null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:22:12 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: ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.ins Phases from ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.phi Native data from ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.hkl Listing output to ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.lst Phases output to ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.phs Poly-Ala trace output to ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.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: I 21 21 21 Allowed origin shift code: 15 62686 Reflections read from file ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.phi 62686 Reflections read from file ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.hkl 62686 Unique data, highest resolution = 1.660 Angstroms Anisotropic scaling: intensities multiplied by 0.000041h^2 +0.000113k^2 -0.000082l^2 +0.000000kl +0.000000hl +0.000000hk 181 Reflections with d > 1.860 and 0 in range 1.860 > d > 1.660 added Density sharpening factor set to 1.26 Fourier grid = 256 x 256 x 55 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.689 = 0.300, Contrast = 0.404, Connect. = 0.744 for dens.mod. cycle 1 = 0.300, Contrast = 0.524, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.701, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.755, Connect. = 0.817 for dens.mod. cycle 4 = 0.300, Contrast = 0.779, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.794, Connect. = 0.827 for dens.mod. cycle 6 = 0.300, Contrast = 0.801, Connect. = 0.829 for dens.mod. cycle 7 = 0.300, Contrast = 0.807, Connect. = 0.831 for dens.mod. cycle 8 = 0.300, Contrast = 0.810, Connect. = 0.832 for dens.mod. cycle 9 = 0.300, Contrast = 0.812, Connect. = 0.833 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2177 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 532 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 51.178 2.587 0.947 0.917 0.952 0.905 CB 1.643 B: 22 52.308 2.587 0.854 0.943 1.000 0.952 CB 1.649 22 residues pruned to eliminate duplicates C: 22 53.964 2.583 0.915 0.950 1.000 0.857 CB 1.641 22 residues pruned to eliminate duplicates D: 22 58.302 2.574 1.082 0.947 1.000 0.810 CB 1.641 22 residues pruned to eliminate duplicates E: 22 45.385 2.545 0.888 0.907 0.905 0.857 CB 1.619 22 residues pruned to eliminate duplicates F: 22 44.038 2.585 0.645 0.901 0.952 0.905 CB 1.693 22 residues pruned to eliminate duplicates G: 22 57.578 2.562 1.269 0.913 0.952 0.810 CB 1.605 22 residues pruned to eliminate duplicates H: 21 37.097 2.097 0.801 0.899 0.950 0.800 CB 1.653 I: 23 40.785 2.471 0.814 0.886 0.909 0.864 CB 1.540 23 residues pruned to eliminate duplicates J: 22 61.232 2.580 1.169 0.947 1.000 0.905 CB 1.651 22 residues pruned to eliminate duplicates K: 20 65.103 2.521 1.362 0.957 1.000 0.947 CB 1.721 L: 23 53.255 2.467 1.117 0.916 0.955 0.773 CB 1.608 23 residues pruned to eliminate duplicates M: 22 41.190 2.323 0.759 0.930 1.000 0.857 CB 1.538 N: 52 45.007 2.065 1.088 0.580 0.941 0.686 CB 1.439 O: 22 48.298 2.333 1.020 0.948 1.000 0.905 CB 1.544 22 residues pruned to eliminate duplicates P: 22 59.290 2.608 1.154 0.940 0.952 0.905 CB 1.679 22 residues pruned to eliminate duplicates Q: 20 51.593 2.506 0.880 0.951 1.000 1.000 CB 1.732 20 residues pruned to eliminate duplicates R: 21 52.770 2.476 1.096 0.925 1.000 0.900 CB 1.596 21 residues pruned to eliminate duplicates S: 22 64.696 2.577 1.229 0.948 1.000 0.905 CB 1.697 22 residues pruned to eliminate duplicates T: 22 58.143 2.585 1.028 0.952 1.000 0.905 CB 1.666 22 residues pruned to eliminate duplicates U: 61 60.544 2.340 1.268 0.529 0.900 0.733 CB 1.590 V: 22 49.297 2.308 1.119 0.956 1.000 0.952 CB 1.510 22 residues pruned to eliminate duplicates W: 21 50.187 2.471 0.927 0.946 1.000 0.900 CB 1.629 21 residues pruned to eliminate duplicates X: 21 51.967 2.384 1.042 0.954 1.000 0.950 CB 1.641 21 residues pruned to eliminate duplicates Y: 21 42.858 2.347 0.733 0.947 1.000 0.900 CB 1.628 21 residues pruned to eliminate duplicates Z: 22 46.545 2.315 1.005 0.946 1.000 0.952 CB 1.513 22 residues pruned to eliminate duplicates Z: 21 63.778 2.578 1.222 0.941 1.000 0.900 CB 1.728 21 residues pruned to eliminate duplicates Z: 21 30.958 2.203 1.084 0.537 0.900 0.800 CB 1.615 Z: 21 63.536 2.494 1.408 0.940 1.000 1.000 CB 1.643 20 residues pruned to eliminate duplicates Z: 22 47.456 2.325 1.014 0.932 1.000 0.810 CB 1.544 22 residues pruned to eliminate duplicates Z: 84 78.472 2.306 1.142 0.617 0.952 0.759 CB 1.640 63 residues pruned to eliminate duplicates Z: 22 46.126 2.329 0.956 0.945 1.000 0.857 CB 1.529 22 residues pruned to eliminate duplicates Z: 32 41.719 2.208 1.285 0.607 0.935 0.710 CB 1.434 19 residues pruned to eliminate duplicates Z: 65 47.617 2.105 1.090 0.566 0.906 0.672 CB 1.401 65 residues pruned to eliminate duplicates Z: 151 104.241 2.358 1.074 0.617 0.940 0.713 CB 1.657 125 residues pruned to eliminate duplicates Z: 23 55.481 2.504 1.371 0.894 0.909 0.818 CB 1.573 23 residues pruned to eliminate duplicates Z: 22 68.328 2.583 1.327 0.943 1.000 0.905 CB 1.719 22 residues pruned to eliminate duplicates Z: 20 69.908 2.514 1.499 0.949 1.000 0.789 CB 1.762 21 residues pruned to eliminate duplicates Z: 32 50.692 2.358 1.433 0.572 0.968 0.742 CB 1.530 32 residues pruned to eliminate duplicates Z: 74 57.092 2.202 1.142 0.533 0.904 0.644 CB 1.517 21 residues pruned to eliminate duplicates Z: 22 43.621 2.583 0.525 0.940 1.000 0.952 CB 1.678 22 residues pruned to eliminate duplicates Z: 49 47.686 2.164 0.872 0.637 0.917 0.750 CB 1.630 49 residues pruned to eliminate duplicates Z: 31 41.244 2.272 1.223 0.575 0.933 0.733 CB 1.486 31 residues pruned to eliminate duplicates Z: 30 28.333 2.085 0.975 0.498 0.862 0.517 CB 1.485 30 residues pruned to eliminate duplicates Z: 21 56.993 2.474 1.205 0.943 1.000 0.950 CB 1.618 21 residues pruned to eliminate duplicates Z: 21 30.023 2.086 0.456 0.920 0.950 0.900 CB 1.639 21 residues pruned to eliminate duplicates Z: 21 55.785 2.487 1.099 0.960 1.000 0.950 CB 1.637 21 residues pruned to eliminate duplicates Z: 120 84.423 2.268 1.193 0.569 0.941 0.639 CB 1.547 94 residues pruned to eliminate duplicates Z: 23 43.236 2.504 0.810 0.882 0.955 0.864 CB 1.541 23 residues pruned to eliminate duplicates Z: 47 55.368 2.182 0.987 0.698 0.957 0.848 CB 1.644 47 residues pruned to eliminate duplicates Z: 23 33.328 1.980 0.866 0.903 0.955 0.682 CB 1.436 23 residues pruned to eliminate duplicates Z: 22 61.467 2.585 1.170 0.942 1.000 0.905 CB 1.658 22 residues pruned to eliminate duplicates Z: 62 54.906 2.220 1.167 0.520 0.918 0.656 CB 1.560 62 residues pruned to eliminate duplicates Z: 59 59.533 2.365 1.120 0.517 0.948 0.621 CB 1.617 59 residues pruned to eliminate duplicates Z: 22 35.848 2.293 0.571 0.939 1.000 0.952 CB 1.509 22 residues pruned to eliminate duplicates Z: 28 31.148 2.116 0.832 0.661 0.852 0.704 CB 1.565 Z: 26 33.891 2.146 0.945 0.520 1.000 0.520 CB 1.591 26 residues pruned to eliminate duplicates Z: 30 46.726 2.245 1.311 0.634 0.966 0.793 CB 1.526 32 residues pruned to eliminate duplicates Z: 22 36.722 2.057 0.806 0.926 1.000 0.857 CB 1.513 22 residues pruned to eliminate duplicates Z: 20 65.120 2.537 1.298 0.954 1.000 0.947 CB 1.763 20 residues pruned to eliminate duplicates Z: 29 35.665 2.071 0.817 0.654 1.000 0.786 CB 1.553 29 residues pruned to eliminate duplicates Z: 65 46.038 2.065 1.029 0.568 0.938 0.672 CB 1.372 65 residues pruned to eliminate duplicates Z: 20 48.362 2.453 0.813 0.908 1.000 0.947 CB 1.772 20 residues pruned to eliminate duplicates Z: 27 31.503 2.122 0.981 0.495 0.923 0.462 CB 1.601 27 residues pruned to eliminate duplicates Z: 42 50.372 2.369 1.300 0.544 0.902 0.683 CB 1.533 42 residues pruned to eliminate duplicates Z: 41 41.642 2.181 1.118 0.557 0.925 0.675 CB 1.457 41 residues pruned to eliminate duplicates Z: 21 64.907 2.475 1.437 0.954 1.000 0.950 CB 1.654 21 residues pruned to eliminate duplicates Z: 21 50.823 2.476 0.976 0.938 1.000 1.000 CB 1.616 21 residues pruned to eliminate duplicates Z: 46 53.614 2.198 0.931 0.721 0.933 0.756 CB 1.652 46 residues pruned to eliminate duplicates Z: 23 37.563 1.998 0.919 0.938 1.000 0.818 CB 1.452 23 residues pruned to eliminate duplicates Z: 59 49.488 2.278 1.081 0.465 0.897 0.569 CB 1.585 59 residues pruned to eliminate duplicates Z: 11 20.564 2.080 1.189 0.588 0.800 0.700 CA 1.642 11 residues pruned to eliminate duplicates Z: 36 53.803 2.261 1.308 0.610 0.943 0.771 CB 1.665 35 residues pruned to eliminate duplicates Z: 22 52.435 2.312 1.283 0.940 1.000 0.952 CB 1.506 22 residues pruned to eliminate duplicates Z: 111 83.317 2.285 1.215 0.589 0.945 0.727 CB 1.524 111 residues pruned to eliminate duplicates Z: 17 41.718 2.288 1.274 0.665 1.000 0.750 CB 1.721 17 residues pruned to eliminate duplicates Z: 21 51.122 2.476 1.040 0.938 1.000 0.800 CB 1.573 21 residues pruned to eliminate duplicates Z: 152 109.349 2.371 1.114 0.630 0.947 0.715 CB 1.660 151 residues pruned to eliminate duplicates Z: 152 108.756 2.359 1.139 0.629 0.954 0.768 CB 1.629 152 residues pruned to eliminate duplicates Z: 44 63.202 2.432 1.412 0.559 0.930 0.767 CB 1.667 44 residues pruned to eliminate duplicates Z: 113 80.196 2.263 1.166 0.591 0.938 0.732 CB 1.512 113 residues pruned to eliminate duplicates Z: 23 39.282 2.008 0.988 0.926 1.000 0.864 CB 1.471 23 residues pruned to eliminate duplicates Z: 152 105.418 2.358 1.128 0.601 0.940 0.709 CB 1.651 152 residues pruned to eliminate duplicates Z: 111 72.501 2.202 1.184 0.567 0.927 0.655 CB 1.453 111 residues pruned to eliminate duplicates Z: 84 77.743 2.298 1.153 0.627 0.940 0.771 CB 1.628 84 residues pruned to eliminate duplicates Z: 22 50.591 2.304 1.230 0.937 1.000 0.905 CB 1.495 22 residues pruned to eliminate duplicates Z: 21 53.218 2.486 1.062 0.936 1.000 0.900 CB 1.617 21 residues pruned to eliminate duplicates Z: 101 53.110 2.160 0.852 0.485 0.910 0.630 CB 1.482 100 residues pruned to eliminate duplicates Z: 21 18.027 1.892 0.864 0.501 0.850 0.600 CB 1.343 21 residues pruned to eliminate duplicates Z: 24 35.011 2.208 0.959 0.584 0.957 0.652 CB 1.628 24 residues pruned to eliminate duplicates Z: 90 68.754 2.248 1.137 0.565 0.944 0.663 CB 1.509 90 residues pruned to eliminate duplicates Z: 23 30.847 1.923 0.636 0.906 1.000 0.909 CB 1.487 23 residues pruned to eliminate duplicates Z: 26 51.119 2.547 0.875 0.835 0.920 0.880 CB 1.743 26 residues pruned to eliminate duplicates Z: 17 20.176 2.070 1.039 0.590 0.812 0.562 CB 1.350 17 residues pruned to eliminate duplicates Z: 22 51.403 2.303 1.224 0.947 1.000 1.000 CB 1.514 22 residues pruned to eliminate duplicates Z: 19 60.308 2.541 1.031 0.932 1.000 0.944 CB 1.924 19 residues pruned to eliminate duplicates Z: 107 63.848 2.156 0.958 0.596 0.915 0.708 CB 1.465 85 residues pruned to eliminate duplicates Z: 21 50.517 2.442 1.013 0.947 1.000 0.950 CB 1.588 21 residues pruned to eliminate duplicates Z: 13 36.888 2.087 1.323 0.815 0.917 0.750 C 1.822 13 residues pruned to eliminate duplicates Z: 99 57.493 2.176 0.938 0.511 0.908 0.663 CB 1.500 99 residues pruned to eliminate duplicates Z: 81 56.278 2.169 0.943 0.579 0.925 0.688 CB 1.496 81 residues pruned to eliminate duplicates Z: 65 43.998 2.080 1.017 0.523 0.938 0.625 CB 1.366 65 residues pruned to eliminate duplicates Z: 35 38.696 2.328 1.170 0.461 0.882 0.559 CB 1.549 35 residues pruned to eliminate duplicates Z: 18 42.601 2.420 1.336 0.551 1.000 0.706 CB 1.739 18 residues pruned to eliminate duplicates Z: 22 53.732 2.299 1.332 0.945 1.000 0.857 CB 1.513 22 residues pruned to eliminate duplicates Z: 28 28.838 2.068 0.703 0.643 0.889 0.815 CB 1.552 28 residues pruned to eliminate duplicates Z: 26 23.996 1.965 0.923 0.584 0.920 0.640 CB 1.273 26 residues pruned to eliminate duplicates Z: 17 24.874 2.194 0.962 0.437 1.000 0.500 CB 1.542 17 residues pruned to eliminate duplicates Z: 16 27.789 2.026 0.704 0.896 1.000 0.867 CB 1.489 16 residues pruned to eliminate duplicates Z: 64 46.526 2.101 1.057 0.544 0.905 0.746 CB 1.436 64 residues pruned to eliminate duplicates Z: 21 51.394 2.364 1.094 0.941 1.000 0.900 CB 1.611 21 residues pruned to eliminate duplicates Z: 24 58.929 2.411 1.498 0.874 0.957 0.870 CB 1.552 24 residues pruned to eliminate duplicates Z: 20 66.198 2.500 1.388 0.947 1.000 0.789 CB 1.758 20 residues pruned to eliminate duplicates Z: 33 35.031 2.126 1.096 0.569 0.906 0.656 CB 1.435 33 residues pruned to eliminate duplicates Z: 8 7.841 1.949 0.141 0.725 0.857 0.571 CA 1.268 8 residues pruned to eliminate duplicates Z: 11 16.372 2.034 0.752 0.476 1.000 0.700 CB 1.488 11 residues pruned to eliminate duplicates Z: 84 73.695 2.292 1.113 0.616 0.928 0.699 CB 1.613 84 residues pruned to eliminate duplicates Z: 31 52.967 2.424 1.359 0.577 0.933 0.767 CB 1.683 31 residues pruned to eliminate duplicates Z: 73 60.444 2.210 1.053 0.591 0.958 0.625 CB 1.503 73 residues pruned to eliminate duplicates Z: 14 21.060 2.023 0.883 0.630 0.923 0.615 CB 1.469 14 residues pruned to eliminate duplicates Z: 16 23.053 2.037 0.650 0.882 0.933 0.800 CB 1.373 16 residues pruned to eliminate duplicates Z: 12 16.106 2.050 1.024 0.485 0.727 0.636 CB 1.634 12 residues pruned to eliminate duplicates Z: 100 88.862 2.419 1.198 0.600 0.929 0.697 CB 1.642 100 residues pruned to eliminate duplicates Z: 41 37.416 2.130 1.007 0.525 0.950 0.625 CB 1.421 41 residues pruned to eliminate duplicates Z: 111 83.464 2.275 1.211 0.562 0.955 0.700 CB 1.561 111 residues pruned to eliminate duplicates Z: 64 48.676 2.096 1.077 0.558 0.937 0.698 CB 1.422 64 residues pruned to eliminate duplicates Z: 65 42.919 2.055 0.972 0.535 0.906 0.672 CB 1.411 65 residues pruned to eliminate duplicates Z: 23 35.702 2.359 1.276 0.484 0.909 0.636 CB 1.585 23 residues pruned to eliminate duplicates Z: 64 43.843 2.094 0.943 0.525 0.937 0.730 CB 1.414 64 residues pruned to eliminate duplicates Z: 83 77.467 2.311 1.119 0.636 0.939 0.793 CB 1.637 83 residues pruned to eliminate duplicates Z: 47 48.442 2.186 0.821 0.671 0.957 0.739 CB 1.601 47 residues pruned to eliminate duplicates Z: 19 26.304 2.114 1.074 0.595 0.833 0.722 CB 1.549 19 residues pruned to eliminate duplicates Z: 97 77.529 2.293 1.131 0.574 0.938 0.677 CB 1.608 97 residues pruned to eliminate duplicates Z: 119 95.192 2.414 1.141 0.580 0.941 0.695 CB 1.669 119 residues pruned to eliminate duplicates Z: 152 106.413 2.350 1.145 0.613 0.947 0.689 CB 1.630 152 residues pruned to eliminate duplicates Z: 17 22.795 1.941 0.602 0.889 1.000 0.812 CB 1.319 17 residues pruned to eliminate duplicates Z: 15 26.856 2.078 0.820 0.876 0.929 0.857 CB 1.485 15 residues pruned to eliminate duplicates Z: 51 55.661 2.255 0.899 0.656 0.940 0.760 CB 1.691 51 residues pruned to eliminate duplicates Z: 22 48.291 2.299 1.171 0.943 1.000 0.810 CB 1.463 22 residues pruned to eliminate duplicates Z: 17 28.476 1.961 0.873 0.907 1.000 0.812 CB 1.378 17 residues pruned to eliminate duplicates Z: 11 10.369 1.909 0.685 0.362 0.800 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 103 78.944 2.311 1.107 0.575 0.922 0.667 CB 1.620 103 residues pruned to eliminate duplicates Z: 7 10.409 1.750 0.480 0.860 1.000 0.667 CA 1.206 7 residues pruned to eliminate duplicates Z: 26 28.174 2.126 0.894 0.514 0.920 0.560 CB 1.500 26 residues pruned to eliminate duplicates Z: 62 43.743 2.201 1.070 0.435 0.902 0.590 CB 1.459 62 residues pruned to eliminate duplicates Z: 16 28.190 1.991 0.865 0.887 1.000 0.867 CB 1.414 16 residues pruned to eliminate duplicates Z: 97 73.281 2.229 1.044 0.592 0.938 0.635 CB 1.604 96 residues pruned to eliminate duplicates Z: 121 82.617 2.260 1.148 0.560 0.958 0.717 CB 1.529 121 residues pruned to eliminate duplicates Z: 19 20.418 1.838 0.737 0.558 1.000 0.611 CB 1.425 Z: 26 24.233 1.981 0.929 0.576 0.920 0.760 CB 1.282 26 residues pruned to eliminate duplicates Z: 83 66.255 2.349 0.987 0.538 0.939 0.646 CB 1.608 83 residues pruned to eliminate duplicates Z: 29 35.873 2.071 0.822 0.706 0.964 0.750 CB 1.545 29 residues pruned to eliminate duplicates Z: 23 31.700 2.003 0.587 0.932 1.000 1.000 CB 1.485 23 residues pruned to eliminate duplicates Z: 77 70.297 2.415 1.026 0.587 0.921 0.684 CB 1.646 77 residues pruned to eliminate duplicates Z: 22 54.264 2.318 1.267 0.952 1.000 0.857 CB 1.551 22 residues pruned to eliminate duplicates Z: 140 105.305 2.371 1.130 0.641 0.942 0.763 CB 1.645 140 residues pruned to eliminate duplicates Z: 106 79.697 2.366 1.036 0.570 0.933 0.657 CB 1.617 106 residues pruned to eliminate duplicates Z: 9 15.476 2.046 0.932 0.459 0.875 0.625 CA 1.649 9 residues pruned to eliminate duplicates Z: 35 42.655 2.115 0.813 0.718 0.971 0.794 CB 1.614 35 residues pruned to eliminate duplicates Z: 25 30.999 2.164 1.017 0.516 0.917 0.542 CB 1.556 25 residues pruned to eliminate duplicates Z: 17 26.425 1.951 0.724 0.909 1.000 0.812 CB 1.394 17 residues pruned to eliminate duplicates Z: 17 27.638 1.933 0.817 0.877 1.000 0.812 CB 1.429 17 residues pruned to eliminate duplicates Z: 6 7.886 1.853 0.038 0.849 1.000 0.800 CB 1.360 6 residues pruned to eliminate duplicates Z: 150 88.006 2.223 1.098 0.563 0.940 0.698 CB 1.548 150 residues pruned to eliminate duplicates Z: 100 93.805 2.422 1.219 0.598 0.960 0.707 CB 1.665 100 residues pruned to eliminate duplicates Z: 28 27.248 2.033 0.820 0.504 0.926 0.556 CB 1.525 28 residues pruned to eliminate duplicates Z: 19 51.002 2.458 0.939 0.939 1.000 1.000 CB 1.752 19 residues pruned to eliminate duplicates Z: 50 44.287 2.222 1.095 0.516 0.898 0.633 CB 1.490 50 residues pruned to eliminate duplicates Z: 7 17.214 1.833 0.895 0.850 1.000 0.833 CB 1.498 7 residues pruned to eliminate duplicates Z: 27 31.837 2.131 0.826 0.538 0.962 0.577 CB 1.607 27 residues pruned to eliminate duplicates Z: 19 21.078 2.140 0.809 0.507 1.000 0.722 CB 1.274 19 residues pruned to eliminate duplicates Z: 108 65.449 2.144 0.985 0.590 0.925 0.748 CB 1.475 108 residues pruned to eliminate duplicates Z: 48 53.074 2.190 0.879 0.698 0.957 0.787 CB 1.640 48 residues pruned to eliminate duplicates Z: 69 69.619 2.349 1.142 0.618 0.926 0.632 CB 1.621 69 residues pruned to eliminate duplicates Z: 10 10.028 1.986 0.114 0.613 0.889 0.556 CB 1.528 10 residues pruned to eliminate duplicates Z: 27 22.034 1.925 0.708 0.619 0.885 0.615 CB 1.328 27 residues pruned to eliminate duplicates Z: 19 31.612 2.273 0.849 0.611 0.944 0.722 CB 1.690 19 residues pruned to eliminate duplicates Z: 107 63.645 2.149 0.996 0.593 0.925 0.679 CB 1.426 107 residues pruned to eliminate duplicates Z: 84 81.557 2.297 1.200 0.642 0.952 0.747 CB 1.630 84 residues pruned to eliminate duplicates Z: 22 38.660 2.085 0.789 0.914 1.000 0.810 CB 1.600 22 residues pruned to eliminate duplicates Z: 21 58.254 2.479 1.269 0.940 1.000 0.950 CB 1.608 21 residues pruned to eliminate duplicates Z: 44 61.312 2.454 1.159 0.636 0.907 0.721 CB 1.712 44 residues pruned to eliminate duplicates Z: 21 65.657 2.443 1.599 0.962 1.000 0.950 CB 1.581 21 residues pruned to eliminate duplicates Z: 21 35.693 2.100 0.684 0.926 1.000 0.950 CB 1.583 21 residues pruned to eliminate duplicates Z: 74 55.154 2.193 1.043 0.554 0.932 0.685 CB 1.468 74 residues pruned to eliminate duplicates Z: 7 9.708 2.128 0.162 0.795 1.000 0.833 CA 1.237 7 residues pruned to eliminate duplicates Z: 100 86.846 2.411 1.122 0.593 0.939 0.677 CB 1.661 100 residues pruned to eliminate duplicates Z: 12 49.368 2.274 1.543 0.945 1.000 1.000 CB 1.782 12 residues pruned to eliminate duplicates Z: 101 90.148 2.420 1.190 0.594 0.950 0.680 CB 1.636 101 residues pruned to eliminate duplicates Z: 7 12.564 2.070 0.618 0.816 1.000 0.667 CA 1.164 7 residues pruned to eliminate duplicates Z: 16 27.155 2.017 0.684 0.888 1.000 0.800 CB 1.487 16 residues pruned to eliminate duplicates Z: 51 60.940 2.394 0.928 0.689 0.960 0.760 CB 1.635 51 residues pruned to eliminate duplicates Z: 29 25.502 2.049 0.808 0.491 0.893 0.571 CB 1.470 29 residues pruned to eliminate duplicates Z: 8 15.187 1.776 1.100 0.764 0.857 0.571 CA 1.421 8 residues pruned to eliminate duplicates Z: 46 53.364 2.323 1.280 0.551 0.867 0.689 CB 1.649 46 residues pruned to eliminate duplicates Z: 21 57.101 2.363 1.332 0.953 1.000 0.900 CB 1.595 24 residues pruned to eliminate duplicates Z: 112 82.298 2.260 1.191 0.576 0.946 0.685 CB 1.549 112 residues pruned to eliminate duplicates Z: 69 57.959 2.251 1.101 0.523 0.941 0.647 CB 1.544 69 residues pruned to eliminate duplicates Z: 15 15.079 1.906 0.679 0.504 0.857 0.500 CB 1.464 15 residues pruned to eliminate duplicates Z: 16 20.894 2.198 1.015 0.373 1.000 0.533 CB 1.395 16 residues pruned to eliminate duplicates Z: 27 27.626 2.049 0.809 0.513 0.962 0.577 CB 1.500 27 residues pruned to eliminate duplicates Z: 58 49.690 2.245 1.096 0.475 0.947 0.684 CB 1.515 58 residues pruned to eliminate duplicates Z: 52 41.243 2.064 1.080 0.550 0.902 0.667 CB 1.420 52 residues pruned to eliminate duplicates Z: 6 5.208 1.879 0.738 0.570 1.000 0.800 CB 0.667 Z: 12 15.725 2.096 0.490 0.545 0.909 0.636 CB 1.598 12 residues pruned to eliminate duplicates Z: 29 17.151 1.718 0.756 0.450 0.893 0.607 CB 1.266 48 residues pruned to eliminate duplicates Z: 119 78.982 2.257 1.184 0.558 0.915 0.644 CB 1.523 119 residues pruned to eliminate duplicates Z: 100 88.699 2.428 1.084 0.604 0.949 0.657 CB 1.680 100 residues pruned to eliminate duplicates Z: 68 69.316 2.398 1.064 0.600 0.910 0.657 CB 1.709 68 residues pruned to eliminate duplicates Z: 17 27.132 1.935 0.754 0.853 1.000 0.750 CA 1.477 17 residues pruned to eliminate duplicates Z: 6 6.542 1.396 0.561 0.805 1.000 0.600 CB 1.029 6 residues pruned to eliminate duplicates 6 1.421 1.686 0.134 0.446 1.000 0.400 CB 0.352 ? Z: 114 73.514 2.236 1.114 0.567 0.903 0.664 CB 1.518 114 residues pruned to eliminate duplicates Z: 110 75.384 2.251 1.079 0.573 0.954 0.706 CB 1.507 110 residues pruned to eliminate duplicates Z: 6 5.386 1.883 -0.177 0.807 1.000 1.000 CB 1.189 6 residues pruned to eliminate duplicates Z: 20 50.047 2.361 1.085 0.936 1.000 0.895 CB 1.625 20 residues pruned to eliminate duplicates Z: 39 31.704 2.133 0.996 0.496 0.868 0.553 CB 1.397 39 residues pruned to eliminate duplicates Z: 41 35.567 2.128 0.939 0.547 0.925 0.700 CB 1.408 41 residues pruned to eliminate duplicates Z: 58 51.961 2.207 0.892 0.618 0.930 0.737 CB 1.585 58 residues pruned to eliminate duplicates Z: 38 39.378 2.143 1.012 0.559 0.946 0.757 CB 1.499 38 residues pruned to eliminate duplicates Z: 65 45.091 2.083 0.972 0.572 0.906 0.656 CB 1.412 65 residues pruned to eliminate duplicates Z: 18 31.775 2.270 1.214 0.576 0.882 0.647 CB 1.614 18 residues pruned to eliminate duplicates Z: 58 46.075 2.153 1.070 0.512 0.947 0.649 CB 1.429 58 residues pruned to eliminate duplicates Z: 45 52.098 2.291 1.085 0.633 0.955 0.750 CB 1.520 45 residues pruned to eliminate duplicates Z: 21 35.597 2.095 0.648 0.928 1.000 0.950 CB 1.615 21 residues pruned to eliminate duplicates Z: 7 5.446 1.818 -0.322 0.763 1.000 0.833 CB 1.427 Z: 51 49.696 2.252 1.118 0.545 0.920 0.680 CB 1.533 51 residues pruned to eliminate duplicates Z: 13 9.375 2.040 0.289 0.309 0.917 0.500 CB 1.390 13 residues pruned to eliminate duplicates Z: 51 45.045 2.155 0.961 0.567 0.940 0.680 CB 1.503 51 residues pruned to eliminate duplicates Z: 120 86.265 2.273 1.186 0.586 0.941 0.697 CB 1.557 120 residues pruned to eliminate duplicates Z: 15 28.546 2.313 1.301 0.469 0.857 0.643 CB 1.725 15 residues pruned to eliminate duplicates Z: 12 12.764 2.333 1.009 0.321 0.727 0.636 CB 1.374 12 residues pruned to eliminate duplicates Z: 113 75.580 2.247 1.041 0.575 0.929 0.714 CB 1.559 113 residues pruned to eliminate duplicates Z: 8 11.593 2.067 0.725 0.618 1.000 0.857 CB 1.099 6 residues pruned to eliminate duplicates Z: 23 54.435 2.469 1.269 0.887 1.000 0.773 CB 1.494 23 residues pruned to eliminate duplicates Z: 22 54.277 2.318 1.373 0.942 1.000 0.857 CB 1.493 22 residues pruned to eliminate duplicates Z: 21 39.454 2.096 0.949 0.919 1.000 0.900 CB 1.521 21 residues pruned to eliminate duplicates Z: 48 53.287 2.143 0.963 0.697 0.957 0.809 CB 1.612 48 residues pruned to eliminate duplicates Z: 21 31.204 2.070 0.473 0.928 1.000 0.950 CB 1.603 21 residues pruned to eliminate duplicates Z: 83 65.297 2.210 1.058 0.621 0.951 0.768 CB 1.487 83 residues pruned to eliminate duplicates Z: 18 25.401 2.093 1.131 0.536 0.824 0.765 CB 1.619 18 residues pruned to eliminate duplicates Z: 12 38.760 2.373 1.236 0.709 1.000 0.818 CB 1.821 12 residues pruned to eliminate duplicates Z: 20 16.135 1.906 0.630 0.421 0.947 0.579 CB 1.365 20 residues pruned to eliminate duplicates Z: 13 24.956 1.924 1.065 0.858 0.917 0.833 CB 1.456 13 residues pruned to eliminate duplicates Z: 64 45.704 2.079 1.031 0.555 0.905 0.667 CB 1.429 64 residues pruned to eliminate duplicates Z: 64 43.015 2.075 0.979 0.550 0.889 0.746 CB 1.414 64 residues pruned to eliminate duplicates Z: 52 42.070 2.120 1.041 0.559 0.902 0.667 CB 1.426 52 residues pruned to eliminate duplicates Z: 16 17.981 1.659 0.657 0.928 1.000 0.933 CB 1.183 Z: 34 30.525 2.176 0.972 0.461 0.939 0.485 CB 1.372 34 residues pruned to eliminate duplicates Z: 111 78.766 2.290 1.093 0.570 0.945 0.682 CB 1.549 111 residues pruned to eliminate duplicates Z: 14 14.253 1.655 0.630 0.872 0.923 0.692 CB 1.157 14 residues pruned to eliminate duplicates Z: 25 34.532 2.200 1.099 0.567 0.875 0.667 CB 1.635 25 residues pruned to eliminate duplicates Z: 152 109.852 2.372 1.142 0.627 0.934 0.735 CB 1.671 152 residues pruned to eliminate duplicates Z: 16 16.502 1.639 0.560 0.909 1.000 0.667 CB 1.182 16 residues pruned to eliminate duplicates Z: 21 22.229 2.094 0.900 0.474 0.850 0.750 CB 1.510 21 residues pruned to eliminate duplicates Z: 17 24.796 1.975 0.651 0.894 1.000 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 65 44.285 2.077 1.002 0.529 0.922 0.703 CB 1.404 65 residues pruned to eliminate duplicates Z: 17 12.858 1.544 0.508 0.840 0.938 0.750 CB 1.099 16 residues pruned to eliminate duplicates Z: 24 20.848 1.990 0.844 0.572 0.826 0.696 CB 1.337 24 residues pruned to eliminate duplicates Z: 17 19.608 2.094 1.087 0.372 0.938 0.500 CB 1.372 17 residues pruned to eliminate duplicates Z: 6 3.370 1.466 1.016 0.312 0.800 0.400 CA 0.786 Z: 57 59.748 2.271 1.192 0.634 0.946 0.732 CB 1.494 57 residues pruned to eliminate duplicates Z: 11 20.295 2.202 0.965 0.689 1.000 0.900 CB 1.247 11 residues pruned to eliminate duplicates Z: 102 81.855 2.313 1.175 0.589 0.921 0.663 CB 1.615 102 residues pruned to eliminate duplicates Z: 12 13.186 2.132 0.978 0.423 0.818 0.364 CB 1.248 12 residues pruned to eliminate duplicates Z: 37 31.740 2.108 1.003 0.494 0.917 0.611 CB 1.375 37 residues pruned to eliminate duplicates Z: 25 35.414 2.193 0.927 0.546 1.000 0.583 CB 1.636 25 residues pruned to eliminate duplicates Z: 61 48.017 2.179 0.978 0.599 0.917 0.683 CB 1.428 61 residues pruned to eliminate duplicates Z: 63 44.052 2.110 0.972 0.526 0.919 0.710 CB 1.425 63 residues pruned to eliminate duplicates Z: 6 11.207 2.017 0.492 0.639 1.000 0.600 CB 1.463 6 residues pruned to eliminate duplicates Z: 17 24.096 1.945 0.879 0.867 1.000 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 17 21.367 1.938 0.896 0.538 0.938 0.562 CB 1.494 Z: 22 36.512 2.225 1.014 0.934 1.000 0.714 CB 1.240 22 residues pruned to eliminate duplicates Z: 33 38.784 2.279 1.179 0.503 0.875 0.688 CB 1.573 33 residues pruned to eliminate duplicates Z: 22 38.642 1.985 0.901 0.922 1.000 0.667 CB 1.572 22 residues pruned to eliminate duplicates Z: 47 45.504 2.125 1.010 0.636 0.935 0.609 CB 1.480 47 residues pruned to eliminate duplicates Z: 7 5.074 1.889 0.094 0.630 1.000 0.667 CB 0.887 7 residues pruned to eliminate duplicates Z: 153 107.938 2.361 1.114 0.624 0.941 0.704 CB 1.658 153 residues pruned to eliminate duplicates Z: 17 11.022 1.912 0.786 0.476 0.750 0.625 CB 1.103 17 residues pruned to eliminate duplicates Z: 76 74.802 2.278 1.196 0.613 0.933 0.733 CB 1.662 76 residues pruned to eliminate duplicates Z: 10 6.031 1.733 -0.086 0.776 1.000 0.889 CB 0.995 Z: 17 24.651 2.222 1.111 0.535 0.875 0.750 CB 1.451 17 residues pruned to eliminate duplicates Z: 134 78.647 2.213 1.047 0.581 0.925 0.722 CB 1.507 134 residues pruned to eliminate duplicates Z: 51 38.473 2.138 0.901 0.496 0.920 0.600 CB 1.461 51 residues pruned to eliminate duplicates Z: 7 14.567 2.120 0.438 0.764 1.000 0.667 CA 1.544 7 residues pruned to eliminate duplicates Z: 16 26.231 1.991 0.698 0.895 1.000 0.867 CB 1.436 16 residues pruned to eliminate duplicates Z: 41 47.004 2.338 1.053 0.565 0.825 0.625 CB 1.762 41 residues pruned to eliminate duplicates Z: 65 44.583 2.101 0.965 0.523 0.922 0.688 CB 1.431 65 residues pruned to eliminate duplicates Z: 27 38.537 2.113 0.797 0.743 1.000 0.808 CB 1.602 27 residues pruned to eliminate duplicates Z: 6 8.135 1.615 0.536 0.830 1.000 0.800 CB 1.103 6 residues pruned to eliminate duplicates Z: 17 16.705 1.625 0.618 0.898 1.000 0.812 CB 1.136 17 residues pruned to eliminate duplicates Z: 111 76.782 2.272 1.093 0.574 0.927 0.700 CB 1.545 111 residues pruned to eliminate duplicates Z: 54 56.599 2.198 1.007 0.654 0.943 0.811 CB 1.619 54 residues pruned to eliminate duplicates Z: 11 9.594 1.581 0.355 0.681 1.000 0.700 CB 1.199 10 residues pruned to eliminate duplicates Z: 9 7.436 1.467 0.748 0.665 0.875 0.500 N 1.006 9 residues pruned to eliminate duplicates Z: 6 8.589 1.699 0.617 0.669 1.000 0.800 C 1.196 6 residues pruned to eliminate duplicates Z: 6 5.986 1.437 0.441 0.707 1.000 0.600 O 1.071 6 residues pruned to eliminate duplicates Z: 64 45.528 2.091 0.952 0.539 0.952 0.698 CB 1.420 64 residues pruned to eliminate duplicates Z: 14 22.461 2.234 1.206 0.570 0.923 0.846 CB 1.280 14 residues pruned to eliminate duplicates Z: 18 20.681 1.911 0.827 0.588 0.941 0.647 CB 1.402 17 residues pruned to eliminate duplicates Z: 11 25.629 2.142 1.084 0.660 1.000 0.800 CB 1.565 11 residues pruned to eliminate duplicates Z: 13 16.371 1.921 0.896 0.416 0.917 0.583 CB 1.545 13 residues pruned to eliminate duplicates Z: 21 69.281 2.664 1.297 0.947 1.000 0.850 CB 1.750 21 residues pruned to eliminate duplicates Z: 28 37.256 2.087 0.737 0.761 1.000 0.778 CB 1.569 28 residues pruned to eliminate duplicates Z: 6 9.811 1.591 0.629 0.791 1.000 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 29 21.304 1.902 0.844 0.535 0.929 0.607 CB 1.194 29 residues pruned to eliminate duplicates Z: 17 16.939 1.922 0.683 0.515 0.875 0.625 CB 1.473 17 residues pruned to eliminate duplicates Z: 18 13.768 1.802 0.727 0.447 0.824 0.471 CB 1.377 18 residues pruned to eliminate duplicates Z: 50 64.622 2.373 1.332 0.573 0.959 0.796 CB 1.621 50 residues pruned to eliminate duplicates Z: 69 66.154 2.238 1.033 0.619 0.956 0.750 CB 1.649 69 residues pruned to eliminate duplicates Z: 36 39.911 2.273 1.015 0.588 0.943 0.771 CB 1.435 36 residues pruned to eliminate duplicates Z: 7 7.862 1.596 0.410 0.835 1.000 0.833 CB 1.069 7 residues pruned to eliminate duplicates Z: 16 12.938 1.863 0.631 0.505 0.733 0.533 CB 1.493 16 residues pruned to eliminate duplicates Z: 21 43.378 2.122 0.920 0.931 1.000 0.950 CB 1.664 21 residues pruned to eliminate duplicates Z: 19 35.725 2.360 1.224 0.570 0.889 0.722 CB 1.687 19 residues pruned to eliminate duplicates Z: 60 57.378 2.338 0.952 0.633 0.949 0.712 CB 1.522 60 residues pruned to eliminate duplicates Z: 32 65.938 2.563 1.182 0.761 1.000 0.839 CB 1.679 32 residues pruned to eliminate duplicates Z: 32 25.835 1.990 0.980 0.469 0.871 0.548 CB 1.396 32 residues pruned to eliminate duplicates Z: 40 38.407 2.079 0.817 0.643 0.923 0.769 CB 1.542 40 residues pruned to eliminate duplicates Z: 67 78.797 2.446 1.170 0.628 0.955 0.697 CB 1.697 67 residues pruned to eliminate duplicates Z: 6 3.021 1.827 0.010 0.620 0.800 0.600 CB 0.817 Z: 57 42.413 2.158 0.974 0.505 0.911 0.661 CB 1.454 57 residues pruned to eliminate duplicates Z: 84 78.704 2.404 1.139 0.580 0.964 0.663 CB 1.614 84 residues pruned to eliminate duplicates Z: 7 6.109 1.694 0.610 0.554 0.833 0.500 N 1.040 Z: 32 36.203 2.137 1.138 0.529 0.903 0.581 CB 1.530 32 residues pruned to eliminate duplicates Z: 21 28.642 2.287 1.065 0.420 0.900 0.450 CB 1.638 21 residues pruned to eliminate duplicates Z: 85 62.131 2.171 1.041 0.573 0.940 0.726 CB 1.516 84 residues pruned to eliminate duplicates Z: 17 21.601 1.882 0.588 0.884 1.000 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 32 44.149 2.348 1.260 0.562 0.903 0.710 CB 1.558 32 residues pruned to eliminate duplicates Z: 21 53.479 2.437 1.225 0.948 1.000 0.900 CB 1.522 21 residues pruned to eliminate duplicates Z: 18 24.711 1.876 0.684 0.813 0.941 0.765 CB 1.535 18 residues pruned to eliminate duplicates Z: 17 15.764 1.637 0.523 0.907 1.000 0.812 CB 1.124 17 residues pruned to eliminate duplicates Z: 81 63.184 2.344 1.095 0.497 0.900 0.625 CB 1.603 81 residues pruned to eliminate duplicates Z: 15 13.389 1.933 0.944 0.561 0.714 0.643 CB 1.256 15 residues pruned to eliminate duplicates Z: 6 2.508 1.599 0.756 0.597 0.800 0.800 CB 0.455 Z: 26 37.187 2.217 1.125 0.590 0.920 0.680 CB 1.575 26 residues pruned to eliminate duplicates Z: 20 16.939 1.960 0.777 0.534 0.842 0.684 CB 1.281 20 residues pruned to eliminate duplicates Z: 7 6.579 1.813 0.487 0.533 0.833 0.500 CA 1.157 Z: 17 19.274 1.931 0.652 0.559 0.938 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 28 47.403 2.348 1.412 0.572 0.926 0.778 CB 1.623 28 residues pruned to eliminate duplicates Z: 11 23.222 2.100 0.839 0.664 1.000 0.700 CB 1.633 11 residues pruned to eliminate duplicates Z: 38 49.841 2.365 1.229 0.575 0.892 0.676 CB 1.621 38 residues pruned to eliminate duplicates Z: 15 16.712 1.730 0.447 0.929 1.000 0.929 CB 1.248 15 residues pruned to eliminate duplicates Z: 21 36.458 2.307 0.999 0.586 0.950 0.650 CB 1.714 21 residues pruned to eliminate duplicates Z: 84 76.538 2.288 1.100 0.633 0.952 0.783 CB 1.621 84 residues pruned to eliminate duplicates Z: 17 19.960 1.885 0.679 0.593 1.000 0.562 CB 1.442 17 residues pruned to eliminate duplicates Z: 28 37.815 2.128 0.756 0.720 1.000 0.815 CB 1.596 28 residues pruned to eliminate duplicates Z: 81 77.992 2.434 1.081 0.587 0.963 0.713 CB 1.645 81 residues pruned to eliminate duplicates Z: 6 3.460 1.790 0.439 0.419 0.600 0.600 N 1.089 Z: 29 36.607 2.219 1.312 0.564 0.893 0.750 CB 1.419 29 residues pruned to eliminate duplicates Z: 53 36.206 2.025 0.862 0.538 0.923 0.692 CB 1.390 53 residues pruned to eliminate duplicates Z: 17 21.204 1.960 0.588 0.895 0.938 0.875 CB 1.302 17 residues pruned to