.413 48 residues pruned to eliminate duplicates Z: 52 27.731 2.049 0.629 0.492 0.902 0.471 CB 1.300 52 residues pruned to eliminate duplicates Z: 42 24.601 2.049 0.555 0.479 0.902 0.561 CB 1.365 42 residues pruned to eliminate duplicates Z: 8 6.420 1.790 0.673 0.306 0.714 0.286 CB 1.408 8 residues pruned to eliminate duplicates Z: 8 3.212 1.913 0.319 0.210 0.571 0.286 CB 1.185 8 residues pruned to eliminate duplicates Z: 7 6.001 2.070 0.583 0.213 0.667 0.333 CB 1.573 7 residues pruned to eliminate duplicates Z: 74 44.901 2.207 0.653 0.571 0.904 0.603 CB 1.487 74 residues pruned to eliminate duplicates Z: 39 36.809 2.239 0.738 0.632 0.895 0.684 CB 1.516 39 residues pruned to eliminate duplicates Z: 99 50.986 2.191 0.679 0.545 0.888 0.643 CB 1.510 99 residues pruned to eliminate duplicates Z: 89 47.486 2.196 0.660 0.565 0.886 0.591 CB 1.472 89 residues pruned to eliminate duplicates Z: 127 72.807 2.318 0.810 0.559 0.913 0.675 CB 1.599 127 residues pruned to eliminate duplicates Z: 86 56.348 2.294 0.729 0.613 0.906 0.659 CB 1.529 86 residues pruned to eliminate duplicates Z: 39 39.822 2.298 0.767 0.649 0.895 0.711 CB 1.548 39 residues pruned to eliminate duplicates Z: 39 35.817 2.282 0.701 0.614 0.868 0.711 CB 1.547 39 residues pruned to eliminate duplicates Z: 39 39.617 2.283 0.771 0.629 0.895 0.711 CB 1.574 39 residues pruned to eliminate duplicates Z: 39 40.617 2.259 0.789 0.682 0.842 0.658 CB 1.638 39 residues pruned to eliminate duplicates Z: 95 51.511 2.170 0.750 0.565 0.926 0.649 CB 1.420 95 residues pruned to eliminate duplicates Z: 49 38.852 2.295 0.696 0.555 0.875 0.729 CB 1.560 49 residues pruned to eliminate duplicates Z: 152 62.802 2.222 0.646 0.546 0.887 0.550 CB 1.506 152 residues pruned to eliminate duplicates Z: 86 53.127 2.194 0.784 0.579 0.929 0.588 CB 1.468 86 residues pruned to eliminate duplicates Z: 50 40.009 2.273 0.786 0.557 0.857 0.694 CB 1.555 50 residues pruned to eliminate duplicates Z: 41 40.073 2.331 0.753 0.629 0.875 0.600 CB 1.570 41 residues pruned to eliminate duplicates Z: 45 46.289 2.327 0.907 0.615 0.909 0.682 CB 1.552 45 residues pruned to eliminate duplicates Z: 31 48.204 2.257 0.982 0.804 0.967 0.533 CB 1.561 31 residues pruned to eliminate duplicates Z: 48 39.469 2.284 0.912 0.551 0.830 0.489 CB 1.512 48 residues pruned to eliminate duplicates Z: 39 41.290 2.297 0.956 0.626 0.868 0.500 CB 1.525 39 residues pruned to eliminate duplicates Z: 108 65.362 2.309 0.718 0.570 0.925 0.542 CB 1.609 108 residues pruned to eliminate duplicates Z: 78 64.531 2.323 0.896 0.666 0.909 0.597 CB 1.574 78 residues pruned to eliminate duplicates Z: 47 42.946 2.235 0.970 0.574 0.891 0.370 CB 1.502 47 residues pruned to eliminate duplicates Z: 83 52.499 2.185 0.787 0.601 0.939 0.524 CB 1.437 83 residues pruned to eliminate duplicates Z: 38 45.494 2.292 1.041 0.663 0.919 0.459 CB 1.495 38 residues pruned to eliminate duplicates Z: 51 42.456 2.233 0.967 0.556 0.860 0.500 CB 1.506 51 residues pruned to eliminate duplicates Z: 40 42.291 2.197 1.035 0.627 0.923 0.385 CB 1.457 40 residues pruned to eliminate duplicates Z: 54 46.134 2.215 1.017 0.574 0.868 0.434 CB 1.521 54 residues pruned to eliminate duplicates Z: 39 46.631 2.279 1.058 0.642 0.921 0.395 CB 1.532 39 residues pruned to eliminate duplicates Z: 106 74.009 2.339 0.919 0.578 0.933 0.562 CB 1.600 111 residues pruned to eliminate duplicates Z: 23 60.280 2.373 1.321 0.960 1.000 0.318 CB 1.598 23 residues pruned to eliminate duplicates Z: 50 49.049 2.256 0.998 0.602 0.939 0.449 CB 1.502 50 residues pruned to eliminate duplicates Z: 94 53.122 2.190 0.823 0.552 0.925 0.559 CB 1.419 94 residues pruned to eliminate duplicates Z: 78 57.666 2.252 0.839 0.642 0.909 0.571 CB 1.528 78 residues pruned to eliminate duplicates Z: 48 45.641 2.298 1.027 0.577 0.872 0.383 CB 1.521 48 residues pruned to eliminate duplicates Z: 40 43.598 2.266 0.825 0.648 0.949 0.487 CB 1.549 40 residues pruned to eliminate duplicates Z: 7 5.699 1.874 0.333 0.391 0.833 0.167 N 1.255 7 residues pruned to eliminate duplicates Z: 109 67.017 2.293 0.819 0.561 0.917 0.537 CB 1.589 109 residues pruned to eliminate duplicates Z: 8 5.174 1.817 0.383 0.245 0.857 0.429 CB 1.219 8 residues pruned to eliminate duplicates Z: 7 8.178 1.965 0.521 0.275 1.000 0.500 CA 1.441 7 residues pruned to eliminate duplicates Z: 41 29.208 2.090 0.644 0.538 0.925 0.550 CB 1.400 41 residues pruned to eliminate duplicates Z: 35 37.353 2.239 0.580 0.674 0.941 0.647 CB 1.638 35 residues pruned to eliminate duplicates Z: 44 41.682 2.296 0.704 0.619 0.907 0.651 CB 1.601 44 residues pruned to eliminate duplicates Z: 43 42.584 2.293 0.810 0.653 0.905 0.714 CB 1.518 43 residues pruned to eliminate duplicates Z: 44 42.373 2.268 0.716 0.612 0.953 0.721 CB 1.566 44 residues pruned to eliminate duplicates Z: 64 62.328 2.366 0.845 0.590 0.968 0.714 CB 1.705 64 residues pruned to eliminate duplicates Z: 6 8.057 2.018 0.889 0.244 0.800 0.400 CA 1.587 6 residues pruned to eliminate duplicates Z: 38 34.401 2.227 0.681 0.640 0.892 0.649 CB 1.486 38 residues pruned to eliminate duplicates Z: 40 38.375 2.196 0.748 0.621 0.949 0.667 CB 1.505 40 residues pruned to eliminate duplicates Z: 61 50.369 2.339 0.758 0.542 0.917 0.617 CB 1.655 61 residues pruned to eliminate duplicates Z: 61 43.674 2.252 0.741 0.534 0.950 0.717 CB 1.464 61 residues pruned to eliminate duplicates Z: 29 32.798 2.223 0.707 0.628 0.893 0.679 CB 1.622 29 residues pruned to eliminate duplicates Z: 64 54.685 2.365 0.698 0.558 0.984 0.683 CB 1.647 64 residues pruned to eliminate duplicates Z: 34 38.426 2.332 0.732 0.650 0.970 0.636 CB 1.485 34 residues pruned to eliminate duplicates Z: 38 42.551 2.212 0.861 0.618 1.000 0.649 CB 1.520 38 residues pruned to eliminate duplicates Z: 34 44.433 2.340 0.780 0.666 0.970 0.727 CB 1.642 34 residues pruned to eliminate duplicates Z: 32 47.101 2.372 0.831 0.700 1.000 0.710 CB 1.623 32 residues pruned to eliminate duplicates Z: 64 48.968 2.312 0.615 0.575 0.968 0.619 CB 1.588 64 residues pruned to eliminate duplicates Z: 41 26.998 2.173 0.606 0.523 0.875 0.600 CB 1.366 41 residues pruned to eliminate duplicates Z: 66 51.532 2.305 0.694 0.509 0.985 0.600 CB 1.648 66 residues pruned to eliminate duplicates Z: 33 44.575 2.372 0.789 0.698 0.969 0.750 CB 1.600 33 residues pruned to eliminate duplicates Z: 33 44.540 2.335 0.812 0.707 0.969 0.719 CB 1.592 33 residues pruned to eliminate duplicates Z: 118 57.080 2.185 0.782 0.573 0.906 0.504 CB 1.395 118 residues pruned to eliminate duplicates Z: 59 46.671 2.279 0.756 0.541 0.897 0.603 CB 1.640 28 residues pruned to eliminate duplicates Z: 19 32.779 2.356 0.467 0.908 1.000 0.556 CB 1.588 19 residues pruned to eliminate duplicates Z: 64 53.088 2.348 0.741 0.559 0.952 0.651 CB 1.622 64 residues pruned to eliminate duplicates Z: 37 40.046 2.241 0.811 0.663 0.972 0.639 CB 1.455 37 residues pruned to eliminate duplicates Z: 35 34.023 2.276 0.643 0.673 0.941 0.618 CB 1.413 35 residues pruned to eliminate duplicates Z: 38 37.397 2.253 0.751 0.566 0.892 0.541 CB 1.640 30 residues pruned to eliminate duplicates Z: 19 35.575 2.345 0.635 0.889 0.944 0.778 CB 1.666 19 residues pruned to eliminate duplicates Z: 51 44.984 2.352 0.679 0.602 0.940 0.660 CB 1.554 43 residues pruned to eliminate duplicates Z: 25 28.375 2.246 0.664 0.764 0.875 0.625 CB 1.401 25 residues pruned to eliminate duplicates Z: 64 51.744 2.320 0.772 0.531 0.921 0.556 CB 1.671 51 residues pruned to eliminate duplicates Z: 6 7.735 2.009 0.634 0.650 1.000 1.000 CB 0.916 6 residues pruned to eliminate duplicates Z: 34 34.937 2.358 0.690 0.443 0.970 0.636 CB 1.669 34 residues pruned to eliminate duplicates Z: 64 58.676 2.384 0.783 0.584 0.968 0.635 CB 1.657 65 residues pruned to eliminate duplicates Z: 6 2.530 1.605 0.667 0.106 0.800 0.400 CA 0.872 Z: 6 6.635 1.556 0.632 0.469 1.000 0.600 N 1.206 Z: 7 6.517 1.588 0.552 0.518 0.833 0.500 N 1.273 5 residues pruned to eliminate duplicates Z: 6 11.616 2.084 0.910 0.330 1.000 0.600 CB 1.573 Z: 6 8.403 2.012 0.609 0.364 1.000 0.600 CA 1.344 12 residues pruned to eliminate duplicates Z: 19 20.387 2.399 0.566 0.437 0.833 0.611 CB 1.637 33 residues pruned to eliminate duplicates Z: 30 32.333 2.257 0.755 0.435 0.931 0.655 CB 1.741 30 residues pruned to eliminate duplicates Z: 8 9.474 1.773 0.997 0.412 0.857 0.571 N 1.294 8 residues pruned to eliminate duplicates Z: 25 40.519 2.410 0.850 0.527 1.000 0.708 CB 1.806 25 residues pruned to eliminate duplicates Z: 7 5.010 1.911 0.523 0.306 0.667 0.333 CA 1.307 7 residues pruned to eliminate duplicates Z: 66 48.392 2.294 0.642 0.555 0.969 0.569 CB 1.558 66 residues pruned to eliminate duplicates Z: 28 23.483 2.199 0.675 0.403 0.852 0.593 CB 1.595 28 residues pruned to eliminate duplicates Z: 14 20.714 2.182 0.767 0.488 0.923 0.538 CA 1.633 13 residues pruned to eliminate duplicates Z: 6 2.190 1.317 0.910 0.365 0.800 0.400 C 0.563 6 residues pruned to eliminate duplicates Z: 25 37.061 2.376 0.902 0.527 0.917 0.667 CA 1.778 25 residues pruned to eliminate duplicates Z: 26 43.535 2.419 1.035 0.527 0.960 0.680 CA 1.794 26 residues pruned to eliminate duplicates Z: 25 33.650 2.330 0.960 0.515 0.875 0.667 CA 1.694 25 residues pruned to eliminate duplicates Z: 39 21.111 1.955 0.639 0.444 0.895 0.474 CB 1.266 39 residues pruned to eliminate duplicates Z: 22 13.307 1.792 0.455 0.456 0.952 0.667 CB 1.223 22 residues pruned to eliminate duplicates Z: 74 34.732 1.967 0.601 0.558 0.904 0.616 CB 1.350 74 residues pruned to eliminate duplicates Z: 30 19.306 1.898 0.491 0.430 0.966 0.586 CB 1.410 30 residues pruned to eliminate duplicates Z: 41 17.023 1.779 0.604 0.462 0.850 0.525 CB 1.154 41 residues pruned to eliminate duplicates Z: 30 18.075 1.877 0.562 0.481 0.931 0.552 CB 1.254 30 residues pruned to eliminate duplicates Z: 43 18.626 1.884 0.522 0.417 0.881 0.452 CB 1.241 43 residues pruned to eliminate duplicates Z: 41 18.934 1.873 0.598 0.416 0.875 0.425 CB 1.248 41 residues pruned to eliminate duplicates Z: 35 18.912 1.914 0.539 0.419 0.912 0.441 CB 1.315 35 residues pruned to eliminate duplicates Z: 34 18.889 1.947 0.588 0.430 0.879 0.515 CB 1.302 34 residues pruned to eliminate duplicates Z: 41 22.457 1.922 0.664 0.445 0.900 0.500 CB 1.305 41 residues pruned to eliminate duplicates Z: 19 14.869 2.089 0.691 0.414 0.833 0.500 CB 1.302 19 residues pruned to eliminate duplicates Z: 41 21.136 1.923 0.630 0.449 0.850 0.500 CB 1.321 41 residues pruned to eliminate duplicates Z: 42 20.265 1.916 0.601 0.405 0.878 0.488 CB 1.299 42 residues pruned to eliminate duplicates Z: 40 19.910 1.881 0.622 0.442 0.872 0.462 CB 1.273 40 residues pruned to eliminate duplicates Z: 40 21.170 1.916 0.625 0.446 0.897 0.513 CB 1.282 40 residues pruned to eliminate duplicates Z: 27 17.764 1.924 0.630 0.460 0.885 0.654 CB 1.308 27 residues pruned to eliminate duplicates Z: 43 20.347 1.883 0.550 0.472 0.905 0.500 CB 1.224 43 residues pruned to eliminate duplicates Z: 41 19.785 1.902 0.602 0.436 0.850 0.475 CB 1.291 41 residues pruned to eliminate duplicates Z: 35 17.774 1.832 0.581 0.486 0.912 0.471 CB 1.171 35 residues pruned to eliminate duplicates Z: 38 21.353 1.955 0.567 0.470 0.919 0.514 CB 1.286 38 residues pruned to eliminate duplicates Z: 42 19.984 1.901 0.610 0.446 0.854 0.439 CB 1.262 42 residues pruned to eliminate duplicates Z: 30 19.575 2.052 0.730 0.395 0.862 0.414 CB 1.328 30 residues pruned to eliminate duplicates Z: 40 20.687 1.944 0.599 0.455 0.872 0.462 CB 1.280 40 residues pruned to eliminate duplicates Z: 23 13.108 1.938 0.713 0.298 0.818 0.455 CB 1.290 9 residues pruned to eliminate duplicates Z: 6 4.569 1.716 0.704 0.224 1.000 0.600 CA 0.966 6 residues pruned to eliminate duplicates Z: 40 19.814 1.934 0.513 0.418 0.897 0.487 CB 1.316 40 residues pruned to eliminate duplicates Z: 35 18.150 1.926 0.463 0.446 0.912 0.588 CB 1.281 35 residues pruned to eliminate duplicates Z: 43 17.159 1.857 0.517 0.383 0.857 0.333 CB 1.242 43 residues pruned to eliminate duplicates Z: 36 18.615 1.915 0.643 0.463 0.857 0.543 CB 1.212 36 residues pruned to eliminate duplicates Z: 21 13.137 2.020 0.472 0.483 0.800 0.550 CB 1.255 21 residues pruned to eliminate duplicates Z: 37 18.369 1.928 0.496 0.467 0.889 0.528 CB 1.235 37 residues pruned to eliminate duplicates Z: 15 11.110 1.883 0.598 0.381 0.857 0.357 CB 1.306 15 residues pruned to eliminate duplicates Z: 6 3.662 1.869 0.024 0.371 0.800 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 11 6.826 1.809 0.521 0.327 0.800 0.500 CB 1.186 11 residues pruned to eliminate duplicates Z: 8 3.325 1.667 0.338 0.208 0.571 0.286 CA 1.392 8 residues pruned to eliminate duplicates Z: 38 37.058 2.153 0.711 0.671 0.919 0.703 CB 1.537 38 residues pruned to eliminate duplicates Z: 86 38.314 2.008 0.542 0.568 0.929 0.612 CB 1.352 87 residues pruned to eliminate duplicates Z: 6 4.602 1.678 0.773 0.272 0.800 0.600 CA 1.120 6 residues pruned to eliminate duplicates Z: 62 30.784 2.030 0.577 0.518 0.918 0.623 CB 1.317 62 residues pruned to eliminate duplicates Z: 30 30.645 2.220 0.655 0.635 0.931 0.724 CB 1.466 30 residues pruned to eliminate duplicates Z: 24 30.084 2.210 0.720 0.712 0.913 0.739 CB 1.492 24 residues pruned to eliminate duplicates Z: 37 36.427 2.180 0.623 0.693 0.944 0.694 CB 1.523 37 residues pruned to eliminate duplicates Z: 38 34.325 2.172 0.620 0.653 0.919 0.730 CB 1.514 38 residues pruned to eliminate duplicates Z: 50 39.715 2.158 0.755 0.657 0.898 0.694 CB 1.441 50 residues pruned to eliminate duplicates Z: 45 31.315 2.069 0.684 0.583 0.932 0.750 CB 1.343 45 residues pruned to eliminate duplicates Z: 38 29.791 2.061 0.785 0.604 0.811 0.622 CB 1.488 38 residues pruned to eliminate duplicates Z: 25 36.769 2.232 0.944 0.683 0.917 0.542 CB 1.596 25 residues pruned to eliminate duplicates Z: 99 54.987 2.129 0.637 0.611 0.959 0.633 CB 1.495 99 residues pruned to eliminate duplicates Z: 69 34.667 2.059 0.766 0.534 0.882 0.618 CB 1.267 69 residues pruned to eliminate duplicates Z: 39 33.161 2.134 0.743 0.633 0.895 0.579 CB 1.427 39 residues pruned to eliminate duplicates Z: 38 40.005 2.159 0.869 0.662 0.946 0.595 CB 1.482 38 residues pruned to eliminate duplicates Z: 46 33.065 2.087 0.640 0.605 0.889 0.556 CB 1.466 46 residues pruned to eliminate duplicates Z: 92 40.653 1.986 0.662 0.580 0.890 0.626 CB 1.344 92 residues pruned to eliminate duplicates Z: 41 35.712 2.084 0.827 0.667 0.900 0.600 CB 1.412 41 residues pruned to eliminate duplicates Z: 40 34.896 2.055 0.851 0.646 0.949 0.462 CB 1.351 40 residues pruned to eliminate duplicates Z: 37 37.880 2.176 0.881 0.670 0.917 0.528 CB 1.439 37 residues pruned to eliminate duplicates Z: 42 35.611 2.119 0.812 0.626 0.902 0.537 CB 1.425 42 residues pruned to eliminate duplicates Z: 39 37.726 2.131 0.947 0.641 0.921 0.368 CB 1.404 39 residues pruned to eliminate duplicates Z: 38 37.068 2.146 0.946 0.653 0.892 0.514 CB 1.419 38 residues pruned to eliminate duplicates Z: 36 41.447 2.185 1.011 0.690 0.914 0.457 CB 1.465 36 residues pruned to eliminate duplicates Z: 43 35.363 2.116 0.947 0.648 0.857 0.476 CB 1.346 43 residues pruned to eliminate duplicates Z: 39 39.881 2.131 1.057 0.653 0.921 0.474 CB 1.389 39 residues pruned to eliminate duplicates Z: 46 33.250 2.042 0.914 0.567 0.911 0.378 CB 1.305 46 residues pruned to eliminate duplicates Z: 24 20.744 1.925 0.722 0.616 0.957 0.435 CB 1.222 24 residues pruned to eliminate duplicates Z: 17 15.186 1.861 0.709 0.506 0.938 0.500 CB 1.265 17 residues pruned to eliminate duplicates Z: 47 35.206 2.069 0.959 0.560 0.913 0.413 CB 1.323 47 residues pruned to eliminate duplicates Z: 45 30.179 2.073 0.847 0.572 0.864 0.386 CB 1.283 45 residues pruned to eliminate duplicates Z: 55 30.356 2.020 0.776 0.490 0.870 0.519 CB 1.336 55 residues pruned to eliminate duplicates Z: 39 40.420 2.098 0.982 0.658 0.974 0.395 CB 1.399 39 residues pruned to eliminate duplicates Z: 52 34.500 2.024 0.828 0.573 0.902 0.353 CB 1.349 52 residues pruned to eliminate duplicates Z: 39 36.910 2.056 0.941 0.659 0.974 0.316 CB 1.330 39 residues pruned to eliminate duplicates Z: 62 44.516 2.182 0.719 0.563 0.934 0.656 CB 1.530 62 residues pruned to eliminate duplicates Z: 54 43.602 2.195 0.673 0.560 0.962 0.604 CB 1.599 54 residues pruned to eliminate duplicates Z: 61 47.227 2.243 0.598 0.590 0.967 0.717 CB 1.615 61 residues pruned to eliminate duplicates Z: 17 19.922 2.147 0.658 0.502 1.000 0.625 CB 1.397 17 residues pruned to eliminate duplicates Z: 41 33.272 2.117 0.646 0.629 0.950 0.625 CB 1.408 41 residues pruned to eliminate duplicates Z: 39 32.008 2.072 0.604 0.644 0.974 0.711 CB 1.403 39 residues pruned to eliminate duplicates Z: 62 45.873 2.196 0.645 0.570 0.984 0.656 CB 1.544 62 residues pruned to eliminate duplicates Z: 61 41.490 2.221 0.521 0.533 0.983 0.650 CB 1.561 61 residues pruned to eliminate duplicates Z: 34 34.609 2.111 0.753 0.661 1.000 0.758 CB 1.402 34 residues pruned to eliminate duplicates Z: 63 46.628 2.197 0.706 0.549 0.984 0.645 CB 1.532 63 residues pruned to eliminate duplicates Z: 59 42.968 2.174 0.625 0.566 0.983 0.655 CB 1.524 59 residues pruned to eliminate duplicates Z: 77 44.271 2.172 0.649 0.529 0.908 0.553 CB 1.517 77 residues pruned to eliminate duplicates Z: 40 32.668 2.125 0.582 0.657 0.974 0.718 CB 1.381 40 residues pruned to eliminate duplicates Z: 34 29.741 2.103 0.632 0.626 0.939 0.667 CB 1.426 34 residues pruned to eliminate duplicates Z: 57 43.612 2.216 0.614 0.570 0.964 0.679 CB 1.580 57 residues pruned to eliminate duplicates Z: 40 35.093 2.118 0.653 0.646 0.949 0.590 CB 1.476 40 residues pruned to eliminate duplicates Z: 52 37.549 2.146 0.611 0.550 0.961 0.686 CB 1.507 52 residues pruned to eliminate duplicates Z: 62 42.529 2.199 0.605 0.547 0.967 0.639 CB 1.523 62 residues pruned to eliminate duplicates Z: 63 44.980 2.182 0.644 0.567 0.984 0.629 CB 1.516 63 residues pruned to eliminate duplicates Z: 29 34.802 2.153 0.773 0.726 0.964 0.714 CB 1.456 29 residues pruned to eliminate duplicates Z: 42 32.125 2.093 0.670 0.620 0.976 0.707 CB 1.313 42 residues pruned to eliminate duplicates Z: 24 24.219 2.078 0.517 0.716 0.957 0.652 CB 1.377 24 residues pruned to eliminate duplicates Z: 61 44.090 2.202 0.662 0.571 0.967 0.717 CB 1.502 61 residues pruned to eliminate duplicates Z: 52 37.813 2.174 0.659 0.586 0.922 0.627 CB 1.467 52 residues pruned to eliminate duplicates Z: 35 29.425 2.089 0.536 0.676 0.971 0.735 CB 1.378 35 residues pruned to eliminate duplicates Z: 57 42.088 2.212 0.583 0.557 0.964 0.643 CB 1.576 57 residues pruned to eliminate duplicates Z: 63 42.069 2.150 0.654 0.537 0.968 0.597 CB 1.498 63 residues pruned to eliminate duplicates Z: 63 39.466 2.201 0.485 0.538 0.968 0.516 CB 1.527 63 residues pruned to eliminate duplicates Z: 30 29.291 2.285 0.621 0.475 0.931 0.655 CB 1.617 30 residues pruned to eliminate duplicates Z: 43 27.955 2.128 0.382 0.567 0.952 0.476 CB 1.444 43 residues pruned to eliminate duplicates Z: 53 35.020 2.118 0.640 0.551 0.904 0.577 CB 1.472 53 residues pruned to eliminate duplicates Z: 57 36.949 2.158 0.600 0.544 0.893 0.625 CB 1.534 57 residues pruned to eliminate duplicates Z: 60 42.361 2.207 0.610 0.535 0.966 0.627 CB 1.552 60 residues pruned to eliminate duplicates Z: 26 21.792 2.171 0.506 0.361 0.920 0.560 CA 1.684 26 residues pruned to eliminate duplicates Z: 24 25.254 2.236 0.775 0.411 0.913 0.609 CA 1.596 24 residues pruned to eliminate duplicates Z: 20 20.410 2.105 0.903 0.328 0.895 0.632 CA 1.579 20 residues pruned to eliminate duplicates Z: 39 25.616 2.088 0.578 0.466 0.947 0.553 CB 1.378 39 residues pruned to eliminate duplicates Z: 48 36.632 2.136 0.750 0.529 0.957 0.660 CB 1.451 48 residues pruned to eliminate duplicates Z: 24 30.223 2.336 0.740 0.479 0.913 0.609 CA 1.734 24 residues pruned to eliminate duplicates Z: 19 23.361 2.231 0.788 0.430 0.889 0.611 CA 1.669 19 residues pruned to eliminate duplicates Z: 46 28.603 2.070 0.602 0.501 0.911 0.467 CB 1.410 46 residues pruned to eliminate duplicates Z: 21 33.221 2.369 0.726 0.500 1.000 0.650 CB 1.817 21 residues pruned to eliminate duplicates Z: 48 32.287 2.074 0.679 0.500 0.979 0.596 CB 1.382 48 residues pruned to eliminate duplicates Z: 22 19.240 2.286 0.817 0.349 0.810 0.619 CB 1.471 22 residues pruned to eliminate duplicates Z: 22 21.362 2.196 0.612 0.328 0.905 0.571 CA 1.758 22 residues pruned to eliminate duplicates Z: 24 30.340 2.303 0.669 0.482 0.957 0.609 CB 1.751 24 residues pruned to eliminate duplicates Z: 24 32.072 2.308 0.888 0.493 0.913 0.565 CB 1.692 24 residues pruned to eliminate duplicates Z: 26 38.425 2.233 0.918 0.570 1.000 0.840 CB 1.677 26 residues pruned to eliminate duplicates Z: 25 36.738 2.279 0.858 0.557 1.000 0.792 CB 1.675 25 residues pruned to eliminate duplicates Z: 14 20.789 1.987 1.008 0.501 1.000 0.615 CB 1.443 14 residues pruned to eliminate duplicates Z: 29 14.490 1.973 0.494 0.333 0.893 0.464 CB 1.250 29 residues pruned to eliminate duplicates Z: 36 28.563 2.149 0.560 0.476 0.943 0.629 CB 1.565 36 residues pruned to eliminate duplicates Z: 63 42.220 2.174 0.528 0.577 0.968 0.661 CB 1.548 63 residues pruned to eliminate duplicates Z: 43 28.072 2.060 0.549 0.572 0.881 0.714 CB 1.436 43 residues pruned to eliminate duplicates Z: 18 15.019 2.005 0.492 0.498 0.824 0.588 CB 1.481 18 residues pruned to eliminate duplicates Z: 7 5.451 2.001 0.046 0.393 1.000 0.667 CB 1.191 7 residues pruned to