null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:20:23 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: ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.ins Phases from ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.phi Native data from ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.hkl Listing output to ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.lst Phases output to ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.phs Poly-Ala trace output to ./2opl-1.5-parrot-mrncs/2opl-1.5-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: P 21 21 21 Allowed origin shift code: 4 60684 Reflections read from file ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.phi 60684 Reflections read from file ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.hkl 60684 Unique data, highest resolution = 1.500 Angstroms Anisotropic scaling: intensities multiplied by -0.000193h^2 +0.000014k^2 +0.000059l^2 +0.000000kl +0.000000hl +0.000000hk 45 Reflections with d > 1.700 and 0 in range 1.700 > d > 1.500 added Density sharpening factor set to 1.50 Fourier grid = 128 x 256 x 48 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.703 = 0.300, Contrast = 0.381, Connect. = 0.770 for dens.mod. cycle 1 = 0.300, Contrast = 0.475, Connect. = 0.792 for dens.mod. cycle 2 = 0.300, Contrast = 0.579, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.604, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.619, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.628, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.634, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.639, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.643, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2504 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 507 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 64.258 2.415 1.107 0.943 0.958 0.875 CB 1.863 B: 25 69.224 2.416 1.187 0.943 1.000 0.917 C 1.853 25 residues pruned to eliminate duplicates C: 28 59.782 2.236 1.262 0.923 1.000 0.852 CB 1.598 28 residues pruned to eliminate duplicates D: 25 64.203 2.501 0.944 0.949 1.000 0.875 CB 1.860 E: 25 55.370 2.453 0.923 0.925 0.958 0.875 CB 1.754 25 residues pruned to eliminate duplicates F: 9 39.511 2.527 1.076 0.865 1.000 0.875 CA 1.951 G: 27 60.643 2.296 1.268 0.938 0.962 0.808 CB 1.652 27 residues pruned to eliminate duplicates H: 20 45.407 2.346 0.844 0.878 1.000 0.895 CB 1.747 20 residues pruned to eliminate duplicates I: 25 75.190 2.500 1.207 0.951 1.000 0.958 CB 1.917 25 residues pruned to eliminate duplicates J: 25 73.770 2.432 1.334 0.937 1.000 0.833 C 1.846 25 residues pruned to eliminate duplicates K: 25 69.208 2.433 1.144 0.946 1.000 0.958 CB 1.873 25 residues pruned to eliminate duplicates L: 26 66.716 2.465 1.173 0.953 0.960 0.840 CB 1.786 26 residues pruned to eliminate duplicates M: 26 69.635 2.371 1.313 0.933 1.000 0.880 CB 1.773 26 residues pruned to eliminate duplicates N: 24 65.082 2.424 1.051 0.945 1.000 0.957 C 1.888 24 residues pruned to eliminate duplicates O: 8 41.193 2.559 1.187 0.899 1.000 0.857 CA 1.989 8 residues pruned to eliminate duplicates P: 25 65.637 2.421 1.077 0.943 1.000 0.917 CB 1.847 25 residues pruned to eliminate duplicates Q: 23 65.448 2.507 0.978 0.943 1.000 0.955 CB 1.950 23 residues pruned to eliminate duplicates R: 26 68.662 2.464 1.083 0.958 1.000 0.920 CB 1.836 26 residues pruned to eliminate duplicates S: 26 60.014 2.372 1.074 0.931 0.960 0.880 CB 1.775 26 residues pruned to eliminate duplicates T: 25 69.229 2.416 1.195 0.939 1.000 0.875 C 1.852 25 residues pruned to eliminate duplicates U: 23 64.416 2.403 1.218 0.921 1.000 0.864 CB 1.813 23 residues