eliminate duplicates Z: 15 28.058 2.050 0.771 0.893 1.000 0.857 CB 1.483 15 residues pruned to eliminate duplicates Z: 33 36.663 2.159 1.069 0.524 0.906 0.688 CB 1.564 39 residues pruned to eliminate duplicates Z: 24 41.831 2.001 0.953 0.882 1.000 0.913 CB 1.615 24 residues pruned to eliminate duplicates Z: 16 25.828 2.006 0.640 0.895 1.000 0.933 CB 1.453 16 residues pruned to eliminate duplicates Z: 65 44.769 2.094 1.038 0.538 0.906 0.719 CB 1.393 65 residues pruned to eliminate duplicates Z: 15 27.418 2.060 0.694 0.912 1.000 0.929 CB 1.487 15 residues pruned to eliminate duplicates Z: 60 53.551 2.265 1.129 0.511 0.932 0.678 CB 1.534 60 residues pruned to eliminate duplicates Z: 31 32.974 2.184 0.694 0.717 0.967 0.833 CB 1.384 31 residues pruned to eliminate duplicates Z: 21 37.051 2.102 0.850 0.916 1.000 0.850 CB 1.505 21 residues pruned to eliminate duplicates Z: 22 18.837 2.031 0.865 0.470 0.857 0.619 CB 1.305 22 residues pruned to eliminate duplicates Z: 7 9.322 2.036 0.429 0.611 0.833 0.833 CB 1.413 7 residues pruned to eliminate duplicates Z: 6 2.393 1.151 0.818 0.483 0.800 0.400 N 0.651 6 residues pruned to eliminate duplicates Z: 48 48.914 2.167 1.177 0.610 0.936 0.766 CB 1.455 48 residues pruned to eliminate duplicates Z: 31 36.245 2.204 1.105 0.493 0.967 0.667 CB 1.486 31 residues pruned to eliminate duplicates Z: 32 49.111 2.216 1.281 0.646 0.935 0.774 CB 1.628 32 residues pruned to eliminate duplicates Z: 36 33.824 2.180 0.940 0.474 0.914 0.600 CB 1.518 36 residues pruned to eliminate duplicates Z: 50 47.451 2.175 1.117 0.576 0.939 0.776 CB 1.457 50 residues pruned to eliminate duplicates Z: 8 5.221 1.687 0.005 0.491 0.857 0.286 N 1.371 Z: 12 11.106 1.732 0.230 0.753 0.909 0.909 CB 1.380 12 residues pruned to eliminate duplicates Z: 38 32.569 2.140 0.691 0.560 0.892 0.568 CB 1.565 38 residues pruned to eliminate duplicates Z: 7 2.204 1.749 -0.151 0.494 0.833 0.333 CB 0.731 Z: 81 50.024 2.097 1.008 0.530 0.913 0.625 CB 1.413 81 residues pruned to eliminate duplicates Z: 11 5.935 1.587 0.511 0.448 0.900 0.500 CB 0.917 Z: 21 43.960 2.096 1.024 0.914 1.000 0.800 CB 1.639 21 residues pruned to eliminate duplicates Z: 27 23.152 1.924 0.754 0.672 0.885 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 25 30.704 2.140 0.882 0.516 0.958 0.542 CB 1.598 25 residues pruned to eliminate duplicates Z: 6 7.397 1.617 0.705 0.792 0.800 0.600 CA 1.160 6 residues pruned to eliminate duplicates Z: 37 37.818 2.287 1.022 0.417 0.917 0.611 CB 1.621 37 residues pruned to eliminate duplicates Z: 39 42.527 2.225 1.045 0.571 0.921 0.763 CB 1.537 39 residues pruned to eliminate duplicates Z: 6 9.018 2.242 0.669 0.400 0.800 0.600 CB 1.497 6 residues pruned to eliminate duplicates Z: 40 34.822 2.085 1.016 0.535 0.923 0.692 CB 1.389 40 residues pruned to eliminate duplicates Z: 7 5.452 1.781 0.000 0.624 0.833 0.500 CB 1.334 Z: 99 65.670 2.196 1.042 0.555 0.918 0.735 CB 1.527 99 residues pruned to eliminate duplicates Z: 10 9.457 1.888 1.145 0.730 1.000 0.667 CB 0.633 Z: 6 8.557 1.670 0.330 0.817 1.000 1.000 CA 1.309 6 residues pruned to eliminate duplicates Z: 41 50.207 2.342 1.090 0.621 0.900 0.700 CB 1.609 41 residues pruned to eliminate duplicates Z: 33 43.723 2.130 0.823 0.754 0.969 0.781 CB 1.638 33 residues pruned to eliminate duplicates Z: 84 74.137 2.407 1.007 0.589 0.940 0.614 CB 1.645 84 residues pruned to eliminate duplicates Z: 52 42.391 2.181 1.004 0.523 0.922 0.647 CB 1.441 52 residues pruned to eliminate duplicates 7 1.682 1.390 0.951 0.564 0.833 0.833 CB 0.286 ? Z: 11 6.576 1.757 0.492 0.411 0.700 0.400 CB 1.245 11 residues pruned to eliminate duplicates Z: 90 70.116 2.272 1.013 0.585 0.933 0.719 CB 1.605 90 residues pruned to eliminate duplicates Z: 17 16.519 1.633 0.526 0.922 1.000 0.938 CB 1.165 17 residues pruned to eliminate duplicates Z: 29 28.435 2.010 0.988 0.525 0.893 0.607 CB 1.469 29 residues pruned to eliminate duplicates Z: 44 60.053 2.430 1.140 0.658 0.953 0.767 CB 1.595 44 residues pruned to eliminate duplicates Z: 121 79.609 2.241 1.094 0.581 0.933 0.692 CB 1.535 121 residues pruned to eliminate duplicates Z: 6 3.909 1.559 0.544 0.261 0.800 0.400 N 1.193 Z: 26 22.470 2.081 0.808 0.468 0.800 0.720 CB 1.543 26 residues pruned to eliminate duplicates Z: 40 35.132 2.120 0.957 0.526 0.923 0.641 CB 1.432 40 residues pruned to eliminate duplicates Z: 16 30.469 2.162 1.111 0.757 0.933 0.800 CB 1.469 16 residues pruned to eliminate duplicates Z: 81 48.257 2.073 0.906 0.518 0.938 0.613 CB 1.431 81 residues pruned to eliminate duplicates Z: 17 13.624 1.624 0.321 0.901 1.000 0.812 CB 1.133 17 residues pruned to eliminate duplicates Z: 35 33.597 2.164 1.153 0.459 0.882 0.588 CB 1.461 35 residues pruned to eliminate duplicates Z: 18 22.342 1.864 0.726 0.634 1.000 0.824 CB 1.485 18 residues pruned to eliminate duplicates Z: 39 50.056 2.223 1.020 0.692 0.947 0.763 CB 1.601 39 residues pruned to eliminate duplicates Z: 15 15.574 1.946 0.574 0.649 0.929 0.929 CB 1.275 15 residues pruned to eliminate duplicates Z: 22 24.932 1.963 0.619 0.879 0.905 0.714 CB 1.373 22 residues pruned to eliminate duplicates Z: 6 17.404 2.098 0.700 0.857 1.000 0.800 CA 1.608 6 residues pruned to eliminate duplicates Z: 107 62.415 2.126 0.977 0.607 0.925 0.708 CB 1.409 107 residues pruned to eliminate duplicates Z: 51 37.748 1.992 0.996 0.534 0.940 0.660 CB 1.382 51 residues pruned to eliminate duplicates Z: 6 4.387 1.994 1.086 0.807 1.000 1.000 CB 0.361 Z: 10 19.133 2.473 0.974 0.870 0.889 0.778 CB 1.073 10 residues pruned to eliminate duplicates Z: 33 40.046 2.232 0.921 0.544 0.906 0.688 CB 1.745 33 residues pruned to eliminate duplicates Z: 6 4.256 1.778 -0.209 0.853 1.000 1.000 CB 1.000 6 residues pruned to eliminate duplicates Z: 17 24.819 1.947 0.798 0.903 1.000 0.875 CB 1.263 17 residues pruned to eliminate duplicates Z: 24 24.173 1.979 0.890 0.537 0.870 0.522 CB 1.495 24 residues pruned to eliminate duplicates Z: 7 4.823 1.738 0.344 0.540 0.667 0.667 CB 1.216 6 residues pruned to eliminate duplicates Z: 10 28.893 2.284 1.505 0.841 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 65 41.284 2.075 0.950 0.547 0.891 0.641 CB 1.368 65 residues pruned to eliminate duplicates Z: 10 18.426 2.040 1.022 0.462 1.000 0.444 CA 1.548 10 residues pruned to eliminate duplicates Z: 31 33.781 2.213 1.004 0.526 0.933 0.733 CB 1.452 31 residues pruned to eliminate duplicates Z: 11 5.652 1.681 0.142 0.447 0.800 0.500 N 1.229 8 residues pruned to eliminate duplicates Z: 112 72.874 2.247 1.053 0.571 0.919 0.676 CB 1.525 112 residues pruned to eliminate duplicates Z: 25 35.546 1.865 0.835 0.842 1.000 0.833 CA 1.579 25 residues pruned to eliminate duplicates Z: 6 5.986 1.943 -0.356 0.796 1.000 0.800 C 1.651 Z: 17 15.573 1.629 0.564 0.879 1.000 0.750 CB 1.108 17 residues pruned to eliminate duplicates Z: 16 24.546 2.284 1.003 0.374 1.000 0.667 CB 1.586 16 residues pruned to eliminate duplicates Z: 36 24.624 1.913 0.926 0.487 0.886 0.600 CB 1.293 36 residues pruned to eliminate duplicates 444 residues left after pruning, divided into chains as follows: A: 107 B: 303 C: 16 D: 18 CC for partial structure against native data = 46.41 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.789 for dens.mod. cycle 1 = 0.300, Contrast = 0.624, Connect. = 0.812 for dens.mod. cycle 2 = 0.300, Contrast = 0.748, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.764, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.780, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.794, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.797, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.800, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.802, Connect. = 0.837 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2276 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 526 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 56.851 2.623 0.874 0.932 1.000 0.905 CB 1.762 B: 22 56.114 2.627 0.912 0.925 0.952 0.905 CB 1.796 22 residues pruned to eliminate duplicates C: 22 45.185 2.618 0.585 0.913 0.952 0.905 CB 1.766 22 residues pruned to eliminate duplicates D: 22 53.075 2.611 0.816 0.944 1.000 0.952 CB 1.692 22 residues pruned to eliminate duplicates E: 22 51.598 2.643 0.940 0.895 0.905 0.857 CB 1.740 22 residues pruned to eliminate duplicates F: 23 33.677 2.107 0.617 0.922 0.955 0.864 CB 1.553 G: 22 30.099 2.154 0.298 0.917 1.000 0.952 CB 1.657 23 residues pruned to eliminate duplicates H: 21 69.513 2.713 1.114 0.955 1.000 0.700 CB 1.862 22 residues pruned to eliminate duplicates I: 21 75.692 2.729 1.266 0.956 1.000 0.800 CB 1.880 21 residues pruned to eliminate duplicates J: 22 46.859 2.615 0.708 0.902 0.952 0.857 CB 1.715 22 residues pruned to eliminate duplicates K: 22 44.792 2.613 0.541 0.933 0.952 0.905 CB 1.779 21 residues pruned to eliminate duplicates L: 21 42.829 2.363 0.651 0.949 1.000 0.950 CB 1.695 M: 22 56.995 2.635 1.073 0.905 0.905 0.857 CB 1.792 22 residues pruned to eliminate duplicates N: 22 65.742 2.628 1.238 0.942 0.952 0.667 CB 1.776 22 residues pruned to eliminate duplicates O: 20 60.845 2.563 1.073 0.955 1.000 0.895 CB 1.806 P: 22 58.784 2.632 1.012 0.928 0.952 0.762 CB 1.781 22 residues pruned to eliminate duplicates Q: 22 37.541 2.298 0.581 0.938 1.000 0.952 CB 1.568 22 residues pruned to eliminate duplicates R: 22 60.880 2.621 1.225 0.899 0.952 0.619 CB 1.710 22 residues pruned to eliminate duplicates S: 19 48.005 2.468 0.891 0.952 1.000 0.889 CB 1.670 22 residues pruned to eliminate duplicates T: 22 54.437 2.638 0.907 0.895 0.952 0.857 CB 1.777 22 residues pruned to eliminate duplicates U: 22 65.022 2.639 1.136 0.930 1.000 0.810 CB 1.760 22 residues pruned to eliminate duplicates V: 22 48.938 2.334 1.017 0.929 1.000 0.762 CB 1.588 18 residues pruned to eliminate duplicates W: 20 65.895 2.551 1.248 0.944 1.000 0.895 CB 1.826 20 residues pruned to eliminate duplicates X: 20 68.489 2.573 1.303 0.946 1.000 0.895 CB 1.834 20 residues pruned to eliminate duplicates Y: 84 79.905 2.388 1.037 0.624 0.952 0.747 CB 1.685 22 residues pruned to eliminate duplicates Z: 22 68.914 2.634 1.388 0.908 0.952 0.619 CB 1.782 22 residues pruned to eliminate duplicates Z: 23 34.098 2.037 0.683 0.917 1.000 0.864 CB 1.497 22 residues pruned to eliminate duplicates Z: 22 42.349 2.327 0.691 0.949 1.000 1.000 CB 1.621 22 residues pruned to eliminate duplicates Z: 111 79.547 2.328 0.962 0.582 0.945 0.700 CB 1.623 20 residues pruned to eliminate duplicates Z: 22 47.416 2.339 0.929 0.927 1.000 0.762 CB 1.606 22 residues pruned to eliminate duplicates Z: 129 103.661 2.412 1.094 0.624 0.945 0.773 CB 1.708 107 residues pruned to eliminate duplicates Z: 22 49.667 2.348 0.992 0.948 1.000 0.857 CB 1.601 22 residues pruned to eliminate duplicates Z: 22 69.166 2.639 1.237 0.945 1.000 0.714 CB 1.769 22 residues pruned to eliminate duplicates Z: 84 71.741 2.359 0.943 0.616 0.952 0.735 CB 1.617 85 residues pruned to eliminate duplicates Z: 111 91.820 2.472 1.054 0.585 0.909 0.718 CB 1.748 87 residues pruned to eliminate duplicates Z: 63 47.152 2.162 1.017 0.556 0.919 0.677 CB 1.414 Z: 84 72.134 2.344 0.993 0.606 0.928 0.711 CB 1.652 84 residues pruned to eliminate duplicates Z: 73 72.828 2.322 1.009 0.642 0.958 0.736 CB 1.682 73 residues pruned to eliminate duplicates Z: 21 47.080 2.366 0.883 0.921 1.000 0.950 CB 1.663 21 residues pruned to eliminate duplicates Z: 42 38.672 2.118 0.717 0.606 0.951 0.732 CB 1.580 Z: 21 53.319 2.517 0.925 0.945 1.000 0.950 CB 1.702 21 residues pruned to eliminate duplicates Z: 86 66.516 2.336 0.877 0.587 0.918 0.682 CB 1.650 86 residues pruned to eliminate duplicates Z: 21 48.156 2.499 0.741 0.941 1.000 0.900 CB 1.718 21 residues pruned to eliminate duplicates Z: 21 53.884 2.514 0.916 0.947 1.000 1.000 CB 1.729 21 residues pruned to eliminate duplicates Z: 48 41.435 2.150 0.901 0.563 0.936 0.617 CB 1.487 48 residues pruned to eliminate duplicates Z: 63 45.854 2.155 0.951 0.538 0.935 0.645 CB 1.427 63 residues pruned to eliminate duplicates Z: 22 68.377 2.612 1.341 0.951 0.952 0.619 CB 1.767 22 residues pruned to eliminate duplicates Z: 21 58.720 2.507 1.164 0.941 1.000 0.950 CB 1.679 21 residues pruned to eliminate duplicates Z: 20 72.240 2.557 1.454 0.957 1.000 0.895 CB 1.812 20 residues pruned to eliminate duplicates Z: 43 36.746 2.104 0.727 0.589 0.929 0.643 CB 1.543 43 residues pruned to eliminate duplicates Z: 85 81.478 2.469 1.073 0.579 0.940 0.667 CB 1.711 84 residues pruned to eliminate duplicates Z: 50 40.917 2.134 0.934 0.543 0.918 0.612 CB 1.478 51 residues pruned to eliminate duplicates Z: 20 65.710 2.572 1.176 0.962 1.000 1.000 CB 1.842 20 residues pruned to eliminate duplicates Z: 21 58.463 2.463 1.290 0.914 0.950 0.850 CB 1.726 21 residues pruned to eliminate duplicates Z: 122 82.863 2.296 1.041 0.571 0.934 0.678 CB 1.607 125 residues pruned to eliminate duplicates Z: 54 43.688 2.262 0.904 0.506 0.868 0.528 CB 1.596 54 residues pruned to eliminate duplicates Z: 21 32.563 2.123 0.526 0.895 1.000 0.900 CB 1.611 21 residues pruned to eliminate duplicates Z: 48 48.899 2.227 0.711 0.685 0.936 0.702 CB 1.688 48 residues pruned to eliminate duplicates Z: 64 44.191 2.128 0.903 0.563 0.921 0.698 CB 1.405 64 residues pruned to eliminate duplicates Z: 63 47.389 2.165 0.901 0.561 0.952 0.694 CB 1.448 63 residues pruned to eliminate duplicates Z: 21 44.454 2.498 0.634 0.944 1.000 1.000 CB 1.687 21 residues pruned to eliminate duplicates Z: 21 38.501 2.341 0.547 0.911 1.000 0.950 CB 1.684 21 residues pruned to eliminate duplicates Z: 98 65.146 2.252 0.882 0.547 0.918 0.670 CB 1.624 98 residues pruned to eliminate duplicates Z: 29 35.499 2.162 0.674 0.682 0.964 0.714 CB 1.626 29 residues pruned to eliminate duplicates Z: 60 49.098 2.303 0.991 0.486 0.898 0.627 CB 1.575 60 residues pruned to eliminate duplicates Z: 50 44.875 2.146 0.952 0.595 0.918 0.633 CB 1.521 50 residues pruned to eliminate duplicates Z: 112 73.939 2.308 0.900 0.574 0.928 0.676 CB 1.606 112 residues pruned to eliminate duplicates Z: 21 58.827 2.517 1.116 0.947 1.000 0.950 CB 1.707 21 residues pruned to eliminate duplicates Z: 22 54.683 2.340 1.219 0.948 1.000 0.952 CB 1.587 22 residues pruned to eliminate duplicates Z: 19 50.537 2.576 0.721 0.950 1.000 0.833 CB 1.852 19 residues pruned to eliminate duplicates Z: 64 40.905 2.105 0.873 0.540 0.889 0.651 CB 1.414 64 residues pruned to eliminate duplicates Z: 110 93.746 2.491 1.060 0.591 0.927 0.706 CB 1.731 111 residues pruned to eliminate duplicates Z: 21 29.733 2.163 0.411 0.903 1.000 0.850 CB 1.552 21 residues pruned to eliminate duplicates Z: 46 45.932 2.240 0.667 0.690 0.889 0.756 CB 1.734 46 residues pruned to eliminate duplicates Z: 106 81.122 2.382 0.925 0.580 0.943 0.695 CB 1.696 106 residues pruned to eliminate duplicates Z: 98 74.176 2.301 1.000 0.591 0.948 0.701 CB 1.581 98 residues pruned to eliminate duplicates Z: 105 67.449 2.260 0.995 0.537 0.923 0.654 CB 1.533 105 residues pruned to eliminate duplicates Z: 20 30.179 2.157 1.006 0.638 0.895 0.737 CB 1.571 20 residues pruned to eliminate duplicates Z: 47 51.078 2.223 0.747 0.704 0.935 0.717 CB 1.723 46 residues pruned to eliminate duplicates Z: 152 109.901 2.450 1.006 0.617 0.940 0.742 CB 1.733 152 residues pruned to eliminate duplicates Z: 17 44.671 2.455 1.056 0.890 0.938 0.812 CB 1.698 17 residues pruned to eliminate duplicates Z: 12 19.652 2.031 1.212 0.523 0.818 0.545 CA 1.576 12 residues pruned to eliminate duplicates Z: 153 107.080 2.424 0.992 0.618 0.934 0.684 CB 1.721 153 residues pruned to eliminate duplicates Z: 39 37.668 2.165 1.073 0.550 0.895 0.658 CB 1.451 39 residues pruned to eliminate duplicates Z: 50 61.061 2.478 1.124 0.535 0.918 0.673 CB 1.744 50 residues pruned to eliminate duplicates Z: 71 72.647 2.456 1.024 0.604 0.929 0.686 CB 1.704 71 residues pruned to eliminate duplicates Z: 24 39.350 2.052 0.856 0.908 1.000 0.913 CB 1.530 24 residues pruned to eliminate duplicates Z: 29 31.592 2.129 0.627 0.674 0.929 0.750 CB 1.581 29 residues pruned to eliminate duplicates Z: 119 75.222 2.296 0.881 0.560 0.915 0.661 CB 1.652 119 residues pruned to eliminate duplicates Z: 12 25.789 2.158 1.211 0.610 0.909 0.727 CA 1.615 12 residues pruned to eliminate duplicates Z: 122 64.313 2.104 0.834 0.609 0.934 0.686 CB 1.463 84 residues pruned to eliminate duplicates Z: 93 75.446 2.361 0.873 0.617 0.935 0.707 CB 1.703 93 residues pruned to eliminate duplicates Z: 30 33.395 2.096 0.610 0.695 0.966 0.724 CB 1.593 29 residues pruned to eliminate duplicates Z: 22 53.630 2.332 1.183 0.945 1.000 0.857 CB 1.591 22 residues pruned to eliminate duplicates Z: 26 39.648 2.295 1.215 0.552 0.920 0.680 CB 1.612 26 residues pruned to eliminate duplicates Z: 20 53.277 2.410 0.953 0.956 1.000 1.000 CB 1.784 20 residues pruned to eliminate duplicates Z: 65 44.371 2.138 0.932 0.543 0.906 0.703 CB 1.420 65 residues pruned to eliminate duplicates Z: 85 71.078 2.365 0.917 0.594 0.929 0.726 CB 1.685 85 residues pruned to eliminate duplicates Z: 128 102.357 2.440 1.012 0.632 0.937 0.717 CB 1.744 128 residues pruned to eliminate duplicates Z: 18 48.573 2.446 1.335 0.627 1.000 0.824 CB 1.831 18 residues pruned to eliminate duplicates Z: 19 43.564 2.394 0.700 0.898 1.000 0.889 CB 1.805 19 residues pruned to eliminate duplicates Z: 149 82.980 2.275 0.852 0.567 0.932 0.703 CB 1.627 149 residues pruned to eliminate duplicates Z: 22 65.289 2.606 1.337 0.917 0.952 0.762 CB 1.734 22 residues pruned to eliminate duplicates Z: 46 51.630 2.286 0.724 0.711 0.956 0.822 CB 1.688 46 residues pruned to eliminate duplicates Z: 32 34.893 2.180 0.964 0.569 0.935 0.645 CB 1.464 32 residues pruned to eliminate duplicates Z: 20 59.978 2.535 1.143 0.946 1.000 0.842 CB 1.752 20 residues pruned to eliminate duplicates Z: 84 77.046 2.374 0.983 0.612 0.952 0.771 CB 1.698 84 residues pruned to eliminate duplicates Z: 113 74.778 2.298 0.898 0.568 0.946 0.670 CB 1.602 113 residues pruned to eliminate duplicates Z: 41 50.034 2.321 1.082 0.551 0.925 0.725 CB 1.684 41 residues pruned to eliminate duplicates Z: 18 20.991 1.933 0.674 0.618 1.000 0.588 CB 1.407 Z: 21 37.709 2.162 0.821 0.920 0.900 0.850 CB 1.676 21 residues pruned to eliminate duplicates Z: 123 76.964 2.279 0.983 0.561 0.926 0.672 CB 1.569 123 residues pruned to eliminate duplicates Z: 17 27.841 2.046 0.638 0.891 0.938 0.812 CB 1.592 17 residues pruned to eliminate duplicates Z: 22 44.884 2.296 0.903 0.923 1.000 0.810 CB 1.575 22 residues pruned to eliminate duplicates Z: 121 85.872 2.304 1.055 0.590 0.942 0.725 CB 1.613 121 residues pruned to eliminate duplicates Z: 17 28.963 2.054 0.663 0.879 1.000 0.812 CB 1.537 17 residues pruned to eliminate duplicates Z: 17 28.713 2.052 0.588 0.899 1.000 0.812 CB 1.574 17 residues pruned to eliminate duplicates Z: 118 65.415 2.234 0.963 0.512 0.897 0.641 CB 1.518 118 residues pruned to eliminate duplicates Z: 20 47.193 2.369 0.738 0.935 1.000 1.000 CB 1.832 20 residues pruned to eliminate duplicates Z: 154 107.123 2.423 1.019 0.611 0.941 0.673 CB 1.694 154 residues pruned to eliminate duplicates Z: 86 56.207 2.249 0.784 0.564 0.918 0.647 CB 1.556 86 residues pruned to eliminate duplicates Z: 29 33.922 2.114 0.728 0.674 0.964 0.679 CB 1.551 30 residues pruned to eliminate duplicates Z: 6 9.747 2.301 0.167 0.717 0.800 0.600 CB 1.668 6 residues pruned to eliminate duplicates Z: 113 74.480 2.274 1.062 0.542 0.929 0.643 CB 1.552 113 residues pruned to eliminate duplicates Z: 17 24.408 2.032 0.500 0.871 0.938 0.750 CB 1.557 17 residues pruned to eliminate duplicates Z: 33 25.287 2.008 0.866 0.511 0.906 0.688 CB 1.303 33 residues pruned to eliminate duplicates Z: 143 77.413 2.252 0.863 0.555 0.937 0.655 CB 1.567 143 residues pruned to eliminate duplicates Z: 58 70.348 2.470 1.034 0.621 0.947 0.684 CB 1.746 58 residues pruned to eliminate duplicates Z: 42 44.658 2.251 0.779 0.642 0.927 0.756 CB 1.644 42 residues pruned to eliminate duplicates Z: 17 31.184 2.038 0.758 0.879 1.000 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 22 43.893 2.291 0.898 0.935 1.000 0.857 CB 1.535 22 residues pruned to eliminate duplicates Z: 36 24.419 1.929 0.865 0.511 0.914 0.657 CB 1.242 36 residues pruned to eliminate duplicates Z: 55 62.108 2.471 0.879 0.636 0.926 0.685 CB 1.730 55 residues pruned to eliminate duplicates Z: 22 49.712 2.330 1.034 0.950 1.000 0.905 CB 1.578 22 residues pruned to eliminate duplicates Z: 44 46.779 2.229 0.872 0.649 0.930 0.767 CB 1.600 44 residues pruned to eliminate duplicates Z: 47 53.462 2.233 0.731 0.734 0.978 0.783 CB 1.689 47 residues pruned to eliminate duplicates Z: 22 44.472 2.321 0.913 0.921 1.000 0.762 CB 1.538 22 residues pruned to eliminate duplicates Z: 22 49.581 2.337 1.056 0.941 1.000 0.905 CB 1.563 22 residues pruned to eliminate duplicates Z: 60 50.437 2.281 1.057 0.503 0.898 0.627 CB 1.553 60 residues pruned to eliminate duplicates Z: 8 9.654 1.835 0.064 0.776 1.000 0.857 CA 1.463 8 residues pruned to eliminate duplicates Z: 11 24.949 2.239 1.077 0.696 0.900 0.800 CA 1.577 11 residues pruned to eliminate duplicates Z: 113 76.920 2.318 1.020 0.564 0.920 0.634 CB 1.586 113 residues pruned to eliminate duplicates Z: 53 39.610 2.148 0.922 0.498 0.904 0.615 CB 1.475 53 residues pruned to eliminate duplicates Z: 20 66.190 2.546 1.333 0.953 1.000 0.947 CB 1.759 20 residues pruned to eliminate duplicates Z: 25 31.791 2.230 0.761 0.535 0.958 0.583 CB 1.666 25 residues pruned to eliminate duplicates Z: 84 76.242 2.370 0.942 0.625 0.952 0.771 CB 1.698 84 residues pruned to eliminate duplicates Z: 22 28.738 2.112 0.320 0.931 1.000 1.000 CB 1.572 22 residues pruned to eliminate duplicates Z: 42 47.749 2.398 1.098 0.521 0.927 0.707 CB 1.567 42 residues pruned to eliminate duplicates Z: 7 6.407 1.790 0.113 0.739 0.833 0.500 CB 1.272 7 residues pruned to eliminate duplicates Z: 100 92.826 2.490 1.107 0.589 0.929 0.697 CB 1.757 100 residues pruned to eliminate duplicates Z: 29 37.277 2.248 0.901 0.579 0.964 0.714 CB 1.584 29 residues pruned to eliminate duplicates Z: 21 50.092 2.459 1.028 0.918 1.000 0.850 CB 1.584 21 residues pruned to eliminate duplicates Z: 40 48.308 2.348 1.125 0.524 0.923 0.718 CB 1.640 40 residues pruned to eliminate duplicates Z: 82 82.792 2.408 1.053 0.644 0.951 0.716 CB 1.710 84 residues pruned to eliminate duplicates Z: 22 36.659 2.094 0.760 0.903 1.000 0.905 CB 1.547 22 residues pruned to eliminate duplicates Z: 25 33.566 2.241 0.863 0.504 0.958 0.667 CB 1.706 25 residues pruned to eliminate duplicates Z: 86 70.210 2.322 0.885 0.606 0.953 0.671 CB 1.651 86 residues pruned to eliminate duplicates Z: 7 17.774 1.942 0.895 0.863 1.000 0.833 CB 1.446 7 residues pruned to eliminate duplicates Z: 27 22.791 2.001 0.762 0.574 0.885 0.577 CB 1.334 27 residues pruned to eliminate duplicates Z: 106 66.538 2.179 0.949 0.608 0.933 0.686 CB 1.478 106 residues pruned to eliminate duplicates Z: 6 12.697 2.196 0.424 0.781 1.000 0.400 CA 1.417 6 residues pruned to eliminate duplicates Z: 32 66.905 2.575 1.084 0.772 1.000 0.839 CB 1.760 32 residues pruned to eliminate duplicates Z: 100 90.701 2.489 1.080 0.598 0.929 0.687 CB 1.725 100 residues pruned to eliminate duplicates Z: 60 57.515 2.256 0.941 0.637 0.932 0.627 CB 1.613 60 residues pruned to eliminate duplicates Z: 21 32.036 2.176 0.412 0.903 1.000 0.900 CB 1.661 21 residues pruned to eliminate duplicates Z: 19 21.171 1.893 0.469 0.876 0.944 0.833 CB 1.381 19 residues pruned to eliminate duplicates Z: 29 36.752 2.133 0.697 0.700 0.964 0.821 CB 1.659 29 residues pruned to eliminate duplicates Z: 17 28.258 2.016 0.733 0.920 0.938 0.625 CB 1.520 17 residues pruned to eliminate duplicates Z: 152 107.012 2.439 0.966 0.614 0.940 0.695 CB 1.733 152 residues pruned to eliminate duplicates Z: 17 28.696 1.991 0.678 0.864 1.000 0.750 CB 1.574 17 residues pruned to eliminate duplicates Z: 23 37.850 2.453 0.943 0.527 1.000 0.773 CB 1.648 23 residues pruned to eliminate duplicates Z: 17 17.337 2.084 0.903 0.507 0.875 0.750 CB 1.240 17 residues pruned to eliminate duplicates Z: 152 109.810 2.447 0.946 0.622 0.954 0.728 CB 1.754 152 residues pruned to eliminate duplicates Z: 18 23.069 1.910 0.701 0.911 0.882 0.765 CB 1.384 16 residues pruned to eliminate duplicates Z: 91 96.239 2.526 1.077 0.631 0.956 0.733 CB 1.789 91 residues pruned to eliminate duplicates Z: 32 48.005 2.403 1.192 0.529 0.968 0.677 CB 1.644 32 residues pruned to eliminate duplicates Z: 15 24.954 2.148 0.376 0.869 1.000 0.929 CB 1.649 15 residues pruned to eliminate duplicates Z: 53 40.362 2.157 0.919 0.541 0.904 0.673 CB 1.437 53 residues pruned to eliminate duplicates Z: 32 49.246 2.414 1.284 0.570 0.903 0.710 CB 1.660 32 residues pruned to eliminate duplicates Z: 64 47.920 2.145 1.032 0.570 0.921 0.730 CB 1.406 64 residues pruned to eliminate duplicates Z: 23 30.748 2.047 0.488 0.872 1.000 0.864 CB 1.569 23 residues pruned to eliminate duplicates Z: 61 49.305 2.298 1.002 0.495 0.867 0.600 CB 1.605 61 residues pruned to eliminate duplicates Z: 22 55.709 2.349 1.236 0.928 1.000 0.905 CB 1.622 22 residues pruned to eliminate duplicates Z: 152 108.340 2.437 0.971 0.621 0.954 0.715 CB 1.718 152 residues pruned to eliminate duplicates Z: 27 30.104 2.120 0.788 0.529 0.923 0.615 CB 1.640 27 residues pruned to eliminate duplicates Z: 21 66.553 2.498 1.403 0.961 1.000 0.900 CB 1.698 21 residues pruned to eliminate duplicates Z: 17 34.728 2.244 1.117 0.623 0.938 0.750 CA 1.735 17 residues pruned to eliminate duplicates Z: 59 51.958 2.341 0.945 0.503 0.914 0.672 CB 1.634 59 residues pruned to eliminate duplicates Z: 8 19.385 1.777 1.049 0.835 1.000 0.714 CA 1.508 8 residues pruned to eliminate duplicates Z: 68 55.606 2.223 0.850 0.584 0.925 0.776 CB 1.648 68 residues pruned to eliminate duplicates Z: 53 36.009 2.084 0.895 0.507 0.904 0.673 CB 1.389 53 residues pruned to eliminate duplicates Z: 71 68.253 2.430 1.040 0.590 0.900 0.686 CB 1.678 71 residues pruned to eliminate duplicates Z: 67 73.509 2.510 0.938 0.607 0.939 0.712 CB 1.789 67 residues pruned to eliminate duplicates Z: 21 52.466 2.362 1.087 0.934 1.000 0.750 CB 1.659 21 residues pruned to eliminate duplicates Z: 85 74.856 2.355 0.998 0.619 0.929 0.810 CB 1.671 85 residues pruned to eliminate duplicates Z: 30 34.730 2.181 0.537 0.707 1.000 0.793 CB 1.594 30 residues pruned to eliminate duplicates Z: 13 37.030 2.084 1.227 0.902 1.000 1.000 CB 1.643 13 residues pruned to eliminate duplicates Z: 93 80.111 2.359 1.068 0.607 0.946 0.707 CB 1.636 93 residues pruned to eliminate duplicates Z: 113 68.740 2.293 0.862 0.559 0.911 0.643 CB 1.577 113 residues pruned to eliminate duplicates Z: 28 32.100 2.269 0.927 0.526 0.889 0.778 CB 1.550 28 residues pruned to eliminate duplicates Z: 18 18.181 1.933 0.608 0.563 0.941 0.588 CB 1.419 18 residues pruned to eliminate duplicates Z: 69 74.344 2.497 0.936 0.598 0.956 0.647 CB 1.776 69 residues pruned to eliminate duplicates Z: 19 23.194 2.218 0.774 0.430 0.889 0.500 CB 1.680 19 residues pruned to eliminate duplicates Z: 59 48.881 2.223 0.870 0.593 0.931 0.655 CB 1.517 59 residues pruned to eliminate duplicates Z: 64 46.431 2.154 0.989 0.547 0.921 0.683 CB 1.416 64 residues pruned to eliminate duplicates Z: 69 69.528 2.494 0.820 0.607 0.941 0.676 CB 1.784 69 residues pruned to eliminate duplicates Z: 22 28.834 2.101 0.341 0.921 1.000 1.000 CB 1.572 22 residues pruned to eliminate duplicates Z: 53 50.015 2.387 0.991 0.486 0.885 0.635 CB 1.672 53 residues pruned to eliminate duplicates Z: 8 11.516 1.941 0.756 0.830 0.714 0.571 CA 1.345 8 residues pruned to eliminate duplicates Z: 23 35.703 2.105 0.620 0.928 1.000 0.909 CB 1.563 22 residues pruned to eliminate duplicates Z: 85 68.222 2.309 0.882 0.620 0.917 0.750 CB 1.668 85 residues pruned to eliminate duplicates Z: 16 16.117 1.662 0.587 0.887 1.000 0.733 CB 1.137 16 residues pruned to eliminate duplicates Z: 27 24.717 1.923 0.684 0.685 0.885 0.654 CB 1.428 27 residues pruned to eliminate duplicates Z: 86 64.985 2.362 0.910 0.534 0.906 0.635 CB 1.669 86 residues pruned to eliminate duplicates Z: 98 64.307 2.260 0.905 0.545 0.907 0.701 CB 1.600 98 residues pruned to eliminate duplicates Z: 7 10.519 1.646 1.157 0.760 1.000 1.000 CB 0.960 7 residues pruned to eliminate duplicates Z: 19 31.872 2.328 0.917 0.615 0.889 0.611 CB 1.699 19 residues pruned to eliminate duplicates Z: 32 42.711 2.244 0.962 0.700 0.935 0.742 CB 1.552 32 residues pruned to eliminate duplicates Z: 16 14.236 1.644 0.732 0.871 0.867 0.467 CB 1.086 16 residues pruned to eliminate duplicates Z: 17 26.243 2.041 0.520 0.910 1.000 0.938 CB 1.500 17 residues pruned to eliminate duplicates Z: 22 35.878 2.118 0.652 0.929 1.000 1.000 CB 1.566 22 residues pruned to eliminate duplicates Z: 16 26.143 2.086 0.505 0.904 1.000 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 71 72.144 2.411 1.109 0.586 0.929 0.657 CB 1.682 71 residues pruned to eliminate duplicates Z: 31 38.878 2.208 1.290 0.540 0.900 0.733 CB 1.500 31 residues pruned to eliminate duplicates Z: 29 37.791 2.144 0.658 0.728 1.000 0.821 CB 1.636 29 residues pruned to eliminate duplicates Z: 31 33.911 2.171 0.863 0.535 0.933 0.700 CB 1.585 31 residues pruned to eliminate duplicates Z: 6 8.584 1.581 0.461 0.853 1.000 0.800 C 1.229 6 residues pruned to eliminate duplicates Z: 103 80.686 2.405 0.986 0.579 0.922 0.676 CB 1.683 103 residues pruned to eliminate duplicates Z: 18 17.354 1.920 0.518 0.566 0.941 0.706 CB 1.440 18 residues pruned to eliminate duplicates Z: 7 10.923 1.884 0.989 0.593 0.833 0.500 CA 1.306 7 residues pruned to eliminate duplicates Z: 41 33.926 2.159 0.824 0.538 0.900 0.675 CB 1.458 41 residues pruned to eliminate duplicates Z: 100 91.561 2.500 1.068 0.599 0.919 0.646 CB 1.761 100 residues pruned to eliminate duplicates Z: 28 46.233 2.282 0.919 0.768 0.963 0.778 CB 1.663 28 residues pruned to eliminate duplicates Z: 108 95.591 2.509 1.114 0.588 0.944 0.710 CB 1.696 108 residues pruned to eliminate duplicates Z: 40 22.785 1.906 0.723 0.510 0.897 0.667 CB 1.225 40 residues pruned to eliminate duplicates Z: 7 5.523 1.957 0.590 0.455 0.667 0.500 CB 1.138 7 residues pruned to eliminate duplicates Z: 16 15.569 1.661 0.534 0.885 1.000 0.467 CB 1.140 16 residues pruned to eliminate duplicates Z: 113 75.848 2.305 0.928 0.558 0.946 0.705 CB 1.611 113 residues pruned to eliminate duplicates Z: 150 86.411 2.275 0.876 0.583 0.960 0.658 CB 1.597 150 residues pruned to eliminate duplicates Z: 6 5.762 1.939 -0.329 0.681 1.000 0.600 CB 1.675 Z: 22 33.646 2.082 0.861 0.927 0.905 0.762 CB 1.467 22 residues pruned to eliminate duplicates Z: 20 15.128 1.752 0.718 0.551 0.842 0.632 CB 1.303 20 residues pruned to eliminate duplicates Z: 17 17.833 2.089 0.858 0.510 0.812 0.688 CB 1.400 17 residues pruned to eliminate duplicates Z: 64 37.372 2.122 0.836 0.493 0.889 0.619 CB 1.370 64 residues pruned to eliminate duplicates Z: 22 36.029 2.156 0.703 0.914 1.000 0.952 CB 1.514 22 residues pruned to eliminate duplicates Z: 65 42.294 2.115 0.902 0.504 0.938 0.594 CB 1.396 65 residues pruned to eliminate duplicates Z: 8 8.723 1.931 0.727 0.452 0.714 0.429 CA 1.454 8 residues pruned to eliminate duplicates Z: 72 64.042 2.339 0.931 0.600 0.915 0.746 CB 1.671 72 residues pruned to eliminate duplicates Z: 47 45.044 2.243 0.683 0.661 0.891 0.804 CB 1.700 47 residues pruned to eliminate duplicates Z: 22 47.084 2.327 1.018 0.925 1.000 0.905 CB 1.536 22 residues pruned to eliminate duplicates Z: 113 78.163 2.280 1.017 0.576 0.946 0.634 CB 1.578 113 residues pruned to eliminate duplicates Z: 54 47.320 2.245 1.001 0.493 0.887 0.642 CB 1.643 54 residues pruned to eliminate duplicates Z: 9 9.274 1.907 0.690 0.502 0.875 0.750 CB 1.161 9 residues pruned to eliminate duplicates Z: 13 26.157 2.190 0.549 0.878 1.000 0.917 CB 1.616 13 residues pruned to eliminate duplicates Z: 60 53.311 2.256 1.009 0.614 0.881 0.627 CB 1.560 60 residues pruned to eliminate duplicates Z: 6 4.632 1.839 -0.149 0.803 1.000 1.000 CB 1.016 Z: 6 7.215 1.813 0.365 0.831 1.000 0.800 CB 0.979 Z: 51 38.237 2.120 0.936 0.519 0.920 0.720 CB 1.406 51 residues pruned to eliminate duplicates Z: 17 16.087 1.628 0.582 0.893 1.000 0.625 CB 1.121 17 residues pruned to eliminate duplicates Z: 29 26.913 2.061 0.582 0.679 0.893 0.786 CB 1.481 29 residues pruned to eliminate duplicates Z: 70 74.944 2.493 1.082 0.590 0.928 0.696 CB 1.719 70 residues pruned to eliminate duplicates Z: 24 47.444 2.365 1.099 0.619 1.000 0.739 CB 1.781 24 residues pruned to eliminate duplicates Z: 105 66.595 2.252 1.023 0.517 0.923 0.615 CB 1.527 105 residues pruned to eliminate duplicates Z: 22 54.052 2.329 1.248 0.943 1.000 0.810 CB 1.561 22 residues pruned to eliminate duplicates Z: 79 57.711 2.244 1.077 0.531 0.923 0.654 CB 1.473 79 residues pruned to eliminate duplicates Z: 12 28.963 2.112 0.837 0.897 1.000 0.818 CA 1.611 12 residues pruned to eliminate duplicates Z: 32 33.562 2.196 0.907 0.602 0.903 0.677 CB 1.446 32 residues pruned to eliminate duplicates Z: 34 32.494 2.073 0.871 0.612 0.970 0.727 CB 1.352 34 residues pruned to eliminate duplicates Z: 106 62.613 2.177 0.872 0.581 0.924 0.629 CB 1.502 106 residues pruned to eliminate duplicates Z: 28 39.219 2.188 0.682 0.740 1.000 0.815 CB 1.654 28 residues pruned to eliminate duplicates Z: 9 7.284 1.303 0.698 0.784 1.000 0.875 N 0.906 9 residues pruned to eliminate duplicates Z: 11 13.250 1.696 0.923 0.598 1.000 0.500 CB 1.170 Z: 50 36.550 2.151 0.786 0.536 0.898 0.633 CB 1.461 50 residues pruned to eliminate duplicates Z: 12 17.015 2.135 0.763 0.643 0.909 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 93 67.767 2.236 0.973 0.593 0.946 0.652 CB 1.550 93 residues pruned to eliminate duplicates Z: 27 41.623 2.385 1.252 0.583 0.923 0.731 CB 1.520 27 residues pruned to eliminate duplicates Z: 64 41.593 2.102 0.887 0.567 0.905 0.667 CB 1.368 64 residues pruned to eliminate duplicates Z: 8 4.290 1.933 0.031 0.545 0.857 0.714 CB 0.908 Z: 21 35.600 2.121 0.638 0.938 1.000 1.000 CB 1.593 21 residues pruned to eliminate duplicates Z: 7 7.185 1.732 0.035 0.722 1.000 1.000 CA 1.339 7 residues pruned to eliminate duplicates Z: 40 35.048 2.145 0.931 0.532 0.897 0.744 CB 1.463 40 residues pruned to eliminate duplicates Z: 18 22.753 2.093 0.777 0.592 0.941 0.647 CB 1.443 18 residues pruned to eliminate duplicates Z: 24 46.161 2.382 1.256 0.583 0.957 0.783 CB 1.729 24 residues pruned to eliminate duplicates Z: 84 79.834 2.379 1.012 0.650 0.940 0.759 CB 1.695 84 residues pruned to eliminate duplicates Z: 79 81.019 2.495 1.022 0.623 0.949 0.679 CB 1.707 79 residues pruned to eliminate duplicates Z: 25 23.394 1.939 0.880 0.513 0.833 0.583 CB 1.551 25 residues