eliminate duplicates Z: 11 14.107 2.020 0.682 0.561 0.900 0.700 CB 1.375 11 residues pruned to eliminate duplicates Z: 42 33.650 2.118 0.546 0.657 0.976 0.634 CB 1.422 42 residues pruned to eliminate duplicates Z: 7 6.576 1.531 0.431 0.865 1.000 0.667 CB 0.898 7 residues pruned to eliminate duplicates Z: 46 21.256 1.831 0.614 0.498 0.956 0.533 CB 1.125 46 residues pruned to eliminate duplicates Z: 8 6.822 1.413 0.724 0.825 1.000 0.714 CB 0.799 8 residues pruned to eliminate duplicates 449 residues left after pruning, divided into chains as follows: A: 297 B: 4 C: 148 CC for partial structure against native data = 45.21 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.490, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.570, Connect. = 0.774 for dens.mod. cycle 2 = 0.300, Contrast = 0.697, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.720, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.740, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.749, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.757, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.762, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.766, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 0.768, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2300 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: 60 46.003 2.293 0.761 0.545 0.915 0.627 CB 1.551 B: 19 28.562 2.337 0.368 0.888 0.944 0.722 CB 1.606 C: 10 26.723 2.293 1.162 0.687 1.000 1.000 CB 1.514 7 residues pruned to eliminate duplicates D: 20 28.782 2.325 0.315 0.886 0.947 0.789 CB 1.645 19 residues pruned to eliminate duplicates E: 39 26.773 2.160 0.588 0.448 0.895 0.579 CB 1.493 39 residues pruned to eliminate duplicates F: 46 31.781 2.112 0.629 0.468 0.978 0.467 CB 1.454 G: 9 9.351 2.066 0.396 0.666 0.750 0.500 CB 1.311 9 residues pruned to eliminate duplicates H: 61 39.558 2.205 0.628 0.494 0.933 0.517 CB 1.534 62 residues pruned to eliminate duplicates I: 101 59.131 2.264 0.830 0.561 0.890 0.530 CB 1.511 20 residues pruned to eliminate duplicates J: 38 28.483 2.109 0.612 0.547 0.946 0.595 CB 1.391 38 residues pruned to eliminate duplicates K: 40 25.942 2.051 0.702 0.420 0.897 0.538 CB 1.441 L: 23 40.845 2.355 0.766 0.959 1.000 0.909 CB 1.435 M: 19 33.876 2.305 0.586 0.876 0.944 0.667 CB 1.680 19 residues pruned to eliminate duplicates N: 27 39.439 2.144 0.923 0.919 0.962 0.808 CB 1.375 25 residues pruned to eliminate duplicates O: 18 35.134 2.359 0.637 0.870 0.941 0.647 CB 1.712 18 residues pruned to eliminate duplicates P: 31 28.145 2.378 0.719 0.412 0.833 0.533 CB 1.655 31 residues pruned to eliminate duplicates Q: 10 19.537 2.101 0.516 0.891 1.000 0.778 CB 1.469 R: 24 48.549 2.342 0.794 0.914 1.000 0.522 CB 1.704 24 residues pruned to eliminate duplicates S: 25 42.269 2.305 0.769 0.931 1.000 0.833 CB 1.478 26 residues pruned to eliminate duplicates T: 45 34.246 2.160 0.591 0.607 0.955 0.614 CB 1.421 45 residues pruned to eliminate duplicates U: 74 34.812 2.145 0.498 0.440 0.890 0.507 CB 1.515 74 residues pruned to eliminate duplicates V: 24 39.592 2.328 0.759 0.957 0.957 0.913 CB 1.447 24 residues pruned to eliminate duplicates W: 27 30.693 2.311 0.774 0.464 0.923 0.692 CB 1.650 27 residues pruned to eliminate duplicates X: 17 27.694 2.238 0.506 0.824 0.938 0.875 CB 1.655 17 residues pruned to eliminate duplicates Y: 31 31.449 2.365 0.762 0.461 0.933 0.700 CB 1.537 31 residues pruned to eliminate duplicates Z: 14 22.989 2.276 1.036 0.522 0.923 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 10 23.126 2.161 0.708 0.887 1.000 0.667 CB 1.505 10 residues pruned to eliminate duplicates Z: 25 45.056 2.360 0.649 0.920 1.000 0.917 CA 1.665 25 residues pruned to eliminate duplicates Z: 18 29.716 2.338 0.464 0.869 0.882 0.647 CB 1.742 18 residues pruned to eliminate duplicates Z: 26 42.428 2.373 1.042 0.544 1.000 0.640 CB 1.677 26 residues pruned to eliminate duplicates Z: 17 36.349 2.363 0.499 0.896 1.000 0.875 CB 1.837 17 residues pruned to eliminate duplicates Z: 61 49.102 2.316 0.699 0.552 0.950 0.583 CB 1.612 61 residues pruned to eliminate duplicates Z: 25 45.376 2.333 0.744 0.914 0.958 0.708 CA 1.680 25 residues pruned to eliminate duplicates Z: 19 26.816 2.328 0.377 0.892 0.889 0.611 CB 1.594 19 residues pruned to eliminate duplicates Z: 10 15.415 2.199 0.482 0.581 0.889 0.667 CA 1.640 10 residues pruned to eliminate duplicates Z: 26 53.158 2.263 1.009 0.936 1.000 0.600 CB 1.629 26 residues pruned to eliminate duplicates Z: 25 37.026 2.302 0.855 0.571 1.000 0.750 CB 1.652 23 residues pruned to eliminate duplicates Z: 18 31.517 2.362 0.514 0.848 0.882 0.706 CB 1.798 18 residues pruned to eliminate duplicates Z: 55 32.922 2.098 0.687 0.479 0.889 0.574 CB 1.454 50 residues pruned to eliminate duplicates Z: 22 37.916 2.257 0.705 0.941 0.952 0.857 CB 1.567 Z: 63 55.328 2.328 0.702 0.602 0.984 0.629 CB 1.635 56 residues pruned to eliminate duplicates Z: 23 45.026 2.284 0.795 0.937 1.000 0.591 CB 1.630 23 residues pruned to eliminate duplicates Z: 20 21.684 2.149 0.571 0.470 0.895 0.474 CB 1.697 20 residues pruned to eliminate duplicates Z: 48 33.386 2.133 0.623 0.563 0.957 0.553 CB 1.381 48 residues pruned to eliminate duplicates Z: 25 29.780 2.316 0.741 0.431 0.917 0.583 CB 1.767 25 residues pruned to eliminate duplicates Z: 8 23.012 2.252 0.713 0.884 1.000 0.571 CB 1.630 8 residues pruned to eliminate duplicates Z: 25 44.194 2.323 0.987 0.959 0.958 0.833 CB 1.398 25 residues pruned to eliminate duplicates Z: 26 45.842 2.272 0.842 0.962 1.000 0.800 CB 1.499 26 residues pruned to eliminate duplicates Z: 99 54.431 2.229 0.660 0.536 0.939 0.592 CB 1.528 99 residues pruned to eliminate duplicates Z: 25 30.181 2.221 0.536 0.901 0.958 0.917 CB 1.345 25 residues pruned to eliminate duplicates Z: 23 46.110 2.371 0.868 0.961 0.909 0.682 CA 1.671 23 residues pruned to eliminate duplicates Z: 92 35.596 2.076 0.564 0.463 0.846 0.571 CB 1.409 92 residues pruned to eliminate duplicates Z: 63 48.548 2.282 0.681 0.567 0.919 0.597 CB 1.638 63 residues pruned to eliminate duplicates Z: 19 26.256 2.082 0.488 0.848 0.944 0.889 CB 1.570 Z: 81 47.388 2.187 0.664 0.593 0.925 0.600 CB 1.440 87 residues pruned to eliminate duplicates Z: 25 53.133 2.339 1.002 0.923 0.958 0.583 CA 1.698 25 residues pruned to eliminate duplicates Z: 20 29.022 2.302 0.430 0.860 0.947 0.684 CB 1.569 20 residues pruned to eliminate duplicates Z: 25 56.042 2.351 0.971 0.929 1.000 0.542 CA 1.728 25 residues pruned to eliminate duplicates Z: 25 44.613 2.311 0.802 0.918 0.958 0.667 CB 1.609 25 residues pruned to eliminate duplicates Z: 10 21.682 2.147 0.571 0.908 1.000 0.889 CB 1.521 10 residues pruned to eliminate duplicates Z: 26 32.848 2.306 0.782 0.504 0.920 0.680 CB 1.730 26 residues pruned to eliminate duplicates Z: 8 14.712 2.084 0.289 0.901 1.000 0.857 CB 1.478 8 residues pruned to eliminate duplicates Z: 24 40.929 2.203 0.740 0.944 1.000 0.870 CB 1.543 22 residues pruned to eliminate duplicates Z: 19 27.589 2.309 0.433 0.903 0.944 0.667 CB 1.484 19 residues pruned to eliminate duplicates Z: 13 38.459 2.601 1.101 0.534 1.000 0.833 CB 1.965 13 residues pruned to eliminate duplicates Z: 29 33.219 2.273 0.959 0.471 0.821 0.607 CB 1.767 29 residues pruned to eliminate duplicates Z: 25 34.475 2.247 0.435 0.943 1.000 0.917 CA 1.512 25 residues pruned to eliminate duplicates Z: 17 37.810 2.402 0.621 0.898 0.938 0.625 CB 1.852 17 residues pruned to eliminate duplicates Z: 17 12.613 2.121 0.692 0.398 0.812 0.312 CB 1.205 17 residues pruned to eliminate duplicates Z: 23 43.537 2.337 0.669 0.921 1.000 0.727 CA 1.675 23 residues pruned to eliminate duplicates Z: 8 11.362 2.038 1.271 0.422 0.714 0.429 C 1.409 Z: 26 40.775 2.219 0.662 0.926 0.960 0.800 CA 1.615 26 residues pruned to eliminate duplicates Z: 20 28.556 2.133 0.572 0.864 0.947 0.789 CA 1.512 19 residues pruned to eliminate duplicates Z: 9 16.739 2.058 0.779 0.873 0.875 0.750 CB 1.345 9 residues pruned to eliminate duplicates Z: 25 56.491 2.351 1.136 0.929 0.958 0.500 CB 1.677 25 residues pruned to eliminate duplicates Z: 24 44.219 2.207 0.784 0.945 1.000 0.783 CB 1.621 24 residues pruned to eliminate duplicates Z: 84 46.873 2.204 0.660 0.568 0.904 0.614 CB 1.457 77 residues pruned to eliminate duplicates Z: 16 37.744 2.400 0.555 0.930 1.000 0.800 CB 1.827 16 residues pruned to eliminate duplicates Z: 20 48.705 2.464 0.928 0.951 0.947 0.789 CB 1.711 20 residues pruned to eliminate duplicates Z: 16 27.463 2.234 0.755 0.952 0.933 0.800 CB 1.335 16 residues pruned to eliminate duplicates Z: 15 20.156 2.236 0.862 0.448 0.857 0.643 CB 1.592 8 residues pruned to eliminate duplicates Z: 23 40.433 2.229 0.729 0.929 1.000 0.818 CB 1.565 23 residues pruned to eliminate duplicates Z: 12 29.269 2.489 0.939 0.557 0.909 0.727 CA 1.903 12 residues pruned to eliminate duplicates Z: 21 35.810 2.340 0.782 0.937 0.850 0.550 CA 1.572 21 residues pruned to eliminate duplicates Z: 24 32.479 2.415 0.611 0.506 0.957 0.609 CB 1.809 24 residues pruned to eliminate duplicates Z: 44 29.101 2.095 0.700 0.420 0.907 0.395 CB 1.493 44 residues pruned to eliminate duplicates Z: 61 36.149 2.211 0.612 0.536 0.850 0.583 CB 1.487 61 residues pruned to eliminate duplicates Z: 23 33.190 2.225 0.505 0.926 0.955 0.909 CB 1.552 23 residues pruned to eliminate duplicates Z: 24 38.233 2.162 0.728 0.946 0.957 0.913 CB 1.542 24 residues pruned to eliminate duplicates Z: 120 54.688 2.189 0.589 0.569 0.908 0.580 CB 1.485 120 residues pruned to eliminate duplicates Z: 51 40.500 2.137 0.806 0.546 1.000 0.600 CB 1.419 51 residues pruned to eliminate duplicates Z: 21 28.640 2.152 0.538 0.910 0.950 0.650 CB 1.444 21 residues pruned to eliminate duplicates Z: 21 48.200 2.372 0.881 0.951 1.000 0.450 CA 1.664 21 residues pruned to eliminate duplicates Z: 19 41.653 2.416 0.826 0.941 1.000 0.833 CB 1.544 19 residues pruned to eliminate duplicates Z: 24 34.416 2.316 0.585 0.956 0.957 0.913 CB 1.404 24 residues pruned to eliminate duplicates Z: 6 11.876 1.994 0.410 0.819 1.000 0.600 CB 1.432 6 residues pruned to eliminate duplicates Z: 25 53.040 2.348 0.911 0.923 1.000 0.875 CA 1.696 25 residues pruned to eliminate duplicates Z: 63 45.707 2.192 0.623 0.580 0.968 0.710 CB 1.561 35 residues pruned to eliminate duplicates Z: 61 46.567 2.265 0.689 0.559 0.917 0.583 CB 1.619 61 residues pruned to eliminate duplicates Z: 19 32.738 2.278 0.521 0.846 0.944 0.722 CB 1.751 19 residues pruned to eliminate duplicates Z: 39 20.026 1.904 0.582 0.465 0.868 0.500 CB 1.287 Z: 18 30.295 2.198 0.611 0.892 0.941 0.765 CB 1.583 18 residues pruned to eliminate duplicates Z: 10 13.083 2.145 0.612 0.582 0.889 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 6 10.590 1.995 0.236 0.801 1.000 0.600 CA 1.477 6 residues pruned to eliminate duplicates Z: 6 9.140 1.647 0.666 0.811 1.000 0.800 CA 1.136 Z: 34 34.929 2.205 0.814 0.501 0.970 0.667 CB 1.566 34 residues pruned to eliminate duplicates Z: 20 34.113 2.323 0.649 0.871 0.947 0.789 CB 1.573 20 residues pruned to eliminate duplicates Z: 20 11.482 1.930 0.613 0.278 0.789 0.263 CB 1.378 20 residues pruned to eliminate duplicates Z: 131 62.868 2.236 0.678 0.570 0.923 0.608 CB 1.488 132 residues pruned to eliminate duplicates Z: 26 35.738 2.096 0.750 0.918 0.960 0.840 CB 1.432 26 residues pruned to eliminate duplicates Z: 54 42.305 2.206 1.006 0.552 0.925 0.415 CB 1.350 54 residues pruned to eliminate duplicates Z: 16 34.301 2.285 1.252 0.920 0.933 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 26 22.797 2.036 0.554 0.617 1.000 0.600 CB 1.290 26 residues pruned to eliminate duplicates Z: 25 57.325 2.292 1.224 0.933 0.958 0.333 CB 1.672 25 residues pruned to eliminate duplicates Z: 33 36.523 2.381 0.849 0.502 0.938 0.625 CB 1.561 33 residues pruned to eliminate duplicates Z: 10 15.473 2.051 0.589 0.874 0.778 0.333 CB 1.481 10 residues pruned to eliminate duplicates Z: 60 42.914 2.217 0.622 0.538 0.949 0.678 CB 1.576 60 residues pruned to eliminate duplicates Z: 41 24.625 2.074 0.581 0.421 0.900 0.425 CB 1.432 41 residues pruned to eliminate duplicates Z: 17 34.301 2.387 0.670 0.899 0.938 0.562 CB 1.640 17 residues pruned to eliminate duplicates Z: 7 8.562 2.386 -0.074 0.886 0.833 0.667 CB 1.369 7 residues pruned to eliminate duplicates Z: 35 21.970 2.098 0.479 0.463 0.882 0.471 CB 1.429 35 residues pruned to eliminate duplicates Z: 55 37.538 2.237 0.593 0.584 0.907 0.648 CB 1.457 55 residues pruned to eliminate duplicates Z: 81 46.082 2.185 0.651 0.546 0.913 0.613 CB 1.496 81 residues pruned to eliminate duplicates Z: 22 32.833 2.414 0.900 0.453 0.905 0.619 CA 1.812 22 residues pruned to eliminate duplicates Z: 32 15.706 1.866 0.460 0.391 0.871 0.516 CB 1.334 22 residues pruned to eliminate duplicates Z: 57 27.955 2.074 0.515 0.463 0.875 0.500 CB 1.411 57 residues pruned to eliminate duplicates Z: 18 31.699 2.217 0.854 0.872 0.882 0.529 CB 1.545 18 residues pruned to eliminate duplicates Z: 29 33.026 2.369 0.759 0.466 0.929 0.643 CB 1.670 29 residues pruned to eliminate duplicates Z: 24 39.613 2.314 0.934 0.928 0.957 0.739 CB 1.351 24 residues pruned to eliminate duplicates Z: 9 17.748 2.080 0.921 0.892 0.875 0.875 CB 1.289 9 residues pruned to eliminate duplicates Z: 36 19.453 1.900 0.635 0.449 0.886 0.600 CB 1.260 36 residues pruned to eliminate duplicates Z: 17 27.140 2.338 0.440 0.926 0.938 0.688 CB 1.507 17 residues pruned to eliminate duplicates Z: 19 47.431 2.392 1.272 0.957 1.000 0.611 CB 1.412 19 residues pruned to eliminate duplicates Z: 19 30.894 2.234 0.437 0.870 1.000 0.778 CB 1.655 19 residues pruned to eliminate duplicates Z: 19 23.490 2.162 0.427 0.878 0.889 0.500 CB 1.465 19 residues pruned to eliminate duplicates Z: 22 48.874 2.272 1.142 0.951 1.000 0.667 CB 1.510 24 residues pruned to eliminate duplicates Z: 24 43.097 2.210 0.988 0.946 0.957 0.739 CB 1.478 22 residues pruned to eliminate duplicates Z: 26 37.895 2.215 0.832 0.946 1.000 0.720 CB 1.292 26 residues pruned to eliminate duplicates Z: 19 27.511 2.180 0.523 0.880 0.944 0.556 CB 1.499 19 residues pruned to eliminate duplicates Z: 15 18.895 2.078 0.881 0.577 0.857 0.643 CB 1.399 15 residues pruned to eliminate duplicates Z: 24 40.582 2.198 0.830 0.938 0.957 0.609 CB 1.530 24 residues pruned to eliminate duplicates Z: 10 14.180 2.005 0.308 0.881 1.000 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 38 21.632 1.970 0.577 0.491 0.892 0.486 CB 1.295 38 residues pruned to eliminate duplicates Z: 24 35.588 2.186 0.570 0.942 0.957 0.957 CB 1.568 24 residues pruned to eliminate duplicates Z: 31 15.844 1.898 0.469 0.402 0.867 0.500 CB 1.327 31 residues pruned to eliminate duplicates Z: 47 27.277 2.053 0.479 0.496 0.935 0.522 CB 1.422 96 residues pruned to eliminate duplicates Z: 17 25.166 2.182 0.339 0.901 1.000 0.812 CA 1.536 17 residues pruned to eliminate duplicates Z: 16 34.252 2.366 0.720 0.910 1.000 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 72 47.481 2.222 0.776 0.566 0.915 0.465 CB 1.462 72 residues pruned to eliminate duplicates Z: 62 37.692 2.152 0.533 0.553 0.934 0.590 CB 1.488 44 residues pruned to eliminate duplicates Z: 19 14.304 2.010 0.529 0.456 0.889 0.444 CB 1.292 Z: 37 37.034 2.216 0.591 0.738 0.944 0.806 CB 1.497 37 residues pruned to eliminate duplicates Z: 8 15.154 2.009 0.600 0.904 1.000 1.000 CB 1.270 8 residues pruned to eliminate duplicates Z: 29 17.966 1.885 0.602 0.448 0.893 0.464 CB 1.327 9 residues pruned to eliminate duplicates Z: 25 34.271 2.158 0.418 0.924 1.000 0.875 CA 1.605 25 residues pruned to eliminate duplicates Z: 45 20.197 1.908 0.546 0.423 0.841 0.409 CB 1.330 39 residues pruned to eliminate duplicates Z: 99 45.670 2.144 0.663 0.531 0.878 0.602 CB 1.431 99 residues pruned to eliminate duplicates Z: 27 33.043 2.232 0.824 0.487 0.962 0.654 CB 1.677 27 residues pruned to eliminate duplicates Z: 24 44.079 2.219 0.910 0.944 0.957 0.739 CB 1.570 24 residues pruned to eliminate duplicates Z: 25 42.564 2.296 0.901 0.958 0.958 0.875 CB 1.424 25 residues pruned to eliminate duplicates Z: 67 59.255 2.304 0.925 0.576 0.924 0.545 CB 1.654 67 residues pruned to eliminate duplicates Z: 24 35.125 2.166 0.600 0.923 0.957 0.957 CB 1.553 24 residues pruned to eliminate duplicates Z: 44 33.512 2.078 0.699 0.507 0.977 0.558 CB 1.471 89 residues pruned to eliminate duplicates Z: 25 38.641 2.439 0.799 0.541 0.958 0.708 CA 1.802 25 residues pruned to eliminate duplicates Z: 47 45.051 2.252 1.019 0.613 0.913 0.543 CB 1.437 47 residues pruned to eliminate duplicates Z: 9 6.716 2.093 -0.138 0.842 0.750 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 37 28.542 2.079 0.712 0.565 0.889 0.611 CB 1.412 37 residues pruned to eliminate duplicates Z: 19 31.241 2.335 0.385 0.878 0.944 0.722 CB 1.750 19 residues pruned to eliminate duplicates Z: 55 25.941 1.922 0.637 0.535 0.870 0.500 CB 1.245 55 residues pruned to eliminate duplicates Z: 8 10.656 2.223 0.804 0.477 0.714 0.571 CA 1.438 8 residues pruned to eliminate duplicates Z: 25 60.356 2.344 1.342 0.936 0.958 0.417 CB 1.631 25 residues pruned to eliminate duplicates Z: 19 33.639 2.319 0.557 0.901 1.000 0.556 CB 1.567 19 residues pruned to eliminate duplicates Z: 20 15.339 1.901 0.626 0.409 0.895 0.526 CB 1.399 20 residues pruned to eliminate duplicates Z: 25 54.392 2.283 1.197 0.941 0.958 0.333 CB 1.602 25 residues pruned to eliminate duplicates Z: 49 34.018 2.278 0.625 0.606 0.875 0.667 CB 1.370 49 residues pruned to eliminate duplicates Z: 7 15.472 2.114 1.052 0.358 1.000 0.500 CB 1.696 7 residues pruned to eliminate duplicates Z: 52 27.209 2.082 0.577 0.497 0.863 0.529 CB 1.349 52 residues pruned to eliminate duplicates Z: 19 37.973 2.336 0.700 0.913 1.000 0.667 CB 1.596 19 residues pruned to eliminate duplicates Z: 20 30.584 2.285 0.520 0.866 1.000 0.737 CB 1.479 20 residues pruned to eliminate duplicates Z: 49 42.842 2.238 0.986 0.610 0.917 0.396 CB 1.368 49 residues pruned to eliminate duplicates Z: 24 40.573 2.214 0.758 0.951 0.957 0.783 CB 1.566 24 residues pruned to eliminate duplicates Z: 19 22.803 2.038 0.390 0.855 0.944 0.722 CB 1.482 19 residues pruned to eliminate duplicates Z: 51 31.158 2.110 0.604 0.486 0.940 0.500 CB 1.405 51 residues pruned to eliminate duplicates Z: 24 45.000 2.205 1.015 0.942 0.957 0.522 CB 1.532 24 residues pruned to eliminate duplicates Z: 26 46.468 2.225 1.150 0.930 0.960 0.560 CB 1.415 26 residues pruned to eliminate duplicates Z: 20 26.753 2.136 0.430 0.855 1.000 0.526 CB 1.483 20 residues pruned to eliminate duplicates Z: 10 3.574 1.771 -0.286 0.236 0.889 0.333 O 1.442 Z: 26 37.353 2.227 0.478 0.919 1.000 0.920 CB 1.599 26 residues pruned to eliminate duplicates Z: 23 39.898 2.244 0.736 0.932 1.000 0.545 CB 1.525 23 residues pruned to eliminate duplicates Z: 7 10.578 2.292 0.012 0.875 1.000 1.000 CB 1.354 7 residues pruned to eliminate duplicates Z: 24 55.377 2.326 1.373 0.957 1.000 0.609 CB 1.436 24 residues pruned to eliminate duplicates Z: 26 58.831 2.247 1.512 0.965 0.960 0.480 CB 1.483 26 residues pruned to eliminate duplicates Z: 37 31.849 2.085 0.553 0.711 0.917 0.722 CB 1.476 37 residues pruned to eliminate duplicates Z: 24 34.965 2.319 0.613 0.958 0.957 0.826 CB 1.397 24 residues pruned to eliminate duplicates Z: 61 44.333 2.182 0.695 0.567 0.950 0.650 CB 1.526 21 residues pruned to eliminate duplicates Z: 35 37.942 2.285 0.647 0.615 0.971 0.588 CB 1.599 35 residues pruned to eliminate duplicates Z: 6 4.097 1.722 0.161 0.552 1.000 0.600 CB 0.871 6 residues pruned to eliminate duplicates Z: 25 42.094 2.177 0.774 0.963 1.000 0.708 CB 1.521 25 residues pruned to eliminate duplicates Z: 24 49.780 2.337 0.846 0.933 1.000 0.565 CB 1.679 24 residues pruned to eliminate duplicates Z: 33 25.357 1.995 0.678 0.463 0.969 0.375 CB 1.435 33 residues pruned to eliminate duplicates Z: 25 55.557 2.317 1.420 0.950 0.958 0.417 CB 1.456 25 residues pruned to eliminate duplicates Z: 57 41.590 2.184 0.606 0.568 0.946 0.661 CB 1.568 57 residues pruned to eliminate duplicates Z: 24 29.621 2.189 0.211 0.952 1.000 1.000 CB 1.605 24 residues pruned to eliminate duplicates Z: 33 29.741 2.052 0.718 0.554 0.969 0.688 CB 1.460 33 residues pruned to eliminate duplicates Z: 41 28.166 2.174 0.750 0.462 0.850 0.625 CB 1.431 41 residues pruned to eliminate duplicates Z: 9 3.021 1.745 0.062 0.202 0.625 0.250 CB 1.313 Z: 53 25.490 1.997 0.637 0.449 0.885 0.462 CB 1.287 53 residues pruned to eliminate duplicates Z: 25 57.535 2.328 1.260 0.944 1.000 0.583 CB 1.546 25 residues pruned to eliminate duplicates Z: 29 25.974 2.011 0.748 0.556 0.893 0.429 CB 1.481 29 residues pruned to eliminate duplicates Z: 76 43.834 2.220 0.714 0.579 0.880 0.653 CB 1.401 76 residues pruned to eliminate duplicates Z: 16 36.624 2.340 0.676 0.890 1.000 0.867 CB 1.734 16 residues pruned to eliminate duplicates Z: 6 7.728 1.545 0.999 0.776 1.000 0.800 CB 0.878 6 residues pruned to eliminate duplicates Z: 26 39.554 2.382 0.908 0.520 0.960 0.680 CB 1.778 26 residues pruned to eliminate duplicates Z: 19 26.975 2.308 0.830 0.445 0.944 0.667 CB 1.687 19 residues pruned to eliminate duplicates Z: 111 51.994 2.178 0.585 0.527 0.936 0.645 CB 1.494 111 residues pruned to eliminate duplicates Z: 6 8.295 1.700 0.451 0.874 1.000 0.400 CB 1.095 6 residues pruned to eliminate duplicates Z: 9 6.207 1.761 0.225 0.442 1.000 0.625 CB 1.080 Z: 46 31.013 2.118 0.602 0.491 0.933 0.467 CB 1.474 46 residues pruned to eliminate duplicates Z: 6 