pruned to eliminate duplicates V: 50 31.428 1.913 0.990 0.581 0.898 0.612 CB 1.215 W: 124 98.631 2.365 1.116 0.639 0.927 0.675 CB 1.682 25 residues pruned to eliminate duplicates X: 50 55.593 2.287 0.914 0.610 0.959 0.735 CB 1.704 9 residues pruned to eliminate duplicates Y: 26 59.402 2.409 0.918 0.934 1.000 0.920 CB 1.793 26 residues pruned to eliminate duplicates Z: 9 28.964 2.334 1.040 0.870 0.875 0.875 CB 1.794 9 residues pruned to eliminate duplicates Z: 26 79.436 2.473 1.434 0.953 1.000 0.840 CB 1.816 26 residues pruned to eliminate duplicates Z: 38 61.532 2.318 1.269 0.674 0.973 0.676 CB 1.683 Z: 56 57.410 2.224 0.951 0.609 0.945 0.636 CB 1.701 56 residues pruned to eliminate duplicates Z: 27 63.563 2.396 1.124 0.937 0.962 0.808 CB 1.773 27 residues pruned to eliminate duplicates Z: 38 59.349 2.308 1.232 0.654 0.973 0.703 CB 1.686 38 residues pruned to eliminate duplicates Z: 11 22.254 2.484 1.273 0.467 0.800 0.600 CB 1.610 11 residues pruned to eliminate duplicates Z: 61 73.217 2.371 1.137 0.647 0.950 0.700 CB 1.712 61 residues pruned to eliminate duplicates Z: 10 32.153 2.266 1.089 0.875 1.000 0.778 CB 1.646 10 residues pruned to eliminate duplicates Z: 27 61.958 2.286 1.243 0.911 1.000 0.731 CB 1.679 27 residues pruned to eliminate duplicates Z: 9 28.052 2.420 0.542 0.915 1.000 1.000 CA 1.879 9 residues pruned to eliminate duplicates Z: 11 30.650 2.239 0.992 0.856 1.000 0.800 CA 1.602 11 residues pruned to eliminate duplicates Z: 9 31.397 2.391 0.881 0.866 1.000 0.750 CB 1.807 9 residues pruned to eliminate duplicates Z: 11 35.790 2.212 1.205 0.874 1.000 0.900 CA 1.689 11 residues pruned to eliminate duplicates Z: 131 89.319 2.303 0.995 0.604 0.954 0.677 CB 1.620 131 residues pruned to eliminate duplicates Z: 9 41.559 2.506 1.146 0.891 1.000 1.000 CA 1.964 9 residues pruned to eliminate duplicates Z: 125 88.791 2.256 1.027 0.628 0.952 0.661 CB 1.624 125 residues pruned to eliminate duplicates Z: 71 66.569 2.328 1.001 0.603 0.971 0.743 CB 1.593 71 residues pruned to eliminate duplicates Z: 51 69.885 2.345 1.204 0.761 0.940 0.800 CB 1.613 29 residues pruned to eliminate duplicates Z: 11 22.796 2.367 1.057 0.433 0.900 0.700 CA 1.763 11 residues pruned to eliminate duplicates Z: 26 65.622 2.398 1.157 0.924 1.000 0.800 CB 1.781 26 residues pruned to eliminate duplicates Z: 25 72.497 2.398 1.318 0.925 1.000 0.875 CB 1.869 25 residues pruned to eliminate duplicates Z: 25 70.463 2.519 1.081 0.941 1.000 0.917 CB 1.904 25 residues pruned to eliminate duplicates Z: 12 22.745 2.278 1.287 0.448 0.818 0.636 CB 1.697 Z: 51 62.075 2.360 0.987 0.612 0.980 0.780 CB 1.718 50 residues pruned to eliminate duplicates Z: 9 30.947 2.421 0.827 0.881 1.000 0.875 CA 1.791 9 residues pruned to eliminate duplicates Z: 32 58.785 2.277 1.205 0.724 1.000 0.710 CB 1.719 32 residues pruned to eliminate duplicates Z: 26 77.979 2.447 1.393 0.946 1.000 0.920 CB 1.843 26 residues pruned to eliminate duplicates Z: 27 70.704 2.388 1.284 0.941 1.000 0.885 CB 1.764 27 residues pruned to eliminate duplicates Z: 16 34.740 2.249 0.710 0.871 1.000 0.733 CB 1.701 16 residues pruned to eliminate duplicates Z: 25 70.730 2.435 1.201 0.949 1.000 0.917 CB 1.860 25 residues pruned to eliminate duplicates Z: 53 57.408 2.299 0.986 0.595 0.981 0.769 CB 1.624 53 residues pruned to eliminate duplicates Z: 73 68.348 2.346 1.058 0.589 0.931 0.681 CB 1.647 84 residues pruned to eliminate duplicates Z: 12 20.967 2.315 1.318 0.459 0.727 0.636 CB 1.690 12 residues pruned to eliminate duplicates Z: 57 50.144 2.186 0.933 0.591 0.929 0.750 CB 1.566 57 residues pruned to eliminate duplicates Z: 6 5.363 1.926 0.372 0.728 0.800 0.800 CB 0.924 6 residues pruned to