pruned to eliminate duplicates Z: 83 80.848 2.491 0.999 0.605 0.939 0.610 CB 1.727 83 residues pruned to eliminate duplicates Z: 12 30.165 2.108 0.915 0.913 1.000 0.818 CB 1.594 12 residues pruned to eliminate duplicates Z: 17 15.363 1.634 0.568 0.875 1.000 0.750 CB 1.091 17 residues pruned to eliminate duplicates Z: 25 31.498 2.244 0.916 0.502 0.917 0.542 CB 1.629 25 residues pruned to eliminate duplicates Z: 9 9.635 1.730 0.709 0.757 0.750 0.375 CB 1.222 9 residues pruned to eliminate duplicates Z: 13 14.113 2.054 0.482 0.561 0.833 0.750 CB 1.514 13 residues pruned to eliminate duplicates Z: 26 22.205 2.011 0.842 0.549 0.840 0.560 CB 1.360 26 residues pruned to eliminate duplicates Z: 113 75.297 2.286 0.976 0.558 0.946 0.652 CB 1.573 113 residues pruned to eliminate duplicates Z: 32 24.614 2.031 0.767 0.519 0.903 0.677 CB 1.338 32 residues pruned to eliminate duplicates Z: 29 29.485 2.119 0.558 0.614 0.964 0.750 CB 1.570 29 residues pruned to eliminate duplicates Z: 8 3.734 1.635 -0.013 0.545 0.857 0.429 CB 0.976 Z: 22 34.763 2.140 0.597 0.920 1.000 1.000 CB 1.563 22 residues pruned to eliminate duplicates Z: 18 21.616 1.924 0.385 0.882 1.000 0.882 CB 1.423 18 residues pruned to eliminate duplicates Z: 29 16.003 1.940 0.633 0.367 0.821 0.429 CB 1.340 29 residues pruned to eliminate duplicates Z: 18 20.064 1.939 0.694 0.587 0.941 0.588 CB 1.448 18 residues pruned to eliminate duplicates Z: 63 42.801 2.153 0.878 0.530 0.919 0.726 CB 1.420 63 residues pruned to eliminate duplicates Z: 64 44.316 2.123 1.001 0.545 0.889 0.667 CB 1.415 64 residues pruned to eliminate duplicates Z: 6 16.150 2.166 1.242 0.791 0.800 0.800 CA 1.440 6 residues pruned to eliminate duplicates Z: 10 15.108 1.852 0.906 0.537 1.000 0.556 CA 1.376 10 residues pruned to eliminate duplicates Z: 6 5.872 1.663 -0.013 0.812 1.000 1.000 CA 1.219 6 residues pruned to eliminate duplicates Z: 19 26.240 1.922 0.579 0.834 1.000 0.833 CB 1.527 19 residues pruned to eliminate duplicates Z: 123 79.469 2.284 0.924 0.582 0.934 0.697 CB 1.619 123 residues pruned to eliminate duplicates Z: 73 75.033 2.481 0.963 0.605 0.944 0.722 CB 1.739 73 residues pruned to eliminate duplicates Z: 16 11.873 1.623 0.401 0.874 1.000 0.600 CB 0.982 16 residues pruned to eliminate duplicates Z: 65 62.535 2.393 1.120 0.546 0.906 0.672 CB 1.625 65 residues pruned to eliminate duplicates Z: 83 69.879 2.343 0.908 0.597 0.939 0.756 CB 1.676 83 residues pruned to eliminate duplicates Z: 28 39.188 2.197 0.681 0.727 1.000 0.889 CB 1.665 28 residues pruned to eliminate duplicates Z: 43 53.360 2.446 0.978 0.600 0.929 0.690 CB 1.666 43 residues pruned to eliminate duplicates Z: 111 75.381 2.280 1.019 0.558 0.909 0.645 CB 1.624 111 residues pruned to eliminate duplicates Z: 17 24.531 2.282 0.929 0.631 0.875 0.750 CB 1.407 17 residues pruned to eliminate duplicates Z: 16 58.478 2.474 1.558 0.788 1.000 1.000 CB 1.853 16 residues pruned to eliminate duplicates Z: 152 102.477 2.436 0.869 0.614 0.947 0.689 CB 1.736 152 residues pruned to eliminate duplicates Z: 29 37.954 2.120 0.674 0.724 1.000 0.750 CB 1.651 29 residues pruned to eliminate duplicates Z: 25 30.906 2.173 0.826 0.544 0.917 0.667 CB 1.661 25 residues pruned to eliminate duplicates Z: 58 46.554 2.284 0.970 0.494 0.877 0.614 CB 1.572 58 residues pruned to eliminate duplicates Z: 16 51.553 2.488 1.464 0.717 1.000 0.933 CB 1.784 16 residues pruned to eliminate duplicates Z: 117 85.330 2.382 0.929 0.576 0.922 0.707 CB 1.737 117 residues pruned to eliminate duplicates Z: 32 27.046 2.116 0.779 0.449 0.903 0.613 CB 1.505 32 residues pruned to eliminate duplicates Z: 9 4.695 1.518 0.166 0.469 0.875 0.500 O 1.106 Z: 22 65.259 2.594 1.306 0.943 1.000 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 12 40.702 2.314 1.059 0.903 1.000 0.727 CA 1.836 12 residues pruned to eliminate duplicates Z: 6 4.179 1.556 0.154 0.741 0.800 0.600 CB 1.048 6 residues pruned to eliminate duplicates Z: 18 16.310 1.942 0.479 0.536 0.941 0.588 CB 1.412 18 residues pruned to eliminate duplicates Z: 29 33.208 2.036 0.967 0.530 0.964 0.750 CB 1.578 29 residues pruned to eliminate duplicates Z: 70 75.462 2.480 1.072 0.593 0.928 0.638 CB 1.744 70 residues pruned to eliminate duplicates Z: 9 3.152 1.756 -0.060 0.601 1.000 0.750 CB 0.613 8 residues pruned to eliminate duplicates Z: 113 80.342 2.298 1.053 0.581 0.938 0.670 CB 1.588 113 residues pruned to eliminate duplicates Z: 28 17.297 2.029 0.750 0.348 0.852 0.593 CB 1.298 28 residues pruned to eliminate duplicates Z: 13 15.281 2.015 0.475 0.590 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 64 41.744 2.127 0.961 0.515 0.873 0.651 CB 1.423 64 residues pruned to eliminate duplicates Z: 150 101.547 2.415 0.876 0.628 0.953 0.725 CB 1.708 150 residues pruned to eliminate duplicates Z: 205 114.656 2.345 1.036 0.573 0.936 0.672 CB 1.674 153 residues pruned to eliminate duplicates Z: 9 22.122 2.331 1.089 0.602 1.000 0.875 CB 1.457 Z: 23 35.279 2.285 0.895 0.581 0.909 0.545 CB 1.768 23 residues pruned to eliminate duplicates Z: 6 5.558 1.721 -0.028 0.742 1.000 0.600 CB 1.198 7 residues pruned to eliminate duplicates Z: 9 19.881 2.093 1.215 0.520 1.000 0.625 CB 1.486 9 residues pruned to eliminate duplicates Z: 69 58.445 2.285 1.040 0.514 0.926 0.647 CB 1.619 69 residues pruned to eliminate duplicates Z: 26 19.277 1.844 0.692 0.662 0.920 0.640 CB 1.156 25 residues pruned to eliminate duplicates Z: 9 3.239 1.203 0.774 0.355 0.875 0.375 CB 0.717 9 residues pruned to eliminate duplicates Z: 24 35.227 2.072 0.650 0.846 0.957 0.826 CB 1.669 24 residues pruned to eliminate duplicates Z: 53 40.192 2.084 0.938 0.552 0.923 0.673 CB 1.422 53 residues pruned to eliminate duplicates Z: 17 15.590 1.639 0.496 0.904 1.000 0.812 CB 1.132 17 residues pruned to eliminate duplicates Z: 152 107.293 2.426 0.984 0.609 0.954 0.709 CB 1.715 152 residues pruned to eliminate duplicates Z: 39 52.935 2.413 1.367 0.566 0.921 0.737 CB 1.531 39 residues pruned to eliminate duplicates Z: 8 2.790 1.583 0.610 0.292 0.571 0.571 CB 0.915 8 residues pruned to eliminate duplicates Z: 6 8.222 1.644 0.423 0.655 1.000 0.600 CB 1.361 6 residues pruned to eliminate duplicates Z: 6 10.038 2.342 -0.150 0.759 1.000 1.000 CA 1.793 6 residues pruned to eliminate duplicates Z: 55 51.208 2.303 0.988 0.515 0.926 0.741 CB 1.619 55 residues pruned to eliminate duplicates Z: 10 4.142 1.673 0.582 0.403 0.778 0.333 N 0.743 Z: 39 31.476 2.136 0.751 0.521 0.921 0.737 CB 1.452 39 residues pruned to eliminate duplicates Z: 9 7.688 1.672 0.522 0.545 0.875 0.625 CB 1.168 9 residues pruned to eliminate duplicates Z: 17 13.668 1.641 0.327 0.891 1.000 0.750 CB 1.128 17 residues pruned to eliminate duplicates Z: 28 36.240 2.178 0.565 0.760 1.000 0.852 CB 1.624 28 residues pruned to eliminate duplicates Z: 48 50.786 2.233 1.005 0.632 0.936 0.638 CB 1.562 48 residues pruned to eliminate duplicates Z: 7 7.327 1.701 0.242 0.654 0.833 0.667 CA 1.472 7 residues pruned to eliminate duplicates Z: 33 44.800 2.174 0.616 0.761 1.000 0.812 CB 1.787 33 residues pruned to eliminate duplicates Z: 57 43.796 2.164 1.086 0.520 0.893 0.804 CB 1.424 57 residues pruned to eliminate duplicates Z: 49 37.996 2.075 0.812 0.554 0.958 0.646 CB 1.445 49 residues pruned to eliminate duplicates Z: 16 14.347 1.681 0.394 0.879 1.000 0.600 CB 1.146 16 residues pruned to eliminate duplicates Z: 32 23.441 1.984 0.776 0.571 0.903 0.710 CB 1.235 32 residues pruned to eliminate duplicates Z: 13 9.545 1.653 0.386 0.637 0.917 0.833 CB 1.154 Z: 45 63.092 2.502 1.026 0.642 0.955 0.727 CB 1.722 9 residues pruned to eliminate duplicates Z: 6 4.759 1.686 -0.201 0.805 1.000 1.000 CA 1.210 6 residues pruned to eliminate duplicates Z: 40 34.630 2.135 0.879 0.558 0.897 0.692 CB 1.456 40 residues pruned to eliminate duplicates Z: 7 3.217 1.547 0.193 0.468 0.667 0.333 CB 1.103 7 residues pruned to eliminate duplicates Z: 8 6.301 1.904 1.029 0.757 1.000 1.000 CB 0.491 Z: 25 33.326 2.133 0.651 0.739 0.917 0.833 CB 1.701 25 residues pruned to eliminate duplicates Z: 17 14.904 1.640 0.459 0.909 1.000 0.875 CB 1.106 17 residues pruned to eliminate duplicates Z: 55 64.287 2.475 0.960 0.629 0.944 0.704 CB 1.692 100 residues pruned to eliminate duplicates Z: 51 40.046 2.136 0.855 0.592 0.900 0.700 CB 1.454 51 residues pruned to eliminate duplicates Z: 113 72.655 2.280 1.019 0.537 0.911 0.705 CB 1.580 113 residues pruned to eliminate duplicates Z: 106 66.916 2.200 0.862 0.587 0.952 0.733 CB 1.539 106 residues pruned to eliminate duplicates Z: 87 65.996 2.319 0.859 0.587 0.930 0.698 CB 1.631 87 residues pruned to eliminate duplicates Z: 17 28.367 2.000 0.632 0.900 1.000 0.875 CB 1.552 17 residues pruned to eliminate duplicates Z: 19 28.633 2.196 0.861 0.537 0.944 0.667 CB 1.687 19 residues pruned to eliminate duplicates Z: 60 53.047 2.294 0.986 0.508 0.932 0.610 CB 1.613 60 residues pruned to eliminate duplicates Z: 44 64.798 2.491 1.083 0.645 0.977 0.767 CB 1.703 Z: 16 14.957 1.670 0.454 0.894 1.000 0.800 CB 1.141 16 residues pruned to eliminate duplicates Z: 6 3.385 1.502 0.490 0.666 0.800 0.800 CB 0.725 Z: 20 32.154 2.256 0.972 0.537 0.947 0.684 CB 1.688 20 residues pruned to eliminate duplicates Z: 8 19.413 1.991 1.005 0.572 1.000 0.714 C 1.715 8 residues pruned to eliminate duplicates Z: 19 40.207 2.297 1.046 0.800 0.944 0.833 CB 1.642 19 residues pruned to eliminate duplicates Z: 8 2.585 1.828 0.178 0.220 0.714 0.571 CB 0.882 Z: 64 46.438 2.132 1.013 0.558 0.905 0.683 CB 1.425 64 residues pruned to eliminate duplicates Z: 85 70.632 2.303 0.999 0.611 0.905 0.774 CB 1.665 85 residues pruned to eliminate duplicates Z: 10 19.525 2.030 0.908 0.587 1.000 0.778 CA 1.546 10 residues pruned to eliminate duplicates Z: 6 7.906 1.974 0.829 0.668 1.000 0.800 CB 0.839 6 residues pruned to eliminate duplicates Z: 8 5.292 1.854 0.478 0.489 0.714 0.714 CB 1.033 8 residues pruned to eliminate duplicates Z: 7 2.875 1.657 0.372 0.278 0.667 0.500 CB 0.996 Z: 22 33.738 2.160 0.598 0.722 1.000 0.857 CA 1.746 22 residues pruned to eliminate duplicates Z: 10 29.081 2.362 1.285 0.865 1.000 0.667 CB 1.316 10 residues pruned to eliminate duplicates Z: 41 43.085 2.233 0.897 0.613 0.925 0.725 CB 1.562 41 residues pruned to eliminate duplicates Z: 22 32.995 2.276 0.823 0.561 0.952 0.667 CB 1.718 22 residues pruned to eliminate duplicates Z: 69 46.305 2.119 0.920 0.548 0.926 0.647 CB 1.421 69 residues pruned to eliminate duplicates Z: 19 31.730 2.281 0.855 0.562 1.000 0.611 CB 1.665 19 residues pruned to eliminate duplicates Z: 25 21.687 2.044 0.911 0.546 0.875 0.708 CB 1.239 25 residues pruned to eliminate duplicates Z: 14 23.568 2.286 0.909 0.486 1.000 0.846 CB 1.520 14 residues pruned to eliminate duplicates Z: 22 36.716 2.088 0.864 0.918 1.000 0.857 CB 1.453 22 residues pruned to eliminate duplicates Z: 14 24.869 2.197 0.853 0.505 1.000 0.538 CB 1.685 14 residues pruned to eliminate duplicates Z: 12 6.397 1.738 0.100 0.546 0.818 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 75 72.600 2.391 0.959 0.594 0.946 0.757 CB 1.741 75 residues pruned to eliminate duplicates Z: 8 6.705 1.433 0.441 0.835 1.000 0.571 CA 0.919 8 residues pruned to eliminate duplicates Z: 24 33.686 2.037 0.631 0.910 1.000 0.913 CB 1.500 24 residues pruned to eliminate duplicates Z: 30 41.783 2.310 0.976 0.568 0.931 0.655 CB 1.709 30 residues pruned to eliminate duplicates Z: 7 10.207 2.018 0.393 0.753 0.833 0.667 CA 1.420 7 residues pruned to eliminate duplicates Z: 13 5.230 1.683 -0.006 0.413 0.917 0.583 CB 1.078 13 residues pruned to eliminate duplicates Z: 24 40.933 2.465 0.364 0.945 1.000 1.000 CB 1.757 18 residues pruned to eliminate duplicates Z: 57 41.283 2.209 0.977 0.485 0.857 0.643 CB 1.496 57 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 106 63.157 2.203 0.807 0.580 0.933 0.667 CB 1.536 106 residues pruned to eliminate duplicates Z: 105 64.539 2.214 0.811 0.592 0.933 0.673 CB 1.550 105 residues pruned to eliminate duplicates Z: 94 66.886 2.226 0.886 0.606 0.946 0.720 CB 1.578 94 residues pruned to eliminate duplicates Z: 21 46.766 2.366 0.789 0.944 1.000 1.000 CB 1.711 21 residues pruned to eliminate duplicates Z: 31 35.863 2.190 0.678 0.680 0.900 0.733 CB 1.678 31 residues pruned to eliminate duplicates Z: 29 42.505 2.238 0.844 0.741 0.964 0.821 CB 1.627 29 residues pruned to eliminate duplicates Z: 75 61.497 2.253 0.870 0.614 0.946 0.662 CB 1.610 75 residues pruned to eliminate duplicates Z: 84 65.500 2.238 0.917 0.598 0.964 0.663 CB 1.583 83 residues pruned to eliminate duplicates Z: 22 46.680 2.350 0.893 0.931 1.000 0.952 CB 1.600 22 residues pruned to eliminate duplicates Z: 106 63.998 2.204 0.826 0.583 0.943 0.657 CB 1.520 107 residues pruned to eliminate duplicates Z: 22 47.743 2.339 0.971 0.941 1.000 0.857 CB 1.569 22 residues pruned to eliminate duplicates Z: 40 52.957 2.311 0.932 0.642 0.974 0.641 CB 1.706 40 residues pruned to eliminate duplicates Z: 43 56.290 2.286 0.943 0.685 1.000 0.690 CB 1.650 43 residues pruned to eliminate duplicates Z: 94 70.006 2.235 0.952 0.597 0.957 0.667 CB 1.585 94 residues pruned to eliminate duplicates Z: 22 51.772 2.331 1.145 0.948 1.000 0.857 CB 1.561 22 residues pruned to eliminate duplicates Z: 106 67.420 2.200 0.931 0.595 0.943 0.676 CB 1.500 106 residues pruned to eliminate duplicates Z: 106 61.664 2.172 0.864 0.555 0.933 0.667 CB 1.509 107 residues pruned to eliminate duplicates Z: 20 58.952 2.448 1.053 0.951 1.000 0.947 CB 1.854 20 residues pruned to eliminate duplicates Z: 107 66.159 2.177 0.892 0.580 0.953 0.623 CB 1.517 107 residues pruned to eliminate duplicates Z: 106 67.407 2.201 0.913 0.599 0.943 0.686 CB 1.508 106 residues pruned to eliminate duplicates Z: 106 65.835 2.188 0.919 0.572 0.943 0.686 CB 1.514 106 residues pruned to eliminate duplicates Z: 24 49.038 2.316 1.163 0.838 0.913 0.826 CB 1.671 24 residues pruned to eliminate duplicates Z: 106 67.671 2.206 0.954 0.599 0.914 0.695 CB 1.525 106 residues pruned to eliminate duplicates Z: 106 65.508 2.197 0.922 0.580 0.924 0.657 CB 1.517 106 residues pruned to eliminate duplicates Z: 29 40.820 2.264 0.901 0.717 0.929 0.750 CB 1.586 29 residues pruned to eliminate duplicates Z: 44 46.702 2.228 0.788 0.649 0.930 0.581 CB 1.673 44 residues pruned to eliminate duplicates Z: 43 52.135 2.260 0.901 0.660 0.976 0.690 CB 1.654 42 residues pruned to eliminate duplicates Z: 6 5.248 1.827 0.525 0.320 0.800 0.800 CA 1.284 6 residues pruned to eliminate duplicates Z: 59 54.822 2.217 0.970 0.620 0.966 0.672 CB 1.525 59 residues pruned to eliminate duplicates Z: 106 69.549 2.198 0.954 0.594 0.952 0.629 CB 1.517 106 residues pruned to eliminate duplicates Z: 19 25.060 2.200 0.911 0.407 0.944 0.444 CB 1.640 19 residues pruned to eliminate duplicates Z: 44 50.333 2.250 0.916 0.645 0.953 0.698 CB 1.631 44 residues pruned to eliminate duplicates Z: 6 6.020 1.862 0.796 0.229 0.800 0.600 CA 1.380 6 residues pruned to eliminate duplicates Z: 107 63.980 2.180 0.869 0.581 0.943 0.651 CB 1.495 107 residues pruned to eliminate duplicates Z: 45 52.233 2.245 0.938 0.649 0.977 0.682 CB 1.611 45 residues pruned to eliminate duplicates Z: 79 52.178 2.184 0.901 0.514 0.936 0.564 CB 1.498 79 residues pruned to eliminate duplicates Z: 106 68.241 2.200 0.907 0.604 0.943 0.724 CB 1.525 106 residues pruned to eliminate duplicates Z: 81 52.601 2.174 0.918 0.514 0.925 0.600 CB 1.504 81 residues pruned to eliminate duplicates Z: 73 64.055 2.260 0.941 0.617 0.972 0.708 CB 1.584 73 residues pruned to eliminate duplicates Z: 51 45.754 2.230 0.976 0.511 0.940 0.620 CB 1.545 51 residues pruned to eliminate duplicates Z: 81 52.258 2.174 0.887 0.521 0.938 0.613 CB 1.488 81 residues pruned to eliminate duplicates Z: 45 51.052 2.247 0.919 0.667 0.955 0.682 CB 1.602 45 residues pruned to eliminate duplicates 6 1.478 1.594 0.177 0.250 0.600 0.400 CB 0.783 ? Z: 63 41.705 2.096 0.825 0.534 0.935 0.629 CB 1.431 63 residues pruned to eliminate duplicates Z: 61 44.877 2.151 0.887 0.549 0.933 0.617 CB 1.458 61 residues pruned to eliminate duplicates Z: 64 43.207 2.143 0.950 0.517 0.921 0.651 CB 1.391 64 residues pruned to eliminate duplicates Z: 68 43.705 2.100 0.909 0.531 0.925 0.597 CB 1.396 68 residues pruned to eliminate duplicates Z: 62 46.092 2.177 0.897 0.581 0.918 0.705 CB 1.441 62 residues pruned to eliminate duplicates Z: 64 44.968 2.137 0.968 0.537 0.921 0.635 CB 1.411 64 residues pruned to eliminate duplicates Z: 64 44.679 2.123 0.981 0.550 0.889 0.683 CB 1.434 64 residues pruned to eliminate duplicates Z: 14 25.924 2.232 1.264 0.625 0.923 0.692 CB 1.370 14 residues pruned to eliminate duplicates Z: 16 21.180 2.125 1.331 0.530 0.867 0.667 CB 1.237 16 residues pruned to eliminate duplicates Z: 64 45.495 2.127 0.950 0.558 0.921 0.683 CB 1.419 64 residues pruned to eliminate duplicates Z: 17 19.788 2.080 1.198 0.477 0.812 0.688 CB 1.363 17 residues pruned to eliminate duplicates Z: 63 51.900 2.155 1.062 0.584 0.935 0.661 CB 1.463 63 residues pruned to eliminate duplicates Z: 32 39.956 2.197 1.198 0.590 0.903 0.677 CB 1.509 32 residues pruned to eliminate duplicates Z: 64 47.865 2.123 1.001 0.559 0.937 0.698 CB 1.431 64 residues pruned to eliminate duplicates Z: 65 44.578 2.133 0.909 0.532 0.922 0.688 CB 1.438 65 residues pruned to eliminate duplicates Z: 66 45.121 2.105 0.931 0.547 0.938 0.662 CB 1.401 66 residues pruned to eliminate duplicates Z: 63 46.356 2.169 1.029 0.559 0.887 0.694 CB 1.424 63 residues pruned to eliminate duplicates Z: 66 42.277 2.114 0.824 0.533 0.938 0.631 CB 1.402 66 residues pruned to eliminate duplicates Z: 38 43.809 2.192 1.111 0.594 0.919 0.757 CB 1.548 38 residues pruned to eliminate duplicates Z: 65 40.203 2.083 0.864 0.539 0.891 0.703 CB 1.398 65 residues pruned to eliminate duplicates Z: 51 42.408 2.131 0.972 0.554 0.940 0.660 CB 1.440 51 residues pruned to eliminate duplicates Z: 62 45.208 2.165 0.999 0.552 0.902 0.689 CB 1.409 62 residues pruned to eliminate duplicates Z: 63 40.927 2.150 0.897 0.518 0.903 0.629 CB 1.386 63 residues pruned to eliminate duplicates Z: 19 34.800 2.269 1.332 0.612 0.889 0.667 CB 1.568 19 residues pruned to eliminate duplicates Z: 64 45.831 2.148 1.026 0.543 0.905 0.683 CB 1.406 64 residues pruned to eliminate duplicates Z: 64 36.194 2.113 0.771 0.478 0.921 0.603 CB 1.353 64 residues pruned to eliminate duplicates Z: 20 28.820 2.225 0.880 0.503 1.000 0.526 CB 1.576 20 residues pruned to eliminate duplicates Z: 64 40.198 2.143 0.827 0.518 0.905 0.635 CB 1.404 64 residues pruned to eliminate duplicates Z: 64 44.058 2.148 0.959 0.522 0.921 0.683 CB 1.402 64 residues pruned to eliminate duplicates Z: 50 45.281 2.144 0.994 0.584 0.939 0.776 CB 1.487 50 residues pruned to eliminate duplicates Z: 62 44.781 2.165 0.905 0.538 0.934 0.705 CB 1.432 62 residues pruned to eliminate duplicates Z: 50 36.006 2.093 0.934 0.484 0.898 0.694 CB 1.438 50 residues pruned to eliminate duplicates Z: 31 29.875 2.068 0.861 0.569 0.967 0.667 CB 1.372 31 residues pruned to eliminate duplicates Z: 35 22.328 1.985 0.766 0.478 0.882 0.618 CB 1.266 35 residues pruned to eliminate duplicates Z: 34 25.800 2.011 0.810 0.506 0.939 0.636 CB 1.306 34 residues pruned to eliminate duplicates Z: 63 48.751 2.181 0.951 0.557 0.935 0.694 CB 1.471 63 residues pruned to eliminate duplicates Z: 64 43.969 2.151 0.929 0.500 0.937 0.698 CB 1.425 64 residues pruned to eliminate duplicates Z: 52 38.957 2.138 0.868 0.516 0.922 0.627 CB 1.459 52 residues pruned to eliminate duplicates Z: 54 38.666 2.083 0.932 0.508 0.906 0.623 CB 1.446 54 residues pruned to eliminate duplicates Z: 52 38.526 2.121 0.912 0.528 0.902 0.686 CB 1.435 52 residues pruned to eliminate duplicates Z: 63 44.637 2.146 0.920 0.538 0.919 0.726 CB 1.442 63 residues pruned to eliminate duplicates Z: 33 27.128 2.038 0.891 0.523 0.906 0.688 CB 1.342 33 residues pruned to eliminate duplicates Z: 63 45.350 2.152 0.992 0.549 0.935 0.694 CB 1.370 63 residues pruned to eliminate duplicates Z: 63 46.768 2.165 0.918 0.562 0.935 0.710 CB 1.440 63 residues pruned to eliminate duplicates Z: 18 30.604 2.182 1.031 0.594 1.000 0.765 CB 1.531 18 residues pruned to eliminate duplicates Z: 65 43.295 2.122 0.928 0.515 0.938 0.625 CB 1.391 65 residues pruned to eliminate duplicates Z: 63 45.795 2.137 0.986 0.565 0.903 0.758 CB 1.423 63 residues pruned to eliminate duplicates Z: 62 49.830 2.178 1.024 0.566 0.934 0.705 CB 1.454 62 residues pruned to eliminate duplicates Z: 28 21.031 1.937 0.803 0.537 0.889 0.593 CB 1.257 28 residues pruned to eliminate duplicates Z: 64 48.193 2.149 0.992 0.553 0.952 0.730 CB 1.414 64 residues pruned to eliminate duplicates Z: 51 39.105 2.118 0.858 0.554 0.920 0.720 CB 1.449 51 residues pruned to eliminate duplicates Z: 62 47.281 2.164 1.019 0.563 0.918 0.738 CB 1.419 62 residues pruned to eliminate duplicates Z: 65 45.482 2.124 0.982 0.557 0.922 0.656 CB 1.385 65 residues pruned to eliminate duplicates Z: 63 42.240 2.119 0.802 0.551 0.935 0.726 CB 1.429 63 residues pruned to eliminate duplicates Z: 65 40.572 2.103 0.891 0.524 0.891 0.703 CB 1.398 65 residues pruned to eliminate duplicates Z: 62 50.791 2.141 1.074 0.593 0.918 0.738 CB 1.459 62 residues pruned to eliminate duplicates Z: 33 26.758 2.005 0.908 0.556 0.906 0.719 CB 1.292 33 residues pruned to eliminate duplicates Z: 51 35.452 2.099 0.799 0.501 0.920 0.680 CB 1.441 51 residues pruned to eliminate duplicates Z: 25 23.292 2.075 0.882 0.583 0.875 0.750 CB 1.284 25 residues pruned to eliminate duplicates Z: 33 26.694 2.022 0.873 0.519 0.938 0.656 CB 1.304 33 residues pruned to eliminate duplicates Z: 33 25.689 2.011 0.929 0.526 0.906 0.719 CB 1.259 33 residues pruned to eliminate duplicates Z: 152 109.240 2.443 0.957 0.625 0.947 0.702 CB 1.746 152 residues pruned to eliminate duplicates Z: 70 73.896 2.473 0.970 0.604 0.942 0.667 CB 1.756 70 residues pruned to eliminate duplicates Z: 152 102.383 2.436 0.910 0.609 0.927 0.715 CB 1.742 152 residues pruned to eliminate duplicates Z: 56 66.011 2.458 0.900 0.651 0.945 0.655 CB 1.751 106 residues pruned to eliminate duplicates Z: 102 89.992 2.462 1.016 0.595 0.950 0.624 CB 1.734 102 residues pruned to eliminate duplicates Z: 111 91.172 2.454 0.998 0.581 0.955 0.609 CB 1.719 111 residues pruned to eliminate duplicates Z: 152 108.247 2.439 0.994 0.616 0.940 0.722 CB 1.726 152 residues pruned to eliminate duplicates Z: 154 107.533 2.417 0.953 0.625 0.948 0.719 CB 1.728 154 residues pruned to eliminate duplicates Z: 100 95.565 2.497 1.065 0.616 0.949 0.717 CB 1.758 100 residues pruned to eliminate duplicates Z: 152 104.234 2.447 0.923 0.627 0.914 0.702 CB 1.751 152 residues pruned to eliminate duplicates Z: 83 83.162 2.506 0.978 0.604 0.951 0.634 CB 1.764 83 residues pruned to eliminate duplicates Z: 26 35.765 2.353 0.878 0.553 0.920 0.560 CB 1.671 Z: 6 5.124 1.753 0.434 0.414 0.800 0.600 CB 1.247 6 residues pruned to eliminate duplicates Z: 99 93.011 2.506 1.015 0.606 0.959 0.694 CB 1.754 125 residues pruned to eliminate duplicates Z: 70 67.705 2.461 0.861 0.609 0.928 0.667 CB 1.731 70 residues pruned to eliminate duplicates Z: 85 78.611 2.487 0.931 0.578 0.940 0.643 CB 1.762 85 residues pruned to eliminate duplicates Z: 152 106.717 2.446 0.955 0.619 0.940 0.728 CB 1.726 152 residues pruned to eliminate duplicates Z: 56 69.046 2.525 0.927 0.639 0.945 0.745 CB 1.777 56 residues pruned to eliminate duplicates Z: 153 100.906 2.420 0.918 0.598 0.941 0.724 CB 1.708 153 residues pruned to eliminate duplicates Z: 152 107.053 2.447 0.918 0.615 0.947 0.722 CB 1.759 152 residues pruned to eliminate duplicates Z: 153 104.660 2.431 0.968 0.612 0.921 0.678 CB 1.733 153 residues pruned to eliminate duplicates Z: 85 78.161 2.474 0.955 0.585 0.929 0.679 CB 1.750 85 residues pruned to eliminate duplicates Z: 101 86.271 2.473 1.016 0.584 0.920 0.720 CB 1.736 101 residues pruned to eliminate duplicates Z: 153 102.694 2.436 0.919 0.613 0.921 0.717 CB 1.738 153 residues pruned to eliminate duplicates Z: 112 89.757 2.464 1.076 0.562 0.928 0.712 CB 1.690 112 residues pruned to eliminate duplicates Z: 59 54.791 2.418 0.819 0.559 0.914 0.690 CB 1.691 59 residues pruned to eliminate duplicates Z: 87 75.151 2.458 0.968 0.576 0.919 0.686 CB 1.694 87 residues pruned to eliminate duplicates Z: 153 106.146 2.435 0.965 0.618 0.934 0.684 CB 1.723 153 residues pruned to eliminate duplicates Z: 62 71.566 2.501 1.068 0.600 0.934 0.738 CB 1.723 62 residues pruned to eliminate duplicates Z: 82 80.327 2.498 1.001 0.602 0.926 0.667 CB 1.751 82 residues pruned to eliminate duplicates Z: 153 102.262 2.435 0.946 0.596 0.928 0.704 CB 1.722 153 residues pruned to eliminate duplicates Z: 76 83.580 2.524 1.109 0.620 0.907 0.680 CB 1.786 76 residues pruned to eliminate duplicates Z: 152 103.411 2.435 0.954 0.604 0.927 0.735 CB 1.729 152 residues pruned to eliminate duplicates Z: 153 108.980 2.431 1.018 0.616 0.941 0.658 CB 1.717 153 residues pruned to eliminate duplicates Z: 72 62.505 2.403 0.924 0.567 0.873 0.592 CB 1.723 72 residues pruned to eliminate duplicates Z: 110 96.693 2.508 1.099 0.587 0.936 0.716 CB 1.730 110 residues pruned to eliminate duplicates Z: 60 70.921 2.534 1.110 0.604 0.915 0.678 CB 1.709 60 residues pruned to eliminate duplicates Z: 84 80.872 2.478 0.997 0.592 0.964 0.663 CB 1.704 84 residues pruned to eliminate duplicates Z: 70 70.979 2.471 0.997 0.602 0.899 0.667 CB 1.749 70 residues pruned to eliminate duplicates Z: 152 102.979 2.438 0.909 0.606 0.934 0.742 CB 1.743 152 residues pruned to eliminate duplicates Z: 75 90.034 2.538 1.189 0.626 0.946 0.689 CB 1.769 75 residues pruned to eliminate duplicates Z: 71 67.950 2.425 0.933 0.579 0.914 0.700 CB 1.756 71 residues pruned to eliminate duplicates Z: 100 92.105 2.495 1.008 0.600 0.949 0.646 CB 1.769 100 residues pruned to eliminate duplicates Z: 152 109.160 2.441 0.975 0.617 0.954 0.702 CB 1.729 152 residues pruned to eliminate duplicates Z: 153 106.089 2.431 0.980 0.612 0.941 0.671 CB 1.709 153 residues pruned to eliminate duplicates Z: 77 82.324 2.507 1.043 0.626 0.934 0.776 CB 1.753 77 residues pruned to eliminate duplicates Z: 46 63.722 2.508 0.923 0.636 0.956 0.689 CB 1.816 46 residues pruned to eliminate duplicates Z: 152 106.675 2.438 0.957 0.616 0.940 0.689 CB 1.733 152 residues pruned to eliminate duplicates Z: 69 73.563 2.498 0.931 0.589 0.956 0.662 CB 1.776 69 residues pruned to eliminate duplicates Z: 70 73.351 2.492 0.989 0.591 0.928 0.652 CB 1.761 70 residues pruned to eliminate duplicates Z: 108 76.838 2.333 0.861 0.580 0.935 0.654 CB 1.694 108 residues pruned to eliminate duplicates Z: 68 74.430 2.473 1.081 0.590 0.940 0.672 CB 1.724 68 residues pruned to eliminate duplicates Z: 100 92.945 2.496 1.113 0.597 0.929 0.737 CB 1.737 100 residues pruned to eliminate duplicates Z: 154 100.546 2.390 0.969 0.589 0.928 0.686 CB 1.709 154 residues pruned to eliminate duplicates Z: 35 33.563 2.409 0.947 0.453 0.853 0.471 CB 1.510 35 residues pruned to eliminate duplicates Z: 70 74.604 2.492 1.016 0.603 0.928 0.652 CB 1.747 70 residues pruned to eliminate duplicates Z: 92 66.540 2.368 0.965 0.506 0.912 0.582 CB 1.634 92 residues pruned to eliminate duplicates Z: 111 85.868 2.453 0.995 0.558 0.927 0.673 CB 1.706 111 residues pruned to eliminate duplicates Z: 76 90.191 2.520 1.206 0.612 0.960 0.720 CB 1.754 76 residues pruned to eliminate duplicates Z: 22 27.221 2.280 0.931 0.394 0.905 0.429 CB 1.669 22 residues pruned to eliminate duplicates Z: 88 83.149 2.466 1.124 0.569 0.931 0.690 CB 1.710 88 residues pruned to eliminate duplicates Z: 108 94.683 2.495 1.094 0.566 0.944 0.673 CB 1.740 108 residues pruned to eliminate duplicates Z: 131 101.873 2.402 1.027 0.622 0.946 0.715 CB 1.729 131 residues pruned to eliminate duplicates Z: 101 95.177 2.497 1.098 0.606 0.940 0.730 CB 1.748 101 residues pruned to eliminate duplicates Z: 85 96.770 2.542 1.199 0.617 0.952 0.702 CB 1.776 85 residues pruned to eliminate duplicates Z: 128 107.264 2.459 1.055 0.635 0.945 0.724 CB 1.756 128 residues pruned to eliminate duplicates Z: 106 82.978 2.383 0.927 0.587 0.943 0.686 CB 1.721 106 residues pruned to eliminate duplicates Z: 155 102.601 2.406 0.972 0.606 0.929 0.734 CB 1.696 155 residues pruned to eliminate duplicates Z: 133 82.038 2.329 0.921 0.546 0.902 0.629 CB 1.693 29 residues pruned to eliminate duplicates Z: 6 4.888 1.856 0.575 0.425 1.000 0.600 CA 0.809 6 residues pruned to eliminate duplicates Z: 60 58.246 2.433 1.170 0.468 0.915 0.661 CB 1.622 60 residues pruned to eliminate duplicates Z: 84 74.377 2.375 0.929 0.599 0.952 0.723 CB 1.704 84 residues pruned to eliminate duplicates Z: 32 52.503 2.458 1.294 0.550 0.935 0.581 CB 1.703 32 residues pruned to eliminate duplicates Z: 101 94.296 2.482 1.121 0.612 0.920 0.690 CB 1.751 51 residues pruned to eliminate duplicates Z: 6 6.849 1.722 0.819 0.296 1.000 0.800 C 1.228 6 residues pruned to eliminate duplicates Z: 152 108.008 2.437 0.950 0.620 0.947 0.735 CB 1.744 153 residues pruned to eliminate duplicates Z: 6 2.585 1.675 0.952 0.367 0.800 0.800 CB 0.510 6 residues pruned to eliminate duplicates Z: 100 95.997 2.503 1.137 0.605 0.939 0.727 CB 1.737 100 residues pruned to eliminate duplicates Z: 84 77.406 2.376 0.961 0.624 0.952 0.747 CB 1.705 84 residues pruned to eliminate duplicates Z: 111 91.411 2.457 1.192 0.570 0.918 0.755 CB 1.646 111 residues pruned to eliminate duplicates Z: 32 56.304 2.464 1.361 0.590 0.935 0.677 CB 1.704 32 residues pruned to eliminate duplicates Z: 100 90.508 2.495 1.071 0.581 0.939 0.667 CB 1.734 100 residues pruned to eliminate duplicates Z: 85 76.215 2.369 1.015 0.621 0.940 0.690 CB 1.653 85 residues pruned to eliminate duplicates Z: 32 58.503 2.434 1.389 0.619 0.935 0.774 CB 1.726 32 residues pruned to eliminate duplicates Z: 31 56.492 2.442 1.307 0.617 0.967 0.833 CB 1.695 31 residues pruned to eliminate duplicates Z: 23 34.884 2.390 1.028 0.536 0.955 0.682 CB 1.552 23 residues pruned to eliminate duplicates Z: 34 41.223 2.347 1.127 0.527 0.909 0.758 CB 1.540 34 residues pruned to eliminate duplicates Z: 102 88.991 2.455 1.107 0.580 0.941 0.673 CB 1.686 102 residues pruned to eliminate duplicates Z: 33 41.609 2.364 1.147 0.488 0.875 0.656 CB 1.676 33 residues pruned to eliminate duplicates Z: 84 80.202 2.382 1.034 0.630 0.940 0.771 CB 1.712 84 residues pruned to eliminate duplicates Z: 104 80.441 2.369 0.963 0.605 0.922 0.689 CB 1.673 104 residues pruned to eliminate duplicates Z: 31 49.426 2.471 1.214 0.560 0.933 0.767 CB 1.666 31 residues pruned to eliminate duplicates Z: 128 107.980 2.451 1.062 0.644 0.961 0.780 CB 1.726 128 residues pruned to eliminate duplicates Z: 84 72.396 2.361 0.944 0.590 0.940 0.771 CB 1.691 84 residues pruned to eliminate duplicates Z: 87 68.528 2.307 0.903 0.602 0.930 0.767 CB 1.643 87 residues pruned to eliminate duplicates Z: 84 76.125 2.379 0.922 0.612 0.964 0.807 CB 1.705 84 residues pruned to eliminate duplicates Z: 154 102.264 2.409 0.981 0.603 0.922 0.680 CB 1.705 154 residues pruned to eliminate duplicates Z: 9 12.899 1.754 1.023 0.526 0.875 0.750 N 1.432 9 residues pruned to eliminate duplicates Z: 43 50.700 2.434 1.100 0.483 0.929 0.595 CB 1.676 43 residues pruned to eliminate duplicates Z: 128 105.194 2.436 1.071 0.616 0.953 0.732 CB 1.740 128 residues pruned to eliminate duplicates Z: 72 64.878 2.349 0.888 0.588 0.930 0.746 CB 1.717 72 residues pruned to eliminate duplicates Z: 153 102.862 2.436 0.958 0.598 0.928 0.724 CB 1.717 153 residues pruned to eliminate duplicates Z: 129 96.956 2.430 0.979 0.610 0.922 0.688 CB 1.742 129 residues pruned to eliminate duplicates Z: 110 86.446 2.398 0.906 0.638 0.927 0.716 CB 1.719 110 residues pruned to eliminate duplicates Z: 83 73.966 2.384 0.893 0.626 0.951 0.793 CB 1.690 83 residues pruned to eliminate duplicates Z: 47 51.956 2.276 0.778 0.679 0.935 0.804 CB 1.717 47 residues pruned to eliminate duplicates Z: 103 80.514 2.392 1.006 0.587 0.912 0.686 CB 1.676 103 residues pruned to eliminate duplicates Z: 88 74.739 2.320 1.052 0.611 0.931 0.701 CB 1.627 88 residues pruned to eliminate duplicates Z: 84 76.543 2.368 0.980 0.625 0.940 0.723 CB 1.695 84 residues pruned to eliminate duplicates Z: 103 77.113 2.387 0.943 0.585 0.912 0.716 CB 1.664 103 residues pruned to eliminate duplicates Z: 151 107.838 2.445 1.007 0.614 0.940 0.687 CB 1.713 151 residues pruned to eliminate duplicates Z: 45 52.567 2.259 0.771 0.697 0.955 0.841 CB 1.733 45 residues pruned to eliminate duplicates Z: 46 51.966 2.263 0.725 0.703 0.956 0.756 CB 1.727 46 residues pruned to eliminate duplicates Z: 153 112.336 2.433 1.088 0.628 0.934 0.717 CB 1.703 153 residues pruned to eliminate duplicates Z: 85 78.215 2.390 1.002 0.618 0.940 0.774 CB 1.697 85 residues pruned to eliminate duplicates Z: 85 73.072 2.347 1.044 0.606 0.905 0.702 CB 1.661 85 residues pruned to eliminate duplicates Z: 46 53.247 2.304 0.745 0.706 0.956 0.822 CB 1.713 46 residues pruned to eliminate duplicates Z: 109 87.700 2.421 0.947 0.628 0.926 0.722 CB 1.715 109 residues pruned to eliminate duplicates Z: 103 79.965 2.392 1.020 0.567 0.931 0.716 CB 1.649 103 residues pruned to eliminate duplicates Z: 47 48.028 2.280 0.679 0.672 0.935 0.804 CB 1.688 47 residues pruned to eliminate duplicates Z: 48 49.890 2.227 0.730 0.686 0.957 0.787 CB 1.663 48 residues pruned to eliminate duplicates Z: 54 51.255 2.283 0.799 0.609 0.943 0.774 CB 1.639 54 residues pruned to eliminate duplicates Z: 72 72.488 2.339 1.002 0.663 0.944 0.803 CB 1.674 72 residues pruned to eliminate duplicates Z: 48 49.002 2.262 0.756 0.667 0.957 0.809 CB 1.610 48 residues pruned to eliminate duplicates Z: 73 66.615 2.346 0.932 0.613 0.931 0.764 CB 1.672 73 residues pruned to eliminate duplicates Z: 153 108.524 2.434 0.997 0.611 0.947 0.724 CB 1.719 153 residues pruned to eliminate duplicates Z: 60 54.387 2.274 0.779 0.600 0.949 0.763 CB 1.676 60 residues pruned to eliminate duplicates Z: 85 76.505 2.359 1.006 0.613 0.940 0.726 CB 1.686 85 residues pruned to eliminate duplicates Z: 46 53.304 2.298 0.743 0.713 0.956 0.800 CB 1.712 46 residues pruned to eliminate duplicates Z: 49 49.026 2.178 0.793 0.684 0.917 0.792 CB 1.669 49 residues pruned to eliminate duplicates Z: 50 51.324 2.251 0.745 0.677 0.959 0.816 CB 1.653 50 residues pruned to eliminate duplicates Z: 73 61.488 2.284 0.938 0.595 0.931 0.708 CB 1.607 73 residues pruned to eliminate duplicates Z: 153 105.568 2.435 1.011 0.596 0.928 0.724 CB 1.720 153 residues pruned to eliminate duplicates Z: 54 57.021 2.304 0.848 0.652 0.943 0.774 CB 1.694 54 residues pruned to eliminate duplicates Z: 47 52.325 2.267 0.836 0.655 0.935 0.761 CB 1.716 47 residues pruned to eliminate duplicates