10.198 1.807 0.885 0.770 1.000 0.600 CA 1.054 6 residues pruned to eliminate duplicates Z: 19 11.420 1.822 0.558 0.414 0.944 0.500 CB 1.098 19 residues pruned to eliminate duplicates Z: 16 25.219 2.187 0.609 0.784 0.800 0.733 CB 1.801 16 residues pruned to eliminate duplicates Z: 58 44.387 2.254 0.726 0.528 0.877 0.649 CB 1.676 22 residues pruned to eliminate duplicates Z: 83 46.467 2.204 0.689 0.547 0.915 0.622 CB 1.439 83 residues pruned to eliminate duplicates Z: 77 61.667 2.340 0.820 0.645 0.908 0.553 CB 1.597 67 residues pruned to eliminate duplicates Z: 17 33.943 2.225 0.596 0.920 1.000 0.875 CB 1.683 17 residues pruned to eliminate duplicates Z: 50 28.738 2.070 0.575 0.486 0.918 0.531 CB 1.390 50 residues pruned to eliminate duplicates Z: 32 25.685 1.977 0.818 0.464 0.968 0.452 CB 1.376 32 residues pruned to eliminate duplicates Z: 25 41.824 2.281 0.769 0.938 1.000 0.875 CB 1.471 25 residues pruned to eliminate duplicates Z: 46 19.972 1.998 0.481 0.395 0.844 0.444 CB 1.332 46 residues pruned to eliminate duplicates Z: 25 31.274 2.115 0.330 0.934 1.000 0.917 CB 1.583 25 residues pruned to eliminate duplicates Z: 25 49.202 2.295 1.120 0.945 0.958 0.708 CB 1.491 25 residues pruned to eliminate duplicates Z: 33 25.124 1.985 0.706 0.445 0.938 0.406 CB 1.481 33 residues pruned to eliminate duplicates Z: 26 31.045 2.201 0.464 0.930 0.960 0.760 CB 1.404 26 residues pruned to eliminate duplicates Z: 20 26.264 2.193 0.448 0.892 0.947 0.895 CB 1.439 20 residues pruned to eliminate duplicates Z: 17 31.176 2.310 0.461 0.883 0.938 0.812 CB 1.782 17 residues pruned to eliminate duplicates Z: 45 37.328 2.288 0.564 0.639 0.886 0.727 CB 1.557 45 residues pruned to eliminate duplicates Z: 8 8.040 1.653 0.472 0.750 0.857 0.571 CA 1.165 8 residues pruned to eliminate duplicates Z: 44 27.295 1.987 0.636 0.432 0.884 0.558 CA 1.556 44 residues pruned to eliminate duplicates Z: 60 25.806 2.044 0.488 0.417 0.864 0.390 CB 1.393 60 residues pruned to eliminate duplicates Z: 25 28.136 2.124 0.148 0.953 1.000 0.958 CB 1.621 25 residues pruned to eliminate duplicates Z: 9 8.060 1.893 0.921 0.533 0.750 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 20 25.443 2.139 0.414 0.875 0.895 0.789 CB 1.568 20 residues pruned to eliminate duplicates Z: 41 38.329 2.281 0.613 0.620 0.950 0.700 CB 1.548 41 residues pruned to eliminate duplicates Z: 49 29.943 2.088 0.555 0.507 0.958 0.542 CB 1.379 49 residues pruned to eliminate duplicates Z: 26 34.501 2.261 0.821 0.544 0.960 0.760 CB 1.672 26 residues pruned to eliminate duplicates Z: 50 31.201 2.094 0.570 0.512 0.939 0.571 CB 1.427 50 residues pruned to eliminate duplicates Z: 50 28.616 2.071 0.644 0.469 0.898 0.531 CB 1.380 50 residues pruned to eliminate duplicates Z: 52 29.588 2.073 0.589 0.495 0.941 0.510 CB 1.343 52 residues pruned to eliminate duplicates Z: 23 41.733 2.455 0.961 0.562 0.955 0.773 CB 1.824 23 residues pruned to eliminate duplicates Z: 24 37.372 2.179 0.673 0.924 0.957 0.826 CB 1.570 23 residues pruned to eliminate duplicates Z: 25 40.196 2.299 0.531 0.933 1.000 0.917 CA 1.626 25 residues pruned to eliminate duplicates Z: 46 17.963 1.935 0.492 0.418 0.800 0.511 CB 1.263 Z: 16 12.661 1.822 0.435 0.556 1.000 0.533 CB 1.183 17 residues pruned to eliminate duplicates Z: 42 34.988 2.104 0.575 0.641 0.976 0.634 CA 1.481 42 residues pruned to eliminate duplicates Z: 6 4.521 1.794 -0.198 0.656 0.800 0.600 O 1.520 Z: 22 33.255 2.193 0.614 0.934 0.952 0.810 CB 1.500 22 residues pruned to eliminate duplicates Z: 9 7.573 1.804 0.536 0.384 0.875 0.375 CB 1.249 9 residues pruned to eliminate duplicates Z: 38 32.395 2.224 0.535 0.609 0.919 0.595 CB 1.530 38 residues pruned to eliminate duplicates Z: 10 23.165 2.084 1.020 0.912 0.889 0.556 CB 1.462 10 residues pruned to eliminate duplicates Z: 17 27.839 2.217 0.518 0.908 0.938 0.812 CB 1.567 17 residues pruned to eliminate duplicates Z: 29 22.036 2.058 0.607 0.526 0.893 0.643 CB 1.374 29 residues pruned to eliminate duplicates Z: 8 4.462 1.740 -0.158 0.509 0.857 0.429 CB 1.330 7 residues pruned to eliminate duplicates Z: 46 20.102 1.887 0.443 0.504 0.844 0.578 CB 1.299 39 residues pruned to eliminate duplicates Z: 20 29.911 2.307 0.380 0.885 0.947 0.842 CB 1.643 20 residues pruned to eliminate duplicates Z: 18 24.567 2.117 0.459 0.873 0.941 0.824 CB 1.493 18 residues pruned to eliminate duplicates Z: 18 35.178 2.285 0.467 0.908 1.000 0.824 CB 1.808 18 residues pruned to eliminate duplicates Z: 24 49.047 2.224 1.143 0.960 0.957 0.609 CB 1.536 24 residues pruned to eliminate duplicates Z: 10 20.818 2.069 0.763 0.889 0.889 0.667 CB 1.541 10 residues pruned to eliminate duplicates Z: 17 19.933 2.045 0.421 0.914 1.000 0.875 CB 1.213 17 residues pruned to eliminate duplicates Z: 35 29.855 2.064 0.581 0.641 0.912 0.588 CA 1.508 35 residues pruned to eliminate duplicates Z: 58 29.083 1.916 0.554 0.532 0.930 0.649 CB 1.348 110 residues pruned to eliminate duplicates Z: 41 35.290 2.207 0.425 0.683 0.950 0.675 CB 1.580 41 residues pruned to eliminate duplicates Z: 62 54.191 2.328 0.775 0.593 0.967 0.656 CB 1.589 62 residues pruned to eliminate duplicates Z: 26 54.181 2.201 1.480 0.944 1.000 0.520 CB 1.375 26 residues pruned to eliminate duplicates Z: 15 35.645 2.308 0.960 0.924 0.929 0.429 CB 1.592 15 residues pruned to eliminate duplicates 7 1.519 1.526 -0.273 0.376 0.667 0.500 CB 0.957 ? Z: 8 13.100 2.051 0.234 0.895 1.000 1.000 CB 1.402 8 residues pruned to eliminate duplicates Z: 20 16.243 2.054 0.638 0.495 0.789 0.684 CB 1.410 Z: 42 23.046 2.038 0.485 0.428 0.902 0.488 CB 1.420 42 residues pruned to eliminate duplicates Z: 38 27.514 2.056 0.649 0.532 0.946 0.595 CB 1.367 38 residues pruned to eliminate duplicates Z: 40 32.541 2.168 0.728 0.549 0.872 0.564 CB 1.522 40 residues pruned to eliminate duplicates Z: 10 19.590 2.086 0.488 0.900 1.000 1.000 CB 1.503 10 residues pruned to eliminate duplicates Z: 48 37.863 2.166 0.600 0.597 0.894 0.723 CB 1.625 48 residues pruned to eliminate duplicates Z: 19 41.096 2.357 0.832 0.930 0.944 0.556 CB 1.660 19 residues pruned to eliminate duplicates Z: 12 15.506 2.065 0.371 0.517 0.909 0.727 CB 1.787 12 residues pruned to eliminate duplicates Z: 7 4.864 1.775 0.561 0.468 0.667 0.333 N 1.111 Z: 25 40.437 2.162 1.011 0.925 0.917 0.458 CB 1.453 25 residues pruned to eliminate duplicates Z: 12 4.560 1.753 0.027 0.418 0.727 0.364 CB 1.144 Z: 14 17.055 2.159 0.480 0.585 0.923 0.538 CB 1.478 14 residues pruned to eliminate duplicates Z: 18 25.105 2.157 0.343 0.916 1.000 1.000 CB 1.485 18 residues pruned to eliminate duplicates Z: 36 33.057 2.096 0.507 0.723 0.943 0.743 CB 1.534 36 residues pruned to eliminate duplicates Z: 36 23.267 2.065 0.482 0.473 0.943 0.600 CB 1.401 36 residues pruned to eliminate duplicates Z: 19 29.813 2.299 0.553 0.900 0.944 0.611 CB 1.489 19 residues pruned to eliminate duplicates Z: 10 12.121 1.896 0.753 0.902 0.778 0.444 CB 1.115 10 residues pruned to eliminate duplicates Z: 37 32.215 2.218 0.636 0.630 0.889 0.639 CB 1.473 37 residues pruned to eliminate duplicates Z: 8 4.254 1.699 -0.269 0.599 0.857 0.571 N 1.373 3 residues pruned to eliminate duplicates Z: 10 11.281 1.955 0.601 0.547 0.889 0.667 CB 1.291 10 residues pruned to eliminate duplicates Z: 24 47.254 2.211 1.148 0.941 0.957 0.652 CB 1.506 24 residues pruned to eliminate duplicates Z: 54 29.866 2.056 0.692 0.453 0.887 0.491 CB 1.396 54 residues pruned to eliminate duplicates Z: 7 4.635 1.976 -0.420 0.584 1.000 0.667 N 1.523 Z: 25 35.639 2.413 0.777 0.495 0.958 0.667 CA 1.780 25 residues pruned to eliminate duplicates Z: 7 8.806 1.947 0.663 0.845 0.667 0.500 CB 1.239 7 residues pruned to eliminate duplicates Z: 58 52.489 2.365 0.835 0.584 0.912 0.632 CB 1.620 58 residues pruned to eliminate duplicates Z: 51 29.438 2.086 0.590 0.464 0.920 0.520 CB 1.414 51 residues pruned to eliminate duplicates Z: 34 22.046 2.004 0.501 0.544 0.970 0.485 CB 1.260 34 residues pruned to eliminate duplicates Z: 12 15.447 2.224 0.459 0.654 1.000 0.818 CB 1.244 12 residues pruned to eliminate duplicates Z: 11 16.104 2.114 0.672 0.595 1.000 0.900 CB 1.316 11 residues pruned to eliminate duplicates Z: 45 25.915 1.996 0.686 0.439 0.886 0.500 CB 1.395 45 residues pruned to eliminate duplicates Z: 8 16.984 2.122 0.570 0.776 1.000 0.857 CB 1.511 8 residues pruned to eliminate duplicates Z: 9 4.837 1.666 -0.117 0.604 0.875 0.625 CB 1.204 Z: 25 43.328 2.371 1.000 0.550 1.000 0.750 CB 1.776 12 residues pruned to eliminate duplicates Z: 54 42.587 2.290 0.609 0.518 0.943 0.566 CB 1.652 54 residues pruned to eliminate duplicates Z: 9 4.691 1.823 0.016 0.394 0.875 0.625 CB 1.145 9 residues pruned to eliminate duplicates Z: 20 25.304 2.309 0.966 0.395 0.895 0.632 CB 1.597 20 residues pruned to eliminate duplicates Z: 15 27.631 2.379 0.260 0.926 1.000 1.000 CB 1.727 15 residues pruned to eliminate duplicates Z: 8 5.264 1.869 -0.234 0.542 1.000 0.714 N 1.334 7 residues pruned to eliminate duplicates Z: 24 46.740 2.169 1.223 0.949 0.957 0.435 CB 1.458 24 residues pruned to eliminate duplicates Z: 51 30.285 2.097 0.548 0.506 0.920 0.560 CB 1.425 51 residues pruned to eliminate duplicates Z: 51 28.338 2.091 0.549 0.466 0.880 0.460 CB 1.455 51 residues pruned to eliminate duplicates Z: 10 16.863 2.104 0.573 0.880 0.889 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 17 30.825 2.193 0.546 0.916 1.000 0.812 CB 1.605 17 residues pruned to eliminate duplicates Z: 42 31.006 2.081 0.679 0.563 0.976 0.610 CB 1.337 42 residues pruned to eliminate duplicates Z: 24 52.512 2.291 1.050 0.928 1.000 0.435 CB 1.633 24 residues pruned to eliminate duplicates Z: 66 34.811 2.121 0.532 0.470 0.938 0.492 CB 1.460 66 residues pruned to eliminate duplicates Z: 39 53.445 2.255 1.194 0.712 0.921 0.605 CB 1.570 39 residues pruned to eliminate duplicates Z: 8 12.360 2.082 0.214 0.893 1.000 1.000 CB 1.327 8 residues pruned to eliminate duplicates Z: 44 22.923 1.896 0.528 0.497 0.930 0.535 CB 1.301 17 residues pruned to eliminate duplicates Z: 20 25.725 2.167 0.756 0.499 1.000 0.632 CB 1.552 20 residues pruned to eliminate duplicates Z: 20 26.226 2.298 0.652 0.504 0.947 0.684 CA 1.665 20 residues pruned to eliminate duplicates Z: 9 3.674 1.588 -0.115 0.289 0.875 0.125 N 1.339 9 residues pruned to eliminate duplicates Z: 33 27.766 2.048 0.805 0.539 0.875 0.438 CB 1.461 33 residues pruned to eliminate duplicates Z: 8 16.955 2.152 0.897 0.648 1.000 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 7 5.622 1.774 0.106 0.499 1.000 1.000 CA 1.171 7 residues pruned to eliminate duplicates Z: 25 41.843 2.194 1.222 0.940 0.917 0.417 CB 1.328 25 residues pruned to eliminate duplicates Z: 97 38.684 2.034 0.521 0.552 0.875 0.615 CB 1.386 91 residues pruned to eliminate duplicates Z: 70 36.057 2.138 0.550 0.466 0.899 0.536 CB 1.509 70 residues pruned to eliminate duplicates Z: 76 56.081 2.294 0.775 0.668 0.893 0.547 CB 1.524 76 residues pruned to eliminate duplicates Z: 50 29.051 2.071 0.623 0.426 0.898 0.469 CB 1.485 50 residues pruned to eliminate duplicates Z: 44 26.333 2.084 0.622 0.442 0.837 0.535 CB 1.506 44 residues pruned to eliminate duplicates Z: 6 6.233 2.230 0.569 0.636 1.000 1.000 CB 0.701 6 residues pruned to eliminate duplicates Z: 19 25.204 2.226 0.658 0.859 0.889 0.556 CB 1.333 19 residues pruned to eliminate duplicates Z: 28 21.650 2.066 0.536 0.544 0.926 0.667 CB 1.357 28 residues pruned to eliminate duplicates Z: 19 32.726 2.291 0.451 0.850 1.000 0.722 CB 1.718 19 residues pruned to eliminate duplicates Z: 10 2.365 1.498 0.102 0.262 0.778 0.333 CB 0.805 Z: 7 5.674 1.634 0.583 0.366 0.833 0.500 CA 1.241 7 residues pruned to eliminate duplicates Z: 6 8.589 1.854 0.733 0.563 0.800 0.800 CA 1.406 6 residues pruned to eliminate duplicates Z: 20 27.362 2.041 0.693 0.873 0.947 0.526 CB 1.397 20 residues pruned to eliminate duplicates Z: 13 20.845 2.145 0.799 0.511 0.917 0.667 CB 1.683 13 residues pruned to eliminate duplicates Z: 25 51.520 2.290 1.234 0.936 0.958 0.542 CB 1.494 25 residues pruned to eliminate duplicates Z: 42 32.351 2.133 0.853 0.533 0.902 0.634 CB 1.372 42 residues pruned to eliminate duplicates Z: 35 36.725 2.309 0.672 0.623 0.971 0.588 CB 1.497 35 residues pruned to eliminate duplicates Z: 19 21.578 2.147 0.390 0.869 0.833 0.722 CB 1.493 19 residues pruned to eliminate duplicates Z: 12 12.025 1.984 0.472 0.500 0.909 0.455 CB 1.366 12 residues pruned to eliminate duplicates Z: 57 31.624 2.093 0.549 0.559 0.857 0.696 CB 1.435 57 residues pruned to eliminate duplicates Z: 25 16.702 1.982 0.898 0.328 0.792 0.458 CB 1.383 25 residues pruned to eliminate duplicates Z: 7 3.777 1.486 0.464 0.272 0.833 0.667 N 1.101 Z: 16 12.531 1.868 0.869 0.542 0.800 0.467 CB 1.112 16 residues pruned to eliminate duplicates Z: 25 39.828 2.244 0.832 0.917 0.958 0.750 CB 1.456 25 residues pruned to eliminate duplicates Z: 43 42.046 2.206 1.063 0.655 0.857 0.429 CB 1.440 43 residues pruned to eliminate duplicates Z: 43 29.334 1.978 0.591 0.558 0.976 0.595 CB 1.393 43 residues pruned to eliminate duplicates Z: 40 27.251 2.024 0.600 0.519 0.949 0.590 CB 1.394 40 residues pruned to eliminate duplicates Z: 8 18.397 2.037 1.008 0.897 0.857 0.857 CA 1.420 8 residues pruned to eliminate duplicates Z: 146 78.834 2.255 0.852 0.572 0.938 0.552 CB 1.559 146 residues pruned to eliminate duplicates Z: 7 2.164 1.469 0.099 0.409 0.833 0.667 CB 0.723 Z: 22 20.520 1.995 0.576 0.661 1.000 0.571 CB 1.226 22 residues pruned to eliminate duplicates Z: 53 38.665 2.236 0.622 0.606 0.923 0.615 CB 1.448 53 residues pruned to eliminate duplicates Z: 83 50.491 2.186 0.864 0.561 0.915 0.524 CB 1.410 83 residues pruned to eliminate duplicates Z: 8 14.034 1.965 0.438 0.856 1.000 1.000 CA 1.385 8 residues pruned to eliminate duplicates Z: 111 46.390 2.048 0.679 0.531 0.909 0.555 CB 1.372 78 residues pruned to eliminate duplicates Z: 6 2.834 1.607 -0.007 0.589 0.800 0.600 CB 0.912 Z: 26 25.908 2.235 0.360 0.787 0.920 0.640 CB 1.440 26 residues pruned to eliminate duplicates Z: 8 19.029 2.110 0.905 0.900 0.857 0.857 CB 1.491 8 residues pruned to eliminate duplicates Z: 32 14.005 1.865 0.514 0.461 0.871 0.452 CB 1.064 32 residues pruned to eliminate duplicates Z: 41 32.303 2.125 0.522 0.659 0.925 0.675 CB 1.473 41 residues pruned to eliminate duplicates Z: 44 18.982 1.920 0.528 0.421 0.837 0.512 CB 1.279 44 residues pruned to eliminate duplicates Z: 28 15.435 1.935 0.407 0.559 0.926 0.407 CB 1.112 28 residues pruned to eliminate duplicates Z: 108 62.573 2.286 0.785 0.579 0.879 0.514 CB 1.564 219 residues pruned to eliminate duplicates Z: 87 41.308 2.091 0.502 0.606 0.895 0.663 CB 1.433 38 residues pruned to eliminate duplicates Z: 54 36.482 2.094 0.631 0.593 0.925 0.547 CB 1.452 54 residues pruned to eliminate duplicates Z: 26 15.129 1.919 0.372 0.412 0.960 0.640 CB 1.313 Z: 8 4.289 1.793 0.040 0.459 0.714 0.571 CB 1.269 10 residues pruned to eliminate duplicates Z: 16 26.970 2.045 1.239 0.909 0.933 0.733 CB 1.156 16 residues pruned to eliminate duplicates Z: 102 53.476 2.201 0.768 0.558 0.901 0.584 CB 1.434 102 residues pruned to eliminate duplicates Z: 36 41.789 2.231 0.788 0.685 0.971 0.743 CB 1.539 36 residues pruned to eliminate duplicates Z: 8 6.596 1.695 0.165 0.576 1.000 0.571 CB 1.174 7 residues pruned to eliminate duplicates Z: 48 29.221 2.114 0.610 0.482 0.894 0.574 CB 1.427 48 residues pruned to eliminate duplicates Z: 6 2.162 1.393 0.399 0.465 0.800 0.600 CA 0.642 6 residues pruned to eliminate duplicates Z: 6 2.561 1.668 0.056 0.299 0.800 0.600 CB 1.017 6 residues pruned to eliminate duplicates Z: 14 13.907 1.990 0.458 0.506 1.000 0.538 CB 1.322 14 residues pruned to eliminate duplicates Z: 8 15.556 2.089 0.357 0.907 1.000 1.000 CB 1.474 8 residues pruned to eliminate duplicates Z: 9 25.669 2.186 1.211 0.906 0.875 0.750 CB 1.527 9 residues pruned to eliminate duplicates Z: 43 26.685 2.053 0.501 0.487 0.929 0.548 CB 1.459 43 residues pruned to eliminate duplicates Z: 41 21.494 1.920 0.593 0.452 0.900 0.500 CB 1.296 33 residues pruned to eliminate duplicates Z: 24 44.851 2.173 1.036 0.900 0.957 0.391 CB 1.578 24 residues pruned to eliminate duplicates Z: 6 4.315 1.756 -0.001 0.703 1.000 0.600 CB 0.914 Z: 37 25.755 1.985 0.832 0.460 0.806 0.583 CB 1.527 37 residues pruned to eliminate duplicates Z: 79 52.126 2.198 0.903 0.573 0.910 0.462 CB 1.444 88 residues pruned to eliminate duplicates Z: 8 11.289 2.000 0.239 0.870 1.000 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 55 30.609 2.039 0.610 0.527 0.889 0.648 CB 1.390 55 residues pruned to eliminate duplicates Z: 29 37.109 2.228 0.954 0.539 0.964 0.643 CB 1.608 29 residues pruned to eliminate duplicates Z: 9 8.636 1.712 0.089 0.806 1.000 0.750 O 1.254 7 residues pruned to eliminate duplicates Z: 8 7.732 1.526 0.923 0.721 0.714 0.429 CB 1.142 8 residues pruned to eliminate duplicates Z: 29 21.709 1.982 0.696 0.531 0.821 0.536 CB 1.440 29 residues pruned to eliminate duplicates Z: 64 35.306 2.145 0.563 0.517 0.857 0.508 CB 1.523 268 residues pruned to eliminate duplicates Z: 39 38.419 2.288 0.634 0.652 0.921 0.684 CB 1.570 39 residues pruned to eliminate duplicates Z: 11 8.794 1.869 0.566 0.348 0.800 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 65 44.918 2.107 0.880 0.606 0.953 0.484 CB 1.345 65 residues pruned to eliminate duplicates Z: 13 14.545 1.931 0.636 0.551 0.917 0.750 CB 1.379 14 residues pruned to eliminate duplicates Z: 6 7.672 1.883 0.878 0.840 0.800 0.800 CA 0.905 6 residues pruned to eliminate duplicates Z: 26 21.537 2.013 0.588 0.583 0.960 0.600 CB 1.296 26 residues pruned to eliminate duplicates Z: 6 3.219 1.661 0.468 0.298 0.600 0.400 CB 1.233 Z: 107 63.812 2.315 0.750 0.581 0.925 0.557 CB 1.530 107 residues pruned to eliminate duplicates Z: 7 5.777 1.756 -0.125 0.797 1.000 0.833 CB 1.184 6 residues pruned to eliminate duplicates Z: 52 31.071 2.111 0.505 0.588 0.902 0.588 CB 1.395 52 residues pruned to eliminate duplicates Z: 11 11.915 2.222 0.378 0.369 1.000 0.700 CB 1.415 11 residues pruned to eliminate duplicates Z: 16 25.700 2.198 0.969 0.899 0.867 0.733 CB 1.265 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 31.303 2.161 1.012 0.769 1.000 0.900 CB 1.795 Z: 9 23.737 2.235 0.667 0.791 1.000 0.625 CB 1.745 10 residues pruned to eliminate duplicates Z: 9 21.818 2.138 0.574 0.875 1.000 0.625 CB 1.668 9 residues pruned to eliminate duplicates Z: 44 40.140 2.193 0.808 0.523 0.953 0.628 CB 1.584 46 residues pruned to eliminate duplicates Z: 10 23.543 2.068 0.944 0.865 1.000 0.667 CB 1.430 10 residues pruned to eliminate duplicates Z: 131 64.188 2.243 0.650 0.589 0.931 0.623 CB 1.501 131 residues pruned to eliminate duplicates Z: 74 44.171 2.188 0.725 0.524 0.918 0.521 CB 1.458 74 residues pruned to eliminate duplicates Z: 53 32.722 2.082 0.731 0.472 0.904 0.538 CB 1.433 53 residues pruned to eliminate duplicates Z: 52 27.674 2.053 0.650 0.434 0.882 0.412 CB 1.388 52 residues pruned to eliminate duplicates Z: 52 37.815 2.164 0.745 0.498 0.941 0.529 CB 1.493 52 residues pruned to eliminate duplicates Z: 50 33.672 2.118 0.664 0.512 0.898 0.449 CB 1.501 50 residues pruned to eliminate duplicates Z: 46 32.468 2.106 0.708 0.491 0.933 0.511 CB 1.455 46 residues pruned to eliminate duplicates Z: 39 34.946 2.116 0.807 0.548 0.947 0.658 CB 1.493 39 residues pruned to eliminate duplicates Z: 38 32.887 2.095 0.820 0.516 0.892 0.486 CB 1.565 38 residues pruned to eliminate duplicates Z: 56 31.307 2.117 0.677 0.438 0.873 0.473 CB 1.452 55 residues pruned to eliminate duplicates Z: 6 2.702 1.541 0.286 0.285 0.800 0.400 CA 0.970 6 residues pruned to eliminate duplicates Z: 115 57.134 2.239 0.694 0.570 0.912 0.596 CB 1.445 115 residues pruned to eliminate duplicates Z: 84 51.089 2.210 0.706 0.557 0.952 0.590 CB 1.478 84 residues pruned to eliminate duplicates Z: 53 34.163 2.113 0.711 0.478 0.923 0.462 CB 1.452 53 residues pruned to eliminate duplicates Z: 84 49.847 2.200 0.722 0.571 0.916 0.590 CB 1.473 84 residues pruned to eliminate duplicates Z: 52 35.106 2.137 0.647 0.477 0.961 0.549 CB 1.487 52 residues pruned to eliminate duplicates Z: 102 53.768 2.225 0.703 0.556 0.911 0.653 CB 1.468 102 residues pruned to eliminate duplicates Z: 6 6.719 1.989 0.309 0.390 1.000 0.200 CA 1.297 6 residues pruned to eliminate duplicates Z: 53 35.566 2.120 0.735 0.481 0.923 0.462 CB 1.481 53 residues pruned to eliminate duplicates Z: 53 34.348 2.107 0.704 0.476 0.923 0.462 CB 1.472 53 residues pruned to eliminate duplicates Z: 6 8.782 1.953 0.549 0.468 1.000 0.800 CA 1.341 6 residues pruned to eliminate duplicates Z: 44 29.384 2.093 0.703 0.444 0.884 0.535 CB 1.508 44 residues pruned to eliminate duplicates Z: 44 29.877 2.090 0.641 0.450 0.930 0.442 CB 1.504 44 residues pruned to eliminate duplicates Z: 47 32.095 2.106 0.826 0.504 0.848 0.457 CB 1.446 47 residues pruned to eliminate duplicates Z: 6 6.826 1.701 1.233 0.392 1.000 0.400 CB 0.901 6 residues pruned to eliminate duplicates Z: 46 29.240 2.078 0.660 0.422 0.911 0.489 CB 1.504 46 residues pruned to eliminate duplicates Z: 52 32.318 2.118 0.664 0.483 0.882 0.471 CB 1.481 52 residues pruned to eliminate duplicates Z: 90 46.592 2.216 0.622 0.537 0.888 0.618 CB 1.494 90 residues pruned to eliminate duplicates Z: 20 13.508 2.120 0.553 0.399 0.789 0.579 CB 1.327 20 residues pruned to eliminate duplicates Z: 72 45.971 2.215 0.767 0.527 0.915 0.493 CB 1.483 72 residues pruned to eliminate duplicates