eliminate duplicates Z: 53 53.825 2.265 0.910 0.567 1.000 0.750 CB 1.617 53 residues pruned to eliminate duplicates Z: 91 73.255 2.282 1.156 0.592 0.933 0.678 CB 1.540 89 residues pruned to eliminate duplicates Z: 25 71.812 2.438 1.196 0.956 1.000 0.917 C 1.881 25 residues pruned to eliminate duplicates Z: 26 65.059 2.355 1.180 0.949 1.000 0.960 CB 1.749 26 residues pruned to eliminate duplicates Z: 15 30.752 2.281 0.709 0.858 0.929 0.929 CB 1.671 15 residues pruned to eliminate duplicates Z: 28 56.504 2.334 0.941 0.927 1.000 0.926 CB 1.681 28 residues pruned to eliminate duplicates Z: 21 29.858 2.338 1.218 0.419 0.900 0.600 CB 1.556 21 residues pruned to eliminate duplicates Z: 15 32.725 2.191 0.588 0.941 1.000 0.929 CA 1.745 15 residues pruned to eliminate duplicates Z: 15 32.757 2.181 0.551 0.936 1.000 1.000 C 1.802 15 residues pruned to eliminate duplicates Z: 15 48.887 2.379 1.195 0.925 1.000 0.857 CB 1.755 15 residues pruned to eliminate duplicates Z: 16 31.480 2.226 0.647 0.872 1.000 0.867 CB 1.616 16 residues pruned to eliminate duplicates Z: 14 31.952 2.360 0.508 0.917 1.000 0.846 CB 1.758 14 residues pruned to eliminate duplicates Z: 27 64.924 2.404 1.078 0.936 1.000 0.962 CB 1.775 27 residues pruned to eliminate duplicates Z: 26 64.443 2.447 0.935 0.928 1.000 0.960 C 1.906 26 residues pruned to eliminate duplicates Z: 39 54.722 2.281 1.135 0.662 0.974 0.763 CB 1.612 39 residues pruned to eliminate duplicates Z: 27 71.443 2.391 1.334 0.933 1.000 0.923 CB 1.752 27 residues pruned to eliminate duplicates Z: 32 59.804 2.291 1.260 0.693 1.000 0.774 CB 1.739 32 residues pruned to eliminate duplicates Z: 12 18.182 2.223 1.192 0.459 0.818 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 50 59.706 2.379 1.029 0.598 0.959 0.714 CB 1.678 51 residues pruned to eliminate duplicates Z: 16 36.054 2.307 0.727 0.910 1.000 1.000 CB 1.657 16 residues pruned to eliminate duplicates Z: 31 19.826 1.620 0.742 0.725 0.967 0.767 CB 1.083 Z: 16 27.408 2.102 0.408 0.940 1.000 1.000 CA 1.660 16 residues pruned to eliminate duplicates Z: 9 32.504 2.509 0.721 0.884 1.000 1.000 CA 1.923 9 residues pruned to eliminate duplicates Z: 17 42.261 2.272 0.961 0.864 1.000 0.875 CB 1.738 17 residues pruned to eliminate duplicates Z: 28 61.294 2.348 1.042 0.926 1.000 0.815 CB 1.725 28 residues pruned to eliminate duplicates Z: 16 48.040 2.320 1.164 0.866 1.000 0.733 CB 1.809 16 residues pruned to eliminate duplicates Z: 11 26.333 2.139 1.144 0.802 0.900 0.800 C 1.550 11 residues pruned to eliminate duplicates Z: 25 20.074 2.011 0.834 0.417 0.833 0.542 CB 1.454 25 residues pruned to eliminate duplicates Z: 25 78.098 2.430 1.468 0.945 1.000 0.917 C 1.839 25 residues pruned to eliminate duplicates Z: 40 66.087 2.354 1.138 0.697 1.000 0.718 CB 1.756 39 residues pruned to eliminate duplicates Z: 25 63.263 2.487 0.928 0.948 1.000 0.917 CB 1.860 25 residues pruned to eliminate duplicates Z: 6 14.152 2.259 0.238 0.835 1.000 0.400 CB 1.695 6 residues pruned to eliminate duplicates Z: 15 40.388 2.346 0.886 0.927 1.000 0.857 CB 1.710 15 residues pruned to eliminate duplicates Z: 9 36.702 2.486 0.923 0.883 1.000 1.000 CA 1.963 9 residues pruned to eliminate duplicates Z: 25 73.042 2.420 1.347 0.940 1.000 0.833 C 1.823 25 residues pruned to eliminate duplicates Z: 15 39.545 2.400 0.779 0.926 1.000 1.000 CB 1.736 15 residues pruned to eliminate duplicates Z: 42 58.961 2.272 0.952 0.690 1.000 0.805 CB 1.745 41 residues pruned to eliminate duplicates Z: 15 35.173 2.238 0.832 0.887 1.000 0.929 CB 1.654 15 residues pruned to eliminate duplicates Z: 15 45.937 2.398 1.025 0.917 1.000 0.929 CB 1.785 15 residues pruned to eliminate duplicates Z: 25 77.759 2.517 