Z: 46 53.398 2.290 0.763 0.701 0.956 0.778 CB 1.718 46 residues pruned to eliminate duplicates Z: 50 47.104 2.204 0.712 0.674 0.918 0.755 CB 1.654 50 residues pruned to eliminate duplicates Z: 48 56.883 2.248 0.839 0.714 0.957 0.830 CB 1.727 48 residues pruned to eliminate duplicates Z: 48 53.960 2.229 0.829 0.720 0.957 0.809 CB 1.652 48 residues pruned to eliminate duplicates Z: 84 77.747 2.374 1.013 0.620 0.940 0.711 CB 1.698 84 residues pruned to eliminate duplicates Z: 109 91.290 2.423 0.986 0.638 0.944 0.741 CB 1.699 109 residues pruned to eliminate duplicates Z: 22 38.062 2.115 0.785 0.923 1.000 0.952 CB 1.546 22 residues pruned to eliminate duplicates Z: 84 66.913 2.326 0.913 0.579 0.940 0.711 CB 1.627 84 residues pruned to eliminate duplicates Z: 153 108.685 2.438 1.014 0.618 0.941 0.717 CB 1.707 153 residues pruned to eliminate duplicates Z: 152 106.898 2.446 0.988 0.607 0.940 0.728 CB 1.719 152 residues pruned to eliminate duplicates Z: 48 50.469 2.227 0.735 0.689 0.936 0.809 CB 1.711 48 residues pruned to eliminate duplicates Z: 48 49.236 2.247 0.688 0.690 0.936 0.766 CB 1.700 48 residues pruned to eliminate duplicates Z: 27 25.587 2.137 0.562 0.507 0.885 0.462 CB 1.688 27 residues pruned to eliminate duplicates Z: 26 26.567 2.185 0.745 0.502 0.840 0.480 CB 1.656 26 residues pruned to eliminate duplicates Z: 25 34.269 2.209 0.889 0.509 1.000 0.583 CB 1.662 25 residues pruned to eliminate duplicates Z: 27 31.601 2.121 0.923 0.521 0.962 0.538 CB 1.548 27 residues pruned to eliminate duplicates Z: 26 28.380 2.176 0.804 0.501 0.880 0.480 CB 1.641 26 residues pruned to eliminate duplicates Z: 26 32.417 2.198 0.757 0.551 0.960 0.600 CB 1.664 26 residues pruned to eliminate duplicates Z: 25 34.000 2.189 0.903 0.549 0.917 0.542 CB 1.732 25 residues pruned to eliminate duplicates Z: 25 34.663 2.199 0.940 0.539 0.917 0.583 CB 1.741 25 residues pruned to eliminate duplicates Z: 26 29.170 2.122 0.737 0.500 0.960 0.720 CB 1.649 26 residues pruned to eliminate duplicates Z: 88 63.427 2.273 0.895 0.566 0.931 0.678 CB 1.591 88 residues pruned to eliminate duplicates Z: 25 33.242 2.244 0.831 0.511 0.958 0.500 CB 1.703 25 residues pruned to eliminate duplicates Z: 24 33.141 2.246 0.826 0.555 0.913 0.522 CB 1.748 24 residues pruned to eliminate duplicates Z: 88 64.910 2.296 0.938 0.566 0.920 0.575 CB 1.595 88 residues pruned to eliminate duplicates Z: 23 35.151 2.306 0.877 0.584 0.909 0.591 CB 1.758 23 residues pruned to eliminate duplicates Z: 122 80.799 2.304 0.938 0.574 0.934 0.711 CB 1.639 122 residues pruned to eliminate duplicates Z: 151 86.838 2.274 0.884 0.593 0.933 0.673 CB 1.622 151 residues pruned to eliminate duplicates Z: 25 28.903 2.176 0.818 0.557 0.833 0.667 CB 1.693 25 residues pruned to eliminate duplicates Z: 113 78.090 2.310 1.007 0.566 0.929 0.661 CB 1.609 113 residues pruned to eliminate duplicates Z: 87 59.539 2.303 0.830 0.552 0.907 0.616 CB 1.597 87 residues pruned to eliminate duplicates Z: 111 73.769 2.322 0.870 0.569 0.927 0.682 CB 1.633 111 residues pruned to eliminate duplicates Z: 150 87.127 2.287 0.864 0.583 0.946 0.671 CB 1.634 150 residues pruned to eliminate duplicates Z: 28 33.081 2.139 0.955 0.525 0.926 0.630 CB 1.604 28 residues pruned to eliminate duplicates Z: 113 73.240 2.303 0.957 0.561 0.911 0.616 CB 1.589 113 residues pruned to eliminate duplicates Z: 89 63.226 2.279 0.914 0.570 0.920 0.670 CB 1.568 89 residues pruned to eliminate duplicates Z: 113 73.019 2.298 0.876 0.560 0.946 0.670 CB 1.595 113 residues pruned to eliminate duplicates Z: 113 79.526 2.314 0.972 0.575 0.946 0.679 CB 1.619 113 residues pruned to eliminate duplicates Z: 112 75.259 2.309 0.884 0.569 0.955 0.631 CB 1.608 112 residues pruned to eliminate duplicates Z: 150 88.210 2.289 0.872 0.583 0.953 0.711 CB 1.635 150 residues pruned to eliminate duplicates Z: 84 62.155 2.283 0.869 0.576 0.928 0.614 CB 1.601 84 residues pruned to eliminate duplicates Z: 88 65.756 2.305 0.884 0.575 0.943 0.701 CB 1.602 88 residues pruned to eliminate duplicates Z: 150 87.915 2.280 0.884 0.590 0.953 0.671 CB 1.614 150 residues pruned to eliminate duplicates Z: 113 75.221 2.313 0.954 0.550 0.929 0.652 CB 1.613 113 residues pruned to eliminate duplicates Z: 89 60.199 2.254 0.833 0.555 0.943 0.614 CB 1.561 89 residues pruned to eliminate duplicates Z: 109 79.666 2.304 1.001 0.584 0.954 0.667 CB 1.608 109 residues pruned to eliminate duplicates Z: 112 78.589 2.335 0.983 0.558 0.928 0.613 CB 1.641 112 residues pruned to eliminate duplicates Z: 126 77.351 2.278 0.945 0.561 0.920 0.656 CB 1.600 126 residues pruned to eliminate duplicates Z: 120 86.960 2.331 1.046 0.575 0.950 0.689 CB 1.637 120 residues pruned to eliminate duplicates Z: 122 83.825 2.291 0.988 0.577 0.950 0.694 CB 1.634 122 residues pruned to eliminate duplicates Z: 61 57.524 2.350 0.967 0.583 0.950 0.633 CB 1.562 61 residues pruned to eliminate duplicates Z: 113 77.550 2.307 0.991 0.564 0.920 0.661 CB 1.630 113 residues pruned to eliminate duplicates Z: 112 77.779 2.299 0.982 0.559 0.955 0.631 CB 1.603 112 residues pruned to eliminate duplicates Z: 121 81.196 2.302 0.975 0.569 0.925 0.633 CB 1.648 121 residues pruned to eliminate duplicates Z: 47 51.478 2.292 0.968 0.630 0.957 0.652 CB 1.556 47 residues pruned to eliminate duplicates Z: 111 76.822 2.325 0.979 0.561 0.936 0.655 CB 1.602 111 residues pruned to eliminate duplicates Z: 98 67.099 2.260 0.973 0.552 0.928 0.680 CB 1.565 98 residues pruned to eliminate duplicates Z: 109 79.643 2.318 1.026 0.581 0.926 0.667 CB 1.630 109 residues pruned to eliminate duplicates Z: 88 65.479 2.257 0.978 0.561 0.943 0.586 CB 1.572 88 residues pruned to eliminate duplicates Z: 94 80.431 2.345 1.127 0.602 0.946 0.677 CB 1.603 94 residues pruned to eliminate duplicates Z: 150 88.069 2.283 0.924 0.597 0.919 0.691 CB 1.629 150 residues pruned to eliminate duplicates Z: 89 65.045 2.283 0.948 0.562 0.920 0.693 CB 1.595 89 residues pruned to eliminate duplicates Z: 150 83.225 2.257 0.930 0.564 0.919 0.678 CB 1.600 150 residues pruned to eliminate duplicates Z: 110 77.650 2.302 1.006 0.572 0.927 0.661 CB 1.621 110 residues pruned to eliminate duplicates Z: 74 57.330 2.236 0.970 0.574 0.932 0.671 CB 1.523 74 residues pruned to eliminate duplicates Z: 88 62.706 2.271 0.925 0.558 0.920 0.621 CB 1.581 88 residues pruned to eliminate duplicates Z: 113 77.203 2.291 1.035 0.568 0.929 0.661 CB 1.577 113 residues pruned to eliminate duplicates Z: 112 80.670 2.316 1.072 0.571 0.937 0.685 CB 1.590 112 residues pruned to eliminate duplicates Z: 34 35.288 2.258 1.029 0.461 0.909 0.576 CB 1.536 34 residues pruned to eliminate duplicates Z: 62 49.431 2.271 0.983 0.471 0.918 0.574 CB 1.577 62 residues pruned to eliminate duplicates Z: 88 67.434 2.282 0.973 0.559 0.954 0.644 CB 1.591 88 residues pruned to eliminate duplicates Z: 119 82.137 2.323 1.019 0.560 0.932 0.712 CB 1.631 119 residues pruned to eliminate duplicates Z: 60 61.465 2.358 1.066 0.599 0.949 0.746 CB 1.574 60 residues pruned to eliminate duplicates Z: 54 46.147 2.301 0.971 0.467 0.887 0.623 CB 1.631 54 residues pruned to eliminate duplicates Z: 61 62.048 2.345 1.083 0.608 0.933 0.717 CB 1.586 61 residues pruned to eliminate duplicates Z: 87 65.672 2.287 0.968 0.567 0.930 0.616 CB 1.584 87 residues pruned to eliminate duplicates Z: 93 75.866 2.360 1.057 0.586 0.913 0.663 CB 1.643 93 residues pruned to eliminate duplicates Z: 111 85.552 2.342 1.068 0.584 0.945 0.709 CB 1.643 111 residues pruned to eliminate duplicates Z: 112 70.877 2.269 0.922 0.568 0.937 0.685 CB 1.541 112 residues pruned to eliminate duplicates Z: 112 79.349 2.311 1.021 0.575 0.928 0.667 CB 1.616 112 residues pruned to eliminate duplicates Z: 35 33.144 2.282 0.827 0.487 0.882 0.706 CB 1.566 35 residues pruned to eliminate duplicates Z: 150 89.345 2.279 0.953 0.582 0.933 0.658 CB 1.629 150 residues pruned to eliminate duplicates Z: 93 78.261 2.356 1.082 0.589 0.935 0.674 CB 1.635 93 residues pruned to eliminate duplicates Z: 146 90.119 2.304 0.964 0.585 0.931 0.703 CB 1.637 146 residues pruned to eliminate duplicates Z: 112 81.862 2.319 1.085 0.569 0.937 0.667 CB 1.605 112 residues pruned to eliminate duplicates Z: 83 53.520 2.226 0.932 0.515 0.902 0.610 CB 1.501 83 residues pruned to eliminate duplicates Z: 34 31.621 2.276 0.943 0.438 0.879 0.576 CB 1.510 34 residues pruned to eliminate duplicates Z: 89 71.298 2.289 0.986 0.584 0.977 0.659 CB 1.579 89 residues pruned to eliminate duplicates Z: 112 79.403 2.310 1.068 0.571 0.910 0.676 CB 1.618 112 residues pruned to eliminate duplicates Z: 37 30.198 2.239 0.815 0.454 0.861 0.639 CB 1.507 37 residues pruned to eliminate duplicates Z: 115 76.740 2.291 0.991 0.561 0.930 0.640 CB 1.597 115 residues pruned to eliminate duplicates Z: 63 46.544 2.252 0.957 0.478 0.903 0.613 CB 1.519 63 residues pruned to eliminate duplicates Z: 98 63.628 2.257 0.885 0.549 0.907 0.670 CB 1.596 98 residues pruned to eliminate duplicates Z: 107 67.833 2.266 1.005 0.537 0.915 0.660 CB 1.528 107 residues pruned to eliminate duplicates Z: 60 52.339 2.267 1.063 0.503 0.932 0.661 CB 1.559 60 residues pruned to eliminate duplicates Z: 121 82.826 2.304 1.082 0.565 0.917 0.617 CB 1.615 121 residues pruned to eliminate duplicates Z: 73 61.324 2.264 1.127 0.513 0.931 0.653 CB 1.592 73 residues pruned to eliminate duplicates Z: 112 76.442 2.307 0.955 0.575 0.937 0.640 CB 1.598 112 residues pruned to eliminate duplicates Z: 112 81.619 2.323 1.063 0.581 0.937 0.694 CB 1.596 112 residues pruned to eliminate duplicates Z: 63 49.800 2.264 1.036 0.483 0.919 0.597 CB 1.518 63 residues pruned to eliminate duplicates Z: 112 77.866 2.318 1.001 0.563 0.928 0.676 CB 1.615 112 residues pruned to eliminate duplicates Z: 109 77.597 2.316 0.981 0.571 0.935 0.704 CB 1.625 109 residues pruned to eliminate duplicates Z: 86 71.203 2.349 1.016 0.586 0.941 0.635 CB 1.596 86 residues pruned to eliminate duplicates Z: 61 50.335 2.309 0.981 0.482 0.917 0.583 CB 1.578 61 residues pruned to eliminate duplicates Z: 73 51.059 2.230 0.984 0.457 0.917 0.639 CB 1.550 73 residues pruned to eliminate duplicates Z: 120 87.892 2.330 1.084 0.584 0.924 0.697 CB 1.656 120 residues pruned to eliminate duplicates Z: 31 46.562 2.383 1.068 0.558 0.967 0.667 CB 1.687 31 residues pruned to eliminate duplicates Z: 59 54.912 2.311 1.107 0.511 0.931 0.621 CB 1.574 59 residues pruned to eliminate duplicates Z: 67 56.194 2.245 0.794 0.592 0.955 0.667 CB 1.648 67 residues pruned to eliminate duplicates Z: 36 47.562 2.306 1.117 0.544 0.914 0.771 CB 1.725 36 residues pruned to eliminate duplicates Z: 151 87.433 2.264 0.925 0.567 0.953 0.707 CB 1.610 151 residues pruned to eliminate duplicates Z: 22 20.131 2.090 0.831 0.403 0.905 0.762 CB 1.405 22 residues pruned to eliminate duplicates Z: 123 83.536 2.298 0.984 0.579 0.943 0.672 CB 1.630 123 residues pruned to eliminate duplicates Z: 16 18.091 2.208 0.647 0.402 0.867 0.600 CB 1.643 16 residues pruned to eliminate duplicates Z: 93 65.325 2.232 0.939 0.568 0.924 0.685 CB 1.595 93 residues pruned to eliminate duplicates Z: 22 27.236 2.092 0.810 0.539 0.952 0.619 CB 1.587 22 residues pruned to eliminate duplicates Z: 150 89.527 2.274 0.966 0.577 0.946 0.698 CB 1.609 150 residues pruned to eliminate duplicates Z: 111 76.344 2.313 0.971 0.561 0.945 0.636 CB 1.592 111 residues pruned to eliminate duplicates Z: 11 12.730 1.944 1.113 0.381 0.800 0.500 CA 1.391 11 residues pruned to eliminate duplicates Z: 22 23.075 2.175 0.832 0.470 0.857 0.619 CB 1.520 22 residues pruned to eliminate duplicates Z: 150 92.017 2.288 0.967 0.581 0.960 0.671 CB 1.615 150 residues pruned to eliminate duplicates Z: 85 64.044 2.208 0.954 0.555 0.940 0.679 CB 1.632 85 residues pruned to eliminate duplicates Z: 150 88.057 2.275 0.939 0.576 0.940 0.671 CB 1.617 150 residues pruned to eliminate duplicates Z: 128 77.186 2.272 0.925 0.557 0.929 0.732 CB 1.596 128 residues pruned to eliminate duplicates Z: 11 25.267 2.210 1.325 0.578 0.900 0.500 CA 1.603 11 residues pruned to eliminate duplicates Z: 11 22.283 2.207 0.952 0.735 0.900 0.800 CA 1.471 11 residues pruned to eliminate duplicates Z: 42 43.414 2.134 0.758 0.665 0.976 0.756 CB 1.590 42 residues pruned to eliminate duplicates Z: 11 28.180 2.250 1.095 0.656 1.000 0.800 CA 1.635 11 residues pruned to eliminate duplicates Z: 43 41.730 2.155 0.729 0.640 0.952 0.690 CB 1.591 43 residues pruned to eliminate duplicates Z: 42 42.569 2.162 0.757 0.639 0.951 0.756 CB 1.616 42 residues pruned to eliminate duplicates Z: 40 38.850 2.154 0.779 0.622 0.897 0.769 CB 1.612 40 residues pruned to eliminate duplicates Z: 48 38.618 2.033 0.747 0.623 0.915 0.809 CB 1.543 48 residues pruned to eliminate duplicates Z: 15 15.300 1.950 0.841 0.469 0.857 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 29 31.482 2.157 0.591 0.647 0.929 0.786 CB 1.629 29 residues pruned to eliminate duplicates Z: 49 36.992 2.090 0.691 0.568 0.896 0.708 CB 1.579 49 residues pruned to eliminate duplicates Z: 143 77.624 2.248 0.902 0.553 0.923 0.725 CB 1.568 143 residues pruned to eliminate duplicates Z: 44 36.053 2.066 0.757 0.627 0.907 0.698 CB 1.482 44 residues pruned to eliminate duplicates Z: 15 13.209 2.160 0.411 0.427 0.786 0.500 CB 1.590 15 residues pruned to eliminate duplicates Z: 28 33.485 2.194 0.649 0.670 0.926 0.778 CB 1.643 28 residues pruned to eliminate duplicates Z: 29 31.416 2.158 0.618 0.639 0.929 0.714 CB 1.608 29 residues pruned to eliminate duplicates Z: 29 37.503 2.165 0.711 0.717 0.964 0.786 CB 1.630 29 residues pruned to eliminate duplicates Z: 29 34.466 2.166 0.664 0.670 0.964 0.786 CB 1.602 31 residues pruned to eliminate duplicates Z: 6 3.613 1.792 0.044 0.333 0.800 0.800 N 1.296 6 residues pruned to eliminate duplicates Z: 29 33.058 2.158 0.639 0.669 0.929 0.786 CB 1.626 29 residues pruned to eliminate duplicates Z: 29 35.665 2.161 0.697 0.678 0.964 0.750 CB 1.618 29 residues pruned to eliminate duplicates Z: 18 24.231 2.071 0.395 0.782 1.000 0.765 CB 1.586 18 residues pruned to eliminate duplicates Z: 16 30.086 2.089 0.726 0.873 1.000 0.867 CB 1.570 16 residues pruned to eliminate duplicates Z: 17 28.645 2.042 0.834 0.898 1.000 0.875 CB 1.369 17 residues pruned to eliminate duplicates Z: 19 25.982 1.883 0.699 0.875 0.944 0.722 CA 1.474 17 residues pruned to eliminate duplicates Z: 17 28.564 2.066 0.574 0.901 1.000 0.938 CB 1.567 17 residues pruned to eliminate duplicates Z: 29 34.678 2.161 0.673 0.653 0.964 0.786 CB 1.630 29 residues pruned to eliminate duplicates Z: 29 31.276 2.150 0.632 0.644 0.929 0.714 CB 1.586 29 residues pruned to eliminate duplicates Z: 29 35.620 2.152 0.701 0.653 1.000 0.679 CB 1.596 29 residues pruned to eliminate duplicates Z: 29 31.943 2.161 0.626 0.635 0.929 0.786 CB 1.630 29 residues pruned to eliminate duplicates Z: 29 32.407 2.154 0.606 0.688 0.929 0.857 CB 1.605 29 residues pruned to eliminate duplicates Z: 30 35.100 2.117 0.694 0.687 0.966 0.759 CB 1.586 31 residues pruned to eliminate duplicates Z: 19 24.624 1.885 0.569 0.883 1.000 0.833 CB 1.419 19 residues pruned to eliminate duplicates Z: 29 38.096 2.154 0.686 0.707 1.000 0.821 CB 1.642 29 residues pruned to eliminate duplicates Z: 92 61.087 2.238 0.863 0.557 0.912 0.714 CB 1.592 92 residues pruned to eliminate duplicates Z: 29 36.073 2.161 0.742 0.645 0.964 0.750 CB 1.640 29 residues pruned to eliminate duplicates Z: 18 15.922 1.574 0.669 0.868 1.000 0.529 CB 1.075 18 residues pruned to eliminate duplicates Z: 17 13.664 1.620 0.471 0.865 1.000 0.750 CB 1.050 17 residues pruned to eliminate duplicates Z: 69 41.286 1.973 0.828 0.621 0.941 0.721 CB 1.316 67 residues pruned to eliminate duplicates Z: 17 16.245 1.617 0.546 0.884 1.000 0.688 CB 1.174 17 residues pruned to eliminate duplicates Z: 17 17.349 1.633 0.639 0.906 1.000 0.812 CB 1.153 18 residues pruned to eliminate duplicates Z: 17 15.592 1.646 0.578 0.878 1.000 0.562 CB 1.090 17 residues pruned to eliminate duplicates Z: 44 26.382 1.847 0.637 0.674 0.930 0.674 CB 1.218 44 residues pruned to eliminate duplicates Z: 17 15.602 1.621 0.544 0.893 1.000 0.875 CB 1.120 17 residues pruned to eliminate duplicates Z: 83 47.132 2.017 0.879 0.600 0.939 0.671 CB 1.330 83 residues pruned to eliminate duplicates Z: 68 43.537 1.988 0.794 0.616 0.970 0.746 CB 1.377 68 residues pruned to eliminate duplicates Z: 44 26.785 1.866 0.775 0.635 0.907 0.605 CB 1.198 44 residues pruned to eliminate duplicates Z: 80 48.295 2.045 0.897 0.603 0.949 0.747 CB 1.338 80 residues pruned to eliminate duplicates Z: 18 17.023 1.581 0.728 0.876 1.000 0.647 CB 1.099 18 residues pruned to eliminate duplicates Z: 83 47.360 1.998 0.895 0.611 0.951 0.695 CB 1.307 82 residues pruned to eliminate duplicates Z: 8 5.986 1.711 0.362 0.552 0.714 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 18 19.958 1.950 0.621 0.562 1.000 0.706 CB 1.441 18 residues pruned to eliminate duplicates Z: 6 7.770 1.716 0.378 0.712 1.000 0.800 CB 1.213 6 residues pruned to eliminate duplicates Z: 18 22.447 1.963 0.729 0.612 1.000 0.765 CB 1.442 18 residues pruned to eliminate duplicates Z: 6 6.829 1.762 0.404 0.681 0.800 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 19 18.889 1.896 0.648 0.523 1.000 0.667 CB 1.393 19 residues pruned to eliminate duplicates Z: 18 20.709 1.948 0.644 0.592 1.000 0.647 CB 1.435 18 residues pruned to eliminate duplicates Z: 22 15.277 1.795 0.638 0.481 0.952 0.619 CB 1.214 22 residues pruned to eliminate duplicates Z: 19 18.168 1.872 0.684 0.539 0.944 0.667 CB 1.384 19 residues pruned to eliminate duplicates Z: 19 18.506 1.890 0.646 0.556 0.944 0.667 CB 1.406 19 residues pruned to eliminate duplicates Z: 18 21.158 1.957 0.647 0.609 1.000 0.765 CB 1.436 18 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 48 B: 203 C: 49 D: 125 E: 18 CC for partial structure against native data = 46.41 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.789 for dens.mod. cycle 1 = 0.300, Contrast = 0.627, Connect. = 0.810 for dens.mod. cycle 2 = 0.300, Contrast = 0.752, Connect. = 0.831 for dens.mod. cycle 3 = 0.300, Contrast = 0.765, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.779, Connect. = 0.833 for dens.mod. cycle 5 = 0.300, Contrast = 0.786, Connect. = 0.834 for dens.mod. cycle 6 = 0.300, Contrast = 0.793, Connect. = 0.835 for dens.mod. cycle 7 = 0.300, Contrast = 0.796, Connect. = 0.836 for dens.mod. cycle 8 = 0.300, Contrast = 0.799, Connect. = 0.836 for dens.mod. cycle 9 = 0.300, Contrast = 0.801, Connect. = 0.837 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2358 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 538 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 54.204 2.632 0.874 0.900 0.952 0.905 CB 1.797 B: 22 51.473 2.640 0.737 0.928 0.952 0.905 CB 1.801 22 residues pruned to eliminate duplicates C: 22 50.511 2.633 0.596 0.941 1.000 0.905 CB 1.821 22 residues pruned to eliminate duplicates D: 22 49.823 2.618 0.610 0.940 1.000 0.952 CB 1.791 22 residues pruned to eliminate duplicates E: 22 49.738 2.620 0.637 0.941 1.000 0.952 CB 1.756 22 residues pruned to eliminate duplicates F: 22 56.150 2.615 0.988 0.923 0.952 0.905 CB 1.739 22 residues pruned to eliminate duplicates G: 21 34.739 2.182 0.531 0.921 1.000 0.850 CB 1.636 H: 22 68.097 2.633 1.157 0.957 1.000 0.810 CB 1.796 22 residues pruned to eliminate duplicates I: 152 109.054 2.452 0.986 0.616 0.940 0.715 CB 1.736 43 residues pruned to eliminate duplicates J: 22 58.579 2.629 1.156 0.901 0.905 0.810 CB 1.780 22 residues pruned to eliminate duplicates K: 21 54.027 2.392 1.044 0.952 1.000 0.900 CB 1.701 L: 22 53.864 2.638 0.705 0.959 1.000 0.905 CB 1.791 22 residues pruned to eliminate duplicates M: 22 51.474 2.628 0.785 0.917 0.952 0.810 CB 1.774 22 residues pruned to eliminate duplicates N: 21 56.937 2.497 1.086 0.940 1.000 0.900 CB 1.698 O: 22 43.939 2.346 0.819 0.941 1.000 0.905 CB 1.560 22 residues pruned to eliminate duplicates P: 22 66.539 2.615 1.148 0.945 1.000 0.810 CB 1.789 22 residues pruned to eliminate duplicates Q: 22 64.188 2.631 1.043 0.951 1.000 0.810 CB 1.797 22 residues pruned to eliminate duplicates R: 24 47.592 2.481 0.660 0.889 0.957 0.870 CB 1.813 24 residues pruned to eliminate duplicates S: 21 51.039 2.383 0.884 0.940 1.000 1.000 CB 1.765 21 residues pruned to eliminate duplicates T: 21 47.743 2.387 0.797 0.929 1.000 0.950 CB 1.742 21 residues pruned to eliminate duplicates U: 20 66.932 2.567 1.252 0.960 1.000 0.842 CB 1.819 21 residues pruned to eliminate duplicates V: 72 57.210 2.299 0.789 0.585 0.958 0.634 CB 1.588 20 residues pruned to eliminate duplicates W: 21 57.668 2.414 1.137 0.925 1.000 0.750 CB 1.754 21 residues pruned to eliminate duplicates X: 21 59.352 2.531 1.172 0.897 0.950 0.700 CB 1.819 21 residues pruned to eliminate duplicates Y: 21 50.064 2.372 0.929 0.940 1.000 0.950 CB 1.699 22 residues pruned to eliminate duplicates Z: 22 63.340 2.640 1.359 0.906 0.905 0.857 CB 1.745 22 residues pruned to eliminate duplicates Z: 21 49.873 2.377 0.898 0.944 1.000 1.000 CB 1.712 21 residues pruned to eliminate duplicates Z: 22 62.935 2.616 1.193 0.930 0.952 0.952 CB 1.759 22 residues pruned to eliminate duplicates Z: 47 46.108 2.211 0.765 0.661 0.913 0.761 CB 1.643 47 residues pruned to eliminate duplicates Z: 22 59.456 2.593 1.106 0.929 0.952 0.857 CB 1.746 22 residues pruned to eliminate duplicates Z: 51 37.346 2.109 0.880 0.524 0.920 0.580 CB 1.415 Z: 21 49.992 2.348 0.913 0.924 1.000 0.950 CB 1.748 21 residues pruned to eliminate duplicates Z: 20 31.474 2.211 0.397 0.902 1.000 0.842 CB 1.668 20 residues pruned to eliminate duplicates Z: 21 59.400 2.479 1.323 0.898 0.950 0.600 CB 1.736 21 residues pruned to eliminate duplicates Z: 42 54.532 2.455 1.180 0.555 0.951 0.756 CB 1.586 42 residues pruned to eliminate duplicates Z: 36 39.437 2.382 0.953 0.465 0.914 0.571 CB 1.624 36 residues pruned to eliminate duplicates Z: 63 44.459 2.142 0.933 0.538 0.935 0.645 CB 1.404 51 residues pruned to eliminate duplicates Z: 22 63.915 2.613 1.323 0.909 0.952 0.619 CB 1.712 22 residues pruned to eliminate duplicates Z: 21 49.728 2.387 0.857 0.932 1.000 1.000 CB 1.752 21 residues pruned to eliminate duplicates Z: 20 54.956 2.546 0.900 0.935 1.000 0.947 CB 1.816 20 residues pruned to eliminate duplicates Z: 78 63.261 2.250 0.889 0.597 0.948 0.727 CB 1.631 Z: 152 106.218 2.442 1.002 0.589 0.940 0.675 CB 1.727 152 residues pruned to eliminate duplicates Z: 21 48.839 2.476 0.795 0.939 1.000 0.950 CB 1.707 21 residues pruned to eliminate duplicates Z: 80 60.851 2.268 0.959 0.598 0.899 0.658 CB 1.563 100 residues pruned to eliminate duplicates Z: 46 47.085 2.246 0.678 0.662 0.933 0.778 CB 1.717 46 residues pruned to eliminate duplicates Z: 152 102.927 2.439 0.915 0.615 0.927 0.735 CB 1.736 152 residues pruned to eliminate duplicates Z: 21 50.960 2.502 0.859 0.950 1.000 0.950 CB 1.690 21 residues pruned to eliminate duplicates Z: 21 57.907 2.478 1.213 0.898 0.950 0.750 CB 1.777 21 residues pruned to eliminate duplicates Z: 56 39.616 2.149 0.714 0.503 0.927 0.636 CB 1.559 56 residues pruned to eliminate duplicates Z: 21 67.856 2.509 1.449 0.957 1.000 1.000 CB 1.695 21 residues pruned to eliminate duplicates Z: 21 62.951 2.521 1.230 0.946 1.000 0.950 CB 1.732 21 residues pruned to eliminate duplicates Z: 21 52.696 2.511 0.877 0.950 1.000 1.000 CB 1.724 21 residues pruned to eliminate duplicates Z: 47 50.794 2.437 1.125 0.491 0.913 0.543 CB 1.598 47 residues pruned to eliminate duplicates Z: 83 73.328 2.369 0.970 0.596 0.927 0.707 CB 1.708 83 residues pruned to eliminate duplicates Z: 52 36.083 2.082 0.898 0.516 0.902 0.608 CB 1.396 52 residues pruned to eliminate duplicates Z: 20 28.918 2.181 0.881 0.559 0.947 0.579 CB 1.612 20 residues pruned to eliminate duplicates Z: 22 54.808 2.614 0.936 0.914 0.952 0.810 CB 1.755 22 residues pruned to eliminate duplicates Z: 92 67.484 2.402 0.869 0.549 0.901 0.659 CB 1.667 92 residues pruned to eliminate duplicates Z: 103 80.388 2.403 0.883 0.589 0.951 0.686 CB 1.698 103 residues pruned to eliminate duplicates Z: 144 93.233 2.314 0.995 0.601 0.937 0.720 CB 1.637 150 residues pruned to eliminate duplicates Z: 61 53.074 2.298 0.974 0.498 0.933 0.683 CB 1.622 61 residues pruned to eliminate duplicates Z: 23 33.655 2.068 0.631 0.927 1.000 0.864 CB 1.490 23 residues pruned to eliminate duplicates Z: 66 56.154 2.379 1.051 0.473 0.877 0.631 CB 1.672 66 residues pruned to eliminate duplicates Z: 34 27.828 2.145 0.753 0.481 0.909 0.545 CB 1.445 16 residues pruned to eliminate duplicates Z: 64 43.214 2.140 0.906 0.534 0.921 0.683 CB 1.401 64 residues pruned to eliminate duplicates Z: 21 35.653 2.154 0.612 0.915 1.000 0.850 CB 1.623 21 residues pruned to eliminate duplicates Z: 56 71.793 2.552 0.937 0.642 0.945 0.745 CB 1.814 56 residues pruned to eliminate duplicates Z: 22 30.282 2.291 0.282 0.931 1.000 0.952 CB 1.573 Z: 148 81.734 2.239 0.968 0.562 0.932 0.660 CB 1.545 147 residues pruned to eliminate duplicates Z: 51 38.801 2.098 0.947 0.546 0.940 0.620 CB 1.366 51 residues pruned to eliminate duplicates Z: 25 32.198 2.216 0.823 0.564 0.917 0.625 CB 1.668 25 residues pruned to eliminate duplicates Z: 41 39.638 2.133 0.704 0.651 0.950 0.750 CB 1.577 41 residues pruned to eliminate duplicates Z: 50 65.061 2.513 0.883 0.667 0.939 0.714 CB 1.793 50 residues pruned to eliminate duplicates Z: 18 31.869 2.272 0.931 0.618 0.941 0.706 CB 1.674 18 residues pruned to eliminate duplicates Z: 34 40.980 2.447 1.001 0.484 0.879 0.727 CB 1.685 34 residues pruned to eliminate duplicates Z: 21 50.071 2.468 0.930 0.911 0.950 0.950 CB 1.753 21 residues pruned to eliminate duplicates Z: 21 48.792 2.371 0.827 0.957 1.000 0.950 CB 1.729 22 residues pruned to eliminate duplicates Z: 49 41.599 2.140 0.812 0.575 0.896 0.729 CB 1.607 49 residues pruned to eliminate duplicates Z: 55 39.340 2.069 0.913 0.534 0.944 0.630 CB 1.384 55 residues pruned to eliminate duplicates Z: 13 27.885 2.145 1.087 0.582 1.000 0.583 CB 1.663 13 residues pruned to eliminate duplicates Z: 22 52.990 2.337 1.106 0.949 1.000 0.762 CB 1.622 22 residues pruned to eliminate duplicates Z: 21 26.608 2.313 0.862 0.427 0.900 0.600 CB 1.657 21 residues pruned to eliminate duplicates Z: 84 71.610 2.366 0.899 0.616 0.940 0.795 CB 1.667 84 residues pruned to eliminate duplicates Z: 32 36.576 2.197 0.925 0.553 0.935 0.548 CB 1.577 32 residues pruned to eliminate duplicates Z: 31 42.610 2.250 1.122 0.608 0.933 0.700 CB 1.575 31 residues pruned to eliminate duplicates Z: 18 29.311 2.305 1.035 0.528 0.882 0.647 CB 1.670 18 residues pruned to eliminate duplicates Z: 32 43.361 2.278 0.576 0.742 1.000 0.806 CB 1.747 32 residues pruned to eliminate duplicates Z: 113 71.599 2.273 0.956 0.550 0.929 0.652 CB 1.561 113 residues pruned to eliminate duplicates Z: 25 33.919 2.205 0.920 0.561 0.958 0.667 CB 1.609 25 residues pruned to eliminate duplicates Z: 15 19.949 2.039 0.741 0.610 0.929 0.571 CB 1.457 15 residues pruned to eliminate duplicates Z: 152 107.079 2.428 0.984 0.618 0.940 0.735 CB 1.721 152 residues pruned to eliminate duplicates Z: 152 102.097 2.428 0.941 0.611 0.914 0.735 CB 1.736 152 residues pruned to eliminate duplicates Z: 20 42.738 2.521 0.471 0.936 1.000 1.000 CB 1.841 20 residues pruned to eliminate duplicates Z: 71 77.829 2.449 1.116 0.614 0.929 0.657 CB 1.735 71 residues pruned to eliminate duplicates Z: 84 73.583 2.369 0.961 0.618 0.928 0.747 CB 1.677 84 residues pruned to eliminate duplicates Z: 67 74.243 2.501 1.015 0.596 0.939 0.773 CB 1.761 67 residues pruned to eliminate duplicates Z: 84 70.519 2.359 0.894 0.603 0.940 0.723 CB 1.672 84 residues pruned to eliminate duplicates Z: 31 50.992 2.507 1.103 0.566 0.967 0.667 CB 1.714 31 residues pruned to eliminate duplicates Z: 78 39.082 1.986 0.726 0.557 0.909 0.610 CB 1.352 61 residues pruned to eliminate duplicates Z: 21 37.868 2.180 0.665 0.922 1.000 0.850 CB 1.641 21 residues pruned to eliminate duplicates Z: 153 105.463 2.428 0.941 0.626 0.928 0.691 CB 1.737 153 residues pruned to eliminate duplicates Z: 21 28.738 2.123 0.361 0.910 1.000 0.900 CB 1.577 21 residues pruned to eliminate duplicates Z: 51 42.959 2.191 0.936 0.533 0.920 0.640 CB 1.508 51 residues pruned to eliminate duplicates Z: 29 31.801 2.122 0.582 0.686 0.964 0.786 CB 1.566 29 residues pruned to eliminate duplicates Z: 18 32.004 2.329 1.137 0.531 0.882 0.529 CB 1.714 18 residues pruned to eliminate duplicates Z: 106 64.947 2.186 0.844 0.587 0.962 0.676 CB 1.504 107 residues pruned to eliminate duplicates Z: 19 16.605 1.818 0.548 0.533 1.000 0.611 CB 1.346 Z: 18 22.507 1.952 0.501 0.866 0.941 0.706 CB 1.450 18 residues pruned to eliminate duplicates Z: 36 37.158 2.382 0.967 0.445 0.886 0.571 CB 1.602 36 residues pruned to eliminate duplicates Z: 55 41.509 2.172 0.995 0.465 0.907 0.630 CB 1.489 55 residues pruned to eliminate duplicates Z: 80 57.778 2.241 0.859 0.569 0.911 0.709 CB 1.602 80 residues pruned to eliminate duplicates Z: 23 33.958 2.248 0.904 0.553 0.955 0.682 CB 1.683 23 residues pruned to eliminate duplicates Z: 101 77.340 2.396 0.885 0.596 0.910 0.720 CB 1.717 101 residues pruned to eliminate duplicates Z: 154 107.794 2.417 0.995 0.623 0.941 0.732 CB 1.710 154 residues pruned to eliminate duplicates Z: 105 77.341 2.385 0.902 0.573 0.933 0.683 CB 1.671 105 residues pruned to eliminate duplicates Z: 106 60.343 2.180 0.854 0.566 0.914 0.686 CB 1.495 106 residues pruned to eliminate duplicates Z: 69 70.635 2.383 0.929 0.626 0.941 0.750 CB 1.758 69 residues pruned to eliminate duplicates Z: 152 103.433 2.438 0.921 0.604 0.940 0.702 CB 1.731 152 residues pruned to eliminate duplicates Z: 22 51.177 2.334 1.133 0.938 1.000 0.810 CB 1.560 22 residues pruned to eliminate duplicates Z: 21 50.299 2.385 0.899 0.946 1.000 0.850 CB 1.718 21 residues pruned to eliminate duplicates Z: 20 44.081 2.517 0.607 0.933 1.000 0.789 CB 1.744 20 residues pruned to eliminate duplicates Z: 22 37.808 2.103 0.744 0.931 1.000 0.857 CB 1.571 22 residues pruned to eliminate duplicates Z: 50 49.543 2.258 1.002 0.573 0.918 0.694 CB 1.589 50 residues pruned to eliminate duplicates Z: 18 11.288 1.970 0.353 0.345 0.824 0.529 CB 1.476 18 residues pruned to eliminate duplicates Z: 149 82.510 2.273 0.863 0.564 0.939 0.689 CB 1.602 149 residues pruned to eliminate duplicates Z: 52 57.464 2.332 0.861 0.626 0.922 0.784 CB 1.787 52 residues pruned to eliminate duplicates Z: 100 88.834 2.488 1.034 0.609 0.909 0.687 CB 1.750 100 residues pruned to eliminate duplicates Z: 17 28.912 2.063 0.646 0.886 1.000 0.938 CB 1.535 17 residues pruned to eliminate duplicates Z: 96 72.185 2.300 0.956 0.599 0.937 0.747 CB 1.599 96 residues pruned to eliminate duplicates Z: 17 27.831 2.057 0.613 0.914 1.000 0.750 CB 1.482 17 residues pruned to eliminate duplicates Z: 150 87.510 2.288 0.913 0.572 0.953 0.685 CB 1.603 150 residues pruned to eliminate duplicates Z: 11 25.912 2.176 1.290 0.675 0.900 0.700 CA 1.555 11 residues pruned to eliminate duplicates Z: 17 29.062 2.072 0.607 0.891 1.000 0.875 CB 1.568 17 residues pruned to eliminate duplicates Z: 57 34.278 2.191 0.505 0.535 0.857 0.625 CB 1.567 57 residues pruned to eliminate duplicates Z: 43 45.029 2.230 0.780 0.634 0.952 0.643 CB 1.620 43 residues pruned to eliminate duplicates Z: 26 21.267 2.051 0.852 0.533 0.920 0.680 CB 1.178 26 residues pruned to eliminate duplicates Z: 22 72.909 2.624 1.343 0.954 1.000 0.762 CB 1.780 22 residues pruned to eliminate duplicates Z: 151 86.176 2.276 0.931 0.591 0.920 0.687 CB 1.595 151 residues pruned to eliminate duplicates Z: 150 84.971 2.276 0.939 0.578 0.919 0.711 CB 1.591 150 residues pruned to eliminate duplicates Z: 20 57.781 2.536 1.070 0.947 1.000 0.895 CB 1.745 20 residues pruned to eliminate duplicates Z: 21 34.753 2.153 0.566 0.887 1.000 0.950 CA 1.662 21 residues pruned to eliminate duplicates Z: 64 39.551 2.082 0.863 0.536 0.905 0.683 CB 1.370 64 residues pruned to eliminate duplicates Z: 58 68.328 2.476 0.958 0.625 0.947 0.684 CB 1.751 58 residues pruned to eliminate duplicates Z: 24 23.086 2.064 0.609 0.529 0.913 0.652 CB 1.544 24 residues pruned to eliminate duplicates Z: 6 12.104 2.124 0.554 0.811 0.800 0.600 CA 1.564 6 residues pruned to eliminate duplicates Z: 21 57.035 2.519 1.052 0.948 1.000 0.900 CB 1.704 21 residues pruned to eliminate duplicates Z: 21 33.098 2.180 0.480 0.915 1.000 0.900 CB 1.620 21 residues pruned to eliminate duplicates Z: 17 25.051 2.067 0.505 0.887 0.938 0.812 CB 1.548 17 residues pruned to eliminate duplicates Z: 9 19.760 2.183 0.948 0.455 1.000 0.750 CB 1.721 9 residues pruned to eliminate duplicates Z: 21 35.735 2.201 0.568 0.916 1.000 0.900 CB 1.636 21 residues pruned to eliminate duplicates Z: 19 29.195 1.925 0.688 0.893 1.000 0.778 CB 1.520 19 residues pruned to eliminate duplicates Z: 67 74.427 2.503 0.981 0.607 0.939 0.727 CB 1.777 67 residues pruned to eliminate duplicates Z: 153 102.873 2.426 0.991 0.603 0.928 0.724 CB 1.689 153 residues pruned to eliminate duplicates Z: 112 78.932 2.308 0.990 0.575 0.946 0.694 CB 1.604 112 residues pruned to eliminate duplicates Z: 56 65.671 2.500 0.940 0.646 0.909 0.764 CB 1.753 56 residues pruned to eliminate duplicates Z: 84 71.921 2.375 0.922 0.596 0.940 0.747 CB 1.679 84 residues pruned to eliminate duplicates Z: 9 11.591 1.697 0.629 0.846 0.875 0.625 CA 1.259 9 residues pruned to eliminate duplicates Z: 7 8.318 1.675 0.241 0.746 1.000 0.833 CB 1.312 7 residues pruned to eliminate duplicates Z: 104 78.778 2.395 0.951 0.569 0.922 0.689 CB 1.684 105 residues pruned to eliminate duplicates Z: 22 33.261 2.102 0.548 0.903 1.000 0.810 CB 1.590 22 residues pruned to eliminate duplicates Z: 6 7.184 1.782 0.021 0.783 1.000 0.600 CA 1.377 6 residues pruned to eliminate duplicates Z: 128 101.360 2.442 1.033 0.633 0.937 0.732 CB 1.707 128 residues pruned to eliminate duplicates Z: 29 23.670 2.044 0.677 0.439 0.857 0.500 CB 1.621 29 residues pruned to eliminate duplicates Z: 26 32.549 2.171 0.904 0.547 0.920 0.560 CB 1.635 26 residues pruned to eliminate duplicates Z: 64 39.866 2.125 0.814 0.514 0.937 0.698 CB 1.372 64 residues pruned to eliminate duplicates Z: 56 58.278 2.353 1.085 0.531 0.927 0.655 CB 1.675 56 residues pruned to eliminate duplicates Z: 152 99.509 2.433 0.858 0.602 0.940 0.702 CB 1.729 152 residues pruned to eliminate duplicates Z: 151 104.225 2.442 0.865 0.622 0.960 0.713 CB 1.736 151 residues pruned to eliminate duplicates Z: 69 72.962 2.484 0.912 0.591 0.956 0.706 CB 1.786 69 residues pruned to eliminate duplicates Z: 85 69.263 2.343 1.008 0.581 0.952 0.655 CB 1.560 85 residues pruned to eliminate duplicates Z: 9 27.537 2.321 0.607 0.891 1.000 0.875 CB 