Z: 24 18.439 2.104 0.552 0.471 0.913 0.522 CB 1.327 24 residues pruned to eliminate duplicates Z: 43 22.333 2.080 0.567 0.420 0.881 0.429 CB 1.304 43 residues pruned to eliminate duplicates Z: 52 34.698 2.140 0.686 0.487 0.922 0.549 CB 1.481 52 residues pruned to eliminate duplicates Z: 11 8.665 2.124 0.345 0.364 0.900 0.500 CB 1.233 11 residues pruned to eliminate duplicates Z: 11 10.076 2.016 0.443 0.363 1.000 0.500 CB 1.269 11 residues pruned to eliminate duplicates Z: 20 20.488 2.232 0.655 0.512 0.842 0.579 CB 1.493 20 residues pruned to eliminate duplicates Z: 71 43.332 2.219 0.616 0.553 0.929 0.586 CB 1.477 71 residues pruned to eliminate duplicates Z: 54 33.751 2.232 0.651 0.548 0.849 0.604 CB 1.415 54 residues pruned to eliminate duplicates Z: 73 45.450 2.214 0.651 0.583 0.931 0.667 CB 1.454 73 residues pruned to eliminate duplicates Z: 87 51.747 2.272 0.579 0.613 0.919 0.686 CB 1.521 87 residues pruned to eliminate duplicates Z: 130 60.633 2.239 0.669 0.590 0.899 0.667 CB 1.458 130 residues pruned to eliminate duplicates Z: 39 35.237 2.283 0.646 0.649 0.895 0.684 CB 1.479 39 residues pruned to eliminate duplicates Z: 48 32.676 2.281 0.531 0.582 0.830 0.638 CB 1.520 48 residues pruned to eliminate duplicates Z: 37 38.616 2.349 0.643 0.675 0.944 0.750 CB 1.503 37 residues pruned to eliminate duplicates Z: 31 37.022 2.264 0.689 0.778 0.967 0.800 CB 1.431 31 residues pruned to eliminate duplicates Z: 134 62.474 2.221 0.717 0.586 0.910 0.632 CB 1.438 134 residues pruned to eliminate duplicates Z: 201 70.044 2.198 0.638 0.529 0.900 0.545 CB 1.486 201 residues pruned to eliminate duplicates Z: 84 54.105 2.268 0.703 0.635 0.928 0.675 CB 1.461 84 residues pruned to eliminate duplicates Z: 84 50.850 2.207 0.790 0.580 0.892 0.639 CB 1.468 84 residues pruned to eliminate duplicates Z: 16 24.336 2.243 0.486 0.906 1.000 0.733 CB 1.341 16 residues pruned to eliminate duplicates Z: 63 37.886 2.219 0.560 0.559 0.903 0.661 CB 1.452 63 residues pruned to eliminate duplicates Z: 60 32.882 2.182 0.737 0.456 0.847 0.559 CB 1.393 60 residues pruned to eliminate duplicates Z: 20 23.923 2.124 0.713 0.725 0.947 0.737 CB 1.300 20 residues pruned to eliminate duplicates Z: 82 54.340 2.275 0.634 0.631 0.938 0.667 CB 1.532 82 residues pruned to eliminate duplicates Z: 29 34.513 2.355 0.809 0.604 0.893 0.714 CB 1.552 29 residues pruned to eliminate duplicates Z: 19 31.254 2.373 1.047 0.771 0.833 0.556 CB 1.432 19 residues pruned to eliminate duplicates Z: 37 39.017 2.257 0.799 0.675 0.889 0.806 CB 1.534 37 residues pruned to eliminate duplicates Z: 80 54.892 2.280 0.699 0.652 0.924 0.646 CB 1.498 80 residues pruned to eliminate duplicates Z: 39 44.053 2.298 0.975 0.657 0.895 0.632 CB 1.521 39 residues pruned to eliminate duplicates Z: 97 64.613 2.279 0.852 0.585 0.938 0.542 CB 1.537 97 residues pruned to eliminate duplicates Z: 27 51.605 2.345 1.193 0.838 0.962 0.731 CB 1.530 27 residues pruned to eliminate duplicates Z: 48 43.886 2.282 0.883 0.599 0.872 0.553 CB 1.553 48 residues pruned to eliminate duplicates Z: 38 44.404 2.304 1.039 0.671 0.919 0.486 CB 1.443 38 residues pruned to eliminate duplicates Z: 37 40.844 2.256 1.045 0.645 0.861 0.556 CB 1.496 37 residues pruned to eliminate duplicates Z: 94 57.301 2.215 0.899 0.564 0.903 0.538 CB 1.470 94 residues pruned to eliminate duplicates Z: 49 45.118 2.216 1.046 0.551 0.917 0.458 CB 1.491 49 residues pruned to eliminate duplicates Z: 71 52.210 2.296 0.731 0.593 0.900 0.643 CB 1.596 71 residues pruned to eliminate duplicates Z: 51 44.796 2.270 0.971 0.570 0.880 0.540 CB 1.504 51 residues pruned to eliminate duplicates Z: 78 40.427 2.030 0.820 0.530 0.883 0.506 CB 1.372 78 residues pruned to eliminate duplicates Z: 126 61.896 2.211 0.759 0.580 0.896 0.488 CB 1.471 126 residues pruned to eliminate duplicates Z: 66 47.975 2.247 0.723 0.628 0.908 0.600 CB 1.500 66 residues pruned to eliminate duplicates Z: 48 44.305 2.256 1.009 0.586 0.894 0.532 CB 1.469 48 residues pruned to eliminate duplicates Z: 46 48.152 2.308 1.123 0.610 0.911 0.578 CB 1.449 46 residues pruned to eliminate duplicates Z: 102 59.956 2.218 0.899 0.563 0.911 0.485 CB 1.463 102 residues pruned to eliminate duplicates Z: 54 40.959 2.244 0.915 0.573 0.887 0.434 CB 1.376 54 residues pruned to eliminate duplicates Z: 49 47.474 2.283 1.060 0.565 0.896 0.438 CB 1.527 49 residues pruned to eliminate duplicates Z: 89 56.916 2.287 0.746 0.621 0.920 0.568 CB 1.472 89 residues pruned to eliminate duplicates Z: 91 58.228 2.255 0.841 0.595 0.889 0.544 CB 1.519 91 residues pruned to eliminate duplicates Z: 90 58.078 2.263 0.841 0.576 0.921 0.573 CB 1.491 90 residues pruned to eliminate duplicates Z: 46 37.738 2.294 0.687 0.576 0.911 0.644 CB 1.483 46 residues pruned to eliminate duplicates Z: 65 46.976 2.290 0.620 0.541 0.953 0.609 CB 1.595 65 residues pruned to eliminate duplicates Z: 59 51.589 2.304 0.731 0.572 0.948 0.655 CB 1.671 59 residues pruned to eliminate duplicates Z: 45 38.883 2.220 0.658 0.610 0.955 0.659 CB 1.504 45 residues pruned to eliminate duplicates Z: 15 15.425 2.197 0.661 0.505 0.857 0.714 CB 1.312 15 residues pruned to eliminate duplicates Z: 45 39.135 2.223 0.746 0.605 0.909 0.705 CB 1.514 45 residues pruned to eliminate duplicates Z: 14 27.948 2.303 0.990 0.609 1.000 0.846 CB 1.525 14 residues pruned to eliminate duplicates Z: 13 25.728 2.373 0.787 0.636 1.000 0.833 CB 1.542 13 residues pruned to eliminate duplicates Z: 44 34.040 2.214 0.549 0.597 0.953 0.558 CB 1.448 44 residues pruned to eliminate duplicates Z: 41 40.718 2.252 0.747 0.641 0.950 0.675 CB 1.510 41 residues pruned to eliminate duplicates Z: 42 40.039 2.280 0.654 0.612 0.951 0.707 CB 1.568 42 residues pruned to eliminate duplicates Z: 16 17.872 2.227 0.697 0.468 0.933 0.733 CB 1.352 16 residues pruned to eliminate duplicates Z: 41 40.416 2.286 0.761 0.615 0.900 0.600 CB 1.582 41 residues pruned to eliminate duplicates Z: 45 36.138 2.230 0.572 0.578 0.955 0.614 CB 1.510 45 residues pruned to eliminate duplicates Z: 49 45.949 2.340 0.645 0.630 0.938 0.708 CB 1.627 49 residues pruned to eliminate duplicates Z: 63 49.237 2.353 0.622 0.532 0.952 0.613 CB 1.669 63 residues pruned to eliminate duplicates Z: 49 32.848 2.178 0.606 0.576 0.896 0.625 CB 1.406 49 residues pruned to eliminate duplicates Z: 46 42.501 2.341 0.596 0.574 0.956 0.600 CB 1.652 46 residues pruned to eliminate duplicates Z: 41 39.208 2.265 0.657 0.628 0.975 0.600 CB 1.502 41 residues pruned to eliminate duplicates Z: 35 42.282 2.302 0.790 0.652 0.971 0.588 CB 1.574 35 residues pruned to eliminate duplicates Z: 45 35.721 2.207 0.669 0.545 0.932 0.614 CB 1.501 45 residues pruned to eliminate duplicates Z: 40 34.689 2.209 0.639 0.584 0.923 0.667 CB 1.533 40 residues pruned to eliminate duplicates Z: 37 34.232 2.199 0.574 0.598 0.944 0.667 CB 1.590 37 residues pruned to eliminate duplicates Z: 46 34.819 2.173 0.692 0.549 0.933 0.511 CB 1.442 46 residues pruned to eliminate duplicates Z: 26 36.300 2.289 0.761 0.690 0.960 0.640 CB 1.577 26 residues pruned to eliminate duplicates Z: 44 38.250 2.223 0.809 0.589 0.930 0.581 CB 1.433 44 residues pruned to eliminate duplicates Z: 72 54.157 2.249 0.916 0.598 0.915 0.507 CB 1.484 72 residues pruned to eliminate duplicates Z: 93 46.701 2.185 0.550 0.530 0.935 0.522 CB 1.493 93 residues pruned to eliminate duplicates Z: 43 36.880 2.189 0.736 0.597 0.929 0.619 CB 1.471 43 residues pruned to eliminate duplicates Z: 59 48.038 2.351 0.725 0.557 0.897 0.603 CB 1.642 59 residues pruned to eliminate duplicates Z: 42 36.486 2.225 0.663 0.625 0.951 0.537 CB 1.439 42 residues pruned to eliminate duplicates Z: 63 47.437 2.323 0.656 0.531 0.935 0.645 CB 1.624 63 residues pruned to eliminate duplicates Z: 22 27.308 2.301 0.676 0.704 0.857 0.667 CB 1.497 22 residues pruned to eliminate duplicates Z: 41 36.379 2.263 0.666 0.605 0.925 0.675 CB 1.493 41 residues pruned to eliminate duplicates Z: 52 39.049 2.306 0.585 0.559 0.922 0.608 CB 1.533 52 residues pruned to eliminate duplicates Z: 63 35.179 2.179 0.694 0.463 0.855 0.548 CB 1.470 63 residues pruned to eliminate duplicates Z: 37 31.799 2.170 0.666 0.571 0.861 0.583 CB 1.589 37 residues pruned to eliminate duplicates Z: 50 38.907 2.206 0.705 0.593 0.918 0.592 CB 1.473 50 residues pruned to eliminate duplicates Z: 13 15.277 2.240 0.538 0.415 0.917 0.667 CA 1.526 13 residues pruned to eliminate duplicates Z: 27 31.075 2.291 0.685 0.481 0.962 0.577 CB 1.673 27 residues pruned to eliminate duplicates Z: 27 30.629 2.382 0.623 0.467 0.923 0.615 CB 1.741 27 residues pruned to eliminate duplicates Z: 33 21.049 1.966 0.588 0.517 0.844 0.656 CB 1.389 33 residues pruned to eliminate duplicates Z: 24 29.232 2.390 0.726 0.429 0.913 0.609 CB 1.741 24 residues pruned to eliminate duplicates Z: 26 23.838 2.273 0.744 0.408 0.840 0.520 CB 1.577 26 residues pruned to eliminate duplicates Z: 74 34.147 2.135 0.490 0.459 0.904 0.575 CB 1.449 74 residues pruned to eliminate duplicates Z: 35 27.656 2.179 0.570 0.451 0.941 0.588 CB 1.548 35 residues pruned to eliminate duplicates Z: 44 31.120 2.159 0.613 0.549 0.907 0.628 CB 1.432 44 residues pruned to eliminate duplicates Z: 43 30.537 2.121 0.600 0.458 0.952 0.571 CB 1.521 43 residues pruned to eliminate duplicates Z: 62 41.184 2.210 0.687 0.508 0.902 0.574 CB 1.556 62 residues pruned to eliminate duplicates Z: 26 28.136 2.358 0.675 0.399 0.960 0.560 CB 1.650 26 residues pruned to eliminate duplicates Z: 64 51.841 2.345 0.723 0.580 0.937 0.667 CB 1.598 64 residues pruned to eliminate duplicates Z: 25 36.687 2.391 0.837 0.496 0.958 0.667 CB 1.785 25 residues pruned to eliminate duplicates Z: 81 35.970 2.065 0.571 0.504 0.887 0.562 CB 1.392 81 residues pruned to eliminate duplicates Z: 26 34.425 2.403 0.703 0.473 0.960 0.640 CA 1.802 26 residues pruned to eliminate duplicates Z: 41 31.626 2.112 0.842 0.498 0.900 0.550 CB 1.431 41 residues pruned to eliminate duplicates Z: 85 39.963 2.104 0.546 0.501 0.940 0.607 CB 1.424 85 residues pruned to eliminate duplicates Z: 25 37.904 2.414 0.994 0.487 0.917 0.667 CA 1.777 25 residues pruned to eliminate duplicates Z: 8 18.782 2.208 0.847 0.727 1.000 0.714 CA 1.419 8 residues pruned to eliminate duplicates Z: 9 15.297 2.126 0.667 0.607 1.000 0.750 CB 1.378 9 residues pruned to eliminate duplicates Z: 56 25.310 1.996 0.498 0.493 0.855 0.418 CB 1.345 56 residues pruned to eliminate duplicates Z: 65 39.760 2.171 0.732 0.501 0.906 0.594 CB 1.456 65 residues pruned to eliminate duplicates Z: 63 38.561 2.127 0.695 0.493 0.935 0.581 CB 1.462 63 residues pruned to eliminate duplicates Z: 69 36.195 2.085 0.544 0.513 0.941 0.662 CB 1.430 69 residues pruned to eliminate duplicates Z: 124 57.240 2.212 0.554 0.583 0.902 0.593 CB 1.537 124 residues pruned to eliminate duplicates Z: 15 19.172 1.968 0.794 0.632 1.000 0.643 CB 1.283 15 residues pruned to eliminate duplicates Z: 12 17.397 1.901 0.844 0.648 1.000 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 48 26.684 2.116 0.450 0.498 0.872 0.532 CB 1.457 48 residues pruned to eliminate duplicates Z: 124 67.926 2.235 0.755 0.572 0.935 0.602 CB 1.557 124 residues pruned to eliminate duplicates Z: 51 29.868 2.099 0.569 0.479 0.940 0.500 CB 1.393 51 residues pruned to eliminate duplicates Z: 46 27.949 2.085 0.550 0.507 0.933 0.511 CB 1.373 46 residues pruned to eliminate duplicates Z: 37 25.229 2.016 0.667 0.530 0.917 0.528 CB 1.326 37 residues pruned to eliminate duplicates Z: 53 26.859 2.059 0.510 0.442 0.904 0.500 CB 1.407 53 residues pruned to eliminate duplicates Z: 25 20.227 1.940 0.566 0.569 0.958 0.542 CB 1.327 25 residues pruned to eliminate duplicates Z: 52 28.850 2.100 0.654 0.458 0.863 0.490 CB 1.408 52 residues pruned to eliminate duplicates Z: 39 26.869 2.096 0.639 0.533 0.921 0.553 CB 1.333 39 residues pruned to eliminate duplicates Z: 23 21.016 1.939 0.713 0.647 1.000 0.682 CB 1.176 23 residues pruned to eliminate duplicates Z: 38 24.936 2.050 0.608 0.526 0.919 0.595 CB 1.319 38 residues pruned to eliminate duplicates Z: 52 28.584 2.087 0.569 0.463 0.922 0.529 CB 1.377 52 residues pruned to eliminate duplicates Z: 39 23.683 2.038 0.547 0.460 0.895 0.474 CB 1.419 39 residues pruned to eliminate duplicates Z: 50 29.915 2.113 0.588 0.477 0.918 0.551 CB 1.419 50 residues pruned to eliminate duplicates Z: 52 28.262 2.091 0.569 0.454 0.922 0.490 CB 1.372 52 residues pruned to eliminate duplicates Z: 47 30.082 2.107 0.651 0.495 0.935 0.522 CB 1.370 47 residues pruned to eliminate duplicates Z: 49 29.263 2.096 0.595 0.502 0.917 0.500 CB 1.375 49 residues pruned to eliminate duplicates Z: 40 26.297 2.046 0.582 0.507 0.923 0.538 CB 1.400 40 residues pruned to eliminate duplicates Z: 39 26.257 2.048 0.643 0.514 0.921 0.579 CB 1.355 39 residues pruned to eliminate duplicates Z: 50 28.534 2.092 0.583 0.473 0.898 0.551 CB 1.409 50 residues pruned to eliminate duplicates Z: 37 29.445 2.097 0.639 0.554 0.972 0.694 CB 1.393 37 residues pruned to eliminate duplicates Z: 39 27.792 2.061 0.666 0.513 0.974 0.579 CB 1.331 39 residues pruned to eliminate duplicates Z: 48 28.162 2.101 0.567 0.475 0.915 0.468 CB 1.399 48 residues pruned to eliminate duplicates Z: 39 27.034 2.045 0.730 0.506 0.947 0.526 CB 1.301 39 residues pruned to eliminate duplicates Z: 48 29.488 2.106 0.612 0.471 0.915 0.532 CB 1.426 48 residues pruned to eliminate duplicates Z: 50 28.292 2.085 0.654 0.444 0.939 0.449 CB 1.322 50 residues pruned to eliminate duplicates Z: 47 26.374 2.065 0.559 0.439 0.913 0.522 CB 1.409 47 residues pruned to eliminate duplicates Z: 53 28.745 2.031 0.603 0.461 0.904 0.442 CB 1.409 53 residues pruned to eliminate duplicates Z: 48 32.303 2.122 0.631 0.492 0.936 0.574 CB 1.465 48 residues pruned to eliminate duplicates Z: 52 28.949 2.080 0.544 0.466 0.902 0.510 CB 1.449 52 residues pruned to eliminate duplicates Z: 37 24.585 2.108 0.494 0.447 0.944 0.556 CB 1.456 37 residues pruned to eliminate duplicates Z: 42 26.255 2.035 0.613 0.444 0.902 0.537 CB 1.466 42 residues pruned to eliminate duplicates Z: 19 15.106 2.109 0.588 0.469 0.833 0.556 CB 1.317 19 residues pruned to eliminate duplicates Z: 49 29.513 2.057 0.595 0.498 0.958 0.542 CB 1.357 49 residues pruned to eliminate duplicates Z: 49 29.183 2.095 0.591 0.494 0.938 0.479 CB 1.356 49 residues pruned to eliminate duplicates Z: 42 25.402 2.047 0.614 0.438 0.902 0.488 CB 1.420 42 residues pruned to eliminate duplicates Z: 48 32.178 2.123 0.630 0.515 0.936 0.617 CB 1.428 48 residues pruned to eliminate duplicates Z: 11 5.339 1.998 0.207 0.222 0.800 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 52 28.354 2.066 0.585 0.494 0.922 0.510 CB 1.323 52 residues pruned to eliminate duplicates Z: 31 34.673 2.296 0.792 0.621 0.867 0.633 CB 1.583 31 residues pruned to eliminate duplicates Z: 49 39.776 2.285 0.796 0.580 0.833 0.667 CB 1.553 49 residues pruned to eliminate duplicates Z: 72 46.048 2.187 0.748 0.549 0.944 0.592 CB 1.443 72 residues pruned to eliminate duplicates Z: 37 42.091 2.314 0.827 0.692 0.889 0.750 CB 1.566 37 residues pruned to eliminate duplicates Z: 79 54.878 2.258 0.721 0.621 0.936 0.679 CB 1.525 79 residues pruned to eliminate duplicates Z: 48 52.111 2.340 0.860 0.654 0.957 0.702 CB 1.581 48 residues pruned to eliminate duplicates Z: 59 45.944 2.276 0.743 0.568 0.897 0.724 CB 1.589 59 residues pruned to eliminate duplicates Z: 37 42.519 2.303 0.846 0.672 0.889 0.778 CB 1.600 37 residues pruned to eliminate duplicates Z: 39 44.058 2.270 0.916 0.648 0.895 0.737 CB 1.600 39 residues pruned to eliminate duplicates Z: 67 52.194 2.318 0.552 0.709 0.939 0.727 CB 1.573 67 residues pruned to eliminate duplicates Z: 78 58.300 2.302 0.748 0.635 0.922 0.610 CB 1.578 78 residues pruned to eliminate duplicates Z: 41 47.709 2.333 0.927 0.664 0.900 0.700 CB 1.602 41 residues pruned to eliminate duplicates Z: 85 60.778 2.247 0.850 0.606 0.929 0.655 CB 1.554 85 residues pruned to eliminate duplicates Z: 94 61.789 2.316 0.688 0.616 0.903 0.710 CB 1.626 94 residues pruned to eliminate duplicates Z: 51 39.613 2.278 0.699 0.556 0.900 0.520 CB 1.524 51 residues pruned to eliminate duplicates Z: 48 41.568 2.292 0.819 0.576 0.851 0.574 CB 1.588 48 residues pruned to eliminate duplicates Z: 46 35.372 2.210 0.747 0.545 0.867 0.622 CB 1.508 46 residues pruned to eliminate duplicates Z: 52 48.702 2.352 0.781 0.612 0.922 0.627 CB 1.588 52 residues pruned to eliminate duplicates Z: 30 42.385 2.342 1.057 0.678 0.897 0.552 CB 1.548 30 residues pruned to eliminate duplicates Z: 40 43.252 2.275 0.976 0.638 0.872 0.513 CB 1.553 40 residues pruned to eliminate duplicates Z: 88 64.010 2.284 0.817 0.630 0.931 0.586 CB 1.572 88 residues pruned to eliminate duplicates Z: 127 63.346 2.222 0.754 0.579 0.913 0.540 CB 1.470 127 residues pruned to eliminate duplicates Z: 47 47.990 2.290 0.899 0.667 0.891 0.457 CB 1.565 47 residues pruned to eliminate duplicates Z: 83 51.284 2.143 0.841 0.613 0.902 0.476 CB 1.429 83 residues pruned to eliminate duplicates Z: 37 42.244 2.280 1.005 0.668 0.861 0.472 CB 1.531 37 residues pruned to eliminate duplicates Z: 96 52.206 2.193 0.798 0.557 0.905 0.537 CB 1.420 96 residues pruned to eliminate duplicates Z: 48 46.432 2.315 0.899 0.658 0.851 0.511 CB 1.563 48 residues pruned to eliminate duplicates Z: 39 43.342 2.277 0.995 0.629 0.868 0.526 CB 1.579 39 residues pruned to eliminate duplicates Z: 53 46.499 2.269 0.934 0.591 0.885 0.538 CB 1.523 53 residues pruned to eliminate duplicates Z: 50 35.720 2.198 0.875 0.539 0.857 0.490 CB 1.390 50 residues pruned to eliminate duplicates Z: 28 53.290 2.334 1.167 0.807 0.963 0.370 CA 1.611 28 residues pruned to eliminate duplicates Z: 78 57.222 2.284 0.747 0.630 0.948 0.571 CB 1.525 78 residues pruned to eliminate duplicates Z: 98 71.941 2.325 0.832 0.628 0.948 0.588 CB 1.602 98 residues pruned to eliminate duplicates Z: 59 38.921 2.182 0.873 0.534 0.845 0.397 CB 1.431 59 residues pruned to eliminate duplicates Z: 102 72.332 2.322 0.859 0.604 0.921 0.584 CB 1.639 102 residues pruned to eliminate duplicates Z: 53 47.105 2.242 0.964 0.637 0.904 0.442 CB 1.443 53 residues pruned to eliminate duplicates Z: 116 71.188 2.325 0.826 0.587 0.896 0.522 CB 1.606 116 residues pruned to eliminate duplicates Z: 81 54.928 2.203 0.902 0.604 0.900 0.538 CB 1.474 81 residues pruned to eliminate duplicates Z: 100 71.611 2.306 0.873 0.602 0.939 0.596 CB 1.609 100 residues pruned to eliminate duplicates Z: 49 44.116 2.220 0.973 0.575 0.854 0.438 CB 1.584 49 residues pruned to eliminate duplicates Z: 61 41.428 2.220 0.792 0.532 0.850 0.467 CB 1.532 71 residues pruned to eliminate duplicates Z: 58 49.094 2.202 1.084 0.554 0.912 0.509 CB 1.473 58 residues pruned to eliminate duplicates Z: 104 75.846 2.344 0.864 0.611 0.942 0.583 CB 1.634 104 residues pruned to eliminate duplicates Z: 11 6.940 2.136 0.217 0.526 0.700 0.500 CB 1.175 11 residues pruned to eliminate duplicates Z: 53 50.606 2.321 0.892 0.612 0.942 0.500 CB 1.525 53 residues pruned to eliminate duplicates Z: 62 55.082 2.277 1.010 0.565 0.885 0.443 CB 1.634 62 residues pruned to eliminate duplicates Z: 61 45.447 2.227 0.839 0.542 0.917 0.333 CB 1.500 61 residues pruned to eliminate duplicates Z: 54 36.903 2.277 0.556 0.559 0.868 0.585 CB 1.557 54 residues pruned to eliminate duplicates Z: 32 41.542 2.327 0.657 0.712 0.968 0.677 CB 1.650 32 residues pruned to eliminate duplicates Z: 42 49.547 2.380 0.716 0.667 0.976 0.707 CB 1.664 42 residues pruned to eliminate duplicates Z: 67 52.354 2.293 0.711 0.549 0.955 0.697 CB 1.640 67 residues pruned to eliminate duplicates Z: 40 46.209 2.226 0.913 0.672 0.949 0.692 CB 1.563 40 residues pruned to eliminate duplicates Z: 62 56.228 2.332 0.828 0.555 0.967 0.689 CB 1.655 62 residues pruned to eliminate duplicates Z: 71 66.063 2.335 0.861 0.689 0.957 0.571 CB 1.597 71 residues pruned to eliminate duplicates Z: 36 35.276 2.229 0.609 0.611 0.971 0.714 CB 1.540 36 residues pruned to eliminate duplicates Z: 88 60.490 2.290 0.862 0.599 0.920 0.506 CB 1.504 88 residues pruned to eliminate duplicates Z: 33 34.266 2.278 0.643 0.603 0.969 0.656 CB 1.515 33 residues pruned to eliminate duplicates Z: 101 66.994 2.284 0.822 0.588 0.940 0.540 CB 1.574 101 residues pruned to eliminate duplicates Z: 58 48.595 2.326 0.724 0.549 0.965 0.614 CB 1.585 58 residues pruned to eliminate duplicates Z: 130 69.049 2.222 0.839 0.591 0.922 0.543 CB 1.479 130 residues pruned to eliminate duplicates Z: 69 51.257 2.287 0.669 0.581 0.926 0.691 CB 1.625 69 residues pruned to eliminate duplicates Z: 62 54.638 2.341 0.674 0.600 0.967 0.672 CB 1.677 62 residues pruned to eliminate duplicates Z: 99 74.548 2.341 0.872 0.621 0.939 0.541 CB 1.634 99 residues pruned to eliminate duplicates Z: 35 43.861 2.289 0.814 0.674 1.000 0.676 CB 1.542 35 residues pruned to eliminate duplicates Z: 36 31.958 2.235 0.615 0.627 0.943 0.686 CB 1.409 36 residues pruned to eliminate duplicates Z: 42 39.144 2.275 0.683 0.625 0.927 0.610 CB 1.531 42 residues pruned to eliminate duplicates Z: 30 33.700 2.262 0.672 0.650 0.931 0.690 CB 1.546 30 residues pruned to eliminate duplicates Z: 85 54.720 2.299 0.738 0.611 0.881 0.548 CB 1.526 85 residues pruned to eliminate duplicates Z: 35 36.515 2.218 0.732 0.611 0.971 0.588 CB 1.512 35 residues pruned to eliminate duplicates Z: 60 51.948 2.375 0.681 0.569 0.949 0.644 CB 1.670 60 residues pruned to eliminate duplicates Z: 150 75.269 2.252 0.814 