1.231 0.959 1.000 0.917 CB 1.937 25 residues pruned to eliminate duplicates Z: 112 90.146 2.342 1.022 0.622 0.964 0.757 CB 1.670 112 residues pruned to eliminate duplicates Z: 24 71.530 2.416 1.290 0.943 1.000 0.913 C 1.868 24 residues pruned to eliminate duplicates Z: 28 51.912 2.336 1.147 0.701 0.963 0.704 CB 1.722 28 residues pruned to eliminate duplicates Z: 47 56.042 2.319 0.970 0.662 0.957 0.717 CB 1.628 47 residues pruned to eliminate duplicates Z: 16 38.033 2.330 0.788 0.869 1.000 0.933 CB 1.722 16 residues pruned to eliminate duplicates Z: 11 16.975 1.991 0.742 0.710 1.000 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 16 29.685 2.120 0.599 0.905 0.933 0.867 CA 1.724 16 residues pruned to eliminate duplicates Z: 28 61.609 2.288 1.238 0.925 1.000 0.926 CB 1.626 28 residues pruned to eliminate duplicates Z: 26 73.829 2.477 1.222 0.948 1.000 0.840 CB 1.853 26 residues pruned to eliminate duplicates Z: 17 25.575 2.011 0.526 0.795 0.938 0.750 CB 1.716 17 residues pruned to eliminate duplicates Z: 25 74.025 2.439 1.276 0.956 1.000 0.917 C 1.870 25 residues pruned to eliminate duplicates Z: 24 82.148 2.518 1.387 0.954 1.000 1.000 C 1.960 24 residues pruned to eliminate duplicates Z: 23 73.102 2.525 1.227 0.937 1.000 1.000 CB 1.928 23 residues pruned to eliminate duplicates Z: 178 92.195 2.213 1.003 0.595 0.938 0.638 CB 1.523 172 residues pruned to eliminate duplicates Z: 36 65.490 2.381 1.246 0.689 1.000 0.657 CB 1.742 37 residues pruned to eliminate duplicates Z: 16 38.944 2.211 0.895 0.896 1.000 0.733 CB 1.719 16 residues pruned to eliminate duplicates Z: 74 68.577 2.289 1.095 0.624 0.918 0.603 CB 1.623 74 residues pruned to eliminate duplicates Z: 26 70.528 2.407 1.219 0.952 1.000 0.760 CB 1.818 26 residues pruned to eliminate duplicates Z: 25 65.790 2.429 1.046 0.938 1.000 0.917 CB 1.880 25 residues pruned to eliminate duplicates Z: 33 23.025 1.779 0.769 0.678 0.969 0.656 CB 1.134 33 residues pruned to eliminate duplicates Z: 15 33.049 2.271 0.684 0.906 1.000 0.643 CB 1.643 15 residues pruned to eliminate duplicates Z: 25 71.103 2.411 1.322 0.943 1.000 0.875 C 1.797 25 residues pruned to eliminate duplicates Z: 15 41.945 2.161 1.107 0.938 1.000 1.000 C 1.712 15 residues pruned to eliminate duplicates Z: 108 95.321 2.357 1.078 0.664 0.981 0.720 CB 1.648 109 residues pruned to eliminate duplicates Z: 17 38.475 2.253 0.824 0.888 1.000 0.875 CB 1.686 17 residues pruned to eliminate duplicates Z: 16 29.616 2.182 0.987 0.647 1.000 0.667 CB 1.538 16 residues pruned to eliminate duplicates Z: 12 20.723 2.220 1.248 0.456 0.818 0.727 CA 1.601 12 residues pruned to eliminate duplicates Z: 20 13.810 1.928 0.772 0.354 0.789 0.474 CB 1.376 20 residues pruned to eliminate duplicates Z: 78 67.835 2.279 1.080 0.587 0.922 0.662 CB 1.627 78 residues pruned to eliminate duplicates Z: 60 72.744 2.344 1.075 0.654 0.983 0.729 CB 1.717 60 residues pruned to eliminate duplicates Z: 12 22.652 2.206 1.324 0.471 0.818 0.545 CB 1.678 12 residues pruned to eliminate duplicates Z: 41 61.789 2.317 1.002 0.694 0.975 0.875 CB 1.810 41 residues pruned to eliminate duplicates Z: 71 64.639 2.325 0.929 0.601 0.971 0.757 CB 1.611 71 residues pruned to eliminate duplicates Z: 55 64.044 2.302 1.233 0.624 0.926 0.648 CB 1.629 55 residues pruned to eliminate duplicates Z: 164 109.937 2.348 1.041 0.616 0.945 0.699 CB 1.704 173 residues pruned to eliminate duplicates Z: 26 54.238 2.431 0.827 0.954 0.960 0.920 CB 1.750 26 residues pruned to eliminate duplicates Z: 26 59.236 2.303 1.087 0.932 1.000 0.880 CB 1.722 26 residues pruned to eliminate duplicates Z: 9 26.030 2.133 1.332 0.882 0.875 0.875 CB 1.530 9 residues pruned to eliminate duplicates