1.877 9 residues pruned to eliminate duplicates Z: 21 63.324 2.491 1.409 0.954 0.950 0.850 CB 1.709 21 residues pruned to eliminate duplicates Z: 63 39.234 2.124 0.775 0.534 0.919 0.661 CB 1.390 63 residues pruned to eliminate duplicates Z: 14 20.195 2.143 0.872 0.599 0.923 0.615 CB 1.376 14 residues pruned to eliminate duplicates Z: 81 74.847 2.500 0.968 0.583 0.900 0.675 CB 1.745 81 residues pruned to eliminate duplicates Z: 8 15.383 1.892 0.871 0.814 0.857 0.571 CB 1.458 8 residues pruned to eliminate duplicates Z: 41 40.777 2.148 0.750 0.652 0.950 0.750 CB 1.567 41 residues pruned to eliminate duplicates Z: 7 10.936 2.182 0.324 0.785 0.833 0.667 CA 1.443 7 residues pruned to eliminate duplicates Z: 151 106.704 2.452 0.979 0.609 0.933 0.713 CB 1.734 151 residues pruned to eliminate duplicates Z: 18 21.792 1.946 0.291 0.883 1.000 0.882 CB 1.522 18 residues pruned to eliminate duplicates Z: 17 26.799 2.069 0.497 0.880 1.000 0.812 CB 1.568 17 residues pruned to eliminate duplicates Z: 112 79.053 2.313 0.996 0.571 0.937 0.631 CB 1.619 112 residues pruned to eliminate duplicates Z: 85 70.274 2.351 0.868 0.600 0.952 0.702 CB 1.667 85 residues pruned to eliminate duplicates Z: 41 54.549 2.447 1.196 0.587 0.950 0.650 CB 1.554 41 residues pruned to eliminate duplicates Z: 53 44.367 2.160 0.670 0.644 0.904 0.769 CB 1.649 47 residues pruned to eliminate duplicates Z: 18 25.640 1.990 0.638 0.913 0.882 0.824 CB 1.530 18 residues pruned to eliminate duplicates Z: 18 26.414 1.954 0.624 0.925 1.000 0.765 CB 1.416 18 residues pruned to eliminate duplicates Z: 15 26.011 2.155 0.469 0.914 1.000 0.929 CB 1.554 15 residues pruned to eliminate duplicates Z: 21 59.419 2.347 1.306 0.942 1.000 0.900 CB 1.702 21 residues pruned to eliminate duplicates Z: 9 18.262 1.653 1.156 0.853 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 110 93.003 2.497 1.069 0.576 0.936 0.679 CB 1.712 110 residues pruned to eliminate duplicates Z: 74 62.687 2.251 0.966 0.627 0.945 0.644 CB 1.556 70 residues pruned to eliminate duplicates Z: 30 39.426 2.233 1.033 0.559 0.966 0.724 CB 1.578 30 residues pruned to eliminate duplicates Z: 108 88.919 2.490 0.967 0.578 0.935 0.645 CB 1.741 108 residues pruned to eliminate duplicates Z: 64 42.734 2.136 0.895 0.551 0.921 0.667 CB 1.375 64 residues pruned to eliminate duplicates Z: 30 34.336 2.096 0.657 0.699 0.966 0.862 CB 1.587 30 residues pruned to eliminate duplicates Z: 62 44.304 2.131 0.870 0.554 0.951 0.639 CB 1.420 62 residues pruned to eliminate duplicates Z: 7 9.374 2.000 0.547 0.788 0.667 0.500 CA 1.439 7 residues pruned to eliminate duplicates Z: 46 47.562 2.262 0.611 0.703 0.956 0.778 CB 1.692 46 residues pruned to eliminate duplicates Z: 13 39.796 2.223 1.110 0.939 1.000 0.750 CB 1.702 13 residues pruned to eliminate duplicates Z: 25 20.761 2.030 0.741 0.559 0.917 0.667 CB 1.235 25 residues pruned to eliminate duplicates Z: 24 35.422 2.235 0.926 0.576 0.957 0.609 CB 1.667 24 residues pruned to eliminate duplicates Z: 100 88.082 2.497 0.937 0.599 0.949 0.646 CB 1.754 100 residues pruned to eliminate duplicates Z: 10 4.815 1.439 0.604 0.578 0.778 0.556 N 0.829 10 residues pruned to eliminate duplicates Z: 7 8.948 1.672 0.431 0.780 1.000 0.667 CB 1.192 7 residues pruned to eliminate duplicates Z: 17 19.093 1.929 0.580 0.613 1.000 0.750 CB 1.407 18 residues pruned to eliminate duplicates Z: 88 64.155 2.294 0.858 0.583 0.931 0.701 CB 1.600 88 residues pruned to eliminate duplicates Z: 16 29.492 2.340 0.817 0.564 0.933 0.733 CB 1.803 16 residues pruned to eliminate duplicates Z: 20 21.689 2.156 0.773 0.494 0.842 0.474 CB 1.555 20 residues pruned to eliminate duplicates Z: 71 69.083 2.454 0.892 0.599 0.943 0.657 CB 1.717 71 residues pruned to eliminate duplicates Z: 47 57.238 2.354 1.147 0.588 0.891 0.804 CB 1.722 47 residues pruned to eliminate duplicates Z: 28 33.289 2.160 1.023 0.537 0.963 0.704 CB 1.468 28 residues pruned to eliminate duplicates Z: 18 19.475 2.127 0.842 0.481 0.824 0.765 CB 1.492 18 residues pruned to eliminate duplicates Z: 19 15.490 1.821 0.594 0.541 0.889 0.611 CB 1.359 19 residues pruned to eliminate duplicates Z: 13 22.692 2.175 0.880 0.621 0.833 0.833 CB 1.716 13 residues pruned to eliminate duplicates Z: 106 62.840 2.194 0.788 0.597 0.933 0.714 CB 1.528 106 residues pruned to eliminate duplicates Z: 49 44.053 2.136 0.754 0.623 0.958 0.812 CB 1.577 49 residues pruned to eliminate duplicates Z: 142 85.384 2.285 0.877 0.573 0.936 0.674 CB 1.668 142 residues pruned to eliminate duplicates Z: 77 45.486 2.136 0.771 0.523 0.934 0.632 CB 1.443 77 residues pruned to eliminate duplicates Z: 12 12.410 1.735 0.382 0.903 0.909 0.636 CB 1.224 12 residues pruned to eliminate duplicates Z: 88 67.417 2.313 1.002 0.563 0.943 0.678 CB 1.559 88 residues pruned to eliminate duplicates Z: 30 44.851 2.280 1.106 0.637 0.931 0.690 CB 1.638 30 residues pruned to eliminate duplicates Z: 31 40.968 2.230 1.034 0.688 0.933 0.567 CB 1.488 31 residues pruned to eliminate duplicates Z: 109 73.894 2.319 0.935 0.576 0.926 0.667 CB 1.591 109 residues pruned to eliminate duplicates Z: 7 5.450 1.302 0.463 0.649 1.000 0.667 C 1.016 7 residues pruned to eliminate duplicates Z: 23 37.409 2.085 0.743 0.920 1.000 0.909 CB 1.546 28 residues pruned to eliminate duplicates Z: 103 83.742 2.401 0.972 0.596 0.931 0.706 CB 1.716 103 residues pruned to eliminate duplicates Z: 47 48.415 2.250 0.701 0.699 0.935 0.783 CB 1.664 47 residues pruned to eliminate duplicates Z: 35 34.288 2.386 0.807 0.443 0.912 0.618 CB 1.587 35 residues pruned to eliminate duplicates Z: 6 11.653 1.836 0.723 0.798 1.000 1.000 CB 1.269 6 residues pruned to eliminate duplicates Z: 33 32.999 2.199 0.745 0.558 0.938 0.812 CB 1.532 33 residues pruned to eliminate duplicates Z: 36 29.940 2.229 0.956 0.411 0.857 0.457 CB 1.486 36 residues pruned to eliminate duplicates Z: 6 7.699 2.047 0.521 0.620 1.000 1.000 CB 0.987 Z: 83 75.227 2.494 0.938 0.592 0.915 0.659 CB 1.722 83 residues pruned to eliminate duplicates Z: 16 11.264 1.600 0.474 0.861 0.867 0.467 CB 1.045 16 residues pruned to eliminate duplicates Z: 8 7.276 1.676 0.357 0.535 1.000 0.571 CB 1.169 8 residues pruned to eliminate duplicates Z: 48 51.658 2.341 0.856 0.538 0.979 0.702 CB 1.707 48 residues pruned to eliminate duplicates Z: 14 8.502 1.818 0.338 0.536 0.846 0.538 CB 1.106 14 residues pruned to eliminate duplicates Z: 14 35.424 2.051 1.155 0.910 1.000 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 64 55.361 2.274 0.945 0.593 0.937 0.667 CB 1.541 64 residues pruned to eliminate duplicates Z: 17 23.676 2.032 0.348 0.895 1.000 0.938 CB 1.549 17 residues pruned to eliminate duplicates Z: 30 36.081 2.085 0.692 0.717 0.966 0.759 CB 1.615 30 residues pruned to eliminate duplicates Z: 59 43.453 2.187 0.850 0.508 0.914 0.690 CB 1.532 59 residues pruned to eliminate duplicates Z: 6 5.247 1.929 -0.392 0.782 1.000 0.800 O 1.561 Z: 111 74.348 2.309 0.899 0.567 0.936 0.691 CB 1.618 111 residues pruned to eliminate duplicates Z: 112 75.167 2.303 0.928 0.574 0.928 0.685 CB 1.611 112 residues pruned to eliminate duplicates Z: 7 9.380 1.735 0.303 0.834 1.000 0.833 C 1.270 7 residues pruned to eliminate duplicates Z: 7 14.276 1.796 0.549 0.907 1.000 1.000 CB 1.490 7 residues pruned to eliminate duplicates Z: 23 19.432 2.071 0.670 0.527 0.818 0.545 CB 1.426 23 residues pruned to eliminate duplicates Z: 12 32.179 2.208 1.225 0.719 1.000 0.818 CB 1.620 12 residues pruned to eliminate duplicates Z: 93 76.597 2.348 1.077 0.590 0.935 0.685 CB 1.608 93 residues pruned to eliminate duplicates Z: 28 43.360 2.254 0.856 0.780 0.963 0.778 CB 1.618 28 residues pruned to eliminate duplicates Z: 6 4.881 1.846 0.086 0.498 0.800 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 58 56.363 2.279 0.945 0.632 0.947 0.614 CB 1.571 58 residues pruned to eliminate duplicates Z: 40 51.623 2.463 1.139 0.535 0.949 0.692 CB 1.597 40 residues pruned to eliminate duplicates Z: 68 79.916 2.517 1.048 0.605 0.970 0.687 CB 1.767 68 residues pruned to eliminate duplicates Z: 13 21.305 2.138 0.779 0.524 0.917 0.500 CB 1.721 13 residues pruned to eliminate duplicates Z: 22 30.914 2.091 0.602 0.891 1.000 0.810 CB 1.447 22 residues pruned to eliminate duplicates Z: 6 6.617 1.897 1.000 0.461 0.600 0.400 CA 1.353 6 residues pruned to eliminate duplicates Z: 6 8.589 1.834 0.464 0.794 0.800 0.800 CB 1.382 6 residues pruned to eliminate duplicates Z: 58 59.559 2.320 0.938 0.636 0.947 0.719 CB 1.629 58 residues pruned to eliminate duplicates Z: 14 17.957 2.071 0.917 0.481 0.923 0.692 CB 1.385 14 residues pruned to eliminate duplicates Z: 77 54.676 2.209 0.868 0.571 0.908 0.697 CB 1.562 77 residues pruned to eliminate duplicates Z: 17 12.139 1.570 0.382 0.876 1.000 0.875 CB 1.017 17 residues pruned to eliminate duplicates Z: 50 32.224 2.114 0.734 0.505 0.878 0.633 CB 1.424 50 residues pruned to eliminate duplicates Z: 81 60.701 2.272 0.924 0.580 0.887 0.725 CB 1.620 81 residues pruned to eliminate duplicates Z: 33 37.734 2.337 0.921 0.525 0.938 0.594 CB 1.546 33 residues pruned to eliminate duplicates Z: 8 11.523 1.924 0.987 0.503 0.857 0.571 CB 1.325 8 residues pruned to eliminate duplicates Z: 76 58.874 2.223 0.852 0.624 0.920 0.653 CB 1.597 76 residues pruned to eliminate duplicates Z: 114 72.686 2.262 0.937 0.562 0.938 0.628 CB 1.566 114 residues pruned to eliminate duplicates Z: 13 17.994 1.994 0.796 0.708 0.917 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 33 41.603 2.283 1.119 0.522 0.906 0.719 CB 1.641 33 residues pruned to eliminate duplicates Z: 19 40.137 2.431 0.549 0.931 1.000 0.944 CB 1.756 19 residues pruned to eliminate duplicates Z: 64 72.899 2.486 1.067 0.622 0.889 0.714 CB 1.792 64 residues pruned to eliminate duplicates Z: 26 38.868 2.248 1.115 0.608 0.880 0.800 CB 1.677 26 residues pruned to eliminate duplicates Z: 6 5.605 1.832 -0.085 0.672 0.800 0.600 O 1.595 Z: 151 104.637 2.444 0.953 0.617 0.933 0.707 CB 1.717 151 residues pruned to eliminate duplicates Z: 6 4.890 1.803 0.237 0.585 0.600 0.400 O 1.506 Z: 59 61.934 2.450 0.928 0.622 0.914 0.759 CB 1.678 59 residues pruned to eliminate duplicates Z: 29 31.694 2.110 0.562 0.687 0.964 0.750 CB 1.587 29 residues pruned to eliminate duplicates Z: 65 63.535 2.357 1.190 0.547 0.922 0.688 CB 1.594 65 residues pruned to eliminate duplicates Z: 7 8.269 1.890 0.756 0.547 0.833 0.667 CB 1.166 Z: 111 76.146 2.309 0.967 0.554 0.927 0.664 CB 1.636 111 residues pruned to eliminate duplicates Z: 45 45.871 2.192 0.874 0.639 0.909 0.705 CB 1.626 45 residues pruned to eliminate duplicates Z: 12 29.034 2.143 0.780 0.922 1.000 0.818 CB 1.613 12 residues pruned to eliminate duplicates Z: 32 24.136 1.999 0.797 0.555 0.935 0.645 CB 1.223 32 residues pruned to eliminate duplicates Z: 22 38.786 2.140 0.748 0.922 1.000 0.905 CB 1.592 22 residues pruned to eliminate duplicates Z: 40 51.757 2.300 0.961 0.649 0.974 0.692 CB 1.642 40 residues pruned to eliminate duplicates Z: 68 67.061 2.367 0.845 0.652 0.940 0.776 CB 1.732 68 residues pruned to eliminate duplicates Z: 12 10.458 1.918 0.315 0.673 0.909 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 49 39.900 2.155 0.907 0.554 0.917 0.708 CB 1.450 49 residues pruned to eliminate duplicates Z: 43 38.710 2.209 0.768 0.592 0.929 0.762 CB 1.508 43 residues pruned to eliminate duplicates Z: 16 13.256 1.600 0.501 0.870 1.000 0.733 CB 1.041 16 residues pruned to eliminate duplicates Z: 41 49.830 2.325 1.085 0.568 0.925 0.725 CB 1.646 41 residues pruned to eliminate duplicates Z: 23 29.469 2.241 0.877 0.560 0.864 0.591 CB 1.633 23 residues pruned to eliminate duplicates Z: 43 35.427 2.089 0.602 0.593 0.976 0.690 CB 1.530 43 residues pruned to eliminate duplicates Z: 50 38.206 2.311 0.795 0.451 0.898 0.551 CB 1.540 50 residues pruned to eliminate duplicates Z: 12 23.711 2.177 1.147 0.600 0.909 0.727 CB 1.529 12 residues pruned to eliminate duplicates Z: 151 83.064 2.257 0.877 0.571 0.940 0.687 CB 1.591 151 residues pruned to eliminate duplicates Z: 20 40.905 2.239 0.739 0.912 1.000 0.895 CB 1.707 20 residues pruned to eliminate duplicates Z: 18 28.260 2.033 0.513 0.852 1.000 0.882 CB 1.649 18 residues pruned to eliminate duplicates Z: 12 15.151 2.065 0.739 0.546 0.818 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 9 8.359 1.603 0.266 0.886 1.000 0.625 CA 1.051 9 residues pruned to eliminate duplicates Z: 9 11.016 1.867 0.686 0.523 1.000 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 13 8.389 1.808 0.465 0.551 0.833 0.500 CB 1.044 13 residues pruned to eliminate duplicates Z: 19 13.426 1.762 0.451 0.550 0.889 0.556 CB 1.326 19 residues pruned to eliminate duplicates Z: 14 14.157 1.983 0.720 0.514 0.923 0.615 CB 1.230 14 residues pruned to eliminate duplicates Z: 6 6.879 1.808 -0.166 0.715 1.000 0.800 O 1.679 Z: 46 47.205 2.418 0.784 0.539 0.889 0.622 CB 1.766 46 residues pruned to eliminate duplicates Z: 73 68.530 2.434 0.934 0.567 0.917 0.667 CB 1.754 73 residues pruned to eliminate duplicates Z: 102 76.854 2.390 0.890 0.586 0.911 0.743 CB 1.712 102 residues pruned to eliminate duplicates Z: 75 71.790 2.427 0.969 0.575 0.932 0.622 CB 1.743 75 residues pruned to eliminate duplicates Z: 12 9.818 1.831 0.415 0.569 0.909 0.636 CB 1.176 12 residues pruned to eliminate duplicates Z: 121 75.834 2.309 0.849 0.568 0.925 0.725 CB 1.642 121 residues pruned to eliminate duplicates Z: 73 60.008 2.229 0.830 0.612 0.972 0.694 CB 1.603 73 residues pruned to eliminate duplicates Z: 150 86.345 2.280 0.871 0.592 0.946 0.664 CB 1.604 150 residues pruned to eliminate duplicates Z: 7 8.204 1.883 0.409 0.393 1.000 0.667 CB 1.413 7 residues pruned to eliminate duplicates Z: 7 5.119 1.728 -0.009 0.626 1.000 0.833 O 1.083 6 residues pruned to eliminate duplicates Z: 18 16.929 1.868 0.494 0.541 1.000 0.706 CB 1.414 18 residues pruned to eliminate duplicates Z: 8 3.636 1.525 0.179 0.596 1.000 0.571 CB 0.697 6 residues pruned to eliminate duplicates Z: 7 5.618 1.771 0.436 0.545 0.667 0.667 CB 1.294 Z: 17 15.878 1.580 0.658 0.872 1.000 0.688 CB 1.105 17 residues pruned to eliminate duplicates Z: 47 53.510 2.261 0.781 0.716 0.957 0.739 CB 1.685 47 residues pruned to eliminate duplicates Z: 17 12.297 1.571 0.386 0.886 1.000 0.812 CB 1.019 17 residues pruned to eliminate duplicates Z: 11 32.192 2.204 1.259 0.809 1.000 0.900 CA 1.562 11 residues pruned to eliminate duplicates Z: 6 3.500 1.651 0.923 0.492 0.800 0.600 N 0.621 Z: 8 21.427 2.090 1.261 0.576 1.000 0.714 CA 1.593 8 residues pruned to eliminate duplicates Z: 67 40.427 2.068 0.851 0.551 0.909 0.697 CB 1.360 67 residues pruned to eliminate duplicates Z: 22 32.042 2.112 0.461 0.926 1.000 0.905 CB 1.590 22 residues pruned to eliminate duplicates Z: 28 36.989 2.197 0.568 0.741 1.000 0.889 CB 1.666 28 residues pruned to eliminate duplicates Z: 48 50.292 2.136 0.864 0.655 0.979 0.723 CB 1.630 48 residues pruned to eliminate duplicates Z: 27 32.350 2.165 0.924 0.584 0.885 0.731 CB 1.589 27 residues pruned to eliminate duplicates Z: 98 65.836 2.252 0.881 0.559 0.948 0.701 CB 1.571 98 residues pruned to eliminate duplicates Z: 69 69.317 2.477 1.025 0.548 0.912 0.603 CB 1.753 69 residues pruned to eliminate duplicates Z: 14 15.934 2.031 0.861 0.570 0.846 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 31 44.634 2.432 1.210 0.561 0.900 0.700 CB 1.587 31 residues pruned to eliminate duplicates Z: 50 47.576 2.289 1.005 0.532 0.898 0.673 CB 1.598 50 residues pruned to eliminate duplicates Z: 36 43.466 2.348 0.944 0.567 0.943 0.686 CB 1.600 36 residues pruned to eliminate duplicates Z: 43 59.064 2.500 1.044 0.633 0.905 0.762 CB 1.739 43 residues pruned to eliminate duplicates Z: 23 37.231 2.135 0.551 0.888 1.000 0.909 CB 1.728 23 residues pruned to eliminate duplicates Z: 8 6.468 1.903 0.607 0.375 0.857 0.571 CB 1.066 8 residues pruned to eliminate duplicates Z: 11 32.452 2.296 0.871 0.893 1.000 0.500 CB 1.714 11 residues pruned to eliminate duplicates Z: 7 5.330 1.724 0.179 0.670 0.833 0.667 CB 1.098 7 residues pruned to eliminate duplicates Z: 98 59.999 2.230 0.831 0.539 0.918 0.680 CB 1.565 98 residues pruned to eliminate duplicates Z: 126 80.702 2.272 0.912 0.599 0.952 0.736 CB 1.589 126 residues pruned to eliminate duplicates Z: 111 75.714 2.322 0.982 0.571 0.927 0.655 CB 1.579 111 residues pruned to eliminate duplicates Z: 42 40.792 2.221 0.827 0.533 0.951 0.610 CB 1.598 42 residues pruned to eliminate duplicates Z: 54 35.012 2.111 0.924 0.524 0.887 0.698 CB 1.304 54 residues pruned to eliminate duplicates Z: 24 9.518 1.812 0.346 0.386 0.739 0.478 CB 1.242 24 residues pruned to eliminate duplicates Z: 22 51.904 2.563 0.916 0.926 0.952 0.905 CB 1.698 22 residues pruned to eliminate duplicates Z: 16 25.285 2.097 0.511 0.887 1.000 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 68 64.979 2.357 0.865 0.618 0.925 0.791 CB 1.745 68 residues pruned to eliminate duplicates Z: 113 76.387 2.306 0.931 0.571 0.946 0.661 CB 1.599 113 residues pruned to eliminate duplicates Z: 22 32.981 2.055 0.711 0.889 1.000 0.905 CB 1.474 22 residues pruned to eliminate duplicates Z: 42 46.680 2.268 0.981 0.551 0.927 0.683 CB 1.667 42 residues pruned to eliminate duplicates Z: 6 6.317 1.672 0.056 0.763 1.000 1.000 CB 1.268 6 residues pruned to eliminate duplicates Z: 36 47.288 2.389 1.000 0.561 0.943 0.714 CB 1.672 36 residues pruned to eliminate duplicates Z: 16 28.901 2.080 0.677 0.886 1.000 0.800 CB 1.544 16 residues pruned to eliminate duplicates Z: 20 68.148 2.726 1.101 0.955 1.000 1.000 CB 1.876 20 residues pruned to eliminate duplicates Z: 38 36.951 2.364 0.901 0.461 0.892 0.541 CB 1.577 38 residues pruned to eliminate duplicates Z: 26 32.112 2.160 0.800 0.556 0.960 0.560 CB 1.629 26 residues pruned to eliminate duplicates Z: 9 5.324 1.688 0.434 0.451 0.750 0.500 CB 1.089 9 residues pruned to eliminate duplicates Z: 29 35.568 2.100 0.709 0.730 0.964 0.786 CB 1.579 29 residues pruned to eliminate duplicates Z: 20 19.139 2.113 0.814 0.328 0.895 0.474 CB 1.547 20 residues pruned to eliminate duplicates Z: 26 16.982 1.832 0.688 0.627 0.840 0.640 CB 1.160 26 residues pruned to eliminate duplicates Z: 15 12.215 1.630 0.454 0.896 0.929 0.643 CB 1.063 15 residues pruned to eliminate duplicates Z: 127 99.153 2.438 0.902 0.626 0.952 0.746 CB 1.775 127 residues pruned to eliminate duplicates Z: 100 88.871 2.494 1.030 0.594 0.919 0.697 CB 1.755 100 residues pruned to eliminate duplicates Z: 47 52.378 2.265 1.039 0.635 0.935 0.696 CB 1.577 47 residues pruned to eliminate duplicates Z: 88 62.003 2.219 0.888 0.570 0.920 0.759 CB 1.613 88 residues pruned to eliminate duplicates Z: 8 3.533 1.762 0.314 0.339 0.714 0.571 CB 0.961 Z: 152 110.567 2.439 1.054 0.623 0.934 0.662 CB 1.713 152 residues pruned to eliminate duplicates Z: 18 17.711 1.911 0.576 0.554 1.000 0.588 CB 1.353 18 residues pruned to eliminate duplicates Z: 19 14.707 1.803 0.465 0.489 1.000 0.611 CB 1.327 19 residues pruned to eliminate duplicates Z: 111 76.530 2.327 0.957 0.575 0.927 0.673 CB 1.608 111 residues pruned to eliminate duplicates Z: 6 4.718 1.731 -0.244 0.770 1.000 1.000 CB 1.270 4 residues pruned to eliminate duplicates Z: 42 34.203 2.058 0.707 0.674 0.902 0.707 CB 1.436 42 residues pruned to eliminate duplicates Z: 16 14.300 1.646 0.502 0.867 1.000 0.667 CB 1.092 16 residues pruned to eliminate duplicates Z: 135 82.951 2.282 0.981 0.569 0.940 0.687 CB 1.578 135 residues pruned to eliminate duplicates Z: 48 58.346 2.383 1.118 0.576 0.936 0.723 CB 1.674 48 residues pruned to eliminate duplicates Z: 10 5.437 1.707 0.090 0.466 0.778 0.556 CB 1.297 6 residues pruned to eliminate duplicates Z: 19 17.240 1.868 0.673 0.608 0.889 0.667 CB 1.321 19 residues pruned to eliminate duplicates Z: 67 67.879 2.459 0.965 0.587 0.924 0.621 CB 1.722 67 residues pruned to eliminate duplicates Z: 9 22.833 2.487 0.779 0.875 1.000 0.750 CB 1.327 9 residues pruned to eliminate duplicates Z: 6 5.405 1.604 -0.063 0.828 1.000 1.000 CB 1.210 6 residues pruned to eliminate duplicates Z: 29 27.815 2.191 0.978 0.445 0.893 0.571 CB 1.437 29 residues pruned to eliminate duplicates Z: 33 35.634 2.128 0.994 0.547 0.938 0.625 CB 1.513 33 residues pruned to eliminate duplicates Z: 19 33.569 2.305 0.970 0.581 0.944 0.722 CB 1.706 19 residues pruned to eliminate duplicates Z: 9 7.351 1.448 0.471 0.584 0.875 0.750 CA 1.287 9 residues pruned to eliminate duplicates Z: 15 16.576 2.143 0.770 0.374 0.857 0.429 CB 1.560 15 residues pruned to eliminate duplicates Z: 16 13.078 1.618 0.343 0.865 1.000 0.867 CB 1.139 16 residues pruned to eliminate duplicates Z: 42 55.203 2.473 1.148 0.543 0.927 0.585 CB 1.679 42 residues pruned to eliminate duplicates Z: 15 14.449 1.678 0.444 0.907 1.000 0.714 CB 1.133 15 residues pruned to eliminate duplicates Z: 11 20.697 2.177 0.729 0.674 0.900 0.800 CA 1.646 11 residues pruned to eliminate duplicates Z: 8 5.952 1.784 0.289 0.461 0.857 0.571 C 1.187 Z: 7 5.176 1.622 0.127 0.553 1.000 0.667 CB 1.098 Z: 104 65.152 2.219 0.875 0.592 0.951 0.718 CB 1.485 105 residues pruned to eliminate duplicates Z: 31 37.793 2.184 0.994 0.584 0.933 0.767 CB 1.567 31 residues pruned to eliminate duplicates Z: 21 72.680 2.697 1.292 0.930 1.000 0.800 CB 1.838 21 residues pruned to eliminate duplicates Z: 21 14.379 1.947 0.496 0.453 0.850 0.550 CA 1.363 21 residues pruned to eliminate duplicates Z: 100 89.501 2.498 1.007 0.599 0.929 0.677 CB 1.757 100 residues pruned to eliminate duplicates Z: 23 24.340 2.287 0.818 0.486 0.864 0.682 CB 1.466 23 residues pruned to eliminate duplicates Z: 21 34.277 2.351 0.849 0.527 0.950 0.500 CB 1.807 21 residues pruned to eliminate duplicates Z: 8 10.698 2.035 0.345 0.847 1.000 1.000 CB 1.097 8 residues pruned to eliminate duplicates Z: 112 73.229 2.292 0.930 0.567 0.937 0.685 CB 1.572 112 residues pruned to eliminate duplicates Z: 102 63.061 2.199 1.022 0.556 0.891 0.723 CB 1.500 102 residues pruned to eliminate duplicates Z: 58 52.380 2.260 0.797 0.641 0.912 0.719 CB 1.642 58 residues pruned to eliminate duplicates Z: 34 37.222 2.187 0.962 0.541 0.909 0.667 CB 1.596 34 residues pruned to eliminate duplicates Z: 10 21.276 2.315 0.669 0.550 1.000 0.889 CA 1.748 10 residues pruned to eliminate duplicates Z: 10 32.594 2.402 1.426 0.894 1.000 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 49 45.895 2.185 1.056 0.578 0.938 0.771 CB 1.459 49 residues pruned to eliminate duplicates Z: 9 12.369 1.723 0.799 0.774 1.000 0.625 CB 1.108 9 residues pruned to eliminate duplicates Z: 7 4.871 1.729 0.131 0.541 1.000 1.000 CB 0.977 7 residues pruned to eliminate duplicates Z: 8 9.348 2.270 0.187 0.622 1.000 1.000 CB 1.169 8 residues pruned to eliminate duplicates Z: 64 39.252 2.111 0.806 0.495 0.952 0.651 CB 1.370 64 residues pruned to eliminate duplicates Z: 32 22.892 1.986 0.821 0.533 0.903 0.710 CB 1.218 32 residues pruned to eliminate duplicates Z: 16 18.199 2.067 0.620 0.504 0.867 0.667 CB 1.613 16 residues pruned to eliminate duplicates Z: 65 41.602 2.086 0.842 0.554 0.922 0.688 CB 1.393 65 residues pruned to eliminate duplicates Z: 30 44.670 2.281 1.022 0.642 0.966 0.724 CB 1.631 30 residues pruned to eliminate duplicates Z: 24 21.366 1.929 0.761 0.486 0.957 0.478 CB 1.391 23 residues pruned to eliminate duplicates Z: 9 7.995 1.906 0.347 0.597 0.875 0.750 CB 1.146 9 residues pruned to eliminate duplicates Z: 23 54.498 2.578 0.765 0.941 1.000 1.000 CB 1.772 23 residues pruned to eliminate duplicates Z: 17 14.058 1.585 0.492 0.885 1.000 0.750 CB 1.073 17 residues pruned to eliminate duplicates Z: 139 81.606 2.270 0.867 0.595 0.935 0.696 CB 1.601 139 residues pruned to eliminate duplicates Z: 21 62.348 2.677 1.082 0.952 0.950 0.900 CB 1.813 21 residues pruned to eliminate duplicates Z: 72 57.549 2.284 0.918 0.580 0.915 0.634 CB 1.577 72 residues pruned to eliminate duplicates Z: 52 54.809 2.310 0.777 0.642 0.941 0.765 CB 1.740 53 residues pruned to eliminate duplicates Z: 21 37.785 2.327 0.997 0.547 0.950 0.550 CB 1.828 22 residues pruned to eliminate duplicates Z: 27 20.046 1.992 0.792 0.518 0.923 0.692 CB 1.172 27 residues pruned to eliminate duplicates Z: 19 39.695 2.293 1.006 0.806 0.944 0.833 CB 1.649 19 residues pruned to eliminate duplicates Z: 13 28.984 2.433 0.995 0.507 0.917 0.750 CB 1.868 13 residues pruned to eliminate duplicates Z: 32 43.397 2.348 0.873 0.536 0.935 0.774 CB 1.830 32 residues pruned to eliminate duplicates Z: 100 65.177 2.234 0.882 0.549 0.919 0.646 CB 1.615 100 residues pruned to eliminate duplicates Z: 9 5.685 1.775 0.351 0.478 0.875 0.875 CB 0.979 Z: 7 4.442 1.634 0.272 0.394 0.833 0.500 CB 1.172 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 151 110.744 2.456 0.994 0.617 0.940 0.713 CB 1.758 151 residues pruned to eliminate duplicates Z: 70 68.884 2.469 0.839 0.601 0.928 0.623 CB 1.789 69 residues pruned to eliminate duplicates Z: 9 11.537 2.056 0.604 0.497 0.875 0.750 CA 1.418 9 residues pruned to eliminate duplicates Z: 23 37.912 2.356 0.851 0.533 1.000 0.500 CB 1.795 23 residues pruned to eliminate duplicates Z: 121 96.172 2.471 1.013 0.588 0.942 0.667 CB 1.722 121 residues pruned to eliminate duplicates Z: 52 65.225 2.479 0.895 0.652 0.961 0.725 CB 1.757 52 residues pruned to eliminate duplicates Z: 152 106.463 2.445 0.901 0.621 0.947 0.748 CB 1.755 152 residues pruned to eliminate duplicates Z: 86 77.808 2.458 0.947 0.579 0.941 0.635 CB 1.737 86 residues pruned to eliminate duplicates Z: 23 38.362 2.365 0.775 0.565 1.000 0.727 CB 1.829 23 residues pruned to eliminate duplicates Z: 86 77.032 2.459 0.969 0.574 0.941 0.635 CB 1.707 87 residues pruned to eliminate duplicates Z: 6 5.638 1.899 0.590 0.409 0.800 0.800 CA 1.148 6 residues pruned to eliminate duplicates Z: 101 91.276 2.489 1.017 0.598 0.940 0.680 CB 1.763 101 residues pruned to eliminate duplicates Z: 153 105.730 2.431 0.963 0.605 0.934 0.697 CB 1.741 153 residues pruned to eliminate duplicates Z: 151 105.084 2.461 0.926 0.609 0.927 0.700 CB 1.761 151 residues pruned to eliminate duplicates Z: 151 105.318 2.447 0.927 0.611 0.940 0.713 CB 1.745 151 residues pruned to eliminate duplicates Z: 99 87.335 2.510 0.955 0.595 0.929 0.643 CB 1.769 99 residues pruned to eliminate duplicates Z: 7 10.268 1.962 0.557 0.429 1.000 0.667 CA 1.477 7 residues pruned to eliminate duplicates Z: 153 102.948 2.428 0.915 0.603 0.941 0.684 CB 1.731 153 residues pruned to eliminate duplicates Z: 69 74.149 2.506 0.943 0.599 0.941 0.691 CB 1.785 69 residues pruned to eliminate duplicates Z: 151 103.874 2.452 0.904 0.606 0.947 0.700 CB 1.735 151 residues pruned to eliminate duplicates Z: 69 71.657 2.504 0.899 0.606 0.926 0.691 CB 1.783 69 residues pruned to eliminate duplicates Z: 109 93.682 2.500 1.043 0.596 0.926 0.704 CB 1.740 109 residues pruned to eliminate duplicates Z: 71 71.886 2.471 0.927 0.610 0.929 0.729 CB 1.751 71 residues pruned to eliminate duplicates Z: 152 102.850 2.444 0.917 0.601 0.927 0.715 CB 1.750 152 residues pruned to eliminate duplicates Z: 127 98.482 2.467 0.917 0.628 0.937 0.714 CB 1.756 127 residues pruned to eliminate duplicates Z: 152 102.526 2.441 0.918 0.607 0.921 0.709 CB 1.749 152 residues pruned to eliminate duplicates Z: 55 54.674 2.427 0.913 0.560 0.926 0.667 CB 1.632 55 residues pruned to eliminate duplicates Z: 120 99.901 2.496 1.079 0.579 0.933 0.714 CB 1.752 120 residues pruned to eliminate duplicates Z: 22 62.482 2.611 1.143 0.946 1.000 0.905 CB 1.685 22 residues pruned to eliminate duplicates Z: 84 75.646 2.483 0.999 0.576 0.916 0.627 CB 1.698 84 residues pruned to eliminate duplicates Z: 34 59.571 2.538 1.020 0.708 0.939 0.818 CB 1.782 34 residues pruned to eliminate duplicates Z: 128 98.398 2.449 0.952 0.610 0.937 0.693 CB 1.755 128 residues pruned to eliminate duplicates Z: 126 103.292 2.468 0.971 0.627 0.952 0.736 CB 1.771 126 residues pruned to eliminate duplicates Z: 67 76.340 2.517 1.030 0.601 0.939 0.697 CB 1.778 67 residues pruned to eliminate duplicates Z: 82 82.468 2.511 0.999 0.609 0.938 0.728 CB 1.755 82 residues pruned to eliminate duplicates Z: 112 89.570 2.493 0.988 0.581 0.919 0.721 CB 1.727 112 residues pruned to eliminate duplicates Z: 76 84.880 2.528 1.051 0.615 0.947 0.720 CB 1.791 76 residues pruned to eliminate duplicates Z: 76 79.268 2.515 1.007 0.591 0.933 0.667 CB 1.780 76 residues pruned to eliminate duplicates Z: 153 101.718 2.428 0.934 0.599 0.928 0.671 CB 1.724 153 residues pruned to eliminate duplicates Z: 100 92.207 2.503 1.106 0.600 0.919 0.677 CB 1.739 100 residues pruned to eliminate duplicates Z: 83 84.047 2.524 1.064 0.602 0.939 0.695 CB 1.722 83 residues pruned to eliminate duplicates Z: 152 105.194 2.447 0.945 0.611 0.934 0.715 CB 1.733 152 residues pruned to eliminate duplicates Z: 45 60.120 2.526 0.935 0.662 0.909 0.795 CB 1.756 45 residues pruned to eliminate duplicates Z: 24 30.113 2.204 0.771 0.517 0.913 0.478 CB 1.733 24 residues pruned to eliminate duplicates Z: 26 31.478 2.173 0.982 0.486 0.920 0.560 CB 1.611 26 residues pruned to eliminate duplicates Z: 26 30.761 2.191 0.811 0.515 0.920 0.560 CB 1.659 26 residues pruned to eliminate duplicates Z: 24 29.926 2.248 0.783 0.519 0.957 0.609 CB 1.596 24 residues pruned to eliminate duplicates Z: 26 31.443 2.185 0.893 0.525 0.880 0.560 CB 1.686 26 residues pruned to eliminate duplicates Z: 25 30.437 2.225 0.747 0.498 0.958 0.583 CB 1.671 25 residues pruned to eliminate duplicates Z: 22 37.250 2.328 0.861 0.584 0.952 0.619 CB 1.818 22 residues pruned to eliminate duplicates Z: 26 29.339 2.186 0.707 0.521 0.920 0.560 CB 1.674 26 residues pruned to eliminate duplicates Z: 27 33.949 2.182 0.859 0.544 0.962 0.615 CB 1.635 27 residues pruned to eliminate duplicates Z: 25 35.581 2.232 1.068 0.522 0.917 0.458 CB 1.679 25 residues pruned to eliminate duplicates Z: 26 32.696 2.180 1.007 0.531 0.920 0.600 CB 1.575 26 residues pruned to eliminate duplicates Z: 111 76.564 2.335 0.950 0.565 0.918 0.655 CB 1.639 111 residues pruned to eliminate duplicates Z: 26 30.989 2.177 0.922 0.524 0.920 0.640 CB 1.572 26 residues pruned to eliminate duplicates Z: 23 33.066 2.278 0.822 0.564 0.909 0.636 CB 1.756 23 residues pruned to eliminate duplicates Z: 25 30.676 2.219 0.741 0.515 0.958 0.625 CB 1.666 25 residues pruned to eliminate duplicates Z: 26 31.282 2.199 0.747 0.520 0.960 0.640 CB 1.664 26 residues pruned to eliminate duplicates Z: 27 32.341 2.166 0.897 0.507 0.923 0.577 CB 1.661 27 residues pruned to eliminate duplicates Z: 102 71.202 2.330 0.880 0.572 0.921 0.683 CB 1.638 102 residues pruned to eliminate duplicates Z: 112 69.611 2.282 0.854 0.546 0.928 0.658 CB 1.609 112 residues pruned to eliminate duplicates Z: 101 70.742 2.338 0.863 0.577 0.930 0.670 CB 1.623 101 residues pruned to eliminate duplicates Z: 113 74.794 2.295 0.878 0.571 0.946 0.661 CB 1.617 113 residues pruned to eliminate duplicates Z: 89 59.762 2.285 0.802 0.543 0.932 0.670 CB 1.591 89 residues pruned to eliminate duplicates Z: 72 59.189 2.299 0.886 0.582 0.930 0.662 CB 1.611 72 residues pruned to eliminate duplicates Z: 149 83.830 2.281 0.849 0.561 0.953 0.642 CB 1.617 149 residues pruned to eliminate duplicates Z: 85 58.937 2.260 0.834 0.590 0.905 0.667 CB 1.572 85 residues pruned to eliminate duplicates Z: 88 61.577 2.292 0.789 0.568 0.943 0.667 CB 1.599 88 residues pruned to eliminate duplicates Z: 110 75.251 2.326 0.916 0.579 0.945 0.697 CB 1.586 110 residues pruned to eliminate duplicates Z: 113 74.572 2.284 0.924 0.554 0.938 0.688 CB 1.622 113 residues pruned to eliminate duplicates Z: 121 79.852 2.307 0.944 0.567 0.933 0.667 CB 1.633 121 residues pruned to eliminate duplicates Z: 111 76.046 2.325 0.919 0.555 0.945 0.655 CB 1.630 111 residues pruned to eliminate duplicates Z: 150 85.952 2.294 0.855 0.579 0.940 0.678 CB 1.633 150 residues pruned to eliminate duplicates Z: 85 73.287 2.372 1.003 0.596 0.952 0.738 CB 1.612 85 residues pruned to eliminate duplicates Z: 112 74.682 2.303 0.906 0.564 0.955 0.640 CB 1.589 112 residues pruned to eliminate duplicates Z: 85 68.757 2.315 0.968 0.573 0.952 0.655 CB 1.612 85 residues pruned to eliminate duplicates Z: 45 52.981 2.354 0.944 0.629 0.977 0.773 CB 1.582 45 residues pruned to eliminate duplicates Z: 150 89.261 2.286 0.913 0.601 0.940 0.711 CB 1.617 150 residues pruned to eliminate duplicates Z: 112 77.060 2.293 0.959 0.568 0.937 0.694 CB 1.628 112 residues pruned to eliminate duplicates Z: 86 65.031 2.295 0.923 0.573 0.941 0.659 CB 1.582 86 residues pruned to eliminate duplicates Z: 112 79.657 2.310 1.015 0.572 0.946 0.667 CB 1.602 112 residues pruned to eliminate duplicates Z: 120 88.630 2.328 1.045 0.580 0.958 0.672 CB 1.650 120 residues pruned to eliminate duplicates Z: 20 65.447 2.573 1.204 0.944 1.000 0.947 CB 1.834 20 residues pruned to eliminate duplicates Z: 56 44.382 2.183 0.938 0.553 0.909 0.636 CB 1.477 56 residues pruned to eliminate duplicates Z: 72 63.392 2.297 0.977 0.586 0.958 0.676 CB 1.593 72 residues pruned to eliminate duplicates Z: 110 75.756 2.320 0.939 0.572 0.927 0.670 CB 1.623 110 residues pruned to eliminate duplicates Z: 120 84.090 2.314 1.008 0.564 0.950 0.664 CB 1.643 120 residues pruned to eliminate duplicates Z: 112 77.041 2.298 1.002 0.569 0.946 0.694 CB 1.572 112 residues pruned to eliminate duplicates Z: 94 82.698 2.358 1.138 0.608 0.946 0.667 CB 1.622 94 residues pruned to eliminate duplicates Z: 150 90.300 2.290 0.926 0.590 0.940 0.718 CB 1.638 150 residues pruned to eliminate duplicates Z: 21 60.186 2.507 1.161 0.942 1.000 0.700 CB 1.723 21 residues pruned to eliminate duplicates Z: 111 76.691 2.331 0.928 0.569 0.936 0.673 CB 1.625 111 residues pruned to eliminate duplicates Z: 84 71.441 2.373 0.976 0.589 0.952 0.675 CB 1.614 84 residues pruned to eliminate duplicates Z: 112 79.180 2.328 0.961 0.563 0.955 0.658 CB 1.622 112 residues pruned to eliminate duplicates Z: 87 65.137 2.304 0.981 0.553 0.930 0.593 CB 1.571 87 residues pruned to eliminate duplicates Z: 136 82.007 2.301 0.951 0.551 0.926 0.667 CB 1.617 136 residues pruned to eliminate duplicates Z: 112 77.945 2.308 0.943 0.576 0.946 0.640 CB 1.621 112 residues pruned to eliminate duplicates Z: 60 49.700 2.309 0.972 0.498 0.915 0.593 CB 1.556 60 residues pruned to eliminate duplicates Z: 150 88.962 2.284 0.912 0.596 0.940 0.671 CB 1.620 150 residues pruned to eliminate duplicates Z: 121 79.808 2.304 0.971 0.577 0.925 0.700 CB 1.611 121 residues pruned to eliminate duplicates Z: 99 71.970 2.281 1.031 0.567 0.929 0.673 CB 1.584 100 residues pruned to eliminate duplicates Z: 6 7.491 1.823 0.777 0.340 1.000 0.600 CA 1.232 6 residues pruned to eliminate duplicates Z: 70 53.854 2.282 0.951 0.501 0.913 0.609 CB 1.593 70 residues pruned to eliminate duplicates Z: 