0.571 0.940 0.530 CB 1.499 150 residues pruned to eliminate duplicates Z: 45 42.954 2.267 0.837 0.606 0.932 0.614 CB 1.509 45 residues pruned to eliminate duplicates Z: 36 35.869 2.298 0.639 0.612 0.914 0.514 CB 1.583 36 residues pruned to eliminate duplicates Z: 101 73.106 2.336 0.900 0.603 0.950 0.570 CB 1.572 101 residues pruned to eliminate duplicates Z: 52 55.658 2.392 0.795 0.551 0.980 0.510 CB 1.762 52 residues pruned to eliminate duplicates Z: 11 13.486 2.272 0.689 0.388 0.900 0.300 CB 1.390 11 residues pruned to eliminate duplicates Z: 61 53.106 2.343 0.713 0.597 0.950 0.633 CB 1.638 61 residues pruned to eliminate duplicates Z: 58 45.675 2.344 0.690 0.544 0.895 0.544 CB 1.635 58 residues pruned to eliminate duplicates Z: 88 56.619 2.260 0.783 0.592 0.908 0.494 CB 1.519 88 residues pruned to eliminate duplicates Z: 63 55.512 2.349 0.707 0.592 0.984 0.726 CB 1.636 63 residues pruned to eliminate duplicates Z: 61 52.423 2.375 0.662 0.553 0.967 0.617 CB 1.685 61 residues pruned to eliminate duplicates Z: 97 68.213 2.323 0.813 0.610 0.938 0.594 CB 1.589 97 residues pruned to eliminate duplicates Z: 51 36.410 2.119 0.751 0.467 0.920 0.600 CB 1.560 51 residues pruned to eliminate duplicates Z: 101 75.225 2.348 0.884 0.603 0.940 0.540 CB 1.641 101 residues pruned to eliminate duplicates Z: 25 32.452 2.332 0.837 0.470 1.000 0.625 CB 1.594 25 residues pruned to eliminate duplicates Z: 50 31.828 2.124 0.567 0.467 0.939 0.633 CB 1.504 50 residues pruned to eliminate duplicates Z: 50 44.594 2.375 0.641 0.605 0.918 0.592 CB 1.611 50 residues pruned to eliminate duplicates Z: 18 18.138 2.226 0.625 0.512 0.824 0.765 CB 1.459 18 residues pruned to eliminate duplicates Z: 101 63.632 2.279 0.887 0.594 0.880 0.590 CB 1.537 101 residues pruned to eliminate duplicates Z: 12 24.269 2.491 0.717 0.535 0.909 0.818 CA 1.819 12 residues pruned to eliminate duplicates Z: 23 31.910 2.456 0.617 0.507 0.955 0.727 CB 1.782 23 residues pruned to eliminate duplicates Z: 32 29.802 2.323 0.731 0.487 0.871 0.677 CB 1.549 32 residues pruned to eliminate duplicates Z: 23 24.995 2.420 0.634 0.418 0.818 0.636 CB 1.794 23 residues pruned to eliminate duplicates Z: 10 16.604 2.171 1.068 0.448 0.889 0.667 CA 1.463 10 residues pruned to eliminate duplicates Z: 60 50.825 2.349 0.743 0.582 0.915 0.729 CB 1.632 60 residues pruned to eliminate duplicates Z: 110 67.045 2.305 0.812 0.574 0.917 0.569 CB 1.561 110 residues pruned to eliminate duplicates Z: 18 24.673 2.095 1.026 0.551 0.882 0.706 CB 1.520 18 residues pruned to eliminate duplicates Z: 63 48.105 2.333 0.725 0.552 0.919 0.565 CB 1.569 63 residues pruned to eliminate duplicates Z: 28 33.233 2.267 0.841 0.472 0.926 0.593 CB 1.703 28 residues pruned to eliminate duplicates Z: 24 43.571 2.475 0.938 0.527 1.000 0.696 CB 1.845 24 residues pruned to eliminate duplicates Z: 8 23.164 2.233 1.124 0.651 1.000 0.714 CB 1.603 8 residues pruned to eliminate duplicates Z: 7 7.132 1.459 0.480 0.887 1.000 0.667 CB 0.972 Z: 8 7.545 1.462 0.447 0.859 1.000 0.714 CB 0.992 7 residues pruned to eliminate duplicates Z: 7 5.117 1.571 0.253 0.844 0.667 0.500 CA 1.185 7 residues pruned to eliminate duplicates Z: 39 22.780 1.948 0.627 0.521 0.868 0.632 CB 1.315 7 residues pruned to eliminate duplicates Z: 8 4.444 1.567 0.257 0.593 0.714 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 42 22.277 1.930 0.582 0.485 0.927 0.512 CB 1.247 39 residues pruned to eliminate duplicates Z: 7 3.900 1.575 0.109 0.252 1.000 0.333 C 1.212 7 residues pruned to eliminate duplicates Z: 47 23.860 1.919 0.555 0.512 0.891 0.522 CB 1.307 43 residues pruned to eliminate duplicates Z: 6 6.458 1.926 0.687 0.386 0.600 0.400 O 1.672 6 residues pruned to eliminate duplicates Z: 87 36.032 2.027 0.520 0.528 0.872 0.593 CB 1.406 46 residues pruned to eliminate duplicates Z: 6 5.260 1.691 0.579 0.280 0.800 0.800 CB 1.412 6 residues pruned to eliminate duplicates Z: 41 23.673 1.946 0.653 0.453 0.925 0.450 CB 1.321 41 residues pruned to eliminate duplicates Z: 48 19.056 1.885 0.391 0.430 0.851 0.489 CB 1.339 48 residues pruned to eliminate duplicates Z: 33 18.834 1.966 0.506 0.446 0.875 0.469 CB 1.358 33 residues pruned to eliminate duplicates Z: 35 19.971 1.974 0.553 0.431 0.882 0.471 CB 1.361 35 residues pruned to eliminate duplicates Z: 20 16.139 2.058 0.530 0.429 0.895 0.579 CB 1.414 20 residues pruned to eliminate duplicates Z: 23 13.192 1.969 0.408 0.406 0.818 0.364 CB 1.368 23 residues pruned to eliminate duplicates Z: 44 22.074 1.936 0.466 0.483 0.907 0.465 CB 1.330 44 residues pruned to eliminate duplicates Z: 21 14.247 2.067 0.633 0.376 0.800 0.500 CB 1.347 21 residues pruned to eliminate duplicates Z: 26 15.287 1.985 0.474 0.403 0.880 0.480 CB 1.315 26 residues pruned to eliminate duplicates Z: 26 17.001 1.956 0.623 0.372 0.880 0.480 CB 1.396 26 residues pruned to eliminate duplicates Z: 21 14.868 2.081 0.566 0.458 0.850 0.550 CB 1.253 21 residues pruned to eliminate duplicates Z: 47 21.610 1.921 0.453 0.497 0.870 0.478 CB 1.317 47 residues pruned to eliminate duplicates Z: 88 38.342 2.025 0.573 0.566 0.874 0.586 CB 1.385 88 residues pruned to eliminate duplicates Z: 6 2.422 1.427 0.299 0.289 0.800 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 55 25.875 2.003 0.588 0.444 0.870 0.481 CB 1.347 56 residues pruned to eliminate duplicates Z: 6 7.824 1.835 0.364 0.634 1.000 0.600 CB 1.233 6 residues pruned to eliminate duplicates Z: 12 6.798 2.065 0.365 0.230 0.727 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 88 46.656 2.107 0.611 0.605 0.897 0.678 CB 1.488 48 residues pruned to eliminate duplicates Z: 7 6.237 1.828 0.750 0.372 0.667 0.333 CA 1.369 7 residues pruned to eliminate duplicates Z: 87 42.942 2.122 0.542 0.598 0.884 0.628 CB 1.458 87 residues pruned to eliminate duplicates Z: 42 31.358 2.096 0.542 0.619 0.902 0.732 CB 1.501 42 residues pruned to eliminate duplicates Z: 50 34.538 2.129 0.584 0.589 0.898 0.755 CB 1.496 50 residues pruned to eliminate duplicates Z: 100 53.250 2.179 0.638 0.606 0.879 0.667 CB 1.542 83 residues pruned to eliminate duplicates Z: 25 33.792 2.168 0.508 0.862 1.000 0.958 CB 1.550 25 residues pruned to eliminate duplicates Z: 92 38.609 2.037 0.543 0.567 0.890 0.615 CB 1.356 92 residues pruned to eliminate duplicates Z: 37 39.211 2.213 0.661 0.675 0.944 0.778 CB 1.602 37 residues pruned to eliminate duplicates Z: 87 40.441 2.037 0.534 0.561 0.930 0.628 CB 1.414 86 residues pruned to eliminate duplicates Z: 25 31.593 2.154 0.364 0.933 0.958 0.875 CA 1.598 25 residues pruned to eliminate duplicates Z: 48 31.036 2.089 0.478 0.578 0.894 0.638 CB 1.523 48 residues pruned to eliminate duplicates Z: 40 37.571 2.227 0.564 0.680 0.923 0.744 CB 1.585 40 residues pruned to eliminate duplicates Z: 33 37.138 2.167 0.732 0.733 0.938 0.750 CB 1.513 33 residues pruned to eliminate duplicates Z: 56 41.990 2.154 0.705 0.612 0.927 0.636 CB 1.494 56 residues pruned to eliminate duplicates Z: 82 35.184 2.021 0.596 0.511 0.889 0.531 CB 1.349 82 residues pruned to eliminate duplicates Z: 82 45.926 2.100 0.593 0.641 0.926 0.679 CB 1.444 82 residues pruned to eliminate duplicates Z: 40 29.657 2.109 0.582 0.634 0.846 0.769 CB 1.482 40 residues pruned to eliminate duplicates Z: 38 40.368 2.192 0.807 0.665 0.919 0.703 CB 1.565 38 residues pruned to eliminate duplicates Z: 51 29.999 2.066 0.598 0.548 0.880 0.600 CB 1.393 51 residues pruned to eliminate duplicates Z: 39 36.753 2.109 0.736 0.675 0.921 0.658 CB 1.505 39 residues pruned to eliminate duplicates Z: 33 41.429 2.178 0.968 0.729 0.938 0.688 CB 1.483 33 residues pruned to eliminate duplicates Z: 48 35.859 2.144 0.701 0.588 0.894 0.617 CB 1.475 48 residues pruned to eliminate duplicates Z: 88 50.974 2.148 0.762 0.609 0.920 0.563 CB 1.416 86 residues pruned to eliminate duplicates Z: 25 42.594 2.166 0.947 0.920 0.917 0.500 CB 1.584 25 residues pruned to eliminate duplicates Z: 38 40.255 2.111 0.812 0.710 0.973 0.459 CB 1.470 38 residues pruned to eliminate duplicates Z: 37 39.645 2.130 0.894 0.689 0.917 0.556 CB 1.503 37 residues pruned to eliminate duplicates Z: 46 41.148 2.154 0.885 0.602 0.911 0.578 CB 1.504 46 residues pruned to eliminate duplicates Z: 47 38.358 2.117 0.834 0.594 0.913 0.435 CB 1.458 47 residues pruned to eliminate duplicates Z: 45 41.704 2.167 0.875 0.627 0.909 0.500 CB 1.510 45 residues pruned to eliminate duplicates Z: 46 38.134 2.141 0.783 0.598 0.933 0.467 CB 1.454 46 residues pruned to eliminate duplicates Z: 47 37.791 2.119 0.891 0.585 0.913 0.391 CB 1.404 47 residues pruned to eliminate duplicates Z: 37 38.676 2.071 1.016 0.671 0.972 0.528 CB 1.357 37 residues pruned to eliminate duplicates Z: 49 32.960 2.049 0.754 0.558 0.896 0.479 CB 1.397 49 residues pruned to eliminate duplicates Z: 42 37.659 2.107 0.827 0.653 0.927 0.561 CB 1.429 42 residues pruned to eliminate duplicates Z: 72 38.503 2.052 0.802 0.537 0.887 0.592 CB 1.343 72 residues pruned to eliminate duplicates Z: 9 5.786 1.839 0.361 0.306 0.875 0.750 CB 1.159 9 residues pruned to eliminate duplicates Z: 38 40.460 2.115 0.955 0.693 0.919 0.378 CB 1.468 38 residues pruned to eliminate duplicates Z: 45 39.433 2.060 0.861 0.658 0.955 0.477 CB 1.403 45 residues pruned to eliminate duplicates Z: 101 59.200 2.138 0.773 0.604 0.950 0.570 CB 1.488 99 residues pruned to eliminate duplicates Z: 6 4.298 1.629 0.685 0.302 0.800 0.600 C 1.092 6 residues pruned to eliminate duplicates Z: 42 32.370 2.102 0.542 0.634 0.927 0.610 CB 1.484 39 residues pruned to eliminate duplicates Z: 7 9.677 1.852 0.845 0.510 1.000 0.833 CA 1.145 Z: 6 8.978 1.663 1.023 0.466 1.000 0.600 CA 1.236 13 residues pruned to eliminate duplicates Z: 123 53.261 2.132 0.598 0.553 0.918 0.598 CB 1.464 50 residues pruned to eliminate duplicates Z: 24 29.960 2.102 0.723 0.753 0.913 0.609 CB 1.507 24 residues pruned to eliminate duplicates Z: 63 38.593 2.183 0.520 0.541 0.935 0.661 CB 1.516 63 residues pruned to eliminate duplicates Z: 59 40.385 2.213 0.522 0.530 0.966 0.672 CB 1.583 59 residues pruned to eliminate duplicates Z: 60 44.922 2.218 0.600 0.588 0.949 0.661 CB 1.596 60 residues pruned to eliminate duplicates Z: 39 30.984 2.120 0.491 0.651 0.947 0.658 CB 1.459 39 residues pruned to eliminate duplicates Z: 42 31.313 2.122 0.497 0.627 0.951 0.659 CB 1.436 42 residues pruned to eliminate duplicates Z: 65 30.720 2.075 0.499 0.523 0.891 0.594 CB 1.355 65 residues pruned to eliminate duplicates Z: 56 42.825 2.213 0.716 0.555 0.927 0.618 CB 1.555 56 residues pruned to eliminate duplicates Z: 39 31.526 2.109 0.631 0.627 0.974 0.684 CB 1.355 39 residues pruned to eliminate duplicates Z: 41 36.116 2.143 0.669 0.625 0.975 0.575 CB 1.456 41 residues pruned to eliminate duplicates Z: 19 34.394 2.190 0.691 0.883 1.000 0.722 CB 1.583 19 residues pruned to eliminate duplicates Z: 42 37.905 2.266 0.521 0.603 0.951 0.707 CB 1.637 42 residues pruned to eliminate duplicates Z: 40 31.937 2.053 0.575 0.634 0.974 0.615 CB 1.432 40 residues pruned to eliminate duplicates Z: 41 30.318 2.104 0.575 0.585 0.975 0.575 CB 1.367 41 residues pruned to eliminate duplicates Z: 59 44.023 2.208 0.638 0.558 0.983 0.621 CB 1.538 59 residues pruned to eliminate duplicates Z: 41 33.073 2.150 0.546 0.626 0.975 0.575 CB 1.432 41 residues pruned to eliminate duplicates Z: 39 32.444 2.084 0.646 0.649 0.947 0.632 CB 1.410 39 residues pruned to eliminate duplicates Z: 58 45.181 2.247 0.610 0.566 0.982 0.614 CB 1.579 58 residues pruned to eliminate duplicates Z: 44 35.403 2.089 0.593 0.616 0.977 0.558 CB 1.488 44 residues pruned to eliminate duplicates Z: 58 38.490 2.131 0.589 0.539 0.982 0.561 CB 1.474 58 residues pruned to eliminate duplicates Z: 58 42.614 2.164 0.721 0.586 0.930 0.667 CB 1.500 58 residues pruned to eliminate duplicates Z: 52 39.745 2.183 0.635 0.586 0.961 0.667 CB 1.494 52 residues pruned to eliminate duplicates Z: 39 26.690 2.056 0.450 0.596 0.895 0.553 CB 1.480 39 residues pruned to eliminate duplicates Z: 41 36.357 2.131 0.681 0.651 0.975 0.600 CB 1.430 41 residues pruned to eliminate duplicates Z: 6 4.240 1.708 0.170 0.445 0.800 0.800 N 1.254 Z: 7 6.849 1.992 0.447 0.509 0.833 0.667 CA 1.154 Z: 7 5.772 1.471 0.833 0.436 0.833 0.333 CA 1.120 Z: 8 9.679 1.563 1.059 0.436 1.000 0.286 CA 1.215 Z: 7 9.253 1.544 1.106 0.375 1.000 0.333 CA 1.328 7 residues pruned to eliminate duplicates Z: 26 34.367 2.251 0.818 0.516 1.000 0.720 CB 1.653 26 residues pruned to eliminate duplicates Z: 30 31.139 2.243 0.735 0.509 0.966 0.759 CB 1.525 30 residues pruned to eliminate duplicates Z: 26 28.136 2.219 0.771 0.485 0.920 0.600 CB 1.580 26 residues pruned to eliminate duplicates Z: 10 14.655 1.994 0.655 0.641 0.889 0.889 CB 1.460 10 residues pruned to eliminate duplicates Z: 10 13.746 1.974 0.602 0.652 0.889 0.889 CB 1.414 10 residues pruned to eliminate duplicates Z: 28 22.980 1.994 0.784 0.472 0.926 0.519 CB 1.380 28 residues pruned to eliminate duplicates Z: 26 33.650 2.239 0.846 0.552 0.960 0.800 CB 1.613 33 residues pruned to eliminate duplicates Z: 64 43.286 2.189 0.635 0.574 0.952 0.619 CB 1.490 64 residues pruned to eliminate duplicates Z: 46 29.998 2.093 0.775 0.422 0.844 0.533 CB 1.545 46 residues pruned to eliminate duplicates Z: 75 39.980 2.101 0.682 0.512 0.892 0.595 CB 1.458 75 residues pruned to eliminate duplicates 419 residues left after pruning, divided into chains as follows: A: 298 B: 121 CC for partial structure against native data = 43.14 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.517, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.597, Connect. = 0.770 for dens.mod. cycle 2 = 0.300, Contrast = 0.721, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.739, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.756, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.762, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.769, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.772, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 0.776, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2325 peaks > 0.5 sigma used to seed fragment search Space for about 608 unique residues taking solvent into account 529 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 19.653 2.288 0.733 0.671 1.000 0.889 CB 1.411 B: 17 21.287 2.280 0.791 0.366 0.875 0.500 CB 1.721 C: 20 31.504 2.324 0.485 0.860 0.947 0.789 CB 1.626 D: 19 30.407 2.214 0.388 0.915 1.000 0.833 CB 1.648 E: 18 35.714 2.302 0.590 0.922 0.941 0.941 CB 1.768 18 residues pruned to eliminate duplicates F: 24 39.388 2.432 0.993 0.508 0.913 0.652 CB 1.842 G: 18 31.240 2.335 0.460 0.893 1.000 0.941 CB 1.595 20 residues pruned to eliminate duplicates H: 26 32.107 2.296 0.695 0.494 0.960 0.680 CB 1.728 I: 27 33.978 2.434 0.744 0.440 0.923 0.577 CB 1.810 27 residues pruned to eliminate duplicates J: 27 43.818 2.180 0.989 0.945 0.923 0.615 CB 1.485 K: 19 32.533 2.304 0.547 0.855 0.944 0.611 CB 1.680 19 residues pruned to eliminate duplicates L: 43 37.871 2.271 0.618 0.558 0.905 0.619 CB 1.662 17 residues pruned to eliminate duplicates M: 18 30.500 2.335 0.230 0.916 1.000 0.882 CB 1.818 18 residues pruned to eliminate duplicates N: 9 16.393 2.214 0.034 0.871 1.000 0.500 CB 1.846 9 residues pruned to eliminate duplicates O: 19 32.811 2.301 0.592 0.845 0.944 0.444 CB 1.661 19 residues pruned to eliminate duplicates P: 10 20.128 2.142 0.412 0.901 1.000 0.778 CB 1.584 Q: 104 58.942 2.265 0.678 0.553 0.942 0.631 CB 1.541 53 residues pruned to eliminate duplicates R: 43 37.983 2.243 0.735 0.611 0.929 0.667 CB 1.460 43 residues pruned to eliminate duplicates S: 25 43.571 2.297 0.773 0.944 0.958 0.750 CB 1.578 T: 10 18.951 2.120 0.428 0.901 1.000 0.778 CB 1.490 10 residues pruned to eliminate duplicates U: 24 42.765 2.324 0.712 0.952 1.000 0.870 CB 1.543 23 residues pruned to eliminate duplicates V: 11 18.264 1.979 0.798 0.680 0.900 0.900 CB 1.529 11 residues pruned to eliminate duplicates W: 26 41.303 2.243 0.686 0.944 0.960 0.760 CB 1.576 26 residues pruned to eliminate duplicates X: 20 43.861 2.351 0.950 0.940 1.000 0.684 CB 1.524 21 residues pruned to eliminate duplicates Y: 16 26.811 2.245 0.927 0.932 0.867 0.600 CB 1.289 16 residues pruned to eliminate duplicates Z: 39 36.248 2.172 0.825 0.526 0.921 0.579 CB 1.569 24 residues pruned to eliminate duplicates Z: 26 26.715 2.242 0.657 0.416 0.920 0.600 CB 1.705 26 residues pruned to eliminate duplicates Z: 24 28.208 2.352 0.683 0.435 0.913 0.609 CB 1.740 24 residues pruned to eliminate duplicates Z: 26 38.073 2.371 0.949 0.520 0.960 0.680 CB 1.682 26 residues pruned to eliminate duplicates Z: 25 46.366 2.368 0.648 0.945 1.000 0.875 CB 1.679 25 residues pruned to eliminate duplicates Z: 24 53.316 2.424 0.987 0.959 0.957 0.565 CB 1.653 25 residues pruned to eliminate duplicates Z: 24 52.649 2.404 0.906 0.945 1.000 0.826 CB 1.657 24 residues pruned to eliminate duplicates Z: 24 46.138 2.374 0.760 0.935 0.957 0.870 CB 1.677 24 residues pruned to eliminate duplicates Z: 15 20.575 2.268 0.919 0.447 0.857 0.714 CB 1.556 15 residues pruned to eliminate duplicates Z: 26 51.173 2.272 0.942 0.943 1.000 0.680 CB 1.608 26 residues pruned to eliminate duplicates Z: 17 39.653 2.407 0.643 0.918 0.938 0.750 CB 1.886 17 residues pruned to eliminate duplicates Z: 48 33.125 2.073 0.739 0.507 0.915 0.532 CB 1.455 48 residues pruned to eliminate duplicates Z: 53 37.157 2.245 0.734 0.460 0.885 0.596 CB 1.559 53 residues pruned to eliminate duplicates Z: 54 35.741 2.206 0.578 0.449 1.000 0.660 CB 1.486 54 residues pruned to eliminate duplicates Z: 19 41.028 2.248 1.020 0.847 0.944 0.833 CB 1.674 19 residues pruned to eliminate duplicates Z: 24 39.087 2.243 0.557 0.933 1.000 0.870 CB 1.628 24 residues pruned to eliminate duplicates Z: 21 55.989 2.449 1.044 0.963 1.000 0.600 CA 1.710 21 residues pruned to eliminate duplicates Z: 19 32.207 2.304 0.420 0.904 1.000 0.833 CB 1.653 18 residues pruned to eliminate duplicates Z: 14 18.239 2.166 0.445 0.806 0.846 0.538 CB 1.463 14 residues pruned to eliminate duplicates Z: 51 41.718 2.159 0.829 0.543 0.960 0.640 CB 1.492 89 residues pruned to eliminate duplicates Z: 10 23.424 2.137 0.731 0.886 1.000 0.556 CB 1.522 10 residues pruned to eliminate duplicates Z: 22 53.619 2.395 1.099 0.950 1.000 0.429 CB 1.605 22 residues pruned to eliminate duplicates Z: 25 38.301 2.298 0.571 0.943 0.958 0.750 CB 1.566 25 residues pruned to eliminate duplicates Z: 25 55.088 2.339 1.028 0.919 1.000 0.833 CB 1.670 25 residues pruned to eliminate duplicates Z: 18 24.310 2.311 0.227 0.906 1.000 0.765 CB 1.478 18 residues pruned to eliminate duplicates Z: 8 14.029 2.079 0.406 0.880 0.857 0.857 CB 1.533 8 residues pruned to eliminate duplicates Z: 19 31.617 2.310 0.421 0.882 0.944 0.778 CB 1.739 19 residues pruned to eliminate duplicates Z: 61 44.981 2.203 0.623 0.570 0.967 0.617 CB 1.569 61 residues pruned to eliminate duplicates Z: 50 29.650 2.106 0.617 0.501 0.898 0.531 CB 1.385 50 residues pruned to eliminate duplicates Z: 23 32.032 2.103 0.667 0.930 0.955 0.818 CB 1.427 Z: 17 38.248 2.383 0.541 0.893 1.000 0.875 CB 1.870 17 residues pruned to eliminate duplicates Z: 26 33.760 2.331 0.929 0.503 0.880 0.600 CA 1.701 27 residues pruned to eliminate duplicates Z: 19 32.267 2.255 0.765 0.924 0.944 0.722 CB 1.421 19 residues pruned to eliminate duplicates Z: 20 34.491 2.189 0.745 0.921 1.000 0.789 CB 1.458 19 residues pruned to eliminate duplicates Z: 22 33.323 2.375 0.298 0.940 1.000 1.000 CB 1.638 22 residues pruned to eliminate duplicates Z: 25 46.794 2.324 1.048 0.940 0.917 0.500 CB 1.520 25 residues pruned to eliminate duplicates Z: 26 49.652 2.258 1.021 0.939 1.000 0.480 CB 1.512 26 residues pruned to eliminate duplicates Z: 10 22.353 2.144 0.751 0.896 1.000 0.667 CB 1.422 10 residues pruned to eliminate duplicates Z: 25 51.294 2.338 0.958 0.957 1.000 0.583 CB 1.570 25 residues pruned to eliminate duplicates Z: 53 34.801 2.118 0.710 0.477 0.923 0.538 CB 1.478 53 residues pruned to eliminate duplicates Z: 22 32.068 2.312 0.980 0.418 0.952 0.571 CA 1.749 22 residues pruned to eliminate duplicates Z: 25 40.710 2.319 0.699 0.943 1.000 0.917 CB 1.462 25 residues pruned to eliminate duplicates Z: 15 23.911 2.419 0.799 0.480 0.857 0.643 CA 1.748 15 residues pruned to eliminate duplicates Z: 24 35.048 2.239 0.528 0.950 0.957 0.957 CB 1.540 23 residues pruned to eliminate duplicates Z: 19 30.103 2.308 0.518 0.883 0.944 0.611 CB 1.551 19 residues pruned to eliminate duplicates Z: 27 33.660 2.383 0.717 0.532 0.923 0.692 CB 1.693 27 residues pruned to eliminate duplicates Z: 20 35.946 2.336 0.521 0.881 1.000 0.737 CB 1.680 19 residues pruned to eliminate duplicates Z: 63 48.241 2.296 0.724 0.567 0.919 0.629 CB 1.578 70 residues pruned to eliminate duplicates Z: 60 46.156 2.271 0.682 0.580 0.949 0.627 CB 1.534 27 residues pruned to eliminate duplicates Z: 15 25.631 2.237 0.809 0.940 0.929 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 24 32.565 2.135 0.607 0.944 1.000 0.696 CB 1.371 24 residues pruned to eliminate duplicates Z: 24 29.874 2.332 0.865 0.435 0.913 0.652 CB 1.678 24 residues pruned to eliminate duplicates Z: 66 47.560 2.294 0.768 0.536 0.923 0.600 CB 1.521 38 residues pruned to eliminate duplicates Z: 65 56.355 2.351 0.679 0.592 0.984 0.625 CB 1.660 63 residues pruned to eliminate duplicates Z: 53 45.093 2.230 0.729 0.528 0.942 0.538 CB 1.674 53 residues pruned to eliminate duplicates Z: 52 36.452 2.251 0.528 