Z: 35 45.213 2.184 1.016 0.650 0.941 0.765 CB 1.627 35 residues pruned to eliminate duplicates Z: 17 28.819 2.002 0.566 0.866 1.000 0.812 CB 1.682 17 residues pruned to eliminate duplicates Z: 9 24.505 2.293 0.700 0.897 1.000 0.875 CB 1.591 9 residues pruned to eliminate duplicates Z: 11 21.496 2.301 1.462 0.494 0.800 0.700 CB 1.509 11 residues pruned to eliminate duplicates Z: 16 30.621 2.213 0.684 0.889 0.933 0.733 CB 1.637 16 residues pruned to eliminate duplicates Z: 16 25.050 2.044 0.402 0.888 1.000 0.867 CB 1.626 16 residues pruned to eliminate duplicates Z: 17 24.011 2.018 0.523 0.853 0.938 0.875 CA 1.541 17 residues pruned to eliminate duplicates Z: 125 89.983 2.324 1.097 0.598 0.927 0.677 CB 1.628 125 residues pruned to eliminate duplicates Z: 9 29.431 2.402 0.791 0.882 1.000 0.875 CB 1.750 9 residues pruned to eliminate duplicates Z: 16 35.871 2.075 0.958 0.950 1.000 0.933 C 1.572 16 residues pruned to eliminate duplicates Z: 16 35.769 2.209 0.817 0.901 1.000 0.867 CB 1.642 16 residues pruned to eliminate duplicates Z: 26 70.402 2.445 1.202 0.955 0.960 0.920 CB 1.873 26 residues pruned to eliminate duplicates Z: 28 69.252 2.356 1.289 0.935 0.963 0.852 CB 1.789 28 residues pruned to eliminate duplicates Z: 68 68.699 2.259 1.124 0.647 0.985 0.657 CB 1.547 68 residues pruned to eliminate duplicates Z: 15 39.621 2.273 0.932 0.940 1.000 0.857 CB 1.675 15 residues pruned to eliminate duplicates Z: 6 18.008 2.224 0.575 0.865 1.000 0.600 CA 1.684 6 residues pruned to eliminate duplicates Z: 92 78.281 2.333 1.106 0.592 0.956 0.692 CB 1.600 92 residues pruned to eliminate duplicates Z: 17 31.020 1.975 0.687 0.880 1.000 0.938 C 1.686 17 residues pruned to eliminate duplicates Z: 25 78.903 2.494 1.304 0.951 1.000 0.875 CB 1.932 25 residues pruned to eliminate duplicates Z: 15 14.786 2.108 0.678 0.402 0.857 0.571 CB 1.444 15 residues pruned to eliminate duplicates Z: 6 9.089 2.279 -0.019 0.853 0.800 0.600 CB 1.680 6 residues pruned to eliminate duplicates Z: 16 38.073 2.158 1.085 0.874 1.000 0.800 CB 1.591 16 residues pruned to eliminate duplicates Z: 10 22.632 2.207 0.548 0.896 1.000 1.000 CA 1.581 10 residues pruned to eliminate duplicates Z: 15 29.885 2.108 0.554 0.944 1.000 0.786 C 1.688 15 residues pruned to eliminate duplicates Z: 10 17.651 2.050 0.675 0.733 1.000 0.667 CB 1.390 10 residues pruned to eliminate duplicates Z: 10 33.894 2.262 1.194 0.849 1.000 0.889 CB 1.687 10 residues pruned to eliminate duplicates Z: 25 75.917 2.517 1.167 0.957 1.000 1.000 C 1.950 25 residues pruned to eliminate duplicates Z: 75 73.171 2.289 0.926 0.672 0.973 0.716 CB 1.691 75 residues pruned to eliminate duplicates Z: 10 24.260 2.461 1.403 0.554 0.778 0.667 CB 1.667 10 residues pruned to eliminate duplicates Z: 41 58.861 2.304 1.044 0.666 1.000 0.850 CB 1.696 41 residues pruned to eliminate duplicates Z: 17 13.642 1.965 0.588 0.510 0.875 0.438 CB 1.237 17 residues pruned to eliminate duplicates Z: 79 66.925 2.323 1.012 0.594 0.936 0.679 CB 1.584 79 residues pruned to eliminate duplicates Z: 82 71.867 2.294 1.147 0.591 0.914 0.642 CB 1.626 82 residues pruned to eliminate duplicates Z: 15 31.631 2.288 0.556 0.935 1.000 0.929 CB 1.655 15 residues pruned to eliminate duplicates Z: 9 37.245 2.353 1.197 0.899 1.000 1.000 CA 1.820 9 residues pruned to eliminate duplicates Z: 9 8.949 1.674 0.515 0.881 0.750 0.625 CB 1.205 9 residues pruned to eliminate duplicates Z: 41 67.345 2.324 1.226 0.687 1.000 0.725 CB 1.734 41 residues pruned to eliminate duplicates Z: 16 23.360 2.068 0.478 0.910 1.000 0.800 CB 1.399 16 residues pruned to eliminate duplicates Z: 67 64.923 2.252 1.107 0.581 0.924 0.712 CB 1.686 67 residues pruned to