60 47.135 2.285 0.940 0.492 0.915 0.610 CB 1.524 60 residues pruned to eliminate duplicates Z: 114 74.116 2.275 1.025 0.553 0.920 0.673 CB 1.562 114 residues pruned to eliminate duplicates Z: 68 58.941 2.308 1.015 0.523 0.940 0.657 CB 1.610 68 residues pruned to eliminate duplicates Z: 52 44.788 2.287 0.977 0.479 0.922 0.569 CB 1.537 52 residues pruned to eliminate duplicates Z: 121 82.433 2.310 1.045 0.580 0.925 0.675 CB 1.595 121 residues pruned to eliminate duplicates Z: 59 50.917 2.307 0.995 0.517 0.914 0.638 CB 1.563 59 residues pruned to eliminate duplicates Z: 32 31.179 2.261 0.901 0.479 0.903 0.581 CB 1.474 32 residues pruned to eliminate duplicates Z: 40 49.198 2.342 1.054 0.558 0.923 0.718 CB 1.676 40 residues pruned to eliminate duplicates Z: 111 72.922 2.252 1.049 0.556 0.909 0.664 CB 1.570 111 residues pruned to eliminate duplicates Z: 115 78.133 2.302 1.059 0.565 0.921 0.684 CB 1.574 115 residues pruned to eliminate duplicates Z: 111 76.504 2.307 0.977 0.572 0.936 0.691 CB 1.593 111 residues pruned to eliminate duplicates Z: 103 61.153 2.259 1.005 0.522 0.902 0.618 CB 1.450 103 residues pruned to eliminate duplicates Z: 41 49.964 2.310 1.129 0.565 0.950 0.725 CB 1.588 41 residues pruned to eliminate duplicates Z: 39 49.893 2.368 0.998 0.536 0.974 0.711 CB 1.696 39 residues pruned to eliminate duplicates Z: 40 48.435 2.353 1.042 0.532 0.949 0.667 CB 1.649 40 residues pruned to eliminate duplicates Z: 112 78.248 2.308 1.049 0.570 0.937 0.631 CB 1.566 112 residues pruned to eliminate duplicates Z: 63 49.001 2.250 0.933 0.477 0.935 0.597 CB 1.566 63 residues pruned to eliminate duplicates Z: 143 82.724 2.252 0.942 0.576 0.944 0.725 CB 1.563 143 residues pruned to eliminate duplicates Z: 40 49.580 2.354 1.058 0.548 0.949 0.769 CB 1.649 40 residues pruned to eliminate duplicates Z: 50 59.124 2.311 1.084 0.585 0.939 0.714 CB 1.721 50 residues pruned to eliminate duplicates Z: 79 61.824 2.248 0.846 0.609 0.936 0.756 CB 1.625 79 residues pruned to eliminate duplicates Z: 42 46.084 2.282 1.067 0.540 0.927 0.634 CB 1.583 42 residues pruned to eliminate duplicates Z: 40 46.154 2.362 0.983 0.540 0.923 0.718 CB 1.643 40 residues pruned to eliminate duplicates Z: 69 58.134 2.309 1.075 0.510 0.926 0.647 CB 1.573 69 residues pruned to eliminate duplicates Z: 42 43.758 2.272 0.940 0.537 0.951 0.659 CB 1.571 42 residues pruned to eliminate duplicates Z: 52 54.028 2.265 1.047 0.536 0.941 0.608 CB 1.674 52 residues pruned to eliminate duplicates Z: 75 64.393 2.274 0.960 0.588 0.946 0.743 CB 1.632 75 residues pruned to eliminate duplicates Z: 61 50.382 2.312 1.028 0.492 0.917 0.667 CB 1.526 61 residues pruned to eliminate duplicates Z: 78 64.797 2.274 0.880 0.588 0.961 0.714 CB 1.652 78 residues pruned to eliminate duplicates Z: 150 88.313 2.284 0.948 0.591 0.940 0.685 CB 1.586 150 residues pruned to eliminate duplicates Z: 42 45.342 2.327 1.016 0.510 0.902 0.683 CB 1.657 42 residues pruned to eliminate duplicates Z: 19 16.858 2.085 0.721 0.375 0.833 0.500 CB 1.519 19 residues pruned to eliminate duplicates Z: 38 43.592 2.314 0.945 0.533 0.919 0.676 CB 1.678 38 residues pruned to eliminate duplicates Z: 29 42.041 2.435 1.042 0.552 0.893 0.643 CB 1.701 29 residues pruned to eliminate duplicates Z: 204 112.286 2.365 0.975 0.589 0.931 0.685 CB 1.664 297 residues pruned to eliminate duplicates Z: 6 10.602 1.954 0.760 0.539 1.000 0.600 C 1.326 6 residues pruned to eliminate duplicates Z: 152 105.457 2.447 0.967 0.614 0.921 0.709 CB 1.739 152 residues pruned to eliminate duplicates Z: 99 96.786 2.489 1.176 0.601 0.939 0.643 CB 1.747 99 residues pruned to eliminate duplicates Z: 85 77.967 2.459 1.011 0.586 0.929 0.726 CB 1.705 85 residues pruned to eliminate duplicates Z: 59 62.653 2.499 1.024 0.502 0.948 0.707 CB 1.713 59 residues pruned to eliminate duplicates Z: 103 79.851 2.402 0.908 0.591 0.931 0.706 CB 1.698 103 residues pruned to eliminate duplicates Z: 151 106.625 2.445 0.968 0.604 0.940 0.707 CB 1.744 151 residues pruned to eliminate duplicates Z: 103 82.629 2.408 0.981 0.596 0.922 0.706 CB 1.697 103 residues pruned to eliminate duplicates Z: 151 107.308 2.446 0.980 0.609 0.940 0.713 CB 1.735 151 residues pruned to eliminate duplicates Z: 101 90.350 2.490 1.011 0.594 0.940 0.690 CB 1.754 101 residues pruned to eliminate duplicates Z: 111 94.287 2.489 1.070 0.576 0.936 0.664 CB 1.732 111 residues pruned to eliminate duplicates Z: 119 101.792 2.499 1.093 0.592 0.941 0.712 CB 1.744 119 residues pruned to eliminate duplicates Z: 100 96.549 2.509 1.052 0.615 0.960 0.737 CB 1.762 100 residues pruned to eliminate duplicates Z: 111 92.871 2.483 1.050 0.573 0.945 0.682 CB 1.715 111 residues pruned to eliminate duplicates Z: 151 107.205 2.464 0.952 0.610 0.940 0.720 CB 1.745 151 residues pruned to eliminate duplicates Z: 53 53.681 2.390 0.987 0.480 0.942 0.596 CB 1.699 53 residues pruned to eliminate duplicates Z: 128 101.389 2.442 0.992 0.628 0.945 0.748 CB 1.735 128 residues pruned to eliminate duplicates Z: 151 110.043 2.459 0.980 0.627 0.940 0.733 CB 1.742 151 residues pruned to eliminate duplicates Z: 83 71.017 2.373 0.896 0.595 0.927 0.720 CB 1.718 83 residues pruned to eliminate duplicates Z: 151 101.902 2.433 0.945 0.594 0.933 0.687 CB 1.722 151 residues pruned to eliminate duplicates Z: 6 5.486 1.767 0.712 0.450 0.800 0.400 C 1.067 6 residues pruned to eliminate duplicates Z: 129 96.562 2.429 0.989 0.610 0.922 0.703 CB 1.727 129 residues pruned to eliminate duplicates Z: 16 24.642 2.322 1.064 0.423 0.933 0.533 CB 1.540 16 residues pruned to eliminate duplicates Z: 151 110.231 2.443 1.028 0.608 0.947 0.667 CB 1.731 151 residues pruned to eliminate duplicates Z: 45 51.068 2.350 1.248 0.546 0.886 0.659 CB 1.573 45 residues pruned to eliminate duplicates Z: 14 37.156 2.477 1.227 0.600 1.000 0.615 CB 1.699 14 residues pruned to eliminate duplicates Z: 103 83.450 2.407 0.961 0.574 0.941 0.696 CB 1.732 103 residues pruned to eliminate duplicates Z: 84 78.941 2.380 0.987 0.648 0.940 0.795 CB 1.698 84 residues pruned to eliminate duplicates Z: 43 61.856 2.444 1.319 0.575 0.952 0.690 CB 1.645 43 residues pruned to eliminate duplicates Z: 87 78.964 2.452 1.075 0.591 0.919 0.628 CB 1.670 87 residues pruned to eliminate duplicates Z: 151 107.334 2.441 0.986 0.607 0.940 0.727 CB 1.737 151 residues pruned to eliminate duplicates Z: 128 99.523 2.460 0.972 0.628 0.929 0.724 CB 1.738 128 residues pruned to eliminate duplicates Z: 112 90.637 2.473 1.086 0.571 0.919 0.685 CB 1.695 112 residues pruned to eliminate duplicates Z: 33 52.021 2.447 1.295 0.578 0.906 0.719 CB 1.676 33 residues pruned to eliminate duplicates Z: 78 61.265 2.262 0.854 0.561 0.935 0.701 CB 1.677 78 residues pruned to eliminate duplicates Z: 82 75.183 2.394 0.978 0.620 0.914 0.778 CB 1.725 82 residues pruned to eliminate duplicates Z: 153 103.596 2.402 1.001 0.602 0.947 0.664 CB 1.674 153 residues pruned to eliminate duplicates Z: 128 94.405 2.441 0.940 0.609 0.921 0.717 CB 1.731 128 residues pruned to eliminate duplicates Z: 72 65.456 2.370 0.870 0.591 0.930 0.761 CB 1.730 72 residues pruned to eliminate duplicates Z: 33 46.027 2.379 1.092 0.525 0.938 0.719 CB 1.702 33 residues pruned to eliminate duplicates Z: 54 61.114 2.441 1.255 0.524 0.906 0.660 CB 1.645 54 residues pruned to eliminate duplicates Z: 113 94.423 2.496 1.047 0.569 0.938 0.616 CB 1.743 113 residues pruned to eliminate duplicates Z: 34 45.382 2.405 1.194 0.530 0.909 0.667 CB 1.600 34 residues pruned to eliminate duplicates Z: 69 66.779 2.391 0.847 0.606 0.941 0.765 CB 1.763 69 residues pruned to eliminate duplicates Z: 100 95.066 2.510 1.053 0.609 0.960 0.768 CB 1.742 100 residues pruned to eliminate duplicates Z: 176 106.492 2.402 0.933 0.585 0.926 0.709 CB 1.726 151 residues pruned to eliminate duplicates Z: 6 7.640 2.051 0.767 0.650 0.800 0.600 CB 1.024 6 residues pruned to eliminate duplicates Z: 95 75.798 2.400 0.915 0.577 0.936 0.691 CB 1.686 95 residues pruned to eliminate duplicates Z: 152 105.729 2.444 0.939 0.610 0.934 0.715 CB 1.751 152 residues pruned to eliminate duplicates Z: 84 77.705 2.379 1.000 0.624 0.940 0.675 CB 1.696 84 residues pruned to eliminate duplicates Z: 85 73.222 2.362 0.976 0.605 0.940 0.738 CB 1.648 85 residues pruned to eliminate duplicates Z: 24 41.355 2.479 1.206 0.499 0.913 0.652 CB 1.729 24 residues pruned to eliminate duplicates Z: 152 102.918 2.432 0.958 0.594 0.934 0.682 CB 1.721 152 residues pruned to eliminate duplicates Z: 151 112.476 2.457 1.052 0.616 0.940 0.713 CB 1.735 151 residues pruned to eliminate duplicates Z: 153 104.861 2.430 1.018 0.590 0.928 0.717 CB 1.715 153 residues pruned to eliminate duplicates Z: 56 57.444 2.328 0.872 0.606 0.927 0.709 CB 1.733 56 residues pruned to eliminate duplicates Z: 152 112.066 2.448 1.068 0.624 0.927 0.709 CB 1.728 152 residues pruned to eliminate duplicates Z: 84 75.087 2.357 1.021 0.616 0.928 0.759 CB 1.671 84 residues pruned to eliminate duplicates Z: 46 48.980 2.293 0.653 0.672 0.933 0.822 CB 1.762 46 residues pruned to eliminate duplicates Z: 83 79.547 2.392 1.059 0.606 0.951 0.744 CB 1.696 83 residues pruned to eliminate duplicates Z: 48 48.705 2.238 0.719 0.676 0.936 0.745 CB 1.677 48 residues pruned to eliminate duplicates Z: 54 56.623 2.343 0.868 0.630 0.925 0.755 CB 1.701 54 residues pruned to eliminate duplicates Z: 47 45.927 2.264 0.685 0.653 0.891 0.761 CB 1.727 47 residues pruned to eliminate duplicates Z: 21 34.450 2.318 1.134 0.492 0.950 0.750 CB 1.652 21 residues pruned to eliminate duplicates Z: 46 50.315 2.279 0.780 0.649 0.933 0.778 CB 1.724 46 residues pruned to eliminate duplicates Z: 151 109.295 2.455 1.013 0.607 0.947 0.707 CB 1.722 151 residues pruned to eliminate duplicates Z: 46 49.293 2.260 0.747 0.677 0.933 0.822 CB 1.694 46 residues pruned to eliminate duplicates Z: 66 67.701 2.365 0.939 0.663 0.923 0.800 CB 1.705 66 residues pruned to eliminate duplicates Z: 47 47.566 2.242 0.825 0.653 0.891 0.783 CB 1.667 47 residues pruned to eliminate duplicates Z: 48 47.386 2.216 0.767 0.642 0.915 0.745 CB 1.691 48 residues pruned to eliminate duplicates Z: 32 42.415 2.278 0.519 0.749 1.000 0.806 CB 1.762 32 residues pruned to eliminate duplicates Z: 60 51.910 2.271 0.714 0.601 0.932 0.746 CB 1.691 60 residues pruned to eliminate duplicates Z: 83 72.504 2.378 0.976 0.595 0.939 0.720 CB 1.657 83 residues pruned to eliminate duplicates Z: 92 64.176 2.339 0.864 0.552 0.901 0.725 CB 1.628 92 residues pruned to eliminate duplicates Z: 84 71.402 2.370 0.961 0.601 0.928 0.687 CB 1.651 84 residues pruned to eliminate duplicates Z: 153 101.494 2.429 0.974 0.604 0.914 0.717 CB 1.701 153 residues pruned to eliminate duplicates Z: 83 73.086 2.379 0.939 0.599 0.939 0.732 CB 1.696 83 residues pruned to eliminate duplicates Z: 104 77.275 2.374 0.907 0.575 0.932 0.728 CB 1.679 104 residues pruned to eliminate duplicates Z: 47 50.350 2.238 0.770 0.686 0.935 0.804 CB 1.690 47 residues pruned to eliminate duplicates Z: 47 51.537 2.227 0.810 0.675 0.935 0.783 CB 1.716 47 residues pruned to eliminate duplicates Z: 44 54.957 2.308 0.760 0.704 0.977 0.814 CB 1.755 44 residues pruned to eliminate duplicates Z: 46 50.836 2.280 0.704 0.718 0.956 0.800 CB 1.675 46 residues pruned to eliminate duplicates Z: 127 99.812 2.455 0.975 0.628 0.952 0.722 CB 1.707 127 residues pruned to eliminate duplicates Z: 34 40.255 2.164 0.653 0.708 0.970 0.758 CB 1.672 34 residues pruned to eliminate duplicates Z: 95 63.966 2.258 0.847 0.557 0.915 0.681 CB 1.636 39 residues pruned to eliminate duplicates Z: 22 36.364 2.115 0.723 0.905 1.000 0.810 CB 1.551 22 residues pruned to eliminate duplicates Z: 46 51.313 2.288 0.749 0.691 0.956 0.800 CB 1.679 46 residues pruned to eliminate duplicates Z: 125 88.227 2.369 0.980 0.603 0.903 0.726 CB 1.695 125 residues pruned to eliminate duplicates Z: 70 62.574 2.350 0.827 0.599 0.942 0.696 CB 1.695 70 residues pruned to eliminate duplicates Z: 82 81.621 2.405 1.056 0.634 0.938 0.728 CB 1.723 82 residues pruned to eliminate duplicates Z: 52 47.336 2.216 0.701 0.660 0.902 0.725 CB 1.680 52 residues pruned to eliminate duplicates Z: 50 48.350 2.194 0.743 0.633 0.959 0.755 CB 1.662 50 residues pruned to eliminate duplicates Z: 48 54.856 2.268 0.891 0.665 0.936 0.745 CB 1.711 48 residues pruned to eliminate duplicates Z: 153 100.557 2.412 1.010 0.595 0.914 0.671 CB 1.680 153 residues pruned to eliminate duplicates Z: 46 58.004 2.285 0.947 0.697 0.956 0.711 CB 1.700 46 residues pruned to eliminate duplicates Z: 68 67.170 2.295 0.976 0.621 0.925 0.687 CB 1.744 68 residues pruned to eliminate duplicates Z: 84 67.895 2.336 0.950 0.584 0.928 0.699 CB 1.627 84 residues pruned to eliminate duplicates Z: 100 73.817 2.340 1.043 0.572 0.929 0.677 CB 1.558 100 residues pruned to eliminate duplicates Z: 41 40.252 2.287 0.951 0.503 0.925 0.550 CB 1.538 41 residues pruned to eliminate duplicates Z: 112 77.300 2.315 1.019 0.560 0.919 0.676 CB 1.612 112 residues pruned to eliminate duplicates Z: 49 56.686 2.330 1.100 0.566 0.938 0.688 CB 1.674 49 residues pruned to eliminate duplicates Z: 79 59.069 2.260 0.835 0.560 0.936 0.744 CB 1.626 79 residues pruned to eliminate duplicates Z: 59 49.976 2.343 1.020 0.487 0.897 0.690 CB 1.567 59 residues pruned to eliminate duplicates Z: 78 60.629 2.277 0.853 0.557 0.935 0.727 CB 1.657 78 residues pruned to eliminate duplicates Z: 151 86.812 2.276 0.910 0.585 0.933 0.707 CB 1.611 151 residues pruned to eliminate duplicates Z: 53 49.405 2.249 0.932 0.522 0.942 0.692 CB 1.638 53 residues pruned to eliminate duplicates Z: 12 19.419 1.976 1.234 0.515 0.818 0.545 CA 1.596 Z: 6 12.641 1.752 1.754 0.409 1.000 0.800 CA 1.289 6 residues pruned to eliminate duplicates Z: 12 21.761 2.148 1.148 0.599 0.818 0.636 CA 1.582 12 residues pruned to eliminate duplicates Z: 6 8.725 1.973 0.797 0.365 1.000 0.600 CA 1.273 Z: 18 27.817 2.097 0.611 0.807 1.000 0.765 CB 1.528 4 residues pruned to eliminate duplicates Z: 18 25.064 2.058 0.505 0.780 0.941 0.824 CB 1.629 18 residues pruned to eliminate duplicates Z: 16 27.560 2.116 0.577 0.900 1.000 0.867 CB 1.524 16 residues pruned to eliminate duplicates Z: 30 31.550 2.108 0.616 0.622 0.966 0.759 CB 1.588 20 residues pruned to eliminate duplicates Z: 17 30.895 2.046 0.721 0.888 1.000 0.875 CB 1.580 18 residues pruned to eliminate duplicates Z: 17 25.931 2.050 0.625 0.877 0.938 0.750 CB 1.508 17 residues pruned to eliminate duplicates Z: 41 41.010 2.165 0.716 0.634 0.975 0.800 CB 1.579 41 residues pruned to eliminate duplicates Z: 18 29.088 2.003 0.623 0.893 1.000 0.824 CB 1.558 18 residues pruned to eliminate duplicates Z: 41 39.604 2.157 0.725 0.633 0.950 0.825 CB 1.564 41 residues pruned to eliminate duplicates Z: 17 26.381 2.068 0.446 0.883 1.000 0.812 CB 1.595 17 residues pruned to eliminate duplicates Z: 79 57.391 2.245 0.843 0.573 0.923 0.705 CB 1.586 120 residues pruned to eliminate duplicates Z: 82 52.860 2.220 0.754 0.540 0.926 0.691 CB 1.566 82 residues pruned to eliminate duplicates Z: 78 60.466 2.271 0.864 0.567 0.948 0.727 CB 1.609 78 residues pruned to eliminate duplicates Z: 79 59.990 2.258 0.823 0.578 0.949 0.744 CB 1.613 79 residues pruned to eliminate duplicates Z: 139 80.577 2.272 0.907 0.579 0.928 0.710 CB 1.583 139 residues pruned to eliminate duplicates Z: 29 31.507 2.156 0.591 0.643 0.964 0.786 CB 1.575 Z: 19 27.591 1.898 0.630 0.890 1.000 0.778 CB 1.512 17 residues pruned to eliminate duplicates Z: 23 38.646 2.365 0.434 0.919 1.000 0.955 CB 1.712 23 residues pruned to eliminate duplicates Z: 32 38.070 2.250 0.582 0.690 0.968 0.806 CB 1.668 32 residues pruned to eliminate duplicates Z: 43 43.988 2.282 0.694 0.629 0.929 0.690 CB 1.674 43 residues pruned to eliminate duplicates Z: 44 50.013 2.269 0.731 0.666 1.000 0.698 CB 1.666 43 residues pruned to eliminate duplicates Z: 22 41.219 2.337 0.657 0.944 1.000 0.857 CB 1.609 22 residues pruned to eliminate duplicates Z: 82 65.937 2.265 0.891 0.607 0.963 0.765 CB 1.605 82 residues pruned to eliminate duplicates Z: 85 59.552 2.200 0.815 0.592 0.952 0.679 CB 1.565 85 residues pruned to eliminate duplicates Z: 105 64.293 2.198 0.844 0.601 0.933 0.740 CB 1.514 105 residues pruned to eliminate duplicates Z: 93 62.273 2.216 0.862 0.572 0.935 0.663 CB 1.569 93 residues pruned to eliminate duplicates Z: 75 60.626 2.231 0.853 0.616 0.946 0.662 CB 1.615 75 residues pruned to eliminate duplicates Z: 49 46.501 2.201 0.757 0.624 0.958 0.604 CB 1.611 49 residues pruned to eliminate duplicates Z: 106 62.836 2.190 0.877 0.564 0.933 0.657 CB 1.502 106 residues pruned to eliminate duplicates Z: 43 53.844 2.272 0.917 0.680 0.976 0.690 CB 1.656 43 residues pruned to eliminate duplicates Z: 21 58.958 2.369 1.250 0.944 1.000 0.900 CB 1.714 21 residues pruned to eliminate duplicates Z: 74 63.686 2.258 0.889 0.621 0.973 0.644 CB 1.603 74 residues pruned to eliminate duplicates Z: 75 59.901 2.239 0.840 0.614 0.946 0.595 CB 1.604 75 residues pruned to eliminate duplicates Z: 22 50.594 2.338 1.049 0.942 1.000 0.857 CB 1.598 22 residues pruned to eliminate duplicates Z: 30 40.646 2.204 0.901 0.712 0.931 0.759 CB 1.597 30 residues pruned to eliminate duplicates Z: 74 66.530 2.261 0.995 0.619 0.945 0.630 CB 1.632 74 residues pruned to eliminate duplicates Z: 22 53.956 2.341 1.178 0.937 1.000 0.810 CB 1.607 22 residues pruned to eliminate duplicates Z: 60 55.970 2.215 0.952 0.598 0.949 0.678 CB 1.618 60 residues pruned to eliminate duplicates Z: 45 52.857 2.226 0.930 0.665 0.977 0.705 CB 1.629 45 residues pruned to eliminate duplicates Z: 29 42.455 2.233 0.952 0.741 0.929 0.821 CB 1.597 29 residues pruned to eliminate duplicates Z: 30 39.932 2.216 0.837 0.724 0.931 0.690 CB 1.599 30 residues pruned to eliminate duplicates Z: 105 67.387 2.217 0.871 0.594 0.952 0.692 CB 1.529 106 residues pruned to eliminate duplicates Z: 7 7.243 1.865 0.391 0.402 0.833 0.667 CA 1.516 7 residues pruned to eliminate duplicates Z: 50 43.032 2.206 0.958 0.534 0.918 0.592 CB 1.499 50 residues pruned to eliminate duplicates Z: 51 41.571 2.195 0.817 0.488 0.940 0.560 CB 1.587 51 residues pruned to eliminate duplicates Z: 44 48.767 2.276 0.853 0.650 0.953 0.651 CB 1.608 44 residues pruned to eliminate duplicates Z: 106 67.780 2.197 0.923 0.598 0.943 0.695 CB 1.513 106 residues pruned to eliminate duplicates Z: 94 70.893 2.252 0.963 0.604 0.946 0.677 CB 1.592 94 residues pruned to eliminate duplicates Z: 6 3.613 1.573 0.803 0.355 0.800 0.600 CB 0.833 6 residues pruned to eliminate duplicates Z: 106 63.805 2.186 0.840 0.591 0.943 0.657 CB 1.504 106 residues pruned to eliminate duplicates Z: 16 16.991 2.110 0.823 0.472 0.867 0.600 CB 1.355 16 residues pruned to eliminate duplicates Z: 69 48.647 2.196 0.897 0.531 0.897 0.603 CB 1.532 69 residues pruned to eliminate duplicates Z: 66 42.219 2.106 0.884 0.515 0.923 0.692 CB 1.408 66 residues pruned to eliminate duplicates Z: 63 46.009 2.169 0.925 0.547 0.919 0.694 CB 1.454 63 residues pruned to eliminate duplicates Z: 81 46.288 2.161 0.776 0.508 0.925 0.625 CB 1.445 81 residues pruned to eliminate duplicates Z: 49 45.297 2.230 0.944 0.545 0.896 0.646 CB 1.611 49 residues pruned to eliminate duplicates Z: 64 46.472 2.133 1.008 0.554 0.921 0.651 CB 1.409 64 residues pruned to eliminate duplicates Z: 53 44.897 2.187 1.050 0.556 0.904 0.692 CB 1.454 53 residues pruned to eliminate duplicates Z: 64 44.178 2.128 0.916 0.540 0.937 0.635 CB 1.401 64 residues pruned to eliminate duplicates Z: 48 43.279 2.248 0.847 0.517 0.936 0.596 CB 1.597 48 residues pruned to eliminate duplicates Z: 33 30.175 2.159 0.817 0.526 0.906 0.719 CB 1.462 33 residues pruned to eliminate duplicates Z: 32 36.096 2.204 0.973 0.570 0.903 0.613 CB 1.543 32 residues pruned to eliminate duplicates Z: 34 34.198 2.182 0.909 0.556 0.909 0.606 CB 1.490 34 residues pruned to eliminate duplicates Z: 65 41.579 2.097 0.892 0.524 0.922 0.641 CB 1.388 65 residues pruned to eliminate duplicates Z: 75 59.539 2.231 0.865 0.625 0.932 0.757 CB 1.586 75 residues pruned to eliminate duplicates Z: 16 32.150 2.339 0.927 0.594 0.933 0.667 CA 1.804 16 residues pruned to eliminate duplicates Z: 51 39.437 2.127 0.866 0.560 0.940 0.680 CB 1.410 51 residues pruned to eliminate duplicates Z: 52 33.685 2.100 0.760 0.512 0.922 0.608 CB 1.368 52 residues pruned to eliminate duplicates Z: 106 64.493 2.189 0.972 0.560 0.933 0.638 CB 1.473 106 residues pruned to eliminate duplicates Z: 6 4.122 1.670 0.503 0.370 0.800 0.400 CA 1.056 6 residues pruned to eliminate duplicates Z: 74 60.160 2.219 0.938 0.621 0.945 0.644 CB 1.545 73 residues pruned to eliminate duplicates Z: 6 3.811 1.567 0.299 0.400 0.800 0.400 CA 1.163 6 residues pruned to eliminate duplicates Z: 31 35.300 2.272 0.989 0.501 0.933 0.600 CB 1.527 31 residues pruned to eliminate duplicates Z: 64 43.106 2.134 0.968 0.523 0.921 0.667 CB 1.373 64 residues pruned to eliminate duplicates Z: 63 42.507 2.157 0.880 0.531 0.903 0.661 CB 1.430 63 residues pruned to eliminate duplicates Z: 51 37.137 2.092 0.841 0.532 0.920 0.660 CB 1.437 51 residues pruned to eliminate duplicates Z: 63 39.722 2.145 0.842 0.502 0.903 0.661 CB 1.411 63 residues pruned to eliminate duplicates Z: 32 25.595 2.049 0.842 0.531 0.935 0.710 CB 1.263 32 residues pruned to eliminate duplicates Z: 32 24.289 2.011 0.777 0.549 0.935 0.710 CB 1.244 32 residues pruned to eliminate duplicates Z: 20 23.365 2.055 1.005 0.530 0.947 0.684 CB 1.333 20 residues pruned to eliminate duplicates Z: 31 25.968 2.060 0.801 0.522 0.933 0.667 CB 1.340 31 residues pruned to eliminate duplicates Z: 52 37.933 2.114 0.886 0.528 0.902 0.686 CB 1.437 52 residues pruned to eliminate duplicates Z: 32 27.519 2.039 0.858 0.527 0.968 0.710 CB 1.313 32 residues pruned to eliminate duplicates Z: 32 22.417 2.020 0.759 0.517 0.871 0.581 CB 1.279 32 residues pruned to eliminate duplicates Z: 32 22.957 2.031 0.773 0.495 0.871 0.677 CB 1.321 32 residues pruned to eliminate duplicates Z: 62 41.234 2.147 0.795 0.503 0.951 0.607 CB 1.437 62 residues pruned to eliminate duplicates Z: 52 33.350 2.091 0.777 0.479 0.922 0.627 CB 1.394 52 residues pruned to eliminate duplicates Z: 26 22.944 1.994 0.899 0.562 0.920 0.640 CB 1.241 26 residues pruned to eliminate duplicates Z: 26 24.018 2.056 0.788 0.620 0.960 0.680 CB 1.215 26 residues pruned to eliminate duplicates Z: 64 46.514 2.150 1.008 0.551 0.921 0.714 CB 1.403 64 residues pruned to eliminate duplicates Z: 26 24.357 2.067 0.861 0.609 0.920 0.680 CB 1.241 26 residues pruned to eliminate duplicates Z: 55 42.239 2.094 0.822 0.620 0.944 0.759 CB 1.425 55 residues pruned to eliminate duplicates Z: 106 66.033 2.198 0.910 0.602 0.943 0.733 CB 1.477 106 residues pruned to eliminate duplicates Z: 59 27.014 1.807 0.707 0.615 0.948 0.672 CB 1.087 57 residues pruned to eliminate duplicates Z: 7 2.189 1.604 0.388 0.296 0.667 0.333 CB 0.756 7 residues pruned to eliminate duplicates Z: 62 45.590 2.150 0.935 0.543 0.967 0.721 CB 1.392 62 residues pruned to eliminate duplicates Z: 64 41.502 2.141 0.873 0.523 0.921 0.714 CB 1.384 64 residues pruned to eliminate duplicates Z: 63 40.578 2.098 0.918 0.543 0.903 0.774 CB 1.360 63 residues pruned to eliminate duplicates Z: 28 21.609 1.982 0.884 0.556 0.926 0.593 CB 1.139 28 residues pruned to eliminate duplicates Z: 12 12.575 1.971 0.428 0.593 1.000 0.636 CB 1.233 12 residues pruned to eliminate duplicates Z: 32 25.050 2.033 0.783 0.535 0.935 0.742 CB 1.281 32 residues pruned to eliminate duplicates Z: 25 23.792 2.081 0.876 0.582 0.917 0.708 CB 1.254 25 residues pruned to eliminate duplicates Z: 33 23.868 2.004 0.800 0.484 0.938 0.656 CB 1.267 33 residues pruned to eliminate duplicates Z: 51 28.513 1.841 0.693 0.636 0.960 0.700 CB 1.186 50 residues pruned to eliminate duplicates Z: 19 12.227 1.525 0.434 0.846 0.944 0.778 CB 1.036 19 residues pruned to eliminate duplicates Z: 32 15.191 1.686 0.455 0.675 0.935 0.613 CB 1.012 32 residues pruned to eliminate duplicates Z: 45 23.851 1.790 0.670 0.639 0.932 0.636 CB 1.133 45 residues pruned to eliminate duplicates Z: 18 14.699 1.555 0.579 0.892 1.000 0.647 CB 1.044 19 residues pruned to eliminate duplicates Z: 17 13.622 1.584 0.579 0.841 0.938 0.625 CB 1.082 17 residues pruned to eliminate duplicates Z: 82 48.188 2.025 0.851 0.646 0.926 0.654 CB 1.346 82 residues pruned to eliminate duplicates Z: 124 66.915 2.104 0.858 0.627 0.967 0.683 CB 1.416 124 residues pruned to eliminate duplicates Z: 99 49.855 2.035 0.872 0.539 0.939 0.622 CB 1.355 99 residues pruned to eliminate duplicates Z: 52 27.738 1.833 0.677 0.621 0.941 0.647 CB 1.198 52 residues pruned to eliminate duplicates Z: 83 43.754 1.990 0.783 0.590 0.951 0.707 CB 1.312 82 residues pruned to eliminate duplicates Z: 16 14.906 1.637 0.509 0.890 1.000 0.800 CB 1.121 16 residues pruned to eliminate duplicates Z: 49 25.433 1.855 0.624 0.605 0.958 0.667 CB 1.151 49 residues pruned to eliminate duplicates Z: 17 13.431 1.601 0.410 0.868 1.000 0.688 CB 1.087 17 residues pruned to eliminate duplicates Z: 17 13.732 1.602 0.466 0.867 1.000 0.625 CB 1.070 17 residues pruned to eliminate duplicates Z: 32 16.459 1.683 0.427 0.653 0.968 0.581 CB 1.103 32 residues pruned to eliminate duplicates Z: 84 45.284 2.011 0.863 0.589 0.928 0.699 CB 1.313 84 residues pruned to eliminate duplicates Z: 32 15.878 1.672 0.485 0.664 0.935 0.710 CB 1.055 32 residues pruned to eliminate duplicates Z: 83 43.701 1.993 0.821 0.585 0.939 0.695 CB 1.306 83 residues pruned to eliminate duplicates Z: 16 16.310 1.630 0.737 0.891 1.000 0.733 CB 1.069 16 residues pruned to eliminate duplicates Z: 18 19.042 1.918 0.629 0.591 1.000 0.765 CB 1.355 18 residues pruned to eliminate duplicates Z: 8 8.304 1.840 0.375 0.556 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 15 11.221 1.803 0.405 0.498 0.857 0.643 CB 1.384 15 residues pruned to eliminate duplicates Z: 19 14.057 1.770 0.436 0.466 0.944 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 24 15.886 1.784 0.548 0.551 0.957 0.652 CB 1.193 18 residues pruned to eliminate duplicates Z: 6 8.056 1.917 0.272 0.701 1.000 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 16 14.599 1.885 0.477 0.513 1.000 0.533 CB 1.337 16 residues pruned to eliminate duplicates Z: 20 15.016 1.776 0.544 0.540 0.947 0.684 CB 1.275 20 residues pruned to eliminate duplicates Z: 18 18.549 1.917 0.564 0.587 1.000 0.647 CB 1.380 18 residues pruned to eliminate duplicates Z: 19 16.771 1.814 0.574 0.552 0.944 0.611 CB 1.394 19 residues pruned to eliminate duplicates Z: 20 16.833 1.783 0.645 0.554 0.947 0.684 CB 1.318 20 residues pruned to eliminate duplicates Z: 17 18.897 1.926 0.628 0.562 0.938 0.625 CB 1.513 17 residues pruned to eliminate duplicates Z: 19 17.794 1.830 0.679 0.553 0.944 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 18 18.467 1.904 0.698 0.575 0.941 0.647 CB 1.369 18 residues pruned to eliminate duplicates Z: 19 15.573 1.865 0.466 0.555 0.944 0.722 CB 1.348 19 residues pruned to eliminate duplicates 391 residues left after pruning, divided into chains as follows: A: 7 B: 204 C: 31 D: 125 E: 24 CC for partial structure against native data = 37.74 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.530, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.610, Connect. = 0.802 for dens.mod. cycle 2 = 0.300, Contrast = 0.729, Connect. = 0.827 for dens.mod. cycle 3 = 0.300, Contrast = 0.744, Connect. = 0.829 for dens.mod. cycle 4 = 0.300, Contrast = 0.760, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 0.770, Connect. = 0.832 for dens.mod. cycle 6 = 0.300, Contrast = 0.778, Connect. = 0.833 for dens.mod. cycle 7 = 0.300, Contrast = 0.784, Connect. = 0.834 for dens.mod. cycle 8 = 0.300, Contrast = 0.788, Connect. = 0.835 for dens.mod. cycle 9 = 0.300, Contrast = 0.791, Connect. = 0.836 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2416 peaks > 0.5 sigma used to seed fragment search Space for about 582 unique residues taking solvent into account 542 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 34.056 2.178 0.416 0.930 1.000 0.952 CB 1.686 B: 21 48.069 2.421 0.781 0.954 1.000 0.900 CB 1.714 C: 20 53.941 2.587 0.814 0.954 1.000 0.947 CB 1.814 D: 21 52.340 2.383 0.952 0.939 1.000 0.800 CB 1.748 21 residues pruned to eliminate duplicates E: 22 41.686 2.392 0.785 0.902 0.952 0.857 CB 1.596 F: 127 100.472 2.440 0.971 0.632 0.944 0.730 CB 1.741 43 residues pruned to eliminate duplicates G: 21 58.713 2.539 1.104 0.941 1.000 0.850 CB 1.705 20 residues pruned to eliminate duplicates H: 22 45.199 2.371 0.764 0.955 1.000 0.952 CB 1.621 22 residues pruned to eliminate duplicates I: 31 33.756 2.268 0.879 0.522 0.933 0.633 CB 1.516 J: 22 45.262 2.422 0.735 0.925 1.000 0.762 CB 1.649 22 residues pruned to eliminate duplicates K: 21 45.713 2.378 0.693 0.935 1.000 0.950 CB 1.769 21 residues pruned to eliminate duplicates L: 86 77.563 2.362 1.003 0.615 0.941 0.694 CB 1.693 85 residues pruned to eliminate duplicates M: 22 37.967 2.368 0.914 0.575 0.952 0.571 CB 1.785 N: 22 41.765 2.414 0.783 0.910 0.952 0.810 CB 1.577 22 residues pruned to eliminate duplicates O: 22 46.533 2.369 0.799 0.941 1.000 0.857 CB 1.654 21 residues pruned to eliminate duplicates P: 22 45.334 2.426 0.798 0.940 1.000 0.952 CB 1.575 22 residues pruned to eliminate duplicates Q: 22 37.595 2.403 0.623 0.931 0.952 0.905 CB 1.544 22 residues pruned to eliminate duplicates R: 101 74.388 2.375 0.909 0.575 0.940 0.700 CB 1.624 43 residues pruned to eliminate duplicates S: 154 98.315 2.382 0.938 0.609 0.922 0.673 CB 1.685 129 residues pruned to eliminate duplicates T: 85 84.018 2.382 1.039 0.638 0.952 0.679 CB 1.742 85 residues pruned to eliminate duplicates U: 21 43.743 2.489 0.733 0.935 0.950 0.950 CB 1.663 21 residues pruned to eliminate duplicates V: 49 54.172 2.213 0.766 0.705 0.958 0.792 CB 1.732 49 residues pruned to eliminate duplicates W: 120 91.998 2.415 1.000 0.602 0.941 0.723 CB 1.684 119 residues pruned to eliminate duplicates X: 21 52.274 2.391 0.893 0.944 1.000 0.950 CB 1.789 22 residues pruned to eliminate duplicates Y: 83 79.613 2.442 0.927 0.615 0.939 0.744 CB 1.785 85 residues pruned to eliminate duplicates Z: 21 59.707 2.534 1.117 0.955 1.000 0.900 CB 1.710 21 residues pruned to eliminate duplicates Z: 22 53.168 2.445 1.085 0.938 0.952 0.905 CB 1.662 22 residues pruned to eliminate duplicates Z: 21 58.302 2.538 1.113 0.925 1.000 0.950 CB 1.707 21 residues pruned to eliminate duplicates Z: 20 70.775 2.567 1.430 0.958 1.000 0.842 CB 1.785 20 residues pruned to eliminate duplicates Z: 152 97.424 2.397 0.913 0.605 0.914 0.689 CB 1.712 152 residues pruned to eliminate duplicates Z: 20 42.186 2.547 0.473 0.935 1.000 0.895 CB 1.797 20 residues pruned to eliminate duplicates Z: 21 58.962 2.534 1.118 0.931 1.000 0.750 CB 1.717 21 residues pruned to eliminate duplicates Z: 22 41.835 2.368 0.604 0.946 1.000 0.952 CB 1.662 22 residues pruned to eliminate duplicates Z: 21 53.550 2.532 0.940 0.940 1.000 0.850 CB 1.693 21 residues pruned to eliminate duplicates Z: 21 45.665 2.543 0.651 0.906 1.000 0.900 CB 1.729 21 residues pruned to eliminate duplicates Z: 53 35.365 2.121 0.857 0.504 0.865 0.596 CB 1.433 21 residues pruned to eliminate duplicates Z: 101 80.391 2.379 1.019 0.582 0.940 0.730 CB 1.645 101 residues pruned to eliminate duplicates Z: 30 33.201 2.218 0.937 0.562 0.897 0.552 CB 1.507 30 residues pruned to eliminate duplicates Z: 19 23.973 2.268 0.653 0.505 0.889 0.611 CB 1.688 19 residues pruned to eliminate duplicates Z: 21 58.784 2.540 1.121 0.929 1.000 0.900 CB 1.707 21 residues pruned to eliminate duplicates Z: 48 51.921 2.301 0.648 0.680 0.957 0.809 CB 1.768 48 residues pruned to eliminate duplicates Z: 50 51.115 2.381 1.013 0.494 0.939 0.592 CB 1.632 49 residues pruned to eliminate duplicates Z: 74 68.916 2.363 0.910 0.610 0.932 0.712 CB 1.729 74 residues pruned to eliminate duplicates Z: 51 51.444 2.339 1.001 0.540 0.900 0.640 CB 1.661 51 residues pruned to eliminate duplicates Z: 48 39.267 2.063 0.674 0.589 0.957 0.681 CB 1.591 Z: 23 38.467 2.142 0.698 0.930 1.000 0.864 CB 1.577 23 residues pruned to eliminate duplicates Z: 22 43.226 2.366 0.746 0.923 1.000 0.857 CB 1.605 22 residues pruned to eliminate duplicates Z: 26 30.236 2.176 0.811 0.526 0.960 0.720 CB 1.558 26 residues pruned to eliminate duplicates Z: 21 36.899 2.359 0.411 0.933 1.000 1.000 CB 1.731 21 residues pruned to eliminate duplicates Z: 46 54.032 2.325 0.737 0.695 0.933 0.800 CB 1.788 46 residues pruned to eliminate duplicates Z: 20 55.294 2.582 0.851 0.949 1.000 1.000 CB 1.832 20 residues pruned to eliminate duplicates Z: 52 37.615 2.113 0.875 0.518 0.902 0.647 CB 1.448 50 residues pruned to eliminate duplicates Z: 41 32.274 2.160 0.822 0.534 0.900 0.675 CB 1.393 41 residues pruned to eliminate duplicates Z: 22 54.073 2.433 1.059 0.943 1.000 0.905 CB 1.632 22 residues pruned to eliminate duplicates Z: 21 50.958 2.404 0.827 0.959 1.000 0.950 CB 1.779 21 residues pruned to eliminate duplicates Z: 24 34.748 2.281 0.722 0.576 1.000 0.565 CB 1.714 24 residues pruned to eliminate duplicates Z: 177 100.992 2.373 0.925 0.595 0.915 0.705 CB 1.663 177 residues pruned to eliminate duplicates Z: 21 40.827 2.347 0.588 0.924 1.000 0.950 CB 1.720 21 residues pruned to eliminate duplicates Z: 22 37.006 2.407 0.651 0.915 0.905 0.905 CB 1.587 22 residues pruned to eliminate duplicates Z: 22 50.259 2.433 1.023 0.927 0.952 0.905 CB 1.640 22 residues pruned to eliminate duplicates Z: 21 49.886 2.522 0.834 0.929 1.000 0.900 CB 1.688 21 residues pruned to eliminate duplicates Z: 22 37.879 2.391 0.495 0.938 1.000 0.905 CB 1.608 22 residues pruned to eliminate duplicates Z: 22 36.390 2.156 0.620 0.924 1.000 1.000 CB 1.597 22 residues pruned to eliminate duplicates Z: 30 31.009 2.119 0.515 0.651 0.966 0.724 CB 1.615 29 residues pruned to eliminate duplicates Z: 22 27.326 2.199 1.012 0.545 0.857 0.667 CB 1.504 22 residues pruned to eliminate duplicates Z: 21 58.384 2.505 1.126 0.950 1.000 0.900 CB 1.690 21 residues pruned to eliminate duplicates Z: 22 55.170 2.426 1.177 0.940 1.000 0.810 CB 1.583 22 residues pruned to eliminate duplicates Z: 22 53.228 2.434 1.041 0.941 1.000 0.762 CB 1.623 22 residues pruned to eliminate duplicates Z: 153 103.850 2.394 0.968 0.623 0.941 0.717 CB 1.692 154 residues pruned to eliminate duplicates Z: 32 38.150 2.226 1.031 0.568 0.935 0.710 CB 1.517 32 residues pruned to eliminate duplicates Z: 30 34.983 2.229 1.036 0.605 0.897 0.655 CB 1.444 30 residues pruned to eliminate duplicates Z: 32 36.133 2.247 0.948 0.542 0.935 0.677 CB 1.520 32 residues pruned to eliminate duplicates Z: 21 59.072 2.539 1.178 0.910 1.000 0.800 CB 1.694 21 