0.479 0.961 0.647 CB 1.578 52 residues pruned to eliminate duplicates Z: 10 15.799 2.369 0.437 0.926 1.000 0.889 CB 1.084 10 residues pruned to eliminate duplicates Z: 21 23.982 2.100 0.462 0.825 0.900 0.650 CA 1.465 Z: 34 15.551 1.930 0.536 0.321 0.848 0.424 CB 1.311 Z: 30 29.404 2.183 0.926 0.555 0.862 0.655 CB 1.429 18 residues pruned to eliminate duplicates Z: 109 60.566 2.290 0.775 0.558 0.880 0.620 CB 1.540 186 residues pruned to eliminate duplicates Z: 24 30.693 2.327 0.781 0.416 0.957 0.565 CB 1.762 24 residues pruned to eliminate duplicates Z: 19 25.445 2.286 0.149 0.839 1.000 0.889 CB 1.705 19 residues pruned to eliminate duplicates Z: 36 25.844 2.091 0.699 0.458 0.914 0.543 CB 1.403 Z: 25 34.869 2.280 0.620 0.937 1.000 0.917 CB 1.341 26 residues pruned to eliminate duplicates Z: 26 52.826 2.292 1.055 0.931 0.960 0.640 CB 1.633 25 residues pruned to eliminate duplicates Z: 16 37.175 2.369 0.760 0.886 1.000 0.600 CB 1.660 16 residues pruned to eliminate duplicates Z: 24 57.611 2.333 1.196 0.937 1.000 0.478 CB 1.631 24 residues pruned to eliminate duplicates Z: 20 30.097 2.111 0.662 0.866 0.947 0.789 CA 1.522 21 residues pruned to eliminate duplicates Z: 25 36.181 2.319 0.566 0.941 0.958 0.833 CB 1.472 25 residues pruned to eliminate duplicates Z: 13 18.339 2.231 0.935 0.535 0.917 0.917 CB 1.293 13 residues pruned to eliminate duplicates Z: 100 64.656 2.271 0.944 0.592 0.889 0.626 CB 1.516 138 residues pruned to eliminate duplicates Z: 28 32.765 2.336 0.778 0.478 0.926 0.556 CB 1.677 62 residues pruned to eliminate duplicates Z: 22 33.377 2.352 0.744 0.500 1.000 0.571 CB 1.775 Z: 23 27.654 2.331 0.612 0.486 0.955 0.727 CB 1.667 23 residues pruned to eliminate duplicates Z: 25 63.277 2.371 1.245 0.940 1.000 0.500 CB 1.685 Z: 49 27.013 2.069 0.575 0.448 0.875 0.500 CB 1.442 42 residues pruned to eliminate duplicates Z: 26 31.794 2.293 0.885 0.437 0.920 0.600 CB 1.706 26 residues pruned to eliminate duplicates Z: 53 27.771 2.002 0.626 0.458 0.942 0.462 CB 1.311 Z: 19 29.929 2.143 0.715 0.893 0.944 0.833 CB 1.458 19 residues pruned to eliminate duplicates Z: 21 41.585 2.257 0.906 0.939 1.000 0.800 CB 1.503 21 residues pruned to eliminate duplicates Z: 19 30.488 2.326 0.427 0.919 0.944 0.611 CB 1.616 19 residues pruned to eliminate duplicates Z: 43 32.049 2.084 0.518 0.606 0.976 0.619 CB 1.448 31 residues pruned to eliminate duplicates Z: 12 18.486 2.136 0.796 0.625 1.000 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 17 27.325 2.359 0.215 0.908 0.938 0.875 CA 1.806 17 residues pruned to eliminate duplicates Z: 26 48.292 2.245 1.257 0.929 0.920 0.720 CB 1.450 26 residues pruned to eliminate duplicates Z: 20 19.939 2.204 0.666 0.377 0.895 0.421 CB 1.587 20 residues pruned to eliminate duplicates Z: 9 16.421 1.977 0.469 0.908 1.000 0.750 CA 1.419 10 residues pruned to eliminate duplicates Z: 31 31.268 2.346 0.763 0.494 0.867 0.600 CB 1.602 31 residues pruned to eliminate duplicates Z: 24 48.599 2.188 0.959 0.947 1.000 0.870 CB 1.634 25 residues pruned to eliminate duplicates Z: 9 15.580 1.941 0.650 0.920 1.000 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 8 7.654 1.733 0.551 0.673 0.714 0.571 CB 1.285 Z: 17 21.908 2.100 0.445 0.901 0.938 0.812 CB 1.374 16 residues pruned to eliminate duplicates Z: 6 12.751 1.992 0.440 0.790 1.000 0.600 CB 1.541 7 residues pruned to eliminate duplicates Z: 11 11.380 1.952 0.437 0.730 0.900 0.700 CB 1.159 10 residues pruned to eliminate duplicates Z: 23 32.906 2.222 0.471 0.948 0.955 0.955 CB 1.552 23 residues pruned to eliminate duplicates Z: 56 43.881 2.184 0.672 0.568 0.964 0.564 CB 1.575 47 residues pruned to eliminate duplicates Z: 20 30.377 2.181 0.435 0.935 0.947 0.895 CA 1.638 20 residues pruned to eliminate duplicates Z: 10 15.292 1.910 0.500 0.898 1.000 0.778 CA 1.273 10 residues pruned to eliminate duplicates Z: 24 42.311 2.213 0.961 0.935 0.957 0.609 CB 1.481 24 residues pruned to eliminate duplicates Z: 10 17.228 2.195 0.615 0.624 0.889 0.778 CA 1.621 Z: 36 42.267 2.319 0.666 0.733 0.943 0.771 CB 1.590 34 residues pruned to eliminate duplicates Z: 61 46.259 2.190 0.719 0.569 0.967 0.567 CB 1.535 64 residues pruned to eliminate duplicates Z: 18 31.444 2.361 0.525 0.903 0.941 0.647 CB 1.605 18 residues pruned to eliminate duplicates Z: 17 37.044 2.395 0.475 0.919 1.000 0.812 CB 1.847 17 residues pruned to eliminate duplicates Z: 17 36.886 2.324 0.984 0.929 0.938 0.812 CB 1.493 17 residues pruned to eliminate duplicates Z: 26 46.170 2.211 1.166 0.950 1.000 0.400 CB 1.330 26 residues pruned to eliminate duplicates Z: 18 27.940 2.296 0.288 0.898 0.941 0.765 CB 1.742 18 residues pruned to eliminate duplicates Z: 19 29.421 2.181 0.539 0.894 1.000 0.667 CB 1.482 19 residues pruned to eliminate duplicates Z: 41 38.300 2.261 0.660 0.642 0.950 0.650 CB 1.487 41 residues pruned to eliminate duplicates Z: 28 19.663 2.006 0.482 0.581 0.926 0.593 CB 1.272 28 residues pruned to eliminate duplicates Z: 45 37.087 2.144 0.764 0.498 0.955 0.500 CB 1.551 43 residues pruned to eliminate duplicates Z: 45 28.177 2.066 0.609 0.509 0.886 0.545 CB 1.428 44 residues pruned to eliminate duplicates Z: 24 47.252 2.226 0.974 0.943 1.000 0.609 CB 1.554 25 residues pruned to eliminate duplicates Z: 24 40.697 2.233 0.799 0.949 0.957 0.826 CB 1.524 24 residues pruned to eliminate duplicates Z: 17 31.265 2.220 0.636 0.911 0.938 0.812 CB 1.627 17 residues pruned to eliminate duplicates Z: 7 14.707 2.067 0.746 0.885 0.833 0.667 CB 1.442 7 residues pruned to eliminate duplicates Z: 20 35.217 2.207 0.615 0.899 1.000 0.789 CB 1.622 20 residues pruned to eliminate duplicates Z: 46 35.000 2.121 0.733 0.514 0.911 0.533 CB 1.537 46 residues pruned to eliminate duplicates Z: 8 16.308 2.031 0.655 0.857 1.000 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 20 32.876 2.323 0.621 0.859 0.947 0.684 CB 1.556 20 residues pruned to eliminate duplicates Z: 19 33.089 2.305 0.507 0.879 1.000 0.667 CB 1.629 19 residues pruned to eliminate duplicates Z: 15 35.609 2.451 0.631 0.936 1.000 0.929 CB 1.658 15 residues pruned to eliminate duplicates Z: 17 11.128 2.032 0.436 0.357 0.812 0.375 CB 1.370 17 residues pruned to eliminate duplicates Z: 20 24.860 2.258 0.253 0.881 0.947 0.842 CB 1.541 20 residues pruned to eliminate duplicates Z: 31 13.357 1.977 0.445 0.316 0.800 0.467 CB 1.307 Z: 21 28.779 2.178 0.655 0.843 0.950 0.650 CB 1.399 21 residues pruned to eliminate duplicates Z: 24 40.304 2.217 0.827 0.941 0.957 0.652 CB 1.506 24 residues pruned to eliminate duplicates Z: 62 43.793 2.180 0.632 0.574 0.951 0.672 CB 1.543 59 residues pruned to eliminate duplicates Z: 27 26.980 2.089 0.767 0.454 0.962 0.731 CB 1.563 27 residues pruned to eliminate duplicates Z: 25 40.057 2.376 1.015 0.537 0.958 0.708 CB 1.719 25 residues pruned to eliminate duplicates Z: 20 26.141 2.236 0.594 0.858 0.895 0.632 CB 1.385 20 residues pruned to eliminate duplicates Z: 20 14.284 1.990 0.249 0.773 0.842 0.684 CB 1.230 20 residues pruned to eliminate duplicates Z: 44 41.859 2.227 0.674 0.632 0.953 0.651 CB 1.586 44 residues pruned to eliminate duplicates Z: 24 44.848 2.218 1.019 0.953 0.957 0.565 CB 1.502 24 residues pruned to eliminate duplicates Z: 39 18.166 1.918 0.577 0.427 0.842 0.500 CB 1.248 70 residues pruned to eliminate duplicates Z: 26 38.724 2.257 0.539 0.944 1.000 0.720 CB 1.543 26 residues pruned to eliminate duplicates Z: 24 41.251 2.317 0.652 0.924 1.000 0.913 CB 1.578 24 residues pruned to eliminate duplicates Z: 27 23.067 2.041 0.607 0.590 0.962 0.538 CB 1.316 27 residues pruned to eliminate duplicates Z: 10 17.169 2.068 0.567 0.855 1.000 0.556 CB 1.303 10 residues pruned to eliminate duplicates Z: 10 15.886 2.098 0.440 0.852 1.000 0.444 CB 1.296 10 residues pruned to eliminate duplicates Z: 17 24.882 2.240 0.397 0.919 1.000 0.875 CB 1.400 17 residues pruned to eliminate duplicates Z: 20 28.138 2.191 0.648 0.866 0.895 0.684 CB 1.463 20 residues pruned to eliminate duplicates Z: 14 22.544 2.074 0.650 0.925 0.846 0.385 CB 1.516 14 residues pruned to eliminate duplicates Z: 26 31.930 2.358 0.776 0.473 0.960 0.720 CB 1.632 36 residues pruned to eliminate duplicates Z: 21 27.636 2.151 0.500 0.803 1.000 0.600 CB 1.470 21 residues pruned to eliminate duplicates Z: 52 35.395 2.151 0.628 0.508 0.941 0.529 CB 1.492 45 residues pruned to eliminate duplicates Z: 19 33.359 2.351 0.469 0.926 1.000 0.889 CB 1.597 19 residues pruned to eliminate duplicates Z: 36 30.236 2.101 0.419 0.712 0.943 0.771 CB 1.500 27 residues pruned to eliminate duplicates Z: 24 30.768 2.115 0.388 0.911 1.000 0.957 CB 1.549 24 residues pruned to eliminate duplicates Z: 41 26.509 2.077 0.696 0.454 0.925 0.600 CB 1.348 41 residues pruned to eliminate duplicates Z: 21 16.248 2.042 0.189 0.767 0.850 0.650 CA 1.390 21 residues pruned to eliminate duplicates Z: 17 23.466 2.126 0.742 0.579 1.000 0.688 CB 1.468 17 residues pruned to eliminate duplicates Z: 24 43.399 2.349 0.842 0.952 0.957 0.783 CB 1.506 24 residues pruned to eliminate duplicates Z: 24 63.031 2.417 1.395 0.958 0.957 0.435 CB 1.628 24 residues pruned to eliminate duplicates Z: 18 26.896 2.140 0.483 0.889 0.941 0.824 CB 1.572 18 residues pruned to eliminate duplicates Z: 38 35.139 2.224 0.714 0.613 0.892 0.622 CB 1.527 38 residues pruned to eliminate duplicates Z: 30 21.486 2.007 0.469 0.520 0.966 0.552 CB 1.374 30 residues pruned to eliminate duplicates Z: 21 24.574 2.190 0.381 0.878 0.900 0.750 CB 1.464 21 residues pruned to eliminate duplicates Z: 66 52.477 2.298 0.740 0.575 0.954 0.646 CB 1.588 66 residues pruned to eliminate duplicates Z: 25 51.626 2.332 1.016 0.934 1.000 0.833 CB 1.563 25 residues pruned to eliminate duplicates Z: 65 41.108 2.231 0.635 0.583 0.875 0.688 CB 1.487 61 residues pruned to eliminate duplicates Z: 40 25.636 2.045 0.512 0.643 0.821 0.692 CB 1.415 36 residues pruned to eliminate duplicates Z: 25 36.760 2.460 0.675 0.481 1.000 0.667 CA 1.856 25 residues pruned to eliminate duplicates Z: 24 38.293 2.236 0.708 0.954 0.957 0.739 CB 1.503 33 residues pruned to eliminate duplicates Z: 20 39.987 2.256 1.048 0.946 0.842 0.474 CB 1.630 20 residues pruned to eliminate duplicates Z: 24 32.265 2.341 0.802 0.501 1.000 0.652 CB 1.593 24 residues pruned to eliminate duplicates Z: 25 61.854 2.358 1.308 0.913 1.000 0.542 CB 1.641 25 residues pruned to eliminate duplicates Z: 40 26.009 2.107 0.560 0.496 0.949 0.385 CB 1.341 40 residues pruned to eliminate duplicates Z: 25 40.134 2.291 0.804 0.939 0.958 0.625 CB 1.438 25 residues pruned to eliminate duplicates Z: 71 39.378 2.171 0.691 0.526 0.900 0.571 CB 1.388 67 residues pruned to eliminate duplicates Z: 53 29.312 2.090 0.654 0.451 0.885 0.538 CB 1.397 53 residues pruned to eliminate duplicates Z: 7 7.294 2.013 0.505 0.463 0.833 0.667 CB 1.225 7 residues pruned to eliminate duplicates Z: 21 26.140 2.132 0.388 0.911 0.950 0.900 CB 1.474 21 residues pruned to eliminate duplicates Z: 10 11.830 1.971 0.489 0.644 0.889 0.889 CB 1.322 10 residues pruned to eliminate duplicates Z: 24 39.956 2.248 0.694 0.951 0.957 0.870 CB 1.577 28 residues pruned to eliminate duplicates Z: 100 59.031 2.218 0.690 0.567 0.960 0.596 CB 1.545 126 residues pruned to eliminate duplicates Z: 25 24.372 2.072 0.474 0.706 0.958 0.708 CB 1.409 25 residues pruned to eliminate duplicates Z: 46 33.997 2.109 0.737 0.514 0.911 0.533 CB 1.499 46 residues pruned to eliminate duplicates Z: 84 56.726 2.274 0.888 0.612 0.867 0.542 CB 1.503 173 residues pruned to eliminate duplicates Z: 25 48.111 2.183 1.118 0.954 1.000 0.458 CB 1.461 24 residues pruned to eliminate duplicates Z: 44 29.080 2.049 0.943 0.430 0.814 0.512 CB 1.472 44 residues pruned to eliminate duplicates Z: 6 8.491 2.087 0.814 0.503 0.600 0.600 CA 1.667 6 residues pruned to eliminate duplicates Z: 25 59.673 2.355 1.408 0.942 0.958 0.625 CB 1.554 25 residues pruned to eliminate duplicates Z: 28 28.891 2.036 0.717 0.582 1.000 0.556 CB 1.470 28 residues pruned to eliminate duplicates Z: 26 39.864 2.217 0.878 0.945 1.000 0.760 CB 1.325 26 residues pruned to eliminate duplicates Z: 41 23.570 1.976 0.536 0.481 0.900 0.575 CB 1.391 Z: 19 32.747 2.283 0.660 0.888 0.944 0.778 CB 1.554 19 residues pruned to eliminate duplicates Z: 153 68.673 2.274 0.666 0.554 0.895 0.592 CB 1.560 148 residues pruned to eliminate duplicates Z: 16 41.759 2.241 1.147 0.902 1.000 0.600 CB 1.599 Z: 6 7.924 1.776 0.476 0.872 1.000 0.800 CA 0.985 6 residues pruned to eliminate duplicates Z: 59 51.676 2.316 0.822 0.585 0.948 0.621 CB 1.563 59 residues pruned to eliminate duplicates Z: 12 8.528 1.979 0.107 0.794 0.727 0.455 CB 1.247 12 residues pruned to eliminate duplicates Z: 20 26.985 2.169 0.404 0.851 1.000 0.579 CA 1.505 20 residues pruned to eliminate duplicates Z: 8 5.928 1.924 0.155 0.495 1.000 0.571 CB 1.014 Z: 17 24.548 2.133 0.461 0.872 0.938 0.688 CB 1.532 17 residues pruned to eliminate duplicates Z: 9 15.671 2.117 0.847 0.444 1.000 0.500 CB 1.501 9 residues pruned to eliminate duplicates Z: 25 33.867 2.225 0.427 0.944 1.000 0.958 CB 1.508 25 residues pruned to eliminate duplicates Z: 54 29.066 2.062 0.707 0.464 0.868 0.528 CB 1.356 54 residues pruned to eliminate duplicates Z: 25 40.362 2.313 0.813 0.944 0.917 0.833 CB 1.485 25 residues pruned to eliminate duplicates Z: 25 62.071 2.358 1.291 0.958 1.000 0.667 CB 1.609 25 residues pruned to eliminate duplicates Z: 24 46.663 2.376 1.003 0.962 0.957 0.696 CB 1.462 24 residues pruned to eliminate duplicates Z: 27 43.520 2.173 1.168 0.921 0.923 0.538 CB 1.381 27 residues pruned to eliminate duplicates Z: 25 57.019 2.303 1.447 0.942 0.958 0.375 CB 1.494 16 residues pruned to eliminate duplicates Z: 8 19.150 2.125 1.060 0.708 1.000 0.857 CB 1.369 9 residues pruned to eliminate duplicates Z: 93 53.658 2.216 0.758 0.545 0.924 0.630 CB 1.486 93 residues pruned to eliminate duplicates Z: 20 34.095 2.266 0.654 0.944 0.895 0.737 CB 1.615 20 residues pruned to eliminate duplicates Z: 50 49.995 2.258 0.802 0.667 0.959 0.735 CB 1.567 75 residues pruned to eliminate duplicates Z: 19 32.460 2.309 0.627 0.900 0.944 0.556 CB 1.540 19 residues pruned to eliminate duplicates Z: 61 35.120 2.136 0.593 0.548 0.900 0.617 CB 1.412 26 residues pruned to eliminate duplicates Z: 7 5.720 1.908 0.654 0.430 0.833 0.500 CB 0.955 Z: 10 18.176 2.092 0.613 0.897 0.889 0.667 CB 1.446 10 residues pruned to eliminate duplicates Z: 88 58.265 2.182 0.956 0.585 0.931 0.494 CB 1.449 88 residues pruned to eliminate duplicates Z: 17 34.981 2.315 0.596 0.900 1.000 0.688 CB 1.691 17 residues pruned to eliminate duplicates Z: 6 2.467 1.488 -0.020 0.429 0.800 0.200 C 1.018 Z: 7 3.473 1.659 0.179 0.344 0.667 0.333 N 1.288 Z: 27 45.913 2.194 1.008 0.931 0.962 0.500 CB 1.486 27 residues pruned to eliminate duplicates Z: 19 25.043 2.254 0.224 0.904 0.944 0.889 CB 1.614 19 residues pruned to eliminate duplicates Z: 35 25.107 2.152 0.612 0.409 0.912 0.441 CB 1.498 35 residues pruned to eliminate duplicates Z: 80 46.250 2.145 0.634 0.563 0.937 0.633 CB 1.491 40 residues pruned to eliminate duplicates Z: 52 28.346 2.062 0.627 0.473 0.863 0.529 CB 1.410 53 residues pruned to eliminate duplicates Z: 33 31.997 2.155 0.485 0.717 0.969 0.750 CB 1.499 33 residues pruned to eliminate duplicates Z: 70 33.399 2.107 0.481 0.533 0.870 0.594 CB 1.434 70 residues pruned to eliminate duplicates Z: 17 15.127 2.046 0.514 0.535 0.875 0.562 CB 1.347 17 residues pruned to eliminate duplicates Z: 46 39.057 2.185 0.770 0.577 0.911 0.711 CB 1.534 46 residues pruned to eliminate duplicates Z: 7 5.275 1.756 -0.228 0.776 1.000 0.833 O 1.244 Z: 6 12.386 1.866 0.538 0.802 1.000 0.400 CB 1.483 Z: 59 47.564 2.343 0.620 0.576 0.914 0.690 CB 1.673 59 residues pruned to eliminate duplicates Z: 47 31.630 2.118 0.627 0.520 0.913 0.522 CB 1.454 47 residues pruned to eliminate duplicates Z: 43 39.513 2.268 0.723 0.610 0.905 0.619 CB 1.554 43 residues pruned to eliminate duplicates Z: 23 17.713 2.030 0.690 0.409 0.864 0.545 CB 1.403 23 residues pruned to eliminate duplicates Z: 36 53.372 2.284 1.250 0.717 0.943 0.486 CB 1.529 36 residues pruned to eliminate duplicates Z: 7 2.416 1.753 -0.484 0.646 0.833 0.500 CB 1.142 Z: 50 31.514 2.104 0.570 0.510 0.939 0.531 CB 1.437 50 residues pruned to eliminate duplicates Z: 109 62.978 2.309 0.635 0.580 0.944 0.676 CB 1.573 109 residues pruned to eliminate duplicates Z: 8 12.601 2.494 0.524 0.345 0.857 0.857 CA 1.730 8 residues pruned to eliminate duplicates Z: 15 15.811 1.950 0.464 0.655 0.929 0.786 CB 1.380 7 residues pruned to eliminate duplicates Z: 38 27.503 2.100 0.543 0.497 0.919 0.486 CB 1.523 38 residues pruned to eliminate duplicates Z: 8 3.246 1.669 -0.179 0.298 0.857 0.286 C 1.309 6 residues pruned to eliminate duplicates Z: 32 25.578 2.157 0.506 0.512 0.935 0.613 CB 1.494 32 residues pruned to eliminate duplicates Z: 12 22.105 2.021 0.662 0.924 0.909 0.455 CB 1.534 12 residues pruned to eliminate duplicates Z: 24 45.609 2.220 1.067 0.948 0.957 0.348 CB 1.496 24 residues pruned to eliminate duplicates Z: 62 27.929 2.024 0.644 0.452 0.852 0.541 CB 1.324 62 residues pruned to eliminate duplicates Z: 9 25.851 2.097 1.268 0.794 1.000 0.750 CA 1.486 9 residues pruned to eliminate duplicates Z: 8 4.830 1.772 0.034 0.621 0.857 0.429 CB 1.037 Z: 19 22.926 2.306 0.461 0.487 0.944 0.500 CB 1.721 19 residues pruned to eliminate duplicates Z: 25 32.066 2.157 0.411 0.926 1.000 0.833 CB 1.508 25 residues pruned to eliminate duplicates Z: 31 19.678 1.951 0.618 0.428 0.900 0.433 CB 1.363 29 residues pruned to eliminate duplicates Z: 43 40.332 2.121 0.928 0.662 0.905 0.452 CB 1.447 43 residues pruned to eliminate duplicates Z: 19 30.063 2.109 0.603 0.877 0.944 0.611 CB 1.611 19 residues pruned to eliminate duplicates Z: 24 50.077 2.365 0.985 0.946 1.000 0.739 CB 1.537 24 residues pruned to eliminate duplicates Z: 6 4.614 1.684 0.316 0.477 0.800 0.800 CA 1.191 6 residues pruned to eliminate duplicates Z: 52 31.996 2.116 0.600 0.498 0.941 0.471 CB 1.410 52 residues pruned to eliminate duplicates Z: 35 28.702 2.081 0.465 0.667 0.882 0.559 CB 1.569 35 residues pruned to eliminate duplicates Z: 15 41.911 2.271 1.192 0.952 1.000 0.643 CB 1.549 15 residues pruned to eliminate duplicates Z: 29 19.264 2.034 0.760 0.412 0.893 0.607 CB 1.248 29 residues pruned to eliminate duplicates Z: 10 17.725 1.903 0.640 0.883 1.000 0.889 CB 1.368 10 residues pruned to eliminate duplicates Z: 13 6.879 1.676 -0.008 0.511 0.917 0.417 CB 1.289 8 residues pruned to eliminate duplicates Z: 22 35.268 2.236 0.599 0.891 1.000 0.857 CB 1.548 22 residues pruned to eliminate duplicates Z: 52 34.494 2.132 0.678 0.495 0.941 0.471 CB 1.442 52 residues pruned to eliminate duplicates Z: 28 31.205 2.305 0.881 0.465 0.889 0.667 CB 1.616 28 residues pruned to eliminate duplicates Z: 62 52.218 2.328 0.677 0.606 0.967 0.656 CB 1.600 62 residues pruned to eliminate duplicates Z: 24 27.569 2.107 0.385 0.898 0.957 0.826 CB 1.473 24 residues pruned to eliminate duplicates Z: 8 5.413 1.812 0.320 0.259 0.714 0.429 O 1.577 8 residues pruned to eliminate duplicates Z: 29 25.409 2.061 0.576 0.544 1.000 0.393 CB 1.416 29 residues pruned to eliminate duplicates Z: 28 18.835 1.926 0.672 0.427 0.889 0.481 CB 1.367 28 residues pruned to eliminate duplicates Z: 51 28.623 2.110 0.515 0.445 0.940 0.480 CB 1.425 51 residues pruned to eliminate duplicates Z: 15 23.539 2.259 0.841 0.562 0.857 0.786 CB 1.662 15 residues pruned to eliminate duplicates Z: 24 17.930 1.916 0.591 0.629 0.913 0.565 CB 1.190 24 residues pruned to eliminate duplicates Z: 31 21.714 1.982 0.580 0.555 1.000 0.567 CB 1.200 31 residues pruned to eliminate duplicates Z: 111 71.352 2.312 0.820 0.571 0.955 0.582 CB 1.581 111 residues pruned to eliminate duplicates Z: 26 34.712 2.298 0.697 0.564 1.000 0.800 CB 1.673 26 residues pruned to eliminate duplicates Z: 6 11.598 2.166 0.863 0.562 0.800 0.600 CA 1.512 6 residues pruned to eliminate duplicates Z: 14 14.458 2.060 0.472 0.504 0.846 0.615 CB 1.556 14 residues pruned to eliminate duplicates Z: 15 17.591 2.061 0.876 0.553 0.857 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 7 6.038 1.858 -0.098 0.582 0.833 0.667 C 1.631 7 residues pruned to eliminate duplicates Z: 40 27.178 2.022 0.646 0.541 0.949 0.564 CB 1.324 40 residues pruned to eliminate duplicates Z: 6 4.150 1.378 0.616 0.585 0.800 0.800 C 0.960 Z: 6 2.773 1.633 -0.255 0.491 0.800 0.600 N 1.285 Z: 6 2.957 1.484 -0.109 0.481 0.800 0.800 N 1.275 Z: 119 60.637 2.174 0.790 0.572 0.907 0.475 CB 1.476 199 residues pruned to eliminate duplicates Z: 17 11.799 2.042 0.545 0.405 0.875 0.438 CB 1.180 17 residues pruned to eliminate duplicates Z: 42 27.890 2.055 0.676 0.540 0.902 0.561 CB 1.347 Z: 16 28.243 2.296 0.389 0.898 0.933 0.800 CA 1.754 16 residues pruned to eliminate duplicates Z: 10 17.555 2.057 0.321 0.895 1.000 1.000 CA 1.544 10 residues pruned to eliminate duplicates Z: 9 13.808 1.964 0.388 0.878 1.000 0.875 CB 1.299 9 residues pruned to eliminate duplicates Z: 7 2.876 1.784 0.385 0.465 0.667 0.500 CB 0.739 2 residues pruned to eliminate duplicates Z: 43 49.240 2.208 1.182 0.630 0.952 0.381 CB 1.466 Z: 8 2.853 1.710 0.330 0.353 0.714 0.571 CB 0.778 8 residues pruned to eliminate duplicates Z: 21 28.486 2.078 0.610 0.835 0.950 0.750 CB 1.501 21 residues pruned to eliminate duplicates Z: 49 30.421 2.092 0.770 0.472 0.854 0.479 CB 1.428 49 residues pruned to eliminate duplicates Z: 54 39.830 2.267 0.753 0.501 0.943 