eliminate duplicates Z: 21 25.863 2.264 0.797 0.433 0.850 0.400 CB 1.792 21 residues pruned to eliminate duplicates Z: 166 113.972 2.350 1.030 0.630 0.982 0.703 CB 1.676 166 residues pruned to eliminate duplicates Z: 37 54.137 2.279 0.897 0.703 1.000 0.722 CB 1.735 37 residues pruned to eliminate duplicates Z: 16 36.358 2.255 0.893 0.831 1.000 0.733 CB 1.652 16 residues pruned to eliminate duplicates Z: 90 65.002 2.277 1.042 0.571 0.899 0.697 CB 1.540 90 residues pruned to eliminate duplicates Z: 37 59.059 2.352 1.198 0.661 0.972 0.639 CB 1.687 37 residues pruned to eliminate duplicates Z: 34 22.667 1.750 0.803 0.687 0.909 0.697 CB 1.158 65 residues pruned to eliminate duplicates Z: 15 45.086 2.362 1.046 0.930 1.000 0.929 CB 1.744 15 residues pruned to eliminate duplicates Z: 41 59.237 2.311 1.079 0.665 0.975 0.825 CB 1.716 41 residues pruned to eliminate duplicates Z: 9 38.459 2.451 1.102 0.893 1.000 1.000 C 1.896 9 residues pruned to eliminate duplicates Z: 6 4.468 2.136 0.114 0.360 0.600 0.600 CA 1.627 6 residues pruned to eliminate duplicates Z: 82 69.151 2.277 1.142 0.598 0.926 0.667 CB 1.551 82 residues pruned to eliminate duplicates Z: 43 66.166 2.383 1.117 0.741 0.929 0.762 CB 1.756 43 residues pruned to eliminate duplicates Z: 16 25.385 2.210 0.514 0.830 0.933 0.733 CB 1.578 16 residues pruned to eliminate duplicates Z: 38 48.677 2.305 0.902 0.665 0.946 0.676 CB 1.657 38 residues pruned to eliminate duplicates Z: 11 25.730 2.306 1.192 0.513 0.900 0.600 CB 1.766 11 residues pruned to eliminate duplicates Z: 25 75.428 2.438 1.336 0.954 1.000 0.917 C 1.859 25 residues pruned to eliminate duplicates Z: 27 55.274 2.363 0.927 0.926 1.000 0.885 CB 1.669 27 residues pruned to eliminate duplicates Z: 25 72.006 2.391 1.380 0.947 1.000 0.750 C 1.785 25 residues pruned to eliminate duplicates Z: 55 60.536 2.287 1.116 0.686 0.926 0.704 CB 1.551 55 residues pruned to eliminate duplicates Z: 10 14.184 2.064 0.495 0.812 0.889 0.778 CB 1.314 10 residues pruned to eliminate duplicates Z: 10 30.134 2.148 0.923 0.914 1.000 1.000 CB 1.720 10 residues pruned to eliminate duplicates Z: 10 7.644 1.925 0.492 0.382 0.778 0.556 CB 1.293 9 residues pruned to eliminate duplicates Z: 16 34.939 2.096 1.044 0.889 0.933 0.933 C 1.624 16 residues pruned to eliminate duplicates Z: 72 70.771 2.286 1.198 0.609 0.915 0.704 CB 1.646 72 residues pruned to eliminate duplicates Z: 59 67.215 2.348 1.197 0.663 0.879 0.724 CB 1.673 59 residues pruned to eliminate duplicates Z: 38 55.045 2.323 0.963 0.682 0.973 0.784 CB 1.725 38 residues pruned to eliminate duplicates Z: 10 22.668 2.407 1.170 0.506 0.889 0.667 CB 1.617 10 residues pruned to eliminate duplicates Z: 98 91.693 2.318 1.203 0.636 0.948 0.711 CB 1.692 98 residues pruned to eliminate duplicates Z: 41 59.084 2.301 0.975 0.690 0.975 0.800 CB 1.772 41 residues pruned to eliminate duplicates Z: 9 44.028 2.512 1.175 0.909 1.000 0.875 CB 2.023 9 residues pruned to eliminate duplicates Z: 24 69.110 2.400 1.276 0.944 1.000 0.957 C 1.827 24 residues pruned to eliminate duplicates Z: 53 52.247 2.274 0.841 0.597 0.981 0.731 CB 1.609 53 residues pruned to eliminate duplicates Z: 43 51.100 2.247 1.015 0.607 0.952 0.738 CB 1.652 43 residues pruned to eliminate duplicates Z: 37 65.400 2.392 1.234 0.736 0.944 0.667 CB 1.747 37 residues pruned to eliminate duplicates Z: 26 77.468 2.416 1.375 0.952 1.000 0.760 CB 1.860 26 residues pruned to eliminate duplicates Z: 52 58.631 2.325 0.901 0.632 1.000 0.824 CB 1.641 52 residues pruned to eliminate duplicates Z: 124 93.023 2.366 1.036 0.625 0.927 0.724 CB 1.671 124 residues pruned to eliminate duplicates Z: 7 3.937 1.487 0.620 0.369 0.667 0.333 CA 1.152 7 residues