residues pruned to eliminate duplicates Z: 20 58.745 2.563 1.096 0.918 1.000 0.737 CB 1.769 20 residues pruned to eliminate duplicates Z: 102 77.227 2.324 1.058 0.572 0.941 0.604 CB 1.593 103 residues pruned to eliminate duplicates Z: 73 67.013 2.309 0.909 0.614 0.958 0.694 CB 1.678 52 residues pruned to eliminate duplicates Z: 7 12.392 2.255 0.417 0.726 0.833 0.667 CA 1.550 7 residues pruned to eliminate duplicates Z: 22 43.832 2.431 0.985 0.891 0.905 0.810 CB 1.576 22 residues pruned to eliminate duplicates Z: 31 30.780 2.216 0.759 0.511 0.933 0.667 CB 1.528 31 residues pruned to eliminate duplicates Z: 47 50.483 2.280 0.697 0.659 0.957 0.783 CB 1.736 47 residues pruned to eliminate duplicates Z: 48 37.998 2.074 0.628 0.584 0.957 0.766 CB 1.581 48 residues pruned to eliminate duplicates Z: 103 91.825 2.457 0.981 0.616 0.951 0.745 CB 1.761 103 residues pruned to eliminate duplicates Z: 21 54.174 2.496 0.971 0.947 1.000 0.900 CB 1.701 21 residues pruned to eliminate duplicates Z: 22 54.229 2.384 1.189 0.948 1.000 0.571 CB 1.565 22 residues pruned to eliminate duplicates Z: 152 97.150 2.401 0.906 0.600 0.940 0.675 CB 1.670 152 residues pruned to eliminate duplicates Z: 58 48.272 2.284 0.979 0.499 0.895 0.614 CB 1.584 58 residues pruned to eliminate duplicates Z: 25 29.150 2.184 0.752 0.522 0.958 0.583 CB 1.588 25 residues pruned to eliminate duplicates Z: 58 58.396 2.288 1.087 0.562 0.930 0.737 CB 1.641 58 residues pruned to eliminate duplicates Z: 152 101.559 2.410 0.930 0.615 0.927 0.728 CB 1.719 152 residues pruned to eliminate duplicates Z: 21 58.766 2.382 1.166 0.951 1.000 0.750 CB 1.755 25 residues pruned to eliminate duplicates Z: 135 96.861 2.421 0.952 0.627 0.925 0.731 CB 1.699 135 residues pruned to eliminate duplicates Z: 28 35.597 2.187 0.574 0.719 0.963 0.704 CB 1.696 28 residues pruned to eliminate duplicates Z: 128 102.678 2.437 1.007 0.641 0.937 0.748 CB 1.742 128 residues pruned to eliminate duplicates Z: 49 55.369 2.254 0.839 0.720 0.917 0.771 CB 1.723 49 residues pruned to eliminate duplicates Z: 22 36.345 2.148 0.687 0.923 0.952 0.762 CB 1.615 22 residues pruned to eliminate duplicates Z: 22 50.882 2.347 1.030 0.936 1.000 0.714 CB 1.623 22 residues pruned to eliminate duplicates Z: 73 66.520 2.298 0.931 0.617 0.972 0.681 CB 1.628 73 residues pruned to eliminate duplicates Z: 95 66.956 2.306 1.017 0.548 0.915 0.670 CB 1.549 95 residues pruned to eliminate duplicates Z: 129 100.242 2.429 0.947 0.648 0.930 0.758 CB 1.755 129 residues pruned to eliminate duplicates Z: 34 46.626 2.454 1.182 0.548 0.909 0.636 CB 1.590 34 residues pruned to eliminate duplicates Z: 15 11.982 2.190 0.573 0.278 0.857 0.571 CB 1.394 15 residues pruned to eliminate duplicates Z: 75 58.184 2.251 0.827 0.616 0.919 0.716 CB 1.604 75 residues pruned to eliminate duplicates Z: 22 32.478 2.151 0.570 0.891 0.952 0.667 CB 1.584 22 residues pruned to eliminate duplicates Z: 22 48.894 2.344 0.951 0.948 1.000 0.762 CB 1.612 22 residues pruned to eliminate duplicates Z: 18 28.321 2.301 1.005 0.506 0.882 0.706 CB 1.677 18 residues pruned to eliminate duplicates Z: 23 37.367 2.339 0.910 0.595 0.955 0.682 CB 1.706 23 residues pruned to eliminate duplicates Z: 17 25.865 2.062 0.381 0.896 1.000 0.750 CB 1.626 17 residues pruned to eliminate duplicates Z: 22 54.152 2.359 1.104 0.953 1.000 0.952 CB 1.638 22 residues pruned to eliminate duplicates Z: 119 88.792 2.419 1.074 0.602 0.881 0.686 CB 1.678 120 residues pruned to eliminate duplicates Z: 29 34.569 2.131 0.621 0.694 0.964 0.714 CB 1.642 29 residues pruned to eliminate duplicates Z: 69 58.449 2.377 0.822 0.598 0.912 0.603 CB 1.635 69 residues pruned to eliminate duplicates Z: 154 99.996 2.374 0.952 0.603 0.941 0.654 CB 1.680 154 residues pruned to eliminate duplicates Z: 21 43.325 2.383 0.702 0.923 1.000 0.900 CB 1.679 20 residues pruned to eliminate duplicates Z: 17 27.495 2.059 0.599 0.909 0.938 0.875 CB 1.580 17 residues pruned to eliminate duplicates Z: 20 48.390 2.540 0.653 0.936 1.000 1.000 CB 1.841 20 residues pruned to eliminate duplicates Z: 127 104.531 2.441 0.965 0.652 0.968 0.730 CB 1.740 127 residues pruned to eliminate duplicates Z: 84 73.880 2.402 0.912 0.614 0.916 0.771 CB 1.731 84 residues pruned to eliminate duplicates Z: 51 48.289 2.349 0.900 0.488 0.900 0.640 CB 1.719 51 residues pruned to eliminate duplicates Z: 20 52.090 2.442 0.782 0.944 1.000 0.842 CB 1.902 21 residues pruned to eliminate duplicates Z: 31 38.577 2.258 0.991 0.593 0.933 0.667 CB 1.536 31 residues pruned to eliminate duplicates Z: 67 63.491 2.365 0.911 0.605 0.970 0.773 CB 1.614 67 residues pruned to eliminate duplicates Z: 21 47.391 2.344 0.852 0.947 1.000 0.950 CB 1.687 21 residues pruned to eliminate duplicates Z: 21 49.378 2.485 0.907 0.951 1.000 0.750 CB 1.605 21 residues pruned to eliminate duplicates Z: 33 21.092 1.899 0.719 0.547 0.875 0.562 CB 1.247 34 residues pruned to eliminate duplicates Z: 128 94.544 2.421 0.935 0.621 0.937 0.709 CB 1.705 128 residues pruned to eliminate duplicates Z: 152 101.086 2.398 0.914 0.608 0.960 0.715 CB 1.684 152 residues pruned to eliminate duplicates Z: 18 18.199 1.920 0.520 0.570 1.000 0.588 CB 1.414 Z: 7 5.254 1.705 0.652 0.468 0.667 0.333 CA 1.181 7 residues pruned to eliminate duplicates Z: 102 77.154 2.370 0.952 0.585 0.941 0.673 CB 1.625 102 residues pruned to eliminate duplicates Z: 84 78.033 2.395 0.913 0.631 0.952 0.771 CB 1.737 84 residues pruned to eliminate duplicates Z: 24 24.221 2.124 0.977 0.469 0.870 0.609 CB 1.427 24 residues pruned to eliminate duplicates Z: 16 29.621 2.099 0.737 0.877 0.933 0.867 CB 1.632 16 residues pruned to eliminate duplicates Z: 21 26.658 2.191 0.835 0.554 0.900 0.600 CB 1.562 21 residues pruned to eliminate duplicates Z: 72 72.757 2.408 0.910 0.633 0.944 0.761 CB 1.756 72 residues pruned to eliminate duplicates Z: 17 28.545 2.061 0.655 0.880 0.938 0.875 CB 1.617 17 residues pruned to eliminate duplicates Z: 18 26.058 1.919 0.705 0.905 0.941 0.588 CB 1.461 18 residues pruned to eliminate duplicates Z: 29 42.565 2.335 1.078 0.586 0.929 0.679 CB 1.644 29 residues pruned to eliminate duplicates Z: 8 15.182 2.341 0.556 0.544 1.000 0.571 CB 1.510 8 residues pruned to eliminate duplicates Z: 26 32.382 2.265 0.874 0.487 0.920 0.680 CB 1.681 26 residues pruned to eliminate duplicates Z: 26 28.919 2.347 1.019 0.510 0.880 0.680 CB 1.373 26 residues pruned to eliminate duplicates Z: 24 25.747 2.159 0.719 0.525 0.913 0.609 CB 1.546 23 residues pruned to eliminate duplicates Z: 50 36.943 2.193 0.791 0.448 0.878 0.571 CB 1.614 50 residues pruned to eliminate duplicates Z: 17 25.253 1.958 1.204 0.551 0.938 0.750 CA 1.485 17 residues pruned to eliminate duplicates Z: 152 101.827 2.411 0.960 0.617 0.934 0.728 CB 1.681 152 residues pruned to eliminate duplicates Z: 103 78.719 2.363 1.070 0.562 0.922 0.618 CB 1.627 103 residues pruned to eliminate duplicates Z: 83 79.240 2.432 0.948 0.622 0.939 0.756 CB 1.753 83 residues pruned to eliminate duplicates Z: 21 38.566 2.221 0.565 0.907 1.000 1.000 CB 1.764 21 residues pruned to eliminate duplicates Z: 19 35.888 2.424 1.171 0.584 0.889 0.722 CB 1.668 19 residues pruned to eliminate duplicates Z: 25 28.853 2.254 0.766 0.531 0.875 0.667 CB 1.640 25 residues pruned to eliminate duplicates Z: 54 34.710 2.064 0.827 0.505 0.943 0.642 CB 1.334 54 residues pruned to eliminate duplicates Z: 21 35.979 2.242 0.465 0.921 1.000 0.950 CB 1.724 21 residues pruned to eliminate duplicates Z: 25 33.941 2.279 0.872 0.532 0.958 0.750 CB 1.641 25 residues pruned to eliminate duplicates Z: 49 43.410 2.032 0.736 0.612 1.000 0.708 CB 1.596 49 residues pruned to eliminate duplicates Z: 25 32.917 2.242 0.799 0.547 0.958 0.542 CB 1.660 25 residues pruned to eliminate duplicates Z: 17 30.370 2.050 0.693 0.881 1.000 0.812 CB 1.584 17 residues pruned to eliminate duplicates Z: 22 40.561 2.337 0.664 0.937 1.000 0.762 CB 1.583 22 residues pruned to eliminate duplicates Z: 23 29.281 2.369 1.108 0.457 0.818 0.545 CB 1.596 23 residues pruned to eliminate duplicates Z: 120 86.157 2.421 0.931 0.587 0.933 0.714 CB 1.667 120 residues pruned to eliminate duplicates Z: 23 29.925 2.286 0.593 0.556 1.000 0.591 CB 1.660 23 residues pruned to eliminate duplicates Z: 43 50.405 2.451 1.102 0.582 0.905 0.667 CB 1.543 43 residues pruned to eliminate duplicates Z: 154 97.959 2.352 0.979 0.611 0.928 0.725 CB 1.651 154 residues pruned to eliminate duplicates Z: 9 10.558 1.819 0.677 0.702 0.750 0.625 CA 1.358 9 residues pruned to eliminate duplicates Z: 21 66.051 2.511 1.401 0.950 1.000 0.800 CB 1.689 21 residues pruned to eliminate duplicates Z: 18 24.737 1.905 1.111 0.564 0.882 0.765 CA 1.589 18 residues pruned to eliminate duplicates Z: 21 38.098 2.249 0.641 0.894 1.000 0.950 CB 1.656 21 residues pruned to eliminate duplicates Z: 47 42.700 2.321 0.834 0.487 0.913 0.652 CB 1.640 47 residues pruned to eliminate duplicates Z: 20 37.662 2.246 0.575 0.916 1.000 0.947 CB 1.725 20 residues pruned to eliminate duplicates Z: 95 66.982 2.319 0.983 0.541 0.904 0.670 CB 1.597 95 residues pruned to eliminate duplicates Z: 18 17.560 1.900 0.520 0.569 1.000 0.588 CB 1.379 18 residues pruned to eliminate duplicates Z: 73 58.812 2.294 0.792 0.600 0.931 0.667 CB 1.647 73 residues pruned to eliminate duplicates Z: 34 38.720 2.222 0.496 0.741 0.939 0.879 CB 1.740 34 residues pruned to eliminate duplicates Z: 26 37.252 2.376 1.078 0.547 0.920 0.680 CB 1.567 26 residues pruned to eliminate duplicates Z: 21 29.723 2.269 0.790 0.519 0.900 0.700 CB 1.784 21 residues pruned to eliminate duplicates Z: 30 41.980 2.271 1.108 0.588 0.966 0.690 CB 1.550 30 residues pruned to eliminate duplicates Z: 24 21.648 2.100 0.551 0.484 0.913 0.478 CB 1.542 24 residues pruned to eliminate duplicates Z: 152 104.441 2.400 0.974 0.611 0.947 0.709 CB 1.705 152 residues pruned to eliminate duplicates Z: 22 60.260 2.397 1.297 0.944 1.000 0.810 CB 1.654 22 residues pruned to eliminate duplicates Z: 101 73.009 2.373 0.824 0.590 0.940 0.720 CB 1.647 101 residues pruned to eliminate duplicates Z: 125 90.946 2.433 1.039 0.565 0.919 0.685 CB 1.681 125 residues pruned to eliminate duplicates Z: 154 101.677 2.385 0.963 0.619 0.941 0.686 CB 1.667 154 residues pruned to eliminate duplicates Z: 33 24.768 1.996 0.706 0.545 0.938 0.688 CB 1.313 33 residues pruned to eliminate duplicates Z: 144 88.771 2.301 0.921 0.574 0.944 0.685 CB 1.656 150 residues pruned to eliminate duplicates Z: 155 100.046 2.372 0.936 0.607 0.948 0.695 CB 1.673 155 residues pruned to eliminate duplicates Z: 46 49.980 2.334 0.649 0.682 0.911 0.800 CB 1.798 46 residues pruned to eliminate duplicates Z: 69 58.158 2.356 0.886 0.586 0.897 0.647 CB 1.630 69 residues pruned to eliminate duplicates Z: 31 39.732 2.282 1.014 0.581 0.933 0.667 CB 1.564 31 residues pruned to eliminate duplicates Z: 17 25.971 2.063 0.361 0.894 1.000 0.875 CB 1.659 17 residues pruned to eliminate duplicates Z: 18 25.814 1.963 0.484 0.874 1.000 0.824 CB 1.564 18 residues pruned to eliminate duplicates Z: 9 11.282 1.797 0.408 0.859 0.875 0.500 CB 1.326 9 residues pruned to eliminate duplicates Z: 15 13.325 1.663 0.347 0.862 0.929 0.500 CB 1.257 Z: 22 28.693 2.191 0.271 0.897 1.000 0.905 CB 1.609 22 residues pruned to eliminate duplicates Z: 120 75.932 2.308 0.870 0.571 0.933 0.672 CB 1.614 120 residues pruned to eliminate duplicates Z: 16 28.509 2.064 0.524 0.894 1.000 0.933 CB 1.679 16 residues pruned to eliminate duplicates Z: 21 35.233 2.236 0.497 0.911 1.000 0.850 CB 1.668 21 residues pruned to eliminate duplicates Z: 22 54.887 2.361 1.136 0.940 1.000 0.762 CB 1.650 22 residues pruned to eliminate duplicates Z: 19 17.405 1.844 0.755 0.575 0.889 0.667 CB 1.327 19 residues pruned to eliminate duplicates Z: 16 26.115 2.098 0.406 0.888 1.000 0.867 CB 1.646 16 residues pruned to eliminate duplicates Z: 11 42.256 2.421 1.154 0.919 1.000 0.700 CB 1.805 11 residues pruned to eliminate duplicates Z: 152 102.245 2.404 0.909 0.626 0.947 0.695 CB 1.700 152 residues pruned to eliminate duplicates Z: 37 24.600 2.099 0.583 0.510 0.833 0.611 CB 1.466 37 residues pruned to eliminate duplicates Z: 16 13.711 1.657 0.348 0.871 0.933 0.467 CB 1.239 16 residues pruned to eliminate duplicates Z: 12 11.385 1.870 0.860 0.552 0.727 0.636 CA 1.289 12 residues pruned to eliminate duplicates Z: 9 11.186 1.633 0.550 0.871 0.875 0.625 N 1.302 9 residues pruned to eliminate duplicates Z: 7 9.748 2.157 0.091 0.770 1.000 0.833 CA 1.331 7 residues pruned to eliminate duplicates Z: 8 13.079 1.781 0.963 0.809 0.857 0.429 N 1.260 8 residues pruned to eliminate duplicates Z: 23 34.476 2.312 0.826 0.564 1.000 0.682 CB 1.637 23 residues pruned to eliminate duplicates Z: 104 66.705 2.288 0.981 0.538 0.922 0.709 CB 1.514 104 residues pruned to eliminate duplicates Z: 27 38.780 2.195 0.566 0.764 1.000 0.769 CB 1.750 27 residues pruned to eliminate duplicates Z: 22 30.291 2.218 0.747 0.556 1.000 0.619 CB 1.615 23 residues pruned to eliminate duplicates Z: 44 46.476 2.328 0.964 0.525 0.907 0.744 CB 1.668 44 residues pruned to eliminate duplicates Z: 32 25.353 2.033 0.824 0.533 0.903 0.677 CB 1.316 32 residues pruned to eliminate duplicates Z: 73 71.626 2.354 0.894 0.651 0.944 0.764 CB 1.742 73 residues pruned to eliminate duplicates Z: 11 18.256 2.132 1.183 0.645 0.800 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 39 50.095 2.326 0.906 0.664 0.974 0.684 CB 1.617 39 residues pruned to eliminate duplicates Z: 9 15.203 1.950 0.909 0.449 1.000 0.500 CB 1.522 9 residues pruned to eliminate duplicates Z: 22 35.273 2.203 0.489 0.916 1.000 0.952 CB 1.657 22 residues pruned to eliminate duplicates Z: 8 4.171 1.906 0.196 0.644 0.857 0.714 N 0.705 Z: 11 44.427 2.414 1.137 0.935 1.000 0.900 CB 1.897 11 residues pruned to eliminate duplicates Z: 18 24.324 2.199 0.798 0.464 0.941 0.412 CB 1.644 18 residues pruned to eliminate duplicates Z: 101 74.161 2.357 0.931 0.584 0.920 0.630 CB 1.634 101 residues pruned to eliminate duplicates Z: 111 79.077 2.332 1.010 0.575 0.936 0.682 CB 1.598 111 residues pruned to eliminate duplicates Z: 7 14.043 2.049 0.578 0.747 1.000 0.500 CA 1.423 7 residues pruned to eliminate duplicates Z: 19 17.315 1.906 0.867 0.466 0.889 0.611 CB 1.337 19 residues pruned to eliminate duplicates Z: 57 46.067 2.298 0.896 0.497 0.893 0.607 CB 1.588 57 residues pruned to eliminate duplicates Z: 44 53.884 2.466 1.095 0.517 0.930 0.721 CB 1.682 44 residues pruned to eliminate duplicates Z: 50 39.951 2.214 0.852 0.475 0.878 0.592 CB 1.626 50 residues pruned to eliminate duplicates Z: 28 37.358 2.159 0.601 0.749 1.000 0.778 CB 1.665 28 residues pruned to eliminate duplicates Z: 7 6.502 1.929 0.514 0.563 0.667 0.667 CB 1.283 Z: 124 63.796 2.110 0.809 0.621 0.927 0.675 CB 1.450 117 residues pruned to eliminate duplicates Z: 22 48.934 2.341 0.964 0.944 1.000 0.905 CB 1.609 22 residues pruned to eliminate duplicates Z: 33 25.950 2.016 0.862 0.524 0.938 0.656 CB 1.273 33 residues pruned to eliminate duplicates Z: 49 49.576 2.349 1.016 0.515 0.896 0.625 CB 1.662 49 residues pruned to eliminate duplicates Z: 21 34.238 2.182 0.500 0.897 1.000 0.950 CB 1.675 21 residues pruned to eliminate duplicates Z: 9 9.124 1.900 0.659 0.333 0.875 0.500 CB 1.403 9 residues pruned to eliminate duplicates Z: 50 47.816 2.375 1.017 0.478 0.878 0.571 CB 1.661 50 residues pruned to eliminate duplicates Z: 20 61.979 2.385 1.200 0.944 1.000 0.895 CB 1.876 20 residues pruned to eliminate duplicates Z: 30 40.013 2.299 1.056 0.551 0.931 0.759 CB 1.608 30 residues pruned to eliminate duplicates Z: 8 15.311 2.014 0.862 0.403 1.000 0.714 CA 1.709 8 residues pruned to eliminate duplicates Z: 7 8.174 1.665 0.606 0.752 1.000 0.833 CB 0.996 7 residues pruned to eliminate duplicates Z: 92 63.624 2.265 0.919 0.555 0.923 0.692 CB 1.575 92 residues pruned to eliminate duplicates Z: 60 63.010 2.427 0.936 0.606 0.915 0.695 CB 1.724 60 residues pruned to eliminate duplicates Z: 60 54.175 2.291 0.914 0.597 0.932 0.661 CB 1.573 60 residues pruned to eliminate duplicates Z: 38 32.802 2.062 0.603 0.647 0.919 0.703 CB 1.548 38 residues pruned to eliminate duplicates Z: 15 10.800 1.559 0.455 0.854 0.929 0.786 CB 1.011 15 residues pruned to eliminate duplicates Z: 6 14.040 1.957 0.671 0.831 1.000 1.000 CA 1.443 6 residues pruned to eliminate duplicates Z: 153 98.596 2.391 0.879 0.613 0.947 0.704 CB 1.688 153 residues pruned to eliminate duplicates Z: 7 8.263 1.681 0.448 0.579 1.000 0.833 CB 1.284 7 residues pruned to eliminate duplicates Z: 43 50.662 2.307 0.935 0.623 0.905 0.667 CB 1.724 43 residues pruned to eliminate duplicates Z: 20 16.093 1.891 0.635 0.527 0.842 0.632 CB 1.381 20 residues pruned to eliminate duplicates Z: 25 31.594 2.249 0.710 0.556 1.000 0.833 CB 1.588 25 residues pruned to eliminate duplicates Z: 14 6.852 1.829 0.100 0.533 0.846 0.615 CB 1.081 14 residues pruned to eliminate duplicates Z: 6 9.815 2.042 0.820 0.685 1.000 0.800 CB 0.997 Z: 68 77.305 2.427 0.951 0.664 0.955 0.806 CB 1.794 68 residues pruned to eliminate duplicates Z: 36 26.543 1.938 0.723 0.609 0.971 0.714 CB 1.247 36 residues pruned to eliminate duplicates Z: 7 8.849 1.778 0.233 0.796 1.000 0.667 C 1.272 7 residues pruned to eliminate duplicates Z: 28 32.817 2.174 0.525 0.691 0.963 0.741 CB 1.661 28 residues pruned to eliminate duplicates Z: 12 18.410 2.103 0.723 0.713 0.909 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 82 79.382 2.432 0.910 0.638 0.938 0.802 CB 1.778 82 residues pruned to eliminate duplicates Z: 11 24.233 2.015 1.312 0.723 0.900 0.700 CB 1.494 11 residues pruned to eliminate duplicates Z: 21 21.172 2.245 0.806 0.393 0.800 0.500 CB 1.635 21 residues pruned to eliminate duplicates Z: 12 28.574 2.156 0.830 0.920 0.909 0.818 CB 1.691 12 residues pruned to eliminate duplicates Z: 17 15.378 1.653 0.396 0.861 1.000 0.875 CB 1.224 17 residues pruned to eliminate duplicates Z: 15 13.355 1.696 0.345 0.865 0.929 0.714 CB 1.234 15 residues pruned to eliminate duplicates Z: 18 17.236 1.912 0.509 0.571 0.941 0.647 CB 1.437 18 residues pruned to eliminate duplicates Z: 41 39.307 2.074 0.618 0.686 0.975 0.750 CB 1.602 40 residues pruned to eliminate duplicates Z: 26 25.300 2.064 0.852 0.484 0.920 0.600 CB 1.463 26 residues pruned to eliminate duplicates Z: 9 6.471 1.897 -0.078 0.529 0.875 0.500 CB 1.452 Z: 13 17.721 2.141 0.622 0.486 0.917 0.583 CB 1.630 13 residues pruned to eliminate duplicates Z: 16 36.970 2.339 1.068 0.659 0.933 0.867 CB 1.824 16 residues pruned to eliminate duplicates Z: 93 65.939 2.273 0.947 0.586 0.913 0.641 CB 1.566 93 residues pruned to eliminate duplicates Z: 84 71.042 2.365 0.892 0.627 0.916 0.699 CB 1.689 84 residues pruned to eliminate duplicates Z: 8 4.104 1.888 -0.204 0.565 0.857 0.571 CB 1.130 Z: 77 62.105 2.281 0.853 0.607 0.908 0.671 CB 1.676 77 residues pruned to eliminate duplicates Z: 21 33.966 2.247 0.345 0.927 1.000 0.950 CB 1.761 21 residues pruned to eliminate duplicates Z: 46 37.922 2.104 0.603 0.647 0.911 0.733 CB 1.603 46 residues pruned to eliminate duplicates Z: 22 33.971 2.180 0.447 0.914 1.000 0.857 CB 1.663 22 residues pruned to eliminate duplicates Z: 51 33.870 2.133 0.781 0.495 0.900 0.600 CB 1.408 51 residues pruned to eliminate duplicates Z: 65 43.131 2.141 0.880 0.538 0.922 0.625 CB 1.400 65 residues pruned to eliminate duplicates Z: 105 66.276 2.222 0.836 0.587 0.962 0.673 CB 1.524 105 residues pruned to eliminate duplicates Z: 14 8.230 1.739 0.417 0.580 0.846 0.692 CB 1.013 14 residues pruned to eliminate duplicates Z: 7 8.114 1.813 0.146 0.796 1.000 0.667 CB 1.230 7 residues pruned to eliminate duplicates Z: 34 19.620 1.988 0.591 0.428 0.879 0.545 CB 1.324 34 residues pruned to eliminate duplicates Z: 32 23.056 2.045 0.746 0.528 0.871 0.677 CB 1.295 32 residues pruned to eliminate duplicates Z: 17 28.616 1.973 0.694 0.913 1.000 0.500 CB 1.515 17 residues pruned to eliminate duplicates Z: 20 11.341 1.828 0.478 0.485 0.789 0.684 CB 1.238 20 residues pruned to eliminate duplicates Z: 68 58.958 2.358 0.848 0.575 0.925 0.701 CB 1.661 68 residues pruned to eliminate duplicates Z: 63 45.182 2.167 0.866 0.557 0.935 0.677 CB 1.435 63 residues pruned to eliminate duplicates Z: 44 54.712 2.333 0.742 0.706 0.953 0.814 CB 1.785 44 residues pruned to eliminate duplicates Z: 120 95.404 2.428 1.125 0.589 0.933 0.697 CB 1.670 120 residues pruned to eliminate duplicates Z: 23 31.670 2.107 0.433 0.922 1.000 0.955 CB 1.572 23 residues pruned to eliminate duplicates Z: 73 65.927 2.305 0.874 0.624 0.958 0.667 CB 1.670 73 residues pruned to eliminate duplicates Z: 72 62.480 2.320 0.870 0.623 0.915 0.662 CB 1.663 72 residues pruned to eliminate duplicates Z: 10 5.395 1.650 0.069 0.522 0.889 0.778 CB 1.123 Z: 7 5.717 1.811 0.836 0.556 0.667 0.667 CB 0.997 6 residues pruned to eliminate duplicates Z: 16 25.744 2.062 0.460 0.902 1.000 0.933 CB 1.574 16 residues pruned to eliminate duplicates Z: 34 58.604 2.438 1.033 0.686 1.000 0.848 CB 1.736 34 residues pruned to eliminate duplicates Z: 9 7.410 1.899 0.587 0.542 1.000 0.875 CB 0.834 9 residues pruned to eliminate duplicates Z: 70 62.167 2.335 0.968 0.587 0.928 0.652 CB 1.615 70 residues pruned to eliminate duplicates Z: 14 18.567 2.028 1.161 0.606 0.846 0.769 CB 1.255 14 residues pruned to eliminate duplicates Z: 26 29.946 2.218 0.770 0.531 0.920 0.440 CB 1.609 26 residues pruned to eliminate duplicates Z: 28 39.882 2.218 0.635 0.719 1.000 0.852 CB 1.736 28 residues pruned to eliminate duplicates Z: 68 59.262 2.356 0.830 0.600 0.940 0.746 CB 1.623 68 residues pruned to eliminate duplicates Z: 69 60.183 2.368 0.901 0.603 0.912 0.676 CB 1.612 69 residues pruned to eliminate duplicates Z: 57 51.121 2.298 1.044 0.519 0.911 0.679 CB 1.568 57 residues pruned to eliminate duplicates Z: 7 12.307 1.930 0.548 0.788 1.000 0.667 CA 1.306 7 residues pruned to eliminate duplicates Z: 69 59.737 2.367 0.842 0.594 0.912 0.647 CB 1.666 69 residues pruned to eliminate duplicates Z: 24 28.510 2.276 0.790 0.456 0.913 0.609 CB 1.671 24 residues pruned to eliminate duplicates Z: 32 44.693 2.230 0.610 0.777 0.968 0.806 CA 1.809 32 residues pruned to eliminate duplicates Z: 69 62.456 2.330 0.963 0.619 0.897 0.647 CB 1.651 69 residues pruned to eliminate duplicates Z: 8 5.317 1.660 0.158 0.587 0.857 0.857 CB 1.122 Z: 8 7.657 1.633 1.107 0.667 1.000 0.571 CB 0.721 Z: 23 41.207 2.206 0.595 0.885 1.000 0.955 CB 1.802 23 residues pruned to eliminate duplicates Z: 77 67.941 2.359 1.036 0.597 0.947 0.711 CB 1.561 77 residues pruned to eliminate duplicates Z: 33 26.593 1.957 0.696 0.556 0.906 0.625 CB 1.480 33 residues pruned to eliminate duplicates Z: 53 54.102 2.339 0.925 0.647 0.923 0.712 CB 1.574 53 residues pruned to eliminate duplicates Z: 22 56.779 2.332 1.252 0.951 1.000 0.857 CB 1.626 22 residues pruned to eliminate duplicates Z: 8 5.373 1.567 0.204 0.701 0.857 0.571 CA 1.045 8 residues pruned to eliminate duplicates Z: 25 36.093 2.201 0.989 0.622 0.958 0.792 CB 1.565 25 residues pruned to eliminate duplicates Z: 26 34.088 2.282 0.765 0.601 0.880 0.760 CB 1.747 26 residues pruned to eliminate duplicates Z: 32 29.653 2.104 0.865 0.494 0.935 0.548 CB 1.460 32 residues pruned to eliminate duplicates Z: 111 79.983 2.337 0.991 0.573 0.936 0.664 CB 1.630 111 residues pruned to eliminate duplicates Z: 80 45.148 2.142 0.720 0.541 0.899 0.646 CB 1.474 80 residues pruned to eliminate duplicates Z: 25 32.395 2.265 0.772 0.520 1.000 0.583 CB 1.614 25 residues pruned to eliminate duplicates Z: 54 66.535 2.522 1.201 0.539 0.943 0.604 CB 1.679 54 residues pruned to eliminate duplicates Z: 50 34.288 2.130 0.810 0.482 0.918 0.714 CB 1.409 50 residues pruned to eliminate duplicates Z: 19 26.714 1.929 0.591 0.816 1.000 0.889 CA 1.559 19 residues pruned to eliminate duplicates Z: 8 3.212 1.353 0.207 0.362 0.857 0.714 N 1.006 Z: 32 40.845 2.411 0.877 0.524 0.903 0.516 CB 1.753 32 residues pruned to eliminate duplicates Z: 20 19.412 1.854 0.777 0.526 0.842 0.632 CB 1.564 20 residues pruned to eliminate duplicates Z: 7 8.006 1.457 0.616 0.847 1.000 0.833 C 1.031 7 residues pruned to eliminate duplicates Z: 41 58.857 2.416 1.059 0.678 0.950 0.750 CB 1.671 41 residues pruned to eliminate duplicates Z: 20 52.205 2.508 0.954 0.940 1.000 0.684 CB 1.696 20 residues pruned to eliminate duplicates Z: 102 79.778 2.441 0.859 0.578 0.941 0.663 CB 1.725 102 residues pruned to eliminate duplicates Z: 18 19.582 1.869 0.747 0.554 1.000 0.588 CB 1.381 18 residues pruned to eliminate duplicates 6 1.782 1.480 -0.155 0.484 0.800 0.600 CB 0.810 ? Z: 30 50.065 2.336 1.009 0.779 0.966 0.828 CB 1.604 30 residues pruned to eliminate duplicates Z: 11 12.572 1.904 0.437 0.708 0.900 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 17 15.662 1.922 0.491 0.542 0.938 0.438 CB 1.399 17 residues pruned to eliminate duplicates Z: 31 34.421 2.240 0.812 0.591 0.900 0.667 CB 1.577 31 residues pruned to eliminate duplicates Z: 24 25.618 2.060 0.945 0.556 0.913 0.696 CB 1.383 24 residues pruned to eliminate duplicates Z: 7 6.118 1.783 0.632 0.488 0.667 0.667 N 1.303 Z: 17 13.781 1.629 0.374 0.819 1.000 0.688 CB 1.167 17 residues pruned to eliminate duplicates Z: 8 7.365 1.328 0.770 0.797 1.000 1.000 N 0.913 8 residues pruned to eliminate duplicates Z: 76 64.020 2.376 0.968 0.573 0.893 0.680 CB 1.649 76 residues pruned to eliminate duplicates Z: 11 27.256 2.118 0.913 0.904 1.000 0.400 CB 1.515 11 residues pruned to eliminate duplicates Z: 154 98.795 2.365 0.948 0.615 0.941 0.693 CB 1.652 154 residues pruned to eliminate duplicates Z: 6 7.814 1.864 0.490 0.683 0.800 0.600 CB 1.329 Z: 38 24.964 2.226 0.739 0.442 0.730 0.595 CB 1.543 38 residues pruned to eliminate duplicates Z: 17 14.199 1.631 0.356 0.861 1.000 0.625 CB 1.180 17 residues pruned to eliminate duplicates Z: 17 12.123 1.622 0.171 0.889 1.000 1.000 CB 1.149 17 residues pruned to eliminate duplicates Z: 7 8.199 2.001 0.697 0.690 0.833 0.667 CB 0.994 8 residues pruned to eliminate duplicates Z: 17 13.723 1.619 0.311 0.870 1.000 0.812 CB 1.180 17 residues pruned to eliminate duplicates Z: 139 98.274 2.424 1.043 0.574 0.928 0.703 CB 1.696 139 residues pruned to eliminate duplicates Z: 32 31.061 2.191 1.003 0.465 0.871 0.548 CB 1.513 32 residues pruned to eliminate duplicates Z: 20 39.702 2.272 0.661 0.926 1.000 0.895 CB 1.692 20 residues pruned to eliminate duplicates Z: 84 68.766 2.368 0.974 0.591 0.940 0.699 CB 1.576 84 residues pruned to eliminate duplicates Z: 7 4.389 1.760 0.153 0.453 0.833 0.667 CB 1.112 Z: 7 10.599 2.093 0.696 0.732 0.667 0.500 CA 1.484 7 residues pruned to eliminate duplicates Z: 8 3.723 1.599 0.740 0.443 0.571 0.571 CB 0.938 8 residues pruned to eliminate duplicates Z: 31 41.830 2.232 1.209 0.568 0.933 0.800 CB 1.553 31 residues pruned to eliminate duplicates Z: 58 63.123 2.344 1.011 0.630 0.965 0.684 CB 1.627 58 residues pruned to eliminate duplicates Z: 42 45.702 2.417 0.981 0.499 0.878 0.610 CB 1.699 42 residues pruned to eliminate duplicates Z: 7 3.339 1.440 0.198 0.581 0.833 0.667 CB 0.877 6 residues pruned to eliminate duplicates Z: 24 15.661 1.826 0.664 0.393 0.870 0.522 CB 1.385 31 residues pruned to eliminate duplicates Z: 83 82.491 2.419 1.003 0.628 0.951 0.744 CB 1.752 83 residues pruned to eliminate duplicates Z: 8 4.459 1.679 -0.196 0.578 1.000 0.714 CB 1.157 6 1.308 1.477 0.004 0.351 0.600 0.600 CB 0.773 ? Z: 6 6.314 1.817 -0.044 0.802 1.000 0.800 CB 1.248 8 residues pruned to eliminate duplicates Z: 91 68.929 2.327 0.966 0.572 0.922 0.644 CB 1.606 91 residues pruned to eliminate duplicates Z: 25 24.359 2.066 0.708 0.534 0.917 0.667 CB 1.486 25 residues pruned to eliminate duplicates Z: 18 20.103 1.902 0.580 0.630 1.000 0.588 CB 1.436 18 residues pruned to eliminate duplicates Z: 14 8.660 1.784 0.492 0.391 0.923 0.615 CB 1.097 22 residues pruned to eliminate duplicates Z: 12 12.172 1.838 0.549 0.592 0.909 0.727 CB 1.298 12 residues pruned to eliminate duplicates Z: 18 19.093 2.248 0.401 0.436 0.941 0.647 CB 1.669 18 residues pruned to eliminate duplicates Z: 77 65.175 2.352 1.025 0.579 0.921 0.618 CB 1.579 77 residues pruned to eliminate duplicates Z: 6 2.435 1.502 0.254 0.458 1.000 0.400 CB 0.604 Z: 33 41.418 2.206 0.835 0.722 0.938 0.625 CB 1.578 33 residues pruned to eliminate duplicates Z: 14 15.968 2.033 0.842 0.585 0.923 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 83 77.568 2.408 1.013 0.618 0.915 0.756 CB 1.729 83 residues pruned to eliminate duplicates Z: 18 27.009 1.972 0.570 0.788 1.000 0.824 CB 1.643 18 residues pruned to eliminate duplicates Z: 76 67.467 2.445 0.961 0.533 0.920 0.653 CB 1.710 76 residues pruned to eliminate duplicates Z: 48 50.250 2.260 1.032 0.621 0.936 0.681 CB 1.521 48 residues pruned to eliminate duplicates Z: 18 15.910 1.883 0.513 0.571 0.941 0.647 CB 1.343 18 residues pruned to eliminate duplicates Z: 7 8.184 1.716 0.660 0.647 1.000 0.500 CA 1.023 7 residues pruned to eliminate duplicates Z: 68 38.398 1.993 0.708 0.605 0.925 0.731 CB 1.348 68 residues pruned to eliminate duplicates Z: 50 50.710 2.353 1.028 0.517 0.918 0.653 CB 1.626 50 residues pruned to eliminate duplicates Z: 35 35.042 2.247 0.841 0.559 0.971 0.794 CB 1.414 35 residues pruned to eliminate duplicates Z: 15 8.787 1.687 0.388 0.448 0.857 0.643 CB 1.234 15 residues pruned to eliminate duplicates Z: 77 55.213 2.238 0.987 0.549 0.908 0.684 CB 1.495 77 residues pruned to eliminate duplicates Z: 28 34.726 2.256 0.866 0.524 0.852 0.667 CB 1.820 28 residues pruned to eliminate duplicates Z: 15 8.834 1.723 0.217 0.560 0.929 0.571 CB 1.143 15 residues pruned to eliminate duplicates Z: 90 84.525 2.454 1.063 0.613 0.944 0.708 CB 1.684 90 residues pruned to eliminate duplicates Z: 15 24.073 2.184 0.905 0.608 0.857 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 30 28.396 2.100 0.455 0.667 0.931 0.690 CB 1.587 30 residues pruned to eliminate duplicates Z: 17 14.477 1.633 0.423 0.894 1.000 0.688 CB 1.117 17 residues pruned to eliminate duplicates Z: 11 14.768 2.066 0.615 0.598 0.900 0.700 CB 1.417 11 residues pruned to eliminate duplicates Z: 45 45.735 2.334 0.813 0.619 0.909 0.682 CB 1.602 45 residues pruned to eliminate duplicates Z: 9 4.881 1.832 0.268 0.458 0.875 0.500 CB 0.886 9 residues pruned to eliminate duplicates Z: 8 6.168 1.386 0.790 0.433 1.000 0.857 CB 1.007 Z: 16 13.636 1.616 0.323 0.867 1.000 0.733 CB 1.205 16 residues pruned to eliminate duplicates Z: 9 22.444 2.300 0.859 0.564 1.000 0.625 CA 1.743 9 residues pruned to eliminate duplicates Z: 18 16.392 1.876 0.487 0.595 0.941 0.706 CB 1.383 18 residues pruned to eliminate duplicates Z: 21 31.050 2.211 0.396 0.904 0.950 0.900 CB 1.687 21 residues pruned to eliminate duplicates Z: 33 52.101 2.284 0.721 0.798 1.000 0.844 CB 1.805 33 residues pruned to eliminate duplicates Z: 28 36.631 2.155 0.613 0.715 1.000 0.852 CB 1.669 28 residues pruned to eliminate duplicates Z: 8 4.423 1.750 0.083 0.679 0.857 0.571 CB 0.873 8 residues pruned to eliminate duplicates Z: 7 3.453 1.611 -0.036 0.583 0.833 0.500 C 1.005 Z: 19 37.624 2.355 0.845 0.790 0.944 0.833 CB 1.675 19 residues pruned to eliminate duplicates Z: 12 17.884 1.902 0.754 0.684 0.909 0.818 CA 1.501 12 residues pruned to eliminate duplicates Z: 22 53.674 2.420 1.123 0.945 0.952 0.857 CB 1.656 22 residues pruned to eliminate duplicates Z: 27 18.099 1.997 0.774 0.549 0.846 0.615 CB 1.129 27 residues pruned to eliminate duplicates Z: 19 17.287 1.856 0.548 0.608 0.944 0.722 CB 1.356 19 residues pruned to eliminate duplicates Z: 82 72.995 2.400 0.971 0.594 0.951 0.605 CB 1.649 82 residues pruned to eliminate duplicates Z: 55 57.995 2.280 0.919 0.652 0.963 0.630 CB 1.626 55 residues pruned to eliminate duplicates Z: 9 18.409 2.338 0.525 0.471 1.000 0.500 CB 1.879 9 residues pruned to eliminate duplicates Z: 8 5.894 1.531 0.285 0.580 0.857 0.429 CA 1.223 8 residues pruned to eliminate duplicates Z: 17 13.633 1.627 0.218 0.891 1.000 0.750 CB 1.236 17 residues pruned to eliminate duplicates Z: 14 9.913 1.776 0.388 0.542 1.000 0.692 CB 1.070 14 residues pruned to eliminate duplicates Z: 22 43.660 2.360 0.742 0.937 1.000 1.000 CB 1.612 22 residues pruned to eliminate duplicates Z: 6 5.049 1.821 -0.203 0.662 1.000 0.800 CB 1.339 6 residues pruned to eliminate duplicates Z: 39 36.160 2.238 0.888 0.551 0.921 0.632 CB 1.434 39 residues pruned to eliminate duplicates Z: 11 13.068 1.835 0.843 0.587 0.900 0.700 CA 1.249 11 residues pruned to eliminate duplicates Z: 21 35.235 2.341 0.970 0.537 0.950 0.550 CB 1.735 21 residues pruned to eliminate duplicates Z: 35 27.673 2.252 0.794 0.421 0.912 0.647 CB 1.400 35 residues pruned to eliminate duplicates Z: 11 19.812 1.878 1.084 0.681 1.000 0.800 CA 1.355 11 residues pruned to eliminate duplicates Z: 14 23.861 2.308 1.037 0.706 0.923 0.923 CB 1.265 14 residues pruned to eliminate duplicates Z: 8 3.914 1.569 -0.018 0.570 0.857 0.429 O 1.046 8 residues pruned to eliminate duplicates Z: 16 12.575 1.648 0.261 0.864 1.000 0.733 CB 1.146 16 residues pruned to eliminate duplicates Z: 34 32.073 2.019 0.763 0.480 1.000 0.697 CB 1.600 34 residues pruned to eliminate duplicates Z: 34 32.910 2.156 0.979 0.516 0.939 0.606 CB 1.407 34 residues pruned to eliminate duplicates Z: 18 28.276 2.226 0.829 0.612 1.000 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 28 19.628 1.939 0.638 0.508 0.926 0.593 CB 1.275 28 residues pruned to eliminate duplicates 7 1.142 1.171 -0.031 0.250 1.000 0.333 C 0.548 ? Z: 131 93.796 2.389 0.877 0.646 0.946 0.746 CB 1.692 131 residues pruned to eliminate duplicates Z: 49 44.250 2.239 0.958 0.511 0.938 0.688 CB 1.537 49 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 6.422 1.964 0.603 0.618 0.833 0.667 CB 0.894 8 residues pruned to eliminate duplicates Z: 7 6.499 1.977 0.753 0.574 0.833 0.667 CB 0.856 7 residues pruned to eliminate duplicates Z: 6 8.680 1.942 0.933 0.492 0.800 0.600 CB 1.302 5 residues pruned to eliminate duplicates Z: 8 4.803 1.783 0.593 0.481 0.714 0.571 CB 0.913 8 residues pruned to eliminate duplicates Z: 7 5.699 1.985 0.441 0.553 0.833 0.667 CB 0.927 8 residues pruned to eliminate duplicates Z: 25 33.611 2.249 0.949 0.508 0.917 0.667 CB 1.695 25 residues pruned to eliminate duplicates Z: 25 32.069 2.273 0.815 0.518 0.917 0.583 CB 1.701 25 residues pruned to eliminate duplicates Z: 95 70.975 2.376 0.943 0.533 0.926 0.628 CB 1.659 95 residues pruned to eliminate duplicates Z: 27 30.523 2.168 0.927 0.512 0.923 0.538 CB 1.534 27 residues pruned to eliminate duplicates Z: 26 34.267 2.246 0.874 0.543 0.960 0.720 CB 1.626 26 residues pruned to eliminate duplicates Z: 100 71.389 2.363 0.840 0.567 0.949 0.657 CB 1.628 100 residues pruned to eliminate duplicates