0.566 CB 1.457 54 residues pruned to eliminate duplicates Z: 18 41.264 2.095 1.186 0.952 1.000 0.471 CB 1.505 18 residues pruned to eliminate duplicates Z: 28 17.364 2.033 0.624 0.375 0.889 0.556 CB 1.300 28 residues pruned to eliminate duplicates Z: 9 5.584 1.776 -0.013 0.457 0.875 0.625 N 1.345 9 residues pruned to eliminate duplicates Z: 11 8.714 1.973 0.217 0.430 0.900 0.500 CB 1.370 Z: 19 42.729 2.373 1.097 0.949 1.000 0.778 CB 1.397 19 residues pruned to eliminate duplicates Z: 9 16.711 2.033 0.717 0.895 1.000 0.875 CB 1.213 9 residues pruned to eliminate duplicates Z: 20 11.922 1.882 0.579 0.420 0.842 0.526 CB 1.188 20 residues pruned to eliminate duplicates Z: 58 49.608 2.299 0.777 0.556 0.947 0.684 CB 1.609 58 residues pruned to eliminate duplicates Z: 49 32.153 2.100 0.716 0.515 0.938 0.583 CB 1.354 48 residues pruned to eliminate duplicates Z: 21 16.253 1.933 0.719 0.429 0.750 0.450 CA 1.570 21 residues pruned to eliminate duplicates Z: 8 7.940 1.606 0.459 0.588 0.857 0.429 CA 1.373 Z: 18 23.082 2.067 0.501 0.861 0.941 0.882 CA 1.409 18 residues pruned to eliminate duplicates Z: 31 13.399 1.913 0.450 0.362 0.833 0.400 CB 1.228 31 residues pruned to eliminate duplicates Z: 23 41.721 2.236 1.021 0.935 0.955 0.455 CB 1.437 23 residues pruned to eliminate duplicates Z: 42 26.950 2.071 0.557 0.483 0.951 0.537 CB 1.396 42 residues pruned to eliminate duplicates Z: 42 26.707 2.037 0.593 0.528 0.927 0.561 CB 1.349 42 residues pruned to eliminate duplicates Z: 52 26.123 2.086 0.515 0.456 0.882 0.510 CB 1.371 52 residues pruned to eliminate duplicates Z: 10 26.231 2.140 0.948 0.912 1.000 0.667 CB 1.485 10 residues pruned to eliminate duplicates Z: 17 34.916 2.429 0.542 0.928 1.000 0.875 CB 1.632 17 residues pruned to eliminate duplicates Z: 45 32.308 2.051 0.734 0.502 0.864 0.477 CB 1.583 45 residues pruned to eliminate duplicates Z: 9 24.230 2.058 1.124 0.860 0.875 0.500 CA 1.647 9 residues pruned to eliminate duplicates Z: 7 8.720 1.981 0.360 0.374 1.000 0.333 CA 1.512 7 residues pruned to eliminate duplicates Z: 64 43.158 2.204 0.656 0.560 0.937 0.635 CB 1.500 64 residues pruned to eliminate duplicates Z: 8 16.445 2.007 0.683 0.865 1.000 0.857 CB 1.347 8 residues pruned to eliminate duplicates 6 1.962 1.581 -0.077 0.465 0.600 0.400 C 1.039 ? Z: 89 51.108 2.223 0.634 0.565 0.932 0.602 CB 1.511 89 residues pruned to eliminate duplicates Z: 56 34.673 2.121 0.653 0.494 0.909 0.564 CB 1.475 55 residues pruned to eliminate duplicates Z: 27 35.695 2.229 0.930 0.535 0.962 0.692 CB 1.635 27 residues pruned to eliminate duplicates Z: 11 9.836 1.955 0.394 0.583 0.800 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 52 37.302 2.144 0.720 0.479 0.961 0.549 CB 1.506 52 residues pruned to eliminate duplicates Z: 7 2.262 1.461 0.566 0.248 0.667 0.500 O 0.810 7 residues pruned to eliminate duplicates Z: 104 56.746 2.246 0.660 0.536 0.951 0.602 CB 1.521 104 residues pruned to eliminate duplicates Z: 124 49.485 2.112 0.539 0.541 0.919 0.634 CB 1.435 186 residues pruned to eliminate duplicates Z: 23 20.509 1.942 0.642 0.651 0.955 0.682 CB 1.249 23 residues pruned to eliminate duplicates Z: 8 3.942 1.900 0.492 0.342 0.571 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 8 3.921 1.480 0.024 0.595 0.714 0.714 CB 1.250 7 residues pruned to eliminate duplicates 9 1.803 1.610 0.142 0.270 0.500 0.375 CB 0.900 ? Z: 64 46.017 2.308 0.661 0.594 0.921 0.667 CB 1.501 64 residues pruned to eliminate duplicates 6 0.230 1.541 0.816 0.648 0.800 0.400 CB 0.040 ? Z: 7 3.661 1.660 0.701 0.368 0.833 0.667 CB 0.732 Z: 17 26.478 2.349 0.474 0.849 0.875 0.750 CB 1.619 17 residues pruned to eliminate duplicates Z: 12 3.892 1.583 0.033 0.515 0.818 0.636 CB 0.864 Z: 49 30.564 2.127 0.607 0.492 0.896 0.479 CB 1.453 50 residues pruned to eliminate duplicates Z: 8 3.827 1.486 0.372 0.468 0.857 0.429 N 0.855 Z: 85 55.516 2.280 0.758 0.606 0.917 0.512 CB 1.491 85 residues pruned to eliminate duplicates Z: 6 6.281 1.524 1.023 0.658 0.800 0.600 CA 0.983 6 residues pruned to eliminate duplicates 6 1.205 1.424 0.576 0.281 0.600 0.400 CB 0.513 ? Z: 64 51.785 2.319 0.757 0.576 0.937 0.698 CB 1.588 64 residues pruned to eliminate duplicates Z: 74 57.989 2.264 0.951 0.651 0.904 0.603 CB 1.477 74 residues pruned to eliminate duplicates Z: 45 46.982 2.230 1.043 0.648 0.909 0.477 CB 1.489 45 residues pruned to eliminate duplicates Z: 8 2.697 1.530 0.053 0.226 0.857 0.429 CB 1.017 Z: 11 5.680 1.748 0.296 0.395 0.800 0.600 CB 1.107 Z: 27 18.764 2.037 0.718 0.418 0.846 0.538 CB 1.354 11 residues pruned to eliminate duplicates Z: 6 5.705 1.791 -0.113 0.788 1.000 0.800 O 1.247 6 residues pruned to eliminate duplicates Z: 6 3.830 1.762 0.119 0.287 0.800 0.600 CB 1.380 Z: 10 29.286 2.135 1.137 0.922 1.000 0.778 CB 1.505 10 residues pruned to eliminate duplicates Z: 20 30.385 2.119 0.575 0.849 1.000 0.684 CB 1.548 20 residues pruned to eliminate duplicates Z: 7 2.260 1.569 0.667 0.226 0.500 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 10 4.076 1.699 0.184 0.251 0.667 0.444 CB 1.348 10 residues pruned to eliminate duplicates Z: 39 29.392 2.121 0.526 0.608 0.868 0.579 CB 1.531 39 residues pruned to eliminate duplicates Z: 13 15.210 2.034 0.501 0.835 0.833 0.500 CB 1.293 13 residues pruned to eliminate duplicates Z: 60 36.963 2.184 0.637 0.547 0.881 0.610 CB 1.458 60 residues pruned to eliminate duplicates Z: 17 29.104 2.373 0.272 0.935 1.000 0.812 CB 1.679 17 residues pruned to eliminate duplicates Z: 12 4.310 1.624 0.233 0.346 0.727 0.364 CB 1.055 Z: 18 19.583 1.983 0.378 0.836 0.882 0.412 CA 1.475 18 residues pruned to eliminate duplicates Z: 8 2.582 1.551 -0.025 0.508 0.714 0.429 C 0.897 7 residues pruned to eliminate duplicates Z: 8 14.252 2.108 0.675 0.533 1.000 0.714 CB 1.477 8 residues pruned to eliminate duplicates Z: 82 55.008 2.277 0.735 0.630 0.914 0.617 CB 1.498 82 residues pruned to eliminate duplicates Z: 8 5.931 1.804 -0.309 0.748 1.000 0.571 N 1.442 8 residues pruned to eliminate duplicates Z: 8 6.282 1.884 -0.170 0.738 0.857 0.857 CB 1.432 Z: 90 53.168 2.228 0.723 0.552 0.921 0.539 CB 1.515 90 residues pruned to eliminate duplicates Z: 22 18.525 1.995 0.329 0.722 0.952 0.619 CA 1.311 22 residues pruned to eliminate duplicates Z: 8 9.084 1.811 0.157 0.621 1.000 0.571 CA 1.461 8 residues pruned to eliminate duplicates Z: 101 50.387 2.213 0.636 0.570 0.910 0.660 CB 1.429 101 residues pruned to eliminate duplicates Z: 6 2.753 1.764 -0.115 0.482 0.600 0.600 CB 1.338 Z: 6 3.659 1.658 0.120 0.536 0.800 0.600 O 1.063 Z: 8 3.713 1.533 0.628 0.454 0.714 0.571 CA 0.825 8 residues pruned to eliminate duplicates Z: 10 3.601 1.750 -0.012 0.311 0.889 0.222 CB 0.962 6 residues pruned to eliminate duplicates Z: 11 4.927 1.774 0.391 0.208 0.900 0.400 CB 0.991 11 residues pruned to eliminate duplicates Z: 22 20.624 2.010 0.544 0.485 0.952 0.571 CB 1.545 22 residues pruned to eliminate duplicates Z: 50 37.143 2.102 0.687 0.528 0.939 0.592 CB 1.551 50 residues pruned to eliminate duplicates Z: 41 23.491 2.089 0.503 0.440 0.875 0.550 CB 1.438 41 residues pruned to eliminate duplicates Z: 74 48.299 2.133 0.753 0.613 0.932 0.521 CB 1.458 46 residues pruned to eliminate duplicates Z: 16 14.288 2.043 0.453 0.546 0.800 0.600 CB 1.485 16 residues pruned to eliminate duplicates Z: 6 12.448 2.051 0.562 0.845 0.800 0.200 CA 1.615 6 residues pruned to eliminate duplicates Z: 16 18.772 2.047 0.703 0.520 0.933 0.733 CA 1.460 16 residues pruned to eliminate duplicates Z: 35 31.627 2.226 0.685 0.550 0.941 0.676 CB 1.464 35 residues pruned to eliminate duplicates Z: 7 3.121 1.187 0.132 0.678 1.000 0.500 CB 0.805 Z: 39 33.304 2.296 0.753 0.508 0.921 0.605 CB 1.445 39 residues pruned to eliminate duplicates Z: 39 22.283 1.800 0.768 0.437 0.895 0.447 CB 1.355 39 residues pruned to eliminate duplicates Z: 40 38.352 2.230 0.765 0.663 0.923 0.718 CB 1.453 40 residues pruned to eliminate duplicates Z: 59 31.567 2.158 0.618 0.486 0.828 0.603 CB 1.454 59 residues pruned to eliminate duplicates Z: 18 15.389 2.120 0.786 0.303 0.824 0.529 CB 1.490 18 residues pruned to eliminate duplicates Z: 53 34.802 2.140 0.803 0.524 0.865 0.538 CB 1.412 53 residues pruned to eliminate duplicates Z: 28 21.844 2.164 0.622 0.445 0.852 0.593 CB 1.489 28 residues pruned to eliminate duplicates Z: 6 6.876 1.978 0.751 0.182 0.800 0.600 CA 1.627 Using tripeptides from previous cycle as seeds Z: 11 25.374 2.117 0.752 0.769 1.000 0.800 CB 1.705 11 residues pruned to eliminate duplicates Z: 58 38.384 2.179 0.739 0.462 0.930 0.544 CB 1.500 63 residues pruned to eliminate duplicates Z: 10 24.393 2.131 1.008 0.902 0.889 0.556 CB 1.525 10 residues pruned to eliminate duplicates Z: 45 36.753 2.164 0.737 0.531 0.932 0.568 CB 1.534 46 residues pruned to eliminate duplicates Z: 10 23.745 2.068 1.025 0.903 0.889 0.222 CB 1.516 10 residues pruned to eliminate duplicates Z: 133 64.543 2.242 0.649 0.578 0.939 0.629 CB 1.501 133 residues pruned to eliminate duplicates Z: 53 33.020 2.124 0.642 0.502 0.942 0.596 CB 1.391 53 residues pruned to eliminate duplicates Z: 32 28.881 2.087 0.761 0.560 0.935 0.484 CB 1.423 32 residues pruned to eliminate duplicates Z: 47 38.401 2.134 0.788 0.518 0.935 0.565 CB 1.560 58 residues pruned to eliminate duplicates Z: 93 56.031 2.238 0.769 0.565 0.902 0.630 CB 1.535 92 residues pruned to eliminate duplicates Z: 12 22.342 2.085 0.990 0.628 0.909 0.273 CA 1.582 12 residues pruned to eliminate duplicates Z: 53 32.842 2.138 0.626 0.475 0.923 0.481 CB 1.456 53 residues pruned to eliminate duplicates Z: 6 2.648 1.747 0.442 0.228 1.000 0.200 CB 0.646 6 residues pruned to eliminate duplicates Z: 46 37.583 2.123 0.865 0.505 0.933 0.489 CB 1.509 46 residues pruned to eliminate duplicates Z: 52 35.694 2.146 0.713 0.482 0.941 0.451 CB 1.471 52 residues pruned to eliminate duplicates Z: 94 53.313 2.200 0.724 0.547 0.925 0.559 CB 1.505 94 residues pruned to eliminate duplicates Z: 35 27.511 2.113 0.634 0.504 0.912 0.471 CB 1.493 35 residues pruned to eliminate duplicates Z: 53 33.738 2.111 0.686 0.481 0.904 0.519 CB 1.482 53 residues pruned to eliminate duplicates Z: 50 32.701 2.094 0.722 0.496 0.878 0.531 CB 1.483 50 residues pruned to eliminate duplicates Z: 54 30.828 2.069 0.695 0.434 0.887 0.509 CB 1.458 54 residues pruned to eliminate duplicates Z: 56 32.716 2.128 0.690 0.460 0.873 0.527 CB 1.465 56 residues pruned to eliminate duplicates Z: 52 36.977 2.141 0.745 0.508 0.941 0.451 CB 1.461 52 residues pruned to eliminate duplicates Z: 51 36.261 2.097 0.814 0.504 0.920 0.500 CB 1.459 51 residues pruned to eliminate duplicates Z: 93 55.701 2.216 0.747 0.563 0.913 0.554 CB 1.545 93 residues pruned to eliminate duplicates Z: 6 11.591 1.803 0.807 0.471 1.000 0.800 C 1.640 6 residues pruned to eliminate duplicates Z: 39 39.028 2.302 0.700 0.646 0.921 0.763 CB 1.533 39 residues pruned to eliminate duplicates Z: 57 39.330 2.224 0.781 0.559 0.839 0.661 CB 1.492 57 residues pruned to eliminate duplicates Z: 87 53.297 2.265 0.732 0.608 0.884 0.593 CB 1.496 87 residues pruned to eliminate duplicates Z: 77 48.719 2.229 0.736 0.560 0.908 0.566 CB 1.502 77 residues pruned to eliminate duplicates Z: 102 56.408 2.297 0.631 0.612 0.901 0.673 CB 1.496 102 residues pruned to eliminate duplicates Z: 123 59.644 2.236 0.696 0.563 0.902 0.648 CB 1.486 123 residues pruned to eliminate duplicates Z: 37 41.720 2.350 0.691 0.680 0.944 0.750 CB 1.570 37 residues pruned to eliminate duplicates Z: 88 56.578 2.304 0.699 0.616 0.908 0.678 CB 1.528 88 residues pruned to eliminate duplicates Z: 96 53.782 2.201 0.740 0.540 0.926 0.537 CB 1.496 96 residues pruned to eliminate duplicates Z: 68 38.570 2.243 0.655 0.540 0.881 0.627 CB 1.385 68 residues pruned to eliminate duplicates Z: 151 66.032 2.231 0.704 0.559 0.900 0.620 CB 1.488 151 residues pruned to eliminate duplicates Z: 91 55.902 2.247 0.778 0.575 0.900 0.544 CB 1.524 91 residues pruned to eliminate duplicates Z: 89 53.344 2.286 0.696 0.610 0.875 0.648 CB 1.510 89 residues pruned to eliminate duplicates Z: 48 43.499 2.291 0.747 0.679 0.894 0.723 CB 1.506 48 residues pruned to eliminate duplicates Z: 84 57.252 2.256 0.846 0.638 0.892 0.590 CB 1.488 84 residues pruned to eliminate duplicates Z: 84 58.684 2.243 0.879 0.604 0.916 0.566 CB 1.512 84 residues pruned to eliminate duplicates Z: 24 47.551 2.370 0.865 0.936 1.000 0.652 CB 1.562 24 residues pruned to eliminate duplicates Z: 95 66.737 2.338 0.793 0.623 0.936 0.617 CB 1.563 95 residues pruned to eliminate duplicates Z: 42 40.571 2.263 0.922 0.661 0.878 0.561 CB 1.429 42 residues pruned to eliminate duplicates Z: 106 65.813 2.313 0.771 0.595 0.924 0.562 CB 1.550 106 residues pruned to eliminate duplicates Z: 60 50.482 2.318 0.885 0.593 0.915 0.542 CB 1.504 60 residues pruned to eliminate duplicates Z: 35 46.374 2.352 0.972 0.724 0.912 0.412 CB 1.537 35 residues pruned to eliminate duplicates Z: 92 57.233 2.217 0.865 0.572 0.901 0.451 CB 1.503 93 residues pruned to eliminate duplicates Z: 27 52.023 2.186 1.222 0.916 0.962 0.500 CB 1.542 27 residues pruned to eliminate duplicates Z: 120 67.894 2.297 0.787 0.561 0.916 0.571 CB 1.561 120 residues pruned to eliminate duplicates Z: 84 55.967 2.216 0.880 0.584 0.916 0.506 CB 1.486 84 residues pruned to eliminate duplicates Z: 93 57.920 2.234 0.849 0.555 0.913 0.478 CB 1.517 93 residues pruned to eliminate duplicates Z: 41 47.226 2.335 0.968 0.652 0.900 0.525 CB 1.567 41 residues pruned to eliminate duplicates Z: 53 43.814 2.298 0.820 0.581 0.885 0.462 CB 1.519 53 residues pruned to eliminate duplicates Z: 89 57.337 2.246 0.813 0.560 0.909 0.477 CB 1.557 89 residues pruned to eliminate duplicates Z: 91 61.877 2.246 0.923 0.573 0.922 0.556 CB 1.526 91 residues pruned to eliminate duplicates Z: 40 38.755 2.254 0.877 0.637 0.846 0.385 CB 1.524 40 residues pruned to eliminate duplicates Z: 54 47.733 2.301 0.920 0.615 0.868 0.434 CB 1.534 54 residues pruned to eliminate duplicates Z: 77 60.977 2.315 0.846 0.660 0.921 0.579 CB 1.532 77 residues pruned to eliminate duplicates Z: 125 61.086 2.214 0.768 0.562 0.887 0.492 CB 1.487 125 residues pruned to eliminate duplicates Z: 37 50.680 2.323 1.043 0.717 0.944 0.528 CB 1.548 37 residues pruned to eliminate duplicates Z: 56 50.881 2.299 0.976 0.593 0.927 0.545 CB 1.490 56 residues pruned to eliminate duplicates Z: 46 49.110 2.278 1.029 0.620 0.911 0.489 CB 1.553 46 residues pruned to eliminate duplicates Z: 51 45.401 2.279 0.946 0.596 0.900 0.460 CB 1.468 51 residues pruned to eliminate duplicates Z: 50 44.970 2.293 0.942 0.555 0.898 0.490 CB 1.524 50 residues pruned to eliminate duplicates Z: 106 56.235 2.190 0.867 0.541 0.886 0.505 CB 1.456 106 residues pruned to eliminate duplicates Z: 43 33.450 2.248 0.581 0.636 0.881 0.643 CB 1.451 43 residues pruned to eliminate duplicates Z: 107 56.182 2.236 0.628 0.546 0.934 0.642 CB 1.534 107 residues pruned to eliminate duplicates Z: 15 19.619 2.277 0.646 0.530 0.929 0.714 CB 1.462 15 residues pruned to eliminate duplicates Z: 46 38.754 2.188 0.598 0.644 0.956 0.667 CB 1.511 46 residues pruned to eliminate duplicates Z: 64 50.733 2.340 0.636 0.569 0.968 0.683 CB 1.614 64 residues pruned to eliminate duplicates Z: 37 38.006 2.265 0.727 0.628 0.889 0.667 CB 1.616 37 residues pruned to eliminate duplicates Z: 17 16.931 2.061 0.604 0.563 1.000 0.625 CB 1.205 17 residues pruned to eliminate duplicates Z: 38 38.866 2.260 0.685 0.664 0.919 0.676 CB 1.570 38 residues pruned to eliminate duplicates Z: 38 33.194 2.198 0.627 0.618 0.865 0.649 CB 1.578 38 residues pruned to eliminate duplicates Z: 60 41.543 2.255 0.699 0.476 0.915 0.627 CB 1.580 60 residues pruned to eliminate duplicates Z: 44 36.371 2.229 0.706 0.611 0.907 0.651 CB 1.448 44 residues pruned to eliminate duplicates Z: 41 37.500 2.243 0.610 0.622 0.950 0.675 CB 1.540 41 residues pruned to eliminate duplicates Z: 64 48.024 2.299 0.732 0.578 0.937 0.651 CB 1.506 64 residues pruned to eliminate duplicates Z: 63 46.601 2.319 0.599 0.536 0.935 0.597 CB 1.648 63 residues pruned to eliminate duplicates Z: 61 47.479 2.327 0.679 0.529 0.950 0.617 CB 1.605 61 residues pruned to eliminate duplicates Z: 64 45.385 2.332 0.603 0.512 0.952 0.571 CB 1.586 64 residues pruned to eliminate duplicates Z: 39 37.829 2.293 0.658 0.620 0.974 0.711 CB 1.480 39 residues pruned to eliminate duplicates Z: 42 44.765 2.340 0.729 0.641 0.951 0.732 CB 1.592 42 residues pruned to eliminate duplicates Z: 39 36.050 2.305 0.697 0.618 0.895 0.632 CB 1.496 39 residues pruned to eliminate duplicates Z: 41 40.707 2.325 0.733 0.611 0.950 0.675 CB 1.514 41 residues pruned to eliminate duplicates Z: 39 31.050 2.134 0.597 0.539 0.921 0.553 CB 1.544 39 residues pruned to eliminate duplicates Z: 37 34.558 2.236 0.670 0.587 0.917 0.611 CB 1.548 37 residues pruned to eliminate duplicates Z: 109 63.467 2.296 0.805 0.576 0.889 0.528 CB 1.542 109 residues pruned to eliminate duplicates Z: 39 40.501 2.297 0.753 0.632 0.947 0.711 CB 1.521 39 residues pruned to eliminate duplicates Z: 41 43.054 2.308 0.675 0.634 0.975 0.725 CB 1.593 41 residues pruned to eliminate duplicates Z: 41 32.422 2.188 0.558 0.598 0.950 0.650 CB 1.441 41 residues pruned to eliminate duplicates Z: 54 50.916 2.352 0.718 0.579 0.943 0.698 CB 1.701 54 residues pruned to eliminate duplicates Z: 45 39.371 2.309 0.591 0.582 0.955 0.659 CB 1.565 45 residues pruned to eliminate duplicates Z: 41 38.481 2.274 0.668 0.594 0.950 0.775 CB 1.543 41 residues pruned to eliminate duplicates Z: 37 30.225 2.225 0.568 0.568 0.889 0.611 CB 1.522 37 residues pruned to eliminate duplicates Z: 38 28.862 2.182 0.630 0.573 0.865 0.541 CB 1.438 38 residues pruned to eliminate duplicates Z: 45 39.907 2.162 0.711 0.602 0.932 0.636 CB 1.584 45 residues pruned to eliminate duplicates Z: 40 38.472 2.330 0.540 0.642 0.949 0.641 CB 1.585 40 residues pruned to eliminate duplicates Z: 62 49.803 2.285 0.772 0.570 0.934 0.672 CB 1.574 62 residues pruned to eliminate duplicates Z: 65 49.180 2.340 0.612 0.555 0.922 0.625 CB 1.675 65 residues pruned to eliminate duplicates Z: 63 45.569 2.323 0.559 0.556 0.952 0.613 CB 1.589 63 residues pruned to eliminate duplicates Z: 93 48.953 2.241 0.568 0.527 0.924 0.587 CB 1.530 93 residues pruned to eliminate duplicates Z: 63 51.265 2.360 0.625 0.560 0.968 0.694 CB 1.654 63 residues pruned to eliminate duplicates Z: 26 36.672 2.430 0.770 0.504 0.960 0.560 CA 1.769 26 residues pruned to eliminate duplicates Z: 65 49.463 2.314 0.642 0.554 0.938 0.672 CB 1.647 65 residues pruned to eliminate duplicates Z: 106 53.373 2.243 0.631 0.508 0.933 0.581 CB 1.513 106 residues pruned to eliminate duplicates Z: 13 21.268 2.373 0.895 0.443 0.833 0.750 CA 1.737 13 residues pruned to eliminate duplicates Z: 27 29.649 2.301 0.734 0.415 0.962 0.462 CB 1.656 27 residues pruned to eliminate duplicates Z: 30 30.056 2.308 0.618 0.428 0.966 0.586 CB 1.669 30 residues pruned to eliminate duplicates Z: 26 36.934 2.394 0.807 0.492 1.000 0.600 CA 1.721 26 residues pruned to eliminate duplicates Z: 26 31.755 2.382 0.709 0.492 0.920 0.640 CB 1.709 26 residues pruned to eliminate duplicates Z: 25 23.846 2.336 0.623 0.392 0.833 0.542 CB 1.727 25 residues pruned to eliminate duplicates Z: 28 27.951 2.271 0.731 0.397 0.926 0.593 CB 1.647 28 residues pruned to eliminate duplicates Z: 27 26.761 2.282 0.763 0.418 0.923 0.538 CB 1.539 27 residues pruned to eliminate duplicates Z: 26 32.531 2.380 0.712 0.487 0.960 0.680 CB 1.685 26 residues pruned to eliminate duplicates Z: 27 29.737 2.301 0.766 0.451 0.923 0.538 CB 1.635 27 residues pruned to eliminate duplicates Z: 29 28.169 2.271 0.698 0.357 0.964 0.500 CB 1.670 29 residues pruned to eliminate duplicates Z: 27 38.348 2.378 0.936 0.545 0.962 0.577 CB 1.626 27 residues pruned to eliminate duplicates Z: 27 42.490 2.406 0.858 0.531 1.000 0.654 CB 1.808 27 residues pruned to eliminate duplicates Z: 59 42.073 2.195 0.722 0.533 0.931 0.552 CB 1.519 59 residues pruned to eliminate duplicates Z: 116 55.933 2.232 0.650 0.517 0.904 0.617 CB 1.540 116 residues pruned to eliminate duplicates Z: 26 37.737 2.436 0.761 0.507 1.000 0.600 CB 1.747 26 residues pruned to eliminate duplicates Z: 27 40.836 2.382 0.953 0.528 1.000 0.654 CB 1.675 27 residues pruned to eliminate duplicates Z: 9 24.151 2.324 0.742 0.784 1.000 0.875 CA 1.643 Z: 7 4.604 1.832 0.284 0.554 0.833 0.333 CB 0.910 7 residues pruned to eliminate duplicates Z: 23 17.421 1.967 0.505 0.556 0.955 0.455 CB 1.245 26 residues pruned to eliminate duplicates Z: 6 5.211 1.841 0.308 0.638 0.800 0.600 CB 1.063 6 residues pruned to eliminate duplicates Z: 47 25.317 2.104 0.525 0.473 0.848 0.435 CB 1.411 47 residues pruned to eliminate duplicates Z: 54 23.768 2.011 0.506 0.478 0.849 0.415 CB 1.298 54 residues pruned to eliminate duplicates Z: 50 25.168 2.074 0.422 0.466 0.898 0.347 CB 1.405 50 residues pruned to eliminate duplicates Z: 49 29.931 2.086 0.617 0.495 0.896 0.500 CB 1.437 49 residues pruned to eliminate duplicates Z: 48 31.933 2.090 0.653 0.542 0.936 0.532 CB 1.382 48 residues pruned to eliminate duplicates Z: 39 25.598 2.074 0.538 0.512 0.947 0.579 CB 1.358 39 residues pruned to eliminate duplicates Z: 24 17.193 1.911 0.446 0.618 0.870 0.565 CB 1.335 24 residues pruned to eliminate duplicates Z: 38 22.791 2.095 0.512 0.464 0.865 0.514 CB 1.419 38 residues pruned to eliminate duplicates Z: 46 28.115 2.089 0.567 0.472 0.911 0.422 CB 1.446 46 residues pruned to