pruned to eliminate duplicates Z: 47 66.974 2.300 1.352 0.735 0.935 0.783 CB 1.581 47 residues pruned to eliminate duplicates Z: 27 64.154 2.316 1.219 0.918 1.000 0.769 CB 1.726 27 residues pruned to eliminate duplicates Z: 10 5.666 1.693 0.186 0.354 1.000 0.667 N 1.102 10 residues pruned to eliminate duplicates Z: 26 73.447 2.398 1.408 0.945 0.960 0.760 CB 1.834 26 residues pruned to eliminate duplicates Z: 38 44.569 2.174 1.130 0.616 0.946 0.730 CB 1.499 38 residues pruned to eliminate duplicates Z: 126 98.074 2.341 1.106 0.610 0.952 0.720 CB 1.684 126 residues pruned to eliminate duplicates Z: 52 59.924 2.300 1.032 0.623 0.980 0.824 CB 1.631 52 residues pruned to eliminate duplicates Z: 15 32.740 2.201 0.594 0.952 1.000 0.929 CB 1.718 15 residues pruned to eliminate duplicates Z: 136 89.294 2.302 1.046 0.601 0.926 0.681 CB 1.601 136 residues pruned to eliminate duplicates Z: 81 73.219 2.310 1.171 0.614 0.938 0.613 CB 1.563 81 residues pruned to eliminate duplicates Z: 8 15.060 2.100 0.414 0.786 1.000 0.714 CB 1.491 8 residues pruned to eliminate duplicates Z: 35 24.213 2.121 0.859 0.379 0.853 0.441 CB 1.405 35 residues pruned to eliminate duplicates Z: 41 50.740 2.254 0.906 0.669 0.950 0.725 CB 1.681 41 residues pruned to eliminate duplicates Z: 50 76.198 2.336 1.319 0.789 0.980 0.816 CB 1.592 50 residues pruned to eliminate duplicates Z: 17 40.733 2.012 1.069 0.893 1.000 0.875 CA 1.756 17 residues pruned to eliminate duplicates Z: 16 39.588 2.121 0.953 0.929 1.000 0.733 C 1.727 16 residues pruned to eliminate duplicates Z: 25 73.350 2.405 1.346 0.949 1.000 0.958 C 1.832 25 residues pruned to eliminate duplicates Z: 15 47.800 2.335 1.246 0.904 1.000 0.643 CB 1.735 15 residues pruned to eliminate duplicates Z: 75 66.642 2.296 1.016 0.629 0.932 0.662 CB 1.590 75 residues pruned to eliminate duplicates Z: 8 12.959 1.965 0.747 0.743 0.857 0.571 CB 1.339 8 residues pruned to eliminate duplicates Z: 80 69.965 2.309 0.997 0.603 0.975 0.759 CB 1.588 80 residues pruned to eliminate duplicates Z: 11 22.467 2.364 1.322 0.497 0.800 0.600 CB 1.622 11 residues pruned to eliminate duplicates Z: 25 71.901 2.428 1.279 0.947 1.000 0.875 C 1.833 25 residues pruned to eliminate duplicates Z: 14 27.982 2.220 0.488 0.914 1.000 0.923 CB 1.661 14 residues pruned to eliminate duplicates Z: 15 20.778 2.133 1.288 0.437 0.857 0.714 CB 1.418 15 residues pruned to eliminate duplicates Z: 43 71.660 2.385 1.261 0.727 0.952 0.786 CB 1.755 43 residues pruned to eliminate duplicates Z: 75 68.334 2.289 1.154 0.641 0.905 0.689 CB 1.559 75 residues pruned to eliminate duplicates Z: 28 65.988 2.261 1.327 0.929 1.000 0.852 CB 1.688 28 residues pruned to eliminate duplicates Z: 17 41.515 2.079 1.173 0.937 1.000 0.750 CB 1.598 17 residues pruned to eliminate duplicates Z: 84 66.033 2.279 1.014 0.582 0.940 0.651 CB 1.553 84 residues pruned to eliminate duplicates Z: 10 35.739 2.325 1.233 0.884 1.000 0.889 CB 1.658 10 residues pruned to eliminate duplicates Z: 40 59.041 2.328 1.111 0.665 0.974 0.795 CB 1.695 40 residues pruned to eliminate duplicates Z: 13 12.268 1.945 0.743 0.370 0.833 0.500 CA 1.440 13 residues pruned to eliminate duplicates Z: 78 69.808 2.320 0.962 0.608 0.974 0.818 CB 1.620 78 residues pruned to eliminate duplicates Z: 43 57.667 2.284 0.961 0.665 0.976 0.833 CB 1.747 43 residues pruned to eliminate duplicates Z: 43 28.929 2.265 0.867 0.386 0.810 0.452 CB 1.472 43 residues pruned to eliminate duplicates Z: 9 31.466 2.222 1.480 0.651 1.000 0.750 CB 1.755 10 residues pruned to eliminate duplicates Z: 18 18.811 2.407 0.719 0.298 0.882 0.353 CB 1.566 18 residues pruned to eliminate duplicates Z: 9 25.216 2.419 0.450 0.889 1.000 1.000 