Z: 25 31.876 2.211 0.917 0.522 0.917 0.542 CB 1.639 25 residues pruned to eliminate duplicates Z: 26 32.983 2.223 0.834 0.533 0.960 0.600 CB 1.631 26 residues pruned to eliminate duplicates Z: 26 35.120 2.251 0.847 0.543 0.960 0.600 CB 1.687 26 residues pruned to eliminate duplicates Z: 26 33.557 2.235 0.802 0.546 0.960 0.640 CB 1.659 26 residues pruned to eliminate duplicates Z: 25 33.295 2.261 0.855 0.534 0.958 0.542 CB 1.636 25 residues pruned to eliminate duplicates Z: 25 37.090 2.268 1.023 0.534 0.958 0.625 CB 1.665 25 residues pruned to eliminate duplicates Z: 27 30.865 2.168 0.947 0.509 0.923 0.692 CB 1.539 27 residues pruned to eliminate duplicates Z: 23 31.711 2.326 0.753 0.547 0.909 0.545 CB 1.742 23 residues pruned to eliminate duplicates Z: 24 34.664 2.275 0.940 0.505 0.957 0.609 CB 1.704 24 residues pruned to eliminate duplicates Z: 101 78.060 2.384 0.945 0.578 0.940 0.700 CB 1.661 101 residues pruned to eliminate duplicates Z: 101 73.359 2.371 0.857 0.575 0.940 0.610 CB 1.648 101 residues pruned to eliminate duplicates Z: 73 61.609 2.335 0.875 0.587 0.944 0.667 CB 1.615 73 residues pruned to eliminate duplicates Z: 24 29.743 2.249 0.704 0.521 0.957 0.652 CB 1.657 24 residues pruned to eliminate duplicates Z: 87 65.797 2.337 0.906 0.553 0.942 0.640 CB 1.605 87 residues pruned to eliminate duplicates Z: 102 78.863 2.365 0.998 0.579 0.931 0.713 CB 1.653 102 residues pruned to eliminate duplicates Z: 103 75.089 2.364 0.901 0.572 0.951 0.676 CB 1.623 103 residues pruned to eliminate duplicates Z: 111 76.757 2.331 0.932 0.573 0.945 0.709 CB 1.601 111 residues pruned to eliminate duplicates Z: 102 69.797 2.341 0.840 0.566 0.931 0.644 CB 1.625 102 residues pruned to eliminate duplicates Z: 102 79.148 2.371 0.982 0.573 0.950 0.653 CB 1.644 102 residues pruned to eliminate duplicates Z: 74 69.188 2.450 0.942 0.602 0.918 0.699 CB 1.682 74 residues pruned to eliminate duplicates Z: 74 51.653 2.305 0.627 0.595 0.945 0.616 CB 1.557 74 residues pruned to eliminate duplicates Z: 87 62.967 2.324 0.885 0.558 0.919 0.686 CB 1.595 87 residues pruned to eliminate duplicates Z: 101 77.553 2.395 0.957 0.576 0.940 0.670 CB 1.636 101 residues pruned to eliminate duplicates Z: 102 77.795 2.368 0.959 0.579 0.931 0.693 CB 1.661 102 residues pruned to eliminate duplicates Z: 84 65.244 2.346 0.870 0.589 0.928 0.663 CB 1.617 84 residues pruned to eliminate duplicates Z: 111 79.025 2.340 0.932 0.589 0.945 0.718 CB 1.618 111 residues pruned to eliminate duplicates Z: 102 75.136 2.366 0.917 0.583 0.921 0.644 CB 1.653 102 residues pruned to eliminate duplicates Z: 88 66.171 2.334 0.865 0.565 0.943 0.655 CB 1.624 88 residues pruned to eliminate duplicates Z: 101 78.142 2.373 0.986 0.593 0.930 0.650 CB 1.631 101 residues pruned to eliminate duplicates Z: 103 76.657 2.365 0.935 0.572 0.941 0.647 CB 1.644 103 residues pruned to eliminate duplicates Z: 119 88.489 2.323 1.070 0.591 0.958 0.729 CB 1.621 119 residues pruned to eliminate duplicates Z: 80 68.827 2.366 1.030 0.601 0.924 0.646 CB 1.585 80 residues pruned to eliminate duplicates Z: 72 63.227 2.336 0.935 0.596 0.944 0.662 CB 1.604 72 residues pruned to eliminate duplicates Z: 87 68.350 2.347 0.980 0.566 0.930 0.663 CB 1.600 87 residues pruned to eliminate duplicates Z: 75 72.658 2.413 1.040 0.599 0.932 0.608 CB 1.674 75 residues pruned to eliminate duplicates Z: 102 80.619 2.369 1.048 0.589 0.931 0.713 CB 1.632 102 residues pruned to eliminate duplicates Z: 112 79.791 2.321 1.000 0.569 0.964 0.703 CB 1.583 112 residues pruned to eliminate duplicates Z: 72 65.469 2.338 0.954 0.584 0.972 0.676 CB 1.615 72 residues pruned to eliminate duplicates Z: 102 79.562 2.372 0.998 0.586 0.931 0.693 CB 1.652 102 residues pruned to eliminate duplicates Z: 85 68.870 2.325 0.951 0.589 0.952 0.702 CB 1.598 85 residues pruned to eliminate duplicates Z: 111 81.203 2.327 1.014 0.578 0.964 0.682 CB 1.589 111 residues pruned to eliminate duplicates Z: 102 76.223 2.367 0.975 0.566 0.921 0.713 CB 1.654 102 residues pruned to eliminate duplicates Z: 103 76.852 2.366 0.975 0.568 0.931 0.637 CB 1.637 103 residues pruned to eliminate duplicates Z: 101 74.591 2.374 0.888 0.566 0.960 0.660 CB 1.626 101 residues pruned to eliminate duplicates Z: 104 75.896 2.350 1.004 0.568 0.922 0.680 CB 1.612 104 residues pruned to eliminate duplicates Z: 92 72.664 2.357 0.997 0.582 0.912 0.714 CB 1.640 92 residues pruned to eliminate duplicates Z: 102 81.001 2.368 1.059 0.576 0.941 0.673 CB 1.634 102 residues pruned to eliminate duplicates Z: 103 73.853 2.348 0.930 0.569 0.931 0.696 CB 1.621 103 residues pruned to eliminate duplicates Z: 30 35.199 2.301 1.050 0.476 0.862 0.586 CB 1.647 30 residues pruned to eliminate duplicates Z: 59 50.933 2.249 0.832 0.545 0.914 0.672 CB 1.700 59 residues pruned to eliminate duplicates Z: 103 80.068 2.355 1.045 0.572 0.941 0.637 CB 1.633 103 residues pruned to eliminate duplicates Z: 101 77.299 2.381 0.956 0.558 0.950 0.630 CB 1.650 101 residues pruned to eliminate duplicates Z: 102 77.458 2.373 0.956 0.580 0.931 0.663 CB 1.651 102 residues pruned to eliminate duplicates Z: 59 53.233 2.320 1.066 0.504 0.914 0.638 CB 1.590 59 residues pruned to eliminate duplicates Z: 49 49.866 2.406 0.957 0.496 0.917 0.583 CB 1.674 49 residues pruned to eliminate duplicates Z: 54 45.629 2.324 0.982 0.529 0.906 0.642 CB 1.460 54 residues pruned to eliminate duplicates Z: 110 79.435 2.351 0.966 0.569 0.945 0.661 CB 1.629 110 residues pruned to eliminate duplicates Z: 50 50.820 2.406 0.996 0.504 0.918 0.653 CB 1.640 50 residues pruned to eliminate duplicates Z: 69 61.842 2.277 1.103 0.538 0.956 0.706 CB 1.578 69 residues pruned to eliminate duplicates Z: 101 78.043 2.370 1.019 0.583 0.930 0.630 CB 1.620 101 residues pruned to eliminate duplicates Z: 102 78.395 2.359 1.005 0.586 0.931 0.693 CB 1.632 102 residues pruned to eliminate duplicates Z: 67 55.373 2.304 0.938 0.508 0.924 0.652 CB 1.638 67 residues pruned to eliminate duplicates Z: 102 74.493 2.346 0.963 0.570 0.931 0.653 CB 1.617 102 residues pruned to eliminate duplicates Z: 50 51.258 2.387 0.998 0.514 0.918 0.694 CB 1.649 50 residues pruned to eliminate duplicates Z: 120 76.827 2.308 0.952 0.569 0.924 0.697 CB 1.582 120 residues pruned to eliminate duplicates Z: 50 50.422 2.357 1.053 0.507 0.898 0.653 CB 1.646 50 residues pruned to eliminate duplicates Z: 51 47.009 2.370 0.954 0.501 0.900 0.620 CB 1.594 51 residues pruned to eliminate duplicates Z: 71 54.901 2.320 1.037 0.535 0.886 0.614 CB 1.515 71 residues pruned to eliminate duplicates Z: 51 48.551 2.340 0.947 0.494 0.900 0.620 CB 1.684 51 residues pruned to eliminate duplicates Z: 72 55.220 2.236 1.040 0.494 0.930 0.662 CB 1.555 72 residues pruned to eliminate duplicates Z: 34 35.613 2.307 1.019 0.462 0.879 0.636 CB 1.574 34 residues pruned to eliminate duplicates Z: 48 54.466 2.420 1.039 0.538 0.936 0.766 CB 1.657 48 residues pruned to eliminate duplicates Z: 102 81.647 2.375 1.041 0.599 0.941 0.673 CB 1.621 102 residues pruned to eliminate duplicates Z: 102 80.860 2.373 0.982 0.580 0.960 0.693 CB 1.649 102 residues pruned to eliminate duplicates Z: 101 87.757 2.388 1.149 0.597 0.950 0.660 CB 1.641 101 residues pruned to eliminate duplicates Z: 111 81.807 2.338 0.991 0.592 0.955 0.736 CB 1.607 111 residues pruned to eliminate duplicates Z: 76 70.998 2.410 1.071 0.587 0.920 0.667 CB 1.644 76 residues pruned to eliminate duplicates Z: 49 50.040 2.380 1.028 0.481 0.917 0.646 CB 1.664 49 residues pruned to eliminate duplicates Z: 29 56.099 2.481 1.269 0.619 0.964 0.679 CB 1.746 29 residues pruned to eliminate duplicates Z: 30 44.354 2.421 0.975 0.532 0.966 0.690 CB 1.729 30 residues pruned to eliminate duplicates Z: 51 46.540 2.359 0.987 0.492 0.900 0.580 CB 1.572 51 residues pruned to eliminate duplicates Z: 31 43.334 2.393 1.032 0.552 0.900 0.667 CB 1.718 31 residues pruned to eliminate duplicates Z: 112 73.039 2.278 1.020 0.545 0.928 0.658 CB 1.554 112 residues pruned to eliminate duplicates Z: 29 50.067 2.475 1.121 0.581 0.964 0.679 CB 1.730 29 residues pruned to eliminate duplicates Z: 101 78.250 2.386 1.015 0.568 0.930 0.640 CB 1.638 101 residues pruned to eliminate duplicates Z: 30 48.250 2.426 1.124 0.583 0.966 0.690 CB 1.662 30 residues pruned to eliminate duplicates Z: 50 50.708 2.382 1.014 0.516 0.918 0.714 CB 1.619 50 residues pruned to eliminate duplicates Z: 49 45.539 2.366 0.960 0.475 0.896 0.625 CB 1.623 49 residues pruned to eliminate duplicates Z: 40 29.525 2.218 0.763 0.413 0.872 0.538 CB 1.519 40 residues pruned to eliminate duplicates Z: 102 74.654 2.369 0.940 0.557 0.941 0.634 CB 1.625 102 residues pruned to eliminate duplicates Z: 19 29.329 2.417 0.912 0.477 0.889 0.722 CB 1.724 19 residues pruned to eliminate duplicates Z: 206 113.765 2.380 0.968 0.586 0.937 0.707 CB 1.667 155 residues pruned to eliminate duplicates Z: 6 5.697 1.653 0.480 0.364 1.000 0.800 C 1.205 6 residues pruned to eliminate duplicates Z: 155 103.572 2.367 0.985 0.632 0.929 0.656 CB 1.690 155 residues pruned to eliminate duplicates Z: 36 45.069 2.480 0.904 0.475 0.943 0.543 CB 1.755 36 residues pruned to eliminate duplicates Z: 69 61.906 2.379 0.891 0.595 0.926 0.676 CB 1.645 69 residues pruned to eliminate duplicates Z: 67 67.114 2.384 1.027 0.604 0.939 0.682 CB 1.648 67 residues pruned to eliminate duplicates Z: 153 104.836 2.394 1.010 0.620 0.934 0.737 CB 1.688 153 residues pruned to eliminate duplicates Z: 153 104.935 2.397 1.006 0.627 0.934 0.743 CB 1.682 153 residues pruned to eliminate duplicates Z: 152 104.573 2.409 0.995 0.612 0.934 0.722 CB 1.705 152 residues pruned to eliminate duplicates Z: 70 61.699 2.380 0.940 0.600 0.899 0.696 CB 1.628 70 residues pruned to eliminate duplicates Z: 152 99.073 2.368 0.950 0.619 0.947 0.715 CB 1.647 152 residues pruned to eliminate duplicates Z: 71 62.291 2.347 0.938 0.590 0.914 0.686 CB 1.643 71 residues pruned to eliminate duplicates Z: 152 103.327 2.396 0.957 0.606 0.960 0.709 CB 1.689 152 residues pruned to eliminate duplicates Z: 83 60.946 2.367 0.913 0.548 0.902 0.610 CB 1.571 83 residues pruned to eliminate duplicates Z: 45 59.331 2.445 0.965 0.652 0.932 0.727 CB 1.734 45 residues pruned to eliminate duplicates Z: 152 100.777 2.406 0.970 0.610 0.934 0.728 CB 1.670 152 residues pruned to eliminate duplicates Z: 154 103.472 2.384 0.974 0.615 0.941 0.693 CB 1.694 154 residues pruned to eliminate duplicates Z: 72 70.284 2.476 1.175 0.504 0.915 0.577 CB 1.686 72 residues pruned to eliminate duplicates Z: 152 103.643 2.407 0.991 0.612 0.934 0.715 CB 1.695 152 residues pruned to eliminate duplicates Z: 152 103.068 2.408 0.939 0.618 0.940 0.695 CB 1.708 152 residues pruned to eliminate duplicates Z: 105 88.029 2.416 0.976 0.589 0.952 0.702 CB 1.745 105 residues pruned to eliminate duplicates Z: 14 30.921 2.465 0.955 0.523 1.000 0.615 CB 1.739 14 residues pruned to eliminate duplicates Z: 86 82.162 2.379 0.986 0.648 0.953 0.706 CB 1.724 86 residues pruned to eliminate duplicates Z: 153 106.702 2.388 1.024 0.621 0.941 0.704 CB 1.698 153 residues pruned to eliminate duplicates Z: 35 42.186 2.453 0.960 0.451 0.941 0.412 CB 1.681 35 residues pruned to eliminate duplicates Z: 153 104.785 2.400 0.961 0.620 0.941 0.678 CB 1.715 153 residues pruned to eliminate duplicates Z: 84 82.603 2.412 0.938 0.654 0.952 0.759 CB 1.766 84 residues pruned to eliminate duplicates Z: 83 80.762 2.429 0.969 0.619 0.939 0.756 CB 1.774 83 residues pruned to eliminate duplicates Z: 128 98.024 2.446 0.939 0.626 0.937 0.717 CB 1.738 128 residues pruned to eliminate duplicates Z: 154 103.325 2.395 0.978 0.613 0.935 0.706 CB 1.695 154 residues pruned to eliminate duplicates Z: 96 80.498 2.376 0.934 0.615 0.937 0.705 CB 1.720 96 residues pruned to eliminate duplicates Z: 154 101.729 2.379 0.980 0.620 0.935 0.725 CB 1.668 154 residues pruned to eliminate duplicates Z: 127 99.738 2.456 0.933 0.635 0.952 0.714 CB 1.732 127 residues pruned to eliminate duplicates Z: 97 89.242 2.421 0.947 0.631 0.969 0.750 CB 1.763 97 residues pruned to eliminate duplicates Z: 152 102.599 2.386 0.962 0.622 0.947 0.669 CB 1.678 152 residues pruned to eliminate duplicates Z: 102 88.769 2.443 1.048 0.595 0.921 0.703 CB 1.752 102 residues pruned to eliminate duplicates Z: 114 80.466 2.387 1.038 0.543 0.912 0.637 CB 1.638 114 residues pruned to eliminate duplicates Z: 152 108.153 2.411 1.045 0.630 0.934 0.709 CB 1.691 152 residues pruned to eliminate duplicates Z: 44 50.930 2.401 1.219 0.493 0.907 0.698 CB 1.619 44 residues pruned to eliminate duplicates Z: 84 79.975 2.419 0.958 0.622 0.952 0.759 CB 1.735 84 residues pruned to eliminate duplicates Z: 32 39.987 2.442 1.069 0.479 0.903 0.613 CB 1.607 32 residues pruned to eliminate duplicates Z: 74 66.088 2.362 0.895 0.593 0.918 0.740 CB 1.723 74 residues pruned to eliminate duplicates Z: 84 75.513 2.399 0.923 0.596 0.940 0.759 CB 1.745 84 residues pruned to eliminate duplicates Z: 104 84.447 2.424 0.929 0.582 0.951 0.680 CB 1.728 104 residues pruned to eliminate duplicates Z: 84 75.410 2.421 0.917 0.594 0.940 0.711 CB 1.735 84 residues pruned to eliminate duplicates Z: 131 99.264 2.420 1.016 0.619 0.938 0.700 CB 1.699 131 residues pruned to eliminate duplicates Z: 152 103.717 2.402 0.984 0.616 0.947 0.695 CB 1.675 152 residues pruned to eliminate duplicates Z: 84 59.601 2.278 0.792 0.606 0.904 0.699 CB 1.603 84 residues pruned to eliminate duplicates Z: 73 69.063 2.392 0.913 0.606 0.917 0.694 CB 1.755 73 residues pruned to eliminate duplicates Z: 84 74.901 2.396 0.904 0.617 0.916 0.735 CB 1.762 84 residues pruned to eliminate duplicates Z: 42 54.879 2.509 1.128 0.508 0.927 0.683 CB 1.719 42 residues pruned to eliminate duplicates Z: 152 106.869 2.411 0.989 0.611 0.954 0.728 CB 1.712 152 residues pruned to eliminate duplicates Z: 97 67.888 2.356 0.839 0.565 0.917 0.656 CB 1.639 97 residues pruned to eliminate duplicates Z: 129 97.035 2.425 0.974 0.620 0.930 0.680 CB 1.721 129 residues pruned to eliminate duplicates Z: 86 78.594 2.396 0.994 0.626 0.929 0.776 CB 1.705 86 residues pruned to eliminate duplicates Z: 73 67.566 2.385 0.814 0.623 0.944 0.764 CB 1.735 73 residues pruned to eliminate duplicates Z: 87 73.995 2.352 0.890 0.619 0.942 0.709 CB 1.703 87 residues pruned to eliminate duplicates Z: 54 55.105 2.438 1.098 0.484 0.887 0.660 CB 1.696 54 residues pruned to eliminate duplicates Z: 104 86.436 2.418 0.991 0.588 0.942 0.699 CB 1.727 104 residues pruned to eliminate duplicates Z: 84 74.891 2.384 0.929 0.610 0.928 0.723 CB 1.735 84 residues pruned to eliminate duplicates Z: 47 53.659 2.329 0.768 0.683 0.913 0.739 CB 1.779 47 residues pruned to eliminate duplicates Z: 47 54.926 2.304 0.736 0.707 0.935 0.783 CB 1.795 47 residues pruned to eliminate duplicates Z: 84 75.456 2.409 0.930 0.606 0.940 0.759 CB 1.714 84 residues pruned to eliminate duplicates Z: 120 93.623 2.439 1.065 0.593 0.933 0.723 CB 1.670 120 residues pruned to eliminate duplicates Z: 83 74.352 2.423 0.891 0.603 0.927 0.720 CB 1.753 83 residues pruned to eliminate duplicates Z: 53 50.290 2.329 0.674 0.640 0.904 0.750 CB 1.737 53 residues pruned to eliminate duplicates Z: 49 51.237 2.221 0.709 0.683 0.958 0.792 CB 1.718 49 residues pruned to eliminate duplicates Z: 85 78.686 2.419 0.956 0.612 0.940 0.738 CB 1.734 85 residues pruned to eliminate duplicates Z: 84 74.067 2.409 0.912 0.614 0.916 0.711 CB 1.730 84 residues pruned to eliminate duplicates Z: 130 101.263 2.415 0.963 0.642 0.953 0.729 CB 1.728 130 residues pruned to eliminate duplicates Z: 154 102.497 2.371 1.025 0.614 0.928 0.686 CB 1.669 154 residues pruned to eliminate duplicates Z: 48 53.535 2.235 0.753 0.690 0.957 0.766 CB 1.749 48 residues pruned to eliminate duplicates Z: 47 49.042 2.279 0.710 0.692 0.935 0.826 CB 1.666 47 residues pruned to eliminate duplicates Z: 66 71.555 2.407 0.925 0.656 0.954 0.862 CB 1.736 66 residues pruned to eliminate duplicates Z: 47 53.935 2.310 0.684 0.711 0.957 0.739 CB 1.764 47 residues pruned to eliminate duplicates Z: 45 58.591 2.368 0.729 0.711 0.977 0.818 CB 1.823 45 residues pruned to eliminate duplicates Z: 83 76.014 2.414 0.923 0.619 0.927 0.744 CB 1.744 83 residues pruned to eliminate duplicates Z: 154 103.876 2.386 0.978 0.623 0.948 0.739 CB 1.672 154 residues pruned to eliminate duplicates Z: 49 49.218 2.292 0.611 0.666 0.938 0.792 CB 1.760 49 residues pruned to eliminate duplicates Z: 54 47.578 2.234 0.684 0.606 0.925 0.679 CB 1.698 54 residues pruned to eliminate duplicates Z: 48 51.067 2.305 0.652 0.692 0.915 0.830 CB 1.793 48 residues pruned to eliminate duplicates Z: 60 52.229 2.231 0.724 0.646 0.932 0.695 CB 1.656 60 residues pruned to eliminate duplicates Z: 73 73.388 2.408 0.885 0.637 0.958 0.792 CB 1.748 73 residues pruned to eliminate duplicates Z: 48 54.812 2.270 0.740 0.710 0.957 0.872 CB 1.747 48 residues pruned to eliminate duplicates Z: 47 54.384 2.299 0.696 0.724 0.957 0.804 CB 1.757 47 residues pruned to eliminate duplicates Z: 47 53.739 2.310 0.709 0.699 0.957 0.739 CB 1.750 47 residues pruned to eliminate duplicates Z: 48 52.525 2.282 0.750 0.678 0.957 0.766 CB 1.702 48 residues pruned to eliminate duplicates Z: 72 76.857 2.418 0.972 0.639 0.958 0.775 CB 1.753 72 residues pruned to eliminate duplicates Z: 47 56.774 2.333 0.801 0.710 0.935 0.783 CB 1.761 47 residues pruned to eliminate duplicates Z: 37 41.630 2.088 0.709 0.727 0.972 0.806 CB 1.630 37 residues pruned to eliminate duplicates Z: 48 57.289 2.270 0.821 0.709 0.957 0.809 CB 1.747 48 residues pruned to eliminate duplicates Z: 47 51.624 2.269 0.773 0.669 0.913 0.739 CB 1.773 47 residues pruned to eliminate duplicates Z: 47 54.354 2.330 0.825 0.685 0.913 0.804 CB 1.741 47 residues pruned to eliminate duplicates Z: 45 57.373 2.360 0.753 0.717 0.955 0.818 CB 1.800 45 residues pruned to eliminate duplicates Z: 23 41.730 2.207 0.695 0.885 1.000 0.909 CB 1.717 23 residues pruned to eliminate duplicates Z: 48 54.130 2.270 0.751 0.703 0.957 0.787 CB 1.724 48 residues pruned to eliminate duplicates Z: 84 78.704 2.405 0.959 0.615 0.940 0.747 CB 1.750 84 residues pruned to eliminate duplicates Z: 152 96.162 2.401 0.903 0.597 0.934 0.682 CB 1.672 152 residues pruned to eliminate duplicates Z: 153 101.372 2.394 0.968 0.621 0.934 0.697 CB 1.666 153 residues pruned to eliminate duplicates Z: 47 54.003 2.300 0.753 0.689 0.957 0.848 CB 1.736 47 residues pruned to eliminate duplicates Z: 155 97.783 2.359 0.984 0.606 0.935 0.708 CB 1.628 155 residues pruned to eliminate duplicates Z: 87 79.508 2.351 0.960 0.669 0.953 0.733 CB 1.670 87 residues pruned to eliminate duplicates Z: 33 48.228 2.286 0.684 0.760 1.000 0.750 CB 1.758 33 residues pruned to eliminate duplicates Z: 28 36.656 2.209 0.730 0.690 0.926 0.778 CB 1.676 28 residues pruned to eliminate duplicates Z: 48 38.310 2.062 0.586 0.596 0.979 0.745 CB 1.593 48 residues pruned to eliminate duplicates Z: 48 38.600 2.071 0.631 0.572 0.957 0.766 CB 1.624 48 residues pruned to eliminate duplicates Z: 43 34.182 2.043 0.622 0.579 0.976 0.690 CB 1.511 43 residues pruned to eliminate duplicates Z: 47 37.708 2.059 0.632 0.577 0.978 0.739 CB 1.570 47 residues pruned to eliminate duplicates Z: 31 31.879 2.090 0.552 0.629 0.967 0.767 CB 1.644 31 residues pruned to eliminate duplicates Z: 29 33.687 2.176 0.561 0.682 0.964 0.750 CB 1.645 29 residues pruned to eliminate duplicates Z: 6 9.283 2.033 0.834 0.391 1.000 0.200 CA 1.249 6 residues pruned to eliminate duplicates Z: 124 78.792 2.283 0.897 0.585 0.943 0.699 CB 1.603 124 residues pruned to eliminate duplicates Z: 29 34.839 2.175 0.623 0.666 0.964 0.821 CB 1.658 29 residues pruned to eliminate duplicates Z: 48 42.477 2.068 0.764 0.592 0.979 0.766 CB 1.589 48 residues pruned to eliminate duplicates Z: 47 45.084 2.078 0.759 0.646 1.000 0.739 CB 1.587 47 residues pruned to eliminate duplicates Z: 150 81.840 2.272 0.857 0.562 0.933 0.664 CB 1.603 150 residues pruned to eliminate duplicates Z: 46 33.350 2.074 0.573 0.546 0.933 0.756 CB 1.560 46 residues pruned to eliminate duplicates Z: 30 33.321 2.092 0.540 0.684 1.000 0.793 CB 1.622 30 residues pruned to eliminate duplicates Z: 42 37.576 2.082 0.701 0.654 0.951 0.780 CB 1.509 42 residues pruned to eliminate duplicates Z: 47 38.987 2.075 0.640 0.592 0.957 0.696 CB 1.617 47 residues pruned to eliminate duplicates Z: 29 32.930 2.170 0.565 0.646 0.964 0.786 CB 1.657 29 residues pruned to eliminate duplicates Z: 29 34.287 2.176 0.571 0.674 0.964 0.786 CB 1.674 29 residues pruned to eliminate duplicates Z: 48 41.986 2.074 0.733 0.594 0.957 0.787 CB 1.627 48 residues pruned to eliminate duplicates Z: 41 37.407 2.090 0.629 0.652 0.975 0.800 CB 1.547 41 residues pruned to eliminate duplicates Z: 42 37.948 2.089 0.669 0.652 0.951 0.780 CB 1.551 42 residues pruned to eliminate duplicates Z: 28 37.491 2.204 0.584 0.721 1.000 0.778 CB 1.692 28 residues pruned to eliminate duplicates Z: 27 36.350 2.229 0.601 0.701 0.962 0.846 CB 1.729 27 residues pruned to eliminate duplicates Z: 48 40.536 2.053 0.716 0.602 0.957 0.787 CB 1.591 48 residues pruned to eliminate duplicates Z: 41 38.709 2.096 0.708 0.609 0.975 0.775 CB 1.581 41 residues pruned to eliminate duplicates Z: 18 30.494 2.001 0.670 0.915 1.000 0.941 CB 1.565 17 residues pruned to eliminate duplicates Z: 24 49.031 2.367 0.819 0.910 1.000 0.957 CB 1.685 24 residues pruned to eliminate duplicates Z: 28 41.533 2.310 0.716 0.772 0.963 0.852 CB 1.645 28 residues pruned to eliminate duplicates Z: 44 42.986 2.262 0.643 0.644 0.907 0.651 CB 1.700 44 residues pruned to eliminate duplicates Z: 26 49.749 2.362 0.879 0.813 1.000 0.920 CB 1.706 26 residues pruned to eliminate duplicates Z: 86 48.506 2.054 0.668 0.642 0.941 0.659 CB 1.429 86 residues pruned to eliminate duplicates Z: 43 46.527 2.295 0.711 0.634 0.952 0.738 CB 1.694 43 residues pruned to eliminate duplicates Z: 22 47.317 2.413 0.869 0.867 0.952 0.857 CB 1.758 22 residues pruned to eliminate duplicates Z: 73 64.983 2.296 0.894 0.617 0.958 0.681 CB 1.645 73 residues pruned to eliminate duplicates Z: 42 50.600 2.316 0.805 0.642 0.951 0.659 CB 1.740 42 residues pruned to eliminate duplicates Z: 108 62.934 2.195 0.831 0.577 0.925 0.626 CB 1.519 108 residues pruned to eliminate duplicates Z: 40 54.583 2.350 0.897 0.650 0.974 0.667 CB 1.750 40 residues pruned to eliminate duplicates Z: 43 54.123 2.283 0.914 0.663 0.976 0.667 CB 1.683 43 residues pruned to eliminate duplicates Z: 106 68.618 2.214 0.888 0.598 0.933 0.610 CB 1.563 106 residues pruned to eliminate duplicates Z: 25 51.598 2.343 1.038 0.831 0.958 0.667 CB 1.729 25 residues pruned to eliminate duplicates Z: 108 60.363 2.187 0.809 0.551 0.925 0.626 CB 1.517 108 residues pruned to eliminate duplicates Z: 43 54.634 2.298 0.920 0.669 0.976 0.667 CB 1.675 43 residues pruned to eliminate duplicates Z: 42 52.508 2.298 0.951 0.681 0.927 0.659 CB 1.670 42 residues pruned to eliminate duplicates Z: 105 72.971 2.242 0.954 0.609 0.942 0.635 CB 1.563 124 residues pruned to eliminate duplicates Z: 19 58.276 2.495 1.189 0.944 1.000 0.778 CB 1.742 19 residues pruned to eliminate duplicates Z: 73 65.006 2.286 0.980 0.597 0.944 0.625 CB 1.633 73 residues pruned to eliminate duplicates Z: 44 50.911 2.266 0.893 0.638 0.930 0.628 CB 1.709 44 residues pruned to eliminate duplicates Z: 44 50.943 2.272 0.840 0.651 0.953 0.674 CB 1.693 44 residues pruned to eliminate duplicates Z: 45 44.794 2.272 0.895 0.607 0.864 0.523 CB 1.640 45 residues pruned to eliminate duplicates Z: 74 68.233 2.304 0.989 0.615 0.945 0.685 CB 1.653 74 residues pruned to eliminate duplicates Z: 7 6.974 1.851 0.346 0.420 0.833 0.667 CB 1.490 7 residues pruned to eliminate duplicates Z: 57 53.646 2.290 0.902 0.614 0.911 0.643 CB 1.622 57 residues pruned to eliminate duplicates Z: 7 4.213 1.591 0.635 0.391 0.833 0.500 N 0.890 7 residues pruned to eliminate duplicates Z: 48 43.402 2.294 0.826 0.506 0.894 0.596 CB 1.680 48 residues pruned to eliminate duplicates Z: 79 44.982 2.158 0.813 0.491 0.910 0.590 CB 1.443 79 residues pruned to eliminate duplicates Z: 80 63.275 2.254 0.872 0.597 0.949 0.671 CB 1.620 80 residues pruned to eliminate duplicates Z: 42 53.898 2.317 0.931 0.664 0.951 0.634 CB 1.700 42 residues pruned to eliminate duplicates Z: 58 54.467 2.282 0.896 0.591 0.947 0.596 CB 1.613 59 residues pruned to eliminate duplicates Z: 6 3.254 1.604 0.695 0.351 0.600 0.400 CA 1.048 6 residues pruned to eliminate duplicates Z: 33 37.513 2.230 0.968 0.572 0.906 0.719 CB 1.555 33 residues pruned to eliminate duplicates Z: 83 43.903 2.014 0.823 0.580 0.902 0.659 CB 1.355 63 residues pruned to eliminate duplicates Z: 6 6.227 1.998 0.362 0.529 0.800 0.400 CB 1.242 6 residues pruned to eliminate duplicates Z: 31 40.780 2.288 1.038 0.578 0.933 0.700 CB 1.587 31 residues pruned to eliminate duplicates Z: 34 32.038 2.208 0.858 0.500 0.909 0.545 CB 1.494 34 residues pruned to eliminate duplicates Z: 30 38.184 2.321 0.996 0.571 0.897 0.690 CB 1.594 30 residues pruned to eliminate duplicates Z: 48 48.954 2.307 0.950 0.542 0.915 0.617 CB 1.666 48 residues pruned to eliminate duplicates Z: 32 33.188 2.229 0.840 0.523 0.935 0.581 CB 1.518 32 residues pruned to eliminate duplicates Z: 72 37.016 2.027 0.783 0.495 0.915 0.634 CB 1.334 72 residues pruned to eliminate duplicates Z: 30 34.995 2.292 0.888 0.556 0.897 0.586 CB 1.587 30 residues pruned to eliminate duplicates Z: 53 39.437 2.130 0.865 0.548 0.904 0.673 CB 1.453 53 residues pruned to eliminate duplicates Z: 17 32.917 2.343 1.018 0.576 0.938 0.625 CB 1.726 17 residues pruned to eliminate duplicates Z: 50 41.982 2.244 0.809 0.527 0.959 0.571 CB 1.500 50 residues pruned to eliminate duplicates Z: 30 39.826 2.259 1.011 0.576 0.966 0.724 CB 1.567 30 residues pruned to eliminate duplicates Z: 23 29.327 2.141 0.917 0.565 0.955 0.682 CB 1.499 23 residues pruned to eliminate duplicates Z: 65 44.117 2.119 0.883 0.551 0.938 0.578 CB 1.403 65 residues pruned to eliminate duplicates Z: 31 41.164 2.312 1.160 0.573 0.900 0.667 CB 1.559 31 residues pruned to eliminate duplicates Z: 29 42.033 2.323 1.128 0.567 0.964 0.643 CB 1.562 29 residues pruned to eliminate duplicates Z: 31 36.469 2.277 1.072 0.553 0.900 0.700 CB 1.488 31 residues pruned to eliminate duplicates Z: 33 32.890 2.180 0.946 0.550 0.875 0.625 CB 1.492 33 residues pruned to eliminate duplicates Z: 63 43.694 2.170 0.923 0.529 0.919 0.661 CB 1.406 63 residues pruned to eliminate duplicates Z: 19 26.606 2.262 0.855 0.501 0.944 0.611 CB 1.582 19 residues pruned to eliminate duplicates Z: 18 31.402 2.218 1.073 0.571 0.941 0.647 CB 1.644 18 residues pruned to eliminate duplicates Z: 20 25.305 2.234 0.838 0.498 0.895 0.526 CB 1.583 20 residues pruned to eliminate duplicates Z: 52 33.415 2.117 0.854 0.490 0.863 0.647 CB 1.396 52 residues pruned to eliminate duplicates Z: 68 37.264 2.094 0.791 0.484 0.910 0.687 CB 1.356 68 residues pruned to eliminate duplicates Z: 83 44.202 2.021 0.761 0.572 0.951 0.659 CB 1.345 83 residues pruned to eliminate duplicates Z: 63 44.214 2.144 0.992 0.523 0.919 0.694 CB 1.399 63 residues pruned to eliminate duplicates Z: 21 9.827 1.702 0.765 0.332 0.900 0.450 CB 0.977 21 residues pruned to eliminate duplicates Z: 20 21.146 2.104 0.749 0.450 1.000 0.579 CB 1.387 20 residues pruned to eliminate duplicates Z: 80 40.830 2.031 0.755 0.532 0.924 0.633 CB 1.352 80 residues pruned to eliminate duplicates Z: 54 35.825 2.074 0.917 0.491 0.906 0.679 CB 1.379 54 residues pruned to eliminate duplicates Z: 64 41.385 2.128 0.808 0.513 0.921 0.651 CB 1.452 64 residues pruned to eliminate duplicates Z: 52 45.944 2.208 1.054 0.524 0.941 0.647 CB 1.472 52 residues pruned to eliminate duplicates Z: 34 23.213 2.005 0.705 0.471 0.909 0.636 CB 1.340 34 residues pruned to eliminate duplicates Z: 51 39.680 2.143 0.881 0.566 0.920 0.700 CB 1.419 51 residues pruned to eliminate duplicates Z: 29 19.734 1.992 0.747 0.502 0.857 0.571 CB 1.247 29 residues pruned to eliminate duplicates Z: 33 24.288 2.001 0.751 0.522 0.938 0.594 CB 1.279 33 residues pruned to eliminate duplicates Z: 111 59.665 2.147 0.871 0.558 0.909 0.655 CB 1.472 111 residues pruned to eliminate duplicates Z: 65 43.956 2.142 0.921 0.527 0.922 0.688 CB 1.411 65 residues pruned to eliminate duplicates Z: 33 25.432 2.009 0.734 0.530 0.969 0.625 CB 1.293 33 residues pruned to eliminate duplicates Z: 33 21.752 1.996 0.793 0.494 0.844 0.688 CB 1.281 33 residues pruned to eliminate duplicates Z: 66 41.227 2.135 0.854 0.513 0.923 0.692 CB 1.381 66 residues pruned to eliminate duplicates Z: 51 41.466 2.113 0.882 0.547 0.980 0.700 CB 1.436 51 residues pruned to eliminate duplicates Z: 64 42.597 2.130 0.950 0.538 0.905 0.698 CB 1.376 64 residues pruned to eliminate duplicates Z: 51 38.856 2.129 0.925 0.531 0.920 0.660 CB 1.413 51 residues pruned to eliminate duplicates Z: 26 24.152 2.025 0.870 0.605 0.920 0.680 CB 1.255 26 residues pruned to eliminate duplicates Z: 64 45.408 2.167 0.931 0.524 0.937 0.667 CB 1.425 64 residues pruned to eliminate duplicates Z: 51 37.901 2.159 0.819 0.535 0.940 0.660 CB 1.403 51 residues pruned to eliminate duplicates Z: 27 21.699 2.005 0.721 0.541 0.962 0.615 CB 1.232 27 residues pruned to eliminate duplicates Z: 12 13.296 1.967 0.469 0.613 1.000 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 14 11.515 1.864 0.489 0.545 0.923 0.769 CB 1.193 14 residues pruned to eliminate duplicates Z: 52 24.392 1.825 0.608 0.617 0.902 0.647 CB 1.155 52 residues pruned to eliminate duplicates Z: 24 22.311 2.145 0.836 0.566 0.826 0.652 CB 1.342 24 residues pruned to eliminate duplicates Z: 26 19.166 2.019 0.788 0.478 0.840 0.560 CB 1.293 26 residues pruned to eliminate duplicates Z: 83 44.688 2.025 0.749 0.597 0.951 0.659 CB 1.335 83 residues pruned to eliminate duplicates Z: 19 11.906 1.530 0.437 0.788 1.000 0.556 CB 0.991 19 residues pruned to eliminate duplicates Z: 20 12.060 1.540 0.356 0.804 0.947 0.632 CB 1.072 20 residues pruned to eliminate duplicates Z: 83 41.599 2.011 0.737 0.582 0.927 0.683 CB 1.312 83 residues pruned to eliminate duplicates Z: 83 44.621 2.019 0.744 0.583 0.963 0.720 CB 1.341 83 residues pruned to eliminate duplicates Z: 69 42.976 1.997 0.806 0.631 0.941 0.750 CB 1.357 69 residues pruned to eliminate duplicates Z: 82 45.781 2.034 0.795 0.595 0.938 0.704 CB 1.356 82 residues pruned to eliminate duplicates Z: 14 15.027 1.787 0.338 0.853 1.000 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 83 44.987 2.029 0.780 0.587 0.927 0.671 CB 1.365 83 residues pruned to eliminate duplicates Z: 45 27.687 1.876 0.651 0.671 0.955 0.523 CB 1.205 45 residues pruned to eliminate duplicates Z: 19 15.280 1.578 0.446 0.859 1.000 0.556 CB 1.162 19 residues pruned to eliminate duplicates Z: 17 13.963 1.642 0.283 0.860 1.000 0.750 CB 1.218 17 residues pruned to eliminate duplicates Z: 18 12.732 1.622 0.337 0.814 0.941 0.765 CB 1.151 18 residues pruned to eliminate duplicates Z: 19 12.250 1.599 0.340 0.836 0.889 0.722 CB 1.135 19 residues pruned to eliminate duplicates Z: 46 24.618 1.861 0.574 0.640 0.933 0.689 CB 1.178 46 residues pruned to eliminate duplicates Z: 81 45.421 2.055 0.770 0.576 0.950 0.750 CB 1.366 81 residues pruned to eliminate duplicates Z: 51 30.506 1.860 0.730 0.618 0.960 0.720 CB 1.250 51 residues pruned to eliminate duplicates Z: 17 14.695 1.630 0.458 0.851 1.000 0.938 CB 1.144 17 residues pruned to eliminate duplicates Z: 17 15.806 1.650 0.436 0.894 1.000 0.875 CB 1.196 17 residues pruned to eliminate duplicates Z: 46 24.809 1.845 0.610 0.649 0.889 0.644 CB 1.220 46 residues pruned to eliminate duplicates Z: 23 16.047 1.797 0.454 0.543 0.955 0.682 CB 1.315 18 residues pruned to eliminate duplicates Z: 8 6.850 1.687 0.180 0.508 1.000 0.571 CB 1.290 8 residues pruned to eliminate duplicates Z: 93 57.161 2.181 0.704 0.581 0.957 0.630 CB 1.550 92 residues pruned to eliminate duplicates Z: 6 7.880 1.627 0.862 0.753 1.000 0.400 CA 0.928 6 residues pruned to eliminate duplicates Z: 18 16.993 1.900 0.498 0.577 0.941 0.765 CB 1.429 18 residues pruned to eliminate duplicates Z: 17 12.656 1.850 0.457 0.510 0.875 0.688 CB 1.328 17 residues pruned to eliminate duplicates Z: 20 13.417 1.784 0.525 0.512 0.842 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 18 18.957 1.913 0.586 0.580 1.000 0.647 CB 1.403 18 residues pruned to eliminate duplicates Z: 25 13.853 1.779 0.501 0.555 0.917 0.667 CB 1.095 25 residues pruned to eliminate duplicates Z: 18 19.078 1.906 0.647 0.566 1.000 0.529 CB 1.383 18 residues pruned to eliminate duplicates Z: 24 13.541 1.756 0.531 0.455 0.870 0.609 CB 1.265 24 residues pruned to eliminate duplicates Z: 24 12.544 1.690 0.602 0.431 0.870 0.522 CB 1.192 24 residues pruned to eliminate duplicates Z: 20 15.267 1.757 0.645 0.521 0.895 0.632 CB 1.327 20 residues pruned to eliminate duplicates Z: 9 8.104 1.496 0.641 0.524 0.875 0.375 CB 1.302 9 residues pruned to eliminate duplicates Z: 7 8.266 1.711 0.623 0.570 0.833 0.667 CA 1.363 7 residues pruned to eliminate duplicates 401 residues left after pruning, divided into chains as follows: A: 6 B: 203 C: 44 D: 148 CC for partial structure against native data = 39.47 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.533, Connect. = 0.777 for dens.mod. cycle 1 = 0.300, Contrast = 0.610, Connect. = 0.802 for dens.mod. cycle 2 = 0.301, Contrast = 0.737, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.751, Connect. = 0.830 for dens.mod. cycle 4 = 0.301, Contrast = 0.769, Connect. = 0.832 for dens.mod. cycle 5 = 0.301, Contrast = 0.777, Connect. = 0.833 for dens.mod. cycle 6 = 0.301, Contrast = 0.787, Connect. = 0.834 for dens.mod. cycle 7 = 0.301, Contrast = 0.793, Connect. = 0.835 for dens.mod. cycle 8 = 0.301, Contrast = 0.798, Connect. = 0.836 for dens.mod. cycle 9 = 0.301, Contrast = 0.801, Connect. = 0.836 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.61 - 2.86 - 2.50 - 2.27 - 2.10 - 1.98 - 1.88 - 1.80 - 1.73 - 1.67 0.738 0.756 0.752 0.752 0.735 0.742 0.729 0.706 0.651 0.600 0.892 0.915 0.905 0.889 0.866 0.872 0.877 0.854 0.784 0.723 N 6313 6295 6249 6257 6576 6072 6346 6119 6313 6146 Estimated mean FOM = 0.716 Pseudo-free CC = 73.22 % Best trace (cycle 1 with CC 46.41%) was saved as ./1vpm-1.7-parrot-mrncs/1vpm-1.7-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.2 - Setup, data input and phasing 9.9 - FFTs and peak-searches 28.0 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1084.0 - Tripeptide search 18279.1 - Chain tracing 0.0 - NCS analysis 42.5 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:47:53 Total time: 19445.87 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 325.69 Used memory is bytes: 6704608