eliminate duplicates Z: 39 26.945 2.071 0.605 0.519 0.947 0.605 CB 1.363 39 residues pruned to eliminate duplicates Z: 23 21.009 1.984 0.622 0.609 0.955 0.500 CB 1.315 23 residues pruned to eliminate duplicates Z: 23 20.693 2.001 0.670 0.614 0.955 0.591 CB 1.241 23 residues pruned to eliminate duplicates Z: 41 26.867 2.011 0.635 0.489 0.950 0.600 CB 1.376 41 residues pruned to eliminate duplicates Z: 47 29.542 2.060 0.544 0.524 0.957 0.543 CB 1.398 47 residues pruned to eliminate duplicates Z: 48 32.245 2.131 0.625 0.507 0.936 0.553 CB 1.441 48 residues pruned to eliminate duplicates Z: 40 26.408 2.100 0.552 0.479 0.897 0.513 CB 1.477 40 residues pruned to eliminate duplicates Z: 37 25.369 2.071 0.604 0.513 0.889 0.556 CB 1.413 37 residues pruned to eliminate duplicates Z: 52 29.058 2.087 0.577 0.496 0.902 0.490 CB 1.376 52 residues pruned to eliminate duplicates Z: 48 30.167 2.085 0.605 0.484 0.936 0.489 CB 1.428 48 residues pruned to eliminate duplicates Z: 46 31.053 2.105 0.656 0.503 0.911 0.467 CB 1.453 46 residues pruned to eliminate duplicates Z: 49 30.912 2.110 0.561 0.498 0.917 0.521 CB 1.481 49 residues pruned to eliminate duplicates Z: 48 30.386 2.098 0.582 0.517 0.957 0.532 CB 1.371 48 residues pruned to eliminate duplicates Z: 83 50.444 2.208 0.695 0.560 0.927 0.561 CB 1.515 83 residues pruned to eliminate duplicates Z: 39 25.236 2.105 0.512 0.439 0.921 0.526 CB 1.487 39 residues pruned to eliminate duplicates Z: 46 29.056 2.074 0.580 0.505 0.889 0.489 CB 1.480 46 residues pruned to eliminate duplicates Z: 46 27.453 2.091 0.593 0.502 0.889 0.600 CB 1.379 46 residues pruned to eliminate duplicates Z: 75 40.418 2.180 0.551 0.534 0.946 0.608 CB 1.421 75 residues pruned to eliminate duplicates Z: 50 27.372 2.092 0.566 0.464 0.918 0.510 CB 1.348 50 residues pruned to eliminate duplicates Z: 51 31.808 2.107 0.595 0.473 0.980 0.440 CB 1.404 51 residues pruned to eliminate duplicates Z: 52 29.492 2.118 0.571 0.459 0.941 0.471 CB 1.374 52 residues pruned to eliminate duplicates Z: 46 31.632 2.064 0.637 0.514 0.956 0.644 CB 1.441 46 residues pruned to eliminate duplicates Z: 49 31.662 2.097 0.650 0.499 0.917 0.479 CB 1.443 49 residues pruned to eliminate duplicates Z: 51 30.151 2.108 0.588 0.465 0.940 0.420 CB 1.404 51 residues pruned to eliminate duplicates Z: 82 43.083 2.156 0.678 0.523 0.889 0.568 CB 1.455 82 residues pruned to eliminate duplicates Z: 73 44.437 2.220 0.633 0.556 0.903 0.569 CB 1.515 73 residues pruned to eliminate duplicates Z: 52 27.912 2.092 0.606 0.467 0.882 0.431 CB 1.364 52 residues pruned to eliminate duplicates Z: 49 28.852 2.097 0.540 0.515 0.938 0.479 CB 1.356 49 residues pruned to eliminate duplicates Z: 53 30.937 2.095 0.560 0.475 0.942 0.462 CB 1.429 53 residues pruned to eliminate duplicates Z: 101 50.980 2.201 0.651 0.553 0.910 0.600 CB 1.465 101 residues pruned to eliminate duplicates Z: 52 32.373 2.098 0.683 0.497 0.902 0.510 CB 1.428 52 residues pruned to eliminate duplicates Z: 43 21.508 2.060 0.564 0.445 0.833 0.548 CB 1.308 43 residues pruned to eliminate duplicates Z: 52 29.011 2.082 0.581 0.486 0.902 0.510 CB 1.387 52 residues pruned to eliminate duplicates Z: 22 13.263 2.072 0.575 0.436 0.762 0.476 CB 1.244 22 residues pruned to eliminate duplicates Z: 51 28.164 2.116 0.539 0.497 0.880 0.480 CB 1.394 51 residues pruned to eliminate duplicates Z: 36 39.941 2.335 0.671 0.685 0.914 0.743 CB 1.597 36 residues pruned to eliminate duplicates Z: 38 33.565 2.292 0.570 0.641 0.865 0.676 CB 1.554 38 residues pruned to eliminate duplicates Z: 38 42.211 2.308 0.830 0.632 0.919 0.676 CB 1.580 38 residues pruned to eliminate duplicates Z: 39 34.693 2.270 0.618 0.625 0.842 0.658 CB 1.618 39 residues pruned to eliminate duplicates Z: 75 49.354 2.265 0.662 0.546 0.905 0.757 CB 1.609 167 residues pruned to eliminate duplicates Z: 85 51.295 2.263 0.593 0.594 0.893 0.667 CB 1.590 85 residues pruned to eliminate duplicates Z: 76 52.526 2.229 0.724 0.602 0.933 0.573 CB 1.534 Z: 12 15.948 2.144 0.923 0.545 0.818 0.364 CB 1.363 12 residues pruned to eliminate duplicates Z: 54 38.435 2.245 0.565 0.606 0.887 0.717 CB 1.533 136 residues pruned to eliminate duplicates Z: 48 38.960 2.273 0.765 0.557 0.851 0.638 CB 1.575 48 residues pruned to eliminate duplicates Z: 49 30.210 2.227 0.570 0.519 0.854 0.583 CB 1.433 49 residues pruned to eliminate duplicates Z: 53 39.409 2.244 0.780 0.543 0.865 0.615 CB 1.516 53 residues pruned to eliminate duplicates Z: 108 53.796 2.178 0.721 0.553 0.897 0.617 CB 1.468 108 residues pruned to eliminate duplicates Z: 24 39.746 2.365 0.471 0.930 1.000 0.913 CB 1.666 Z: 17 35.681 2.386 0.752 0.900 0.938 0.875 CB 1.626 17 residues pruned to eliminate duplicates Z: 55 40.998 2.261 0.679 0.561 0.907 0.722 CB 1.526 79 residues pruned to eliminate duplicates Z: 46 40.940 2.284 0.740 0.659 0.911 0.778 CB 1.454 46 residues pruned to eliminate duplicates Z: 59 43.606 2.252 0.852 0.516 0.897 0.603 CB 1.507 59 residues pruned to eliminate duplicates Z: 98 57.650 2.274 0.695 0.598 0.907 0.577 CB 1.525 98 residues pruned to eliminate duplicates Z: 57 41.030 2.275 0.793 0.575 0.839 0.661 CB 1.490 57 residues pruned to eliminate duplicates Z: 48 41.502 2.226 0.860 0.573 0.872 0.617 CB 1.561 Z: 25 55.714 2.352 0.979 0.938 1.000 0.500 CB 1.699 37 residues pruned to eliminate duplicates Z: 25 53.239 2.361 1.089 0.949 0.958 0.583 CB 1.587 25 residues pruned to eliminate duplicates Z: 26 47.379 2.253 1.114 0.911 0.960 0.560 CB 1.469 26 residues pruned to eliminate duplicates Z: 93 52.716 2.211 0.757 0.564 0.913 0.511 CB 1.456 129 residues pruned to eliminate duplicates Z: 79 52.079 2.167 0.857 0.585 0.910 0.436 CB 1.485 Z: 23 60.697 2.434 1.285 0.959 0.955 0.545 CB 1.671 24 residues pruned to eliminate duplicates Z: 25 57.408 2.361 1.189 0.926 0.958 0.417 CB 1.659 24 residues pruned to eliminate duplicates Z: 25 61.386 2.378 1.197 0.935 1.000 0.458 CB 1.671 25 residues pruned to eliminate duplicates Z: 25 55.526 2.366 1.089 0.940 1.000 0.417 CB 1.593 25 residues pruned to eliminate duplicates Z: 48 37.475 2.240 0.861 0.570 0.830 0.511 CB 1.477 40 residues pruned to eliminate duplicates Z: 25 56.200 2.326 1.102 0.904 1.000 0.417 CB 1.670 25 residues pruned to eliminate duplicates Z: 55 43.529 2.242 0.869 0.593 0.889 0.463 CB 1.455 142 residues pruned to eliminate duplicates Z: 47 47.562 2.285 1.002 0.583 0.913 0.522 CB 1.551 Z: 6 5.292 1.720 0.295 0.505 0.800 0.200 CA 1.321 6 residues pruned to eliminate duplicates Z: 56 40.181 2.200 0.810 0.568 0.891 0.382 CB 1.431 103 residues pruned to eliminate duplicates Z: 65 44.044 2.190 0.891 0.572 0.875 0.500 CB 1.418 65 residues pruned to eliminate duplicates Z: 52 38.786 2.305 0.551 0.592 0.882 0.627 CB 1.577 52 residues pruned to eliminate duplicates Z: 98 60.960 2.283 0.776 0.588 0.887 0.557 CB 1.582 98 residues pruned to eliminate duplicates Z: 11 14.262 2.242 0.197 0.633 1.000 0.900 CA 1.484 11 residues pruned to eliminate duplicates Z: 51 50.655 2.360 0.703 0.622 0.960 0.680 CB 1.654 51 residues pruned to eliminate duplicates Z: 51 34.374 2.083 0.662 0.642 0.860 0.640 CB 1.429 51 residues pruned to eliminate duplicates Z: 17 24.101 2.116 0.822 0.527 1.000 0.625 CB 1.522 17 residues pruned to eliminate duplicates Z: 17 14.596 2.126 0.343 0.468 0.938 0.750 CB 1.409 17 residues pruned to eliminate duplicates Z: 44 40.672 2.259 0.742 0.629 0.907 0.628 CB 1.540 44 residues pruned to eliminate duplicates Z: 36 30.552 2.231 0.516 0.654 0.971 0.686 CB 1.361 36 residues pruned to eliminate duplicates Z: 79 58.871 2.275 0.899 0.613 0.897 0.603 CB 1.544 79 residues pruned to eliminate duplicates Z: 50 53.681 2.310 1.117 0.628 0.918 0.510 CB 1.515 50 residues pruned to eliminate duplicates Z: 54 49.916 2.279 0.948 0.597 0.943 0.528 CB 1.492 54 residues pruned to eliminate duplicates Z: 35 36.326 2.248 0.746 0.637 0.971 0.647 CB 1.438 35 residues pruned to eliminate duplicates Z: 35 38.571 2.306 0.686 0.647 0.971 0.647 CB 1.528 35 residues pruned to eliminate duplicates Z: 35 40.271 2.299 0.728 0.691 0.971 0.765 CB 1.503 35 residues pruned to eliminate duplicates Z: 37 33.291 2.183 0.779 0.547 0.889 0.500 CB 1.534 37 residues pruned to eliminate duplicates Z: 45 38.317 2.268 0.683 0.597 0.909 0.591 CB 1.518 45 residues pruned to eliminate duplicates Z: 39 37.948 2.199 0.697 0.612 1.000 0.632 CB 1.484 39 residues pruned to eliminate duplicates Z: 39 33.392 2.224 0.595 0.666 0.921 0.658 CB 1.421 39 residues pruned to eliminate duplicates Z: 45 39.659 2.224 0.689 0.625 0.955 0.636 CB 1.483 45 residues pruned to eliminate duplicates Z: 45 34.198 2.238 0.558 0.583 0.886 0.568 CB 1.541 45 residues pruned to eliminate duplicates Z: 45 33.570 2.204 0.588 0.572 0.909 0.545 CB 1.484 45 residues pruned to eliminate duplicates Z: 36 30.362 2.248 0.517 0.617 0.943 0.657 CB 1.429 36 residues pruned to eliminate duplicates Z: 37 39.085 2.252 0.738 0.646 0.944 0.722 CB 1.538 37 residues pruned to eliminate duplicates Z: 64 48.395 2.317 0.663 0.530 0.952 0.683 CB 1.614 64 residues pruned to eliminate duplicates Z: 36 31.114 2.204 0.607 0.633 0.914 0.657 CB 1.433 36 residues pruned to eliminate duplicates Z: 44 37.604 2.244 0.579 0.626 0.953 0.628 CB 1.507 44 residues pruned to eliminate duplicates Z: 44 35.109 2.247 0.587 0.590 0.953 0.605 CB 1.445 44 residues pruned to eliminate duplicates Z: 42 34.098 2.243 0.624 0.596 0.951 0.610 CB 1.402 42 residues pruned to eliminate duplicates Z: 43 38.628 2.312 0.616 0.599 0.952 0.643 CB 1.524 43 residues pruned to eliminate duplicates Z: 62 46.710 2.293 0.695 0.560 0.934 0.557 CB 1.553 62 residues pruned to eliminate duplicates Z: 53 42.429 2.364 0.595 0.578 0.885 0.577 CB 1.636 53 residues pruned to eliminate duplicates Z: 101 68.681 2.318 0.845 0.621 0.930 0.540 CB 1.540 101 residues pruned to eliminate duplicates Z: 95 61.964 2.315 0.824 0.621 0.883 0.500 CB 1.530 95 residues pruned to eliminate duplicates Z: 35 32.520 2.252 0.768 0.424 0.912 0.559 CB 1.662 35 residues pruned to eliminate duplicates Z: 22 27.463 2.417 0.671 0.466 0.905 0.667 CB 1.698 22 residues pruned to eliminate duplicates Z: 130 65.399 2.229 0.765 0.581 0.922 0.550 CB 1.468 130 residues pruned to eliminate duplicates Z: 56 50.182 2.298 0.795 0.542 0.909 0.636 CB 1.731 56 residues pruned to eliminate duplicates Z: 85 58.488 2.283 0.726 0.590 0.929 0.619 CB 1.600 85 residues pruned to eliminate duplicates Z: 56 52.388 2.312 0.827 0.567 0.964 0.673 CB 1.626 56 residues pruned to eliminate duplicates Z: 73 46.801 2.285 0.650 0.525 0.931 0.486 CB 1.534 73 residues pruned to eliminate duplicates Z: 59 45.265 2.280 0.621 0.501 1.000 0.586 CB 1.606 59 residues pruned to eliminate duplicates Z: 64 49.326 2.331 0.693 0.552 0.937 0.619 CB 1.598 64 residues pruned to eliminate duplicates Z: 85 49.802 2.274 0.624 0.575 0.905 0.536 CB 1.513 85 residues pruned to eliminate duplicates Z: 26 25.415 2.174 0.714 0.459 0.920 0.560 CB 1.546 26 residues pruned to eliminate duplicates Z: 13 19.724 2.441 0.678 0.485 0.833 0.667 CA 1.694 13 residues pruned to eliminate duplicates Z: 24 42.086 2.418 0.854 0.568 1.000 0.783 CA 1.833 24 residues pruned to eliminate duplicates Z: 17 11.842 2.072 0.484 0.371 0.750 0.750 CA 1.473 17 residues pruned to eliminate duplicates Z: 51 43.195 2.158 0.862 0.545 0.980 0.680 CB 1.484 51 residues pruned to eliminate duplicates Z: 61 48.958 2.354 0.721 0.556 0.933 0.633 CB 1.584 61 residues pruned to eliminate duplicates Z: 24 29.075 2.331 0.658 0.486 0.957 0.652 CB 1.664 24 residues pruned to eliminate duplicates Z: 26 31.746 2.362 0.796 0.468 0.960 0.680 CB 1.610 26 residues pruned to eliminate duplicates Z: 63 45.875 2.297 0.730 0.542 0.919 0.516 CB 1.531 63 residues pruned to eliminate duplicates Z: 64 51.768 2.343 0.755 0.570 0.937 0.651 CB 1.583 64 residues pruned to eliminate duplicates Z: 25 35.642 2.368 0.906 0.511 0.917 0.583 CB 1.740 25 residues pruned to eliminate duplicates Z: 50 31.347 2.101 0.677 0.462 0.898 0.633 CB 1.471 50 residues pruned to eliminate duplicates Z: 29 28.274 2.223 0.776 0.482 0.821 0.607 CB 1.679 29 residues pruned to eliminate duplicates Z: 25 33.919 2.317 0.781 0.539 1.000 0.708 CB 1.615 25 residues pruned to eliminate duplicates Z: 31 27.457 2.223 0.794 0.413 0.833 0.600 CB 1.652 31 residues pruned to eliminate duplicates Z: 39 34.279 2.184 0.604 0.644 0.921 0.684 CB 1.507 39 residues pruned to eliminate duplicates Z: 72 35.247 2.117 0.488 0.512 0.901 0.620 CB 1.456 46 residues pruned to eliminate duplicates Z: 9 7.315 1.773 0.730 0.337 0.750 0.250 CB 1.343 9 residues pruned to eliminate duplicates Z: 106 52.490 2.177 0.565 0.576 0.914 0.629 CB 1.529 87 residues pruned to eliminate duplicates Z: 19 23.014 2.054 0.603 0.754 0.944 0.778 CB 1.391 19 residues pruned to eliminate duplicates Z: 59 33.742 2.110 0.586 0.586 0.879 0.638 CB 1.387 59 residues pruned to eliminate duplicates Z: 62 42.750 2.147 0.769 0.616 0.902 0.574 CB 1.432 62 residues pruned to eliminate duplicates Z: 34 41.641 2.186 0.791 0.730 0.970 0.636 CB 1.553 34 residues pruned to eliminate duplicates Z: 43 34.961 2.099 0.700 0.629 0.881 0.571 CB 1.521 43 residues pruned to eliminate duplicates Z: 71 40.004 2.084 0.748 0.550 0.886 0.586 CB 1.412 71 residues pruned to eliminate duplicates Z: 46 36.959 2.154 0.726 0.602 0.889 0.644 CB 1.513 46 residues pruned to eliminate duplicates Z: 89 47.459 2.131 0.661 0.604 0.909 0.614 CB 1.423 89 residues pruned to eliminate duplicates Z: 47 34.944 2.127 0.685 0.591 0.913 0.500 CB 1.444 47 residues pruned to eliminate duplicates Z: 88 47.183 2.123 0.587 0.616 0.931 0.598 CB 1.445 88 residues pruned to eliminate duplicates Z: 102 54.435 2.166 0.657 0.581 0.921 0.624 CB 1.516 100 residues pruned to eliminate duplicates Z: 24 42.458 2.212 0.953 0.935 0.957 0.565 CB 1.493 24 residues pruned to eliminate duplicates Z: 63 40.155 2.117 0.784 0.570 0.887 0.484 CB 1.423 90 residues pruned to eliminate duplicates Z: 72 38.098 2.104 0.690 0.562 0.873 0.634 CB 1.371 72 residues pruned to eliminate duplicates Z: 49 34.875 2.113 0.660 0.620 0.917 0.542 CB 1.399 49 residues pruned to eliminate duplicates Z: 34 40.364 2.158 0.982 0.752 0.909 0.455 CB 1.444 34 residues pruned to eliminate duplicates Z: 70 36.939 2.083 0.749 0.524 0.855 0.464 CB 1.394 70 residues pruned to eliminate duplicates Z: 16 24.704 2.095 0.545 0.809 1.000 0.467 CB 1.506 16 residues pruned to eliminate duplicates Z: 73 46.228 2.140 0.610 0.664 0.917 0.569 CB 1.481 73 residues pruned to eliminate duplicates Z: 38 30.801 2.087 0.852 0.526 0.892 0.595 CB 1.431 38 residues pruned to eliminate duplicates Z: 41 43.654 2.201 0.937 0.667 0.950 0.500 CB 1.460 41 residues pruned to eliminate duplicates Z: 46 34.480 2.122 0.854 0.604 0.844 0.400 CB 1.402 46 residues pruned to eliminate duplicates Z: 132 53.760 2.104 0.675 0.510 0.924 0.542 CB 1.428 132 residues pruned to eliminate duplicates Z: 71 44.119 2.117 0.825 0.534 0.929 0.514 CB 1.422 71 residues pruned to eliminate duplicates Z: 50 39.627 2.144 0.871 0.560 0.918 0.531 CB 1.450 50 residues pruned to eliminate duplicates Z: 78 38.962 2.084 0.781 0.505 0.857 0.390 CB 1.388 78 residues pruned to eliminate duplicates Z: 46 39.456 2.152 0.863 0.600 0.911 0.467 CB 1.464 46 residues pruned to eliminate duplicates Z: 52 34.806 2.035 0.898 0.561 0.922 0.392 CB 1.290 52 residues pruned to eliminate duplicates Z: 18 10.597 1.865 0.523 0.381 0.824 0.294 CB 1.247 18 residues pruned to eliminate duplicates Z: 108 63.152 2.174 0.801 0.582 0.963 0.542 CB 1.498 110 residues pruned to eliminate duplicates Z: 6 4.325 1.733 0.318 0.401 0.800 0.600 CA 1.175 6 residues pruned to eliminate duplicates Z: 47 36.108 2.093 0.631 0.640 0.957 0.609 CB 1.430 47 residues pruned to eliminate duplicates Z: 62 44.006 2.230 0.618 0.570 0.934 0.623 CB 1.562 62 residues pruned to eliminate duplicates Z: 46 40.043 2.237 0.603 0.621 0.933 0.711 CB 1.591 46 residues pruned to eliminate duplicates Z: 47 35.480 2.209 0.566 0.599 0.891 0.652 CB 1.543 47 residues pruned to eliminate duplicates Z: 41 35.264 2.153 0.565 0.643 0.975 0.725 CB 1.485 41 residues pruned to eliminate duplicates Z: 61 44.680 2.225 0.576 0.569 0.950 0.617 CB 1.619 61 residues pruned to eliminate duplicates Z: 20 21.182 2.168 0.664 0.495 0.947 0.579 CB 1.428 20 residues pruned to eliminate duplicates Z: 47 31.431 2.096 0.611 0.576 0.891 0.674 CB 1.431 47 residues pruned to eliminate duplicates Z: 38 28.034 2.000 0.722 0.611 0.919 0.676 CB 1.311 38 residues pruned to eliminate duplicates Z: 31 33.290 2.093 0.722 0.692 0.967 0.733 CB 1.463 31 residues pruned to eliminate duplicates Z: 62 45.907 2.205 0.615 0.575 0.984 0.623 CB 1.561 62 residues pruned to eliminate duplicates Z: 62 40.148 2.160 0.600 0.546 0.934 0.525 CB 1.522 20 residues pruned to eliminate duplicates Z: 19 25.062 2.077 0.596 0.843 0.944 0.889 CB 1.405 19 residues pruned to eliminate duplicates Z: 54 40.284 2.211 0.557 0.580 0.962 0.679 CB 1.547 54 residues pruned to eliminate duplicates Z: 59 45.320 2.235 0.667 0.554 0.983 0.672 CB 1.542 59 residues pruned to eliminate duplicates Z: 58 45.716 2.203 0.655 0.588 0.982 0.667 CB 1.554 58 residues pruned to eliminate duplicates Z: 61 41.420 2.207 0.569 0.544 0.950 0.650 CB 1.557 61 residues pruned to eliminate duplicates Z: 63 40.287 2.155 0.589 0.533 0.952 0.613 CB 1.521 63 residues pruned to eliminate duplicates Z: 44 41.633 2.263 0.722 0.572 0.953 0.674 CB 1.595 44 residues pruned to eliminate duplicates Z: 33 36.381 2.234 0.695 0.623 0.938 0.719 CA 1.613 33 residues pruned to eliminate duplicates Z: 60 41.504 2.200 0.548 0.568 0.966 0.627 CB 1.538 60 residues pruned to eliminate duplicates Z: 33 38.277 2.274 0.657 0.643 0.938 0.719 CB 1.676 33 residues pruned to eliminate duplicates Z: 57 45.213 2.228 0.708 0.573 0.946 0.607 CB 1.563 57 residues pruned to eliminate duplicates Z: 42 42.824 2.279 0.694 0.593 0.951 0.659 CB 1.665 42 residues pruned to eliminate duplicates Z: 42 35.067 2.140 0.597 0.634 0.951 0.610 CB 1.485 42 residues pruned to eliminate duplicates Z: 37 30.928 2.070 0.576 0.621 0.944 0.556 CB 1.493 37 residues pruned to eliminate duplicates Z: 64 41.902 2.189 0.564 0.583 0.968 0.635 CB 1.470 64 residues pruned to eliminate duplicates Z: 25 24.350 2.075 0.588 0.649 0.958 0.667 CB 1.370 25 residues pruned to eliminate duplicates Z: 58 41.229 2.167 0.621 0.547 0.947 0.632 CB 1.567 58 residues pruned to eliminate duplicates Z: 10 12.200 2.143 0.560 0.493 0.889 0.444 CB 1.379 10 residues pruned to eliminate duplicates Z: 6 7.015 1.886 0.887 0.357 0.800 0.600 CA 1.285 6 residues pruned to eliminate duplicates Z: 26 35.818 2.295 0.855 0.482 1.000 0.560 CB 1.713 26 residues pruned to eliminate duplicates Z: 50 37.155 2.138 0.704 0.515 0.959 0.612 CB 1.496 50 residues pruned to eliminate duplicates Z: 46 30.643 2.092 0.657 0.480 0.933 0.556 CB 1.441 46 residues pruned to eliminate duplicates Z: 26 29.140 2.267 0.626 0.484 0.960 0.600 CB 1.673 26 residues pruned to eliminate duplicates Z: 50 35.996 2.121 0.768 0.521 0.918 0.551 CB 1.462 50 residues pruned to eliminate duplicates Z: 28 28.611 2.300 0.757 0.424 0.926 0.630 CB 1.593 28 residues pruned to eliminate duplicates Z: 25 36.463 2.318 0.827 0.521 1.000 0.667 CB 1.721 25 residues pruned to eliminate duplicates Z: 52 34.230 2.083 0.629 0.523 0.980 0.510 CB 1.408 52 residues pruned to eliminate duplicates Z: 25 32.853 2.332 0.705 0.518 0.958 0.625 CB 1.729 25 residues pruned to eliminate duplicates Z: 48 37.390 2.145 0.744 0.533 0.979 0.617 CB 1.442 48 residues pruned to eliminate duplicates Z: 51 32.375 2.103 0.575 0.495 0.980 0.560 CB 1.417 51 residues pruned to eliminate duplicates Z: 23 32.353 2.374 0.926 0.454 0.909 0.682 CA 1.740 23 residues pruned to eliminate duplicates Z: 25 27.734 2.243 0.827 0.445 0.875 0.500 CB 1.670 25 residues pruned to eliminate duplicates Z: 49 36.474 2.127 0.765 0.516 0.958 0.646 CB 1.440 49 residues pruned to eliminate duplicates Z: 76 37.251 2.058 0.727 0.432 0.920 0.493 CB 1.412 76 residues pruned to eliminate duplicates Z: 25 30.834 2.269 0.913 0.441 0.917 0.625 CB 1.682 25 residues pruned to eliminate duplicates Z: 111 50.824 2.113 0.612 0.526 0.955 0.573 CB 1.453 111 residues pruned to eliminate duplicates Z: 25 15.366 1.899 0.624 0.430 0.875 0.500 CB 1.249 25 residues pruned to eliminate duplicates Z: 53 43.165 2.177 0.777 0.551 0.923 0.635 CB 1.594 53 residues pruned to eliminate duplicates Z: 13 15.680 1.934 0.820 0.510 0.917 0.500 CB 1.390 Z: 7 6.041 1.665 0.615 0.388 0.833 0.667 CA 1.240 7 residues pruned to eliminate duplicates Z: 28 19.814 2.002 0.690 0.390 0.926 0.481 CB 1.368 13 residues pruned to eliminate duplicates Z: 6 5.418 1.630 0.700 0.451 0.800 0.400 CA 1.149 6 residues pruned to eliminate duplicates 338 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 138 D: 152 E: 7 F: 26 CC for partial structure against native data = 33.84 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.524, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.613, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.726, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.741, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.757, Connect. = 0.798 for dens.mod. cycle 5 = 0.300, Contrast = 0.763, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.770, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.805 for dens.mod. cycle 10 TimeTaking 238.7