CA 1.829 9 residues pruned to eliminate duplicates Z: 34 21.851 1.736 0.761 0.650 0.939 0.667 CB 1.151 34 residues pruned to eliminate duplicates Z: 59 66.507 2.386 1.058 0.650 0.897 0.707 CB 1.725 59 residues pruned to eliminate duplicates Z: 96 80.581 2.303 1.166 0.600 0.937 0.684 CB 1.609 96 residues pruned to eliminate duplicates Z: 7 7.011 1.654 0.587 0.763 0.833 0.667 CA 1.036 7 residues pruned to eliminate duplicates Z: 7 3.316 1.616 0.460 0.260 0.833 0.500 CA 0.905 7 residues pruned to eliminate duplicates Z: 43 61.553 2.294 1.120 0.743 0.929 0.690 CB 1.692 43 residues pruned to eliminate duplicates Z: 8 14.144 2.071 0.321 0.794 1.000 0.429 CB 1.509 8 residues pruned to eliminate duplicates Z: 58 62.754 2.331 0.994 0.619 0.930 0.684 CB 1.719 58 residues pruned to eliminate duplicates Z: 107 92.417 2.329 1.103 0.663 0.972 0.774 CB 1.621 107 residues pruned to eliminate duplicates Z: 8 7.138 1.873 0.538 0.311 0.714 0.429 CB 1.617 8 residues pruned to eliminate duplicates Z: 68 64.664 2.307 1.030 0.612 0.910 0.716 CB 1.666 68 residues pruned to eliminate duplicates Z: 33 50.179 2.387 0.806 0.702 0.969 0.656 CB 1.767 33 residues pruned to eliminate duplicates Z: 26 63.761 2.339 1.028 0.947 1.000 0.920 CB 1.858 26 residues pruned to eliminate duplicates Z: 6 7.597 1.555 0.972 0.663 1.000 0.600 C 0.952 6 residues pruned to eliminate duplicates Z: 42 52.731 2.250 0.807 0.694 1.000 0.732 CB 1.696 42 residues pruned to eliminate duplicates Z: 15 33.106 2.340 0.591 0.927 1.000 0.929 CB 1.667 15 residues pruned to eliminate duplicates Z: 61 57.163 2.206 1.090 0.623 0.917 0.767 CB 1.555 61 residues pruned to eliminate duplicates Z: 67 73.074 2.351 1.072 0.628 0.955 0.682 CB 1.715 67 residues pruned to eliminate duplicates Z: 60 73.403 2.371 1.222 0.658 0.915 0.678 CB 1.711 60 residues pruned to eliminate duplicates Z: 72 64.086 2.331 1.002 0.596 0.887 0.704 CB 1.675 72 residues pruned to eliminate duplicates Z: 72 65.511 2.317 1.028 0.560 0.901 0.620 CB 1.730 72 residues pruned to eliminate duplicates Z: 41 53.546 2.294 0.992 0.633 0.950 0.750 CB 1.721 41 residues pruned to eliminate duplicates Z: 8 6.948 1.792 0.723 0.464 0.857 0.857 CB 1.030 8 residues pruned to eliminate duplicates Z: 45 47.386 2.206 0.849 0.617 0.955 0.864 CB 1.642 45 residues pruned to eliminate duplicates Z: 8 2.390 1.616 0.779 0.253 0.571 0.571 CB 0.730 Z: 42 51.531 2.277 0.887 0.658 0.951 0.732 CB 1.699 42 residues pruned to eliminate duplicates Z: 35 28.964 2.059 0.834 0.500 0.912 0.588 CB 1.442 35 residues pruned to eliminate duplicates Z: 67 79.634 2.352 1.239 0.686 0.970 0.848 CB 1.618 67 residues pruned to eliminate duplicates Z: 67 66.638 2.302 0.959 0.629 0.955 0.788 CB 1.688 67 residues pruned to eliminate duplicates Z: 85 81.799 2.316 1.116 0.653 0.940 0.631 CB 1.680 108 residues pruned to eliminate duplicates Z: 76 67.451 2.289 1.018 0.609 0.960 0.667 CB 1.584 76 residues pruned to eliminate duplicates Z: 14 19.918 2.071 0.734 0.583 1.000 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 8 6.442 1.874 0.409 0.374 0.714 0.286 C 1.478 8 residues pruned to eliminate duplicates Z: 52 67.584 2.378 1.141 0.652 0.922 0.667 CB 1.751 52 residues pruned to eliminate duplicates Z: 6 5.762 1.649 0.472 0.482 0.800 0.400 CB 1.352 6 residues pruned to eliminate duplicates Z: 15 47.781 2.342 1.264 0.946 0.929 0.857 CB 1.793 15 residues pruned to eliminate duplicates Z: 81 65.739 2.292 1.018 0.620 0.925 0.713 CB 1.533 81 residues pruned to eliminate duplicates Z: 6 14.385 1.818 1.617 0.611 1.000 0.600 C 1.217 Z: 31 21.031 1.652 0.796 0.693 0.967 0.700 CB 1.122 31 residues pruned to eliminate duplicates Z: 51 60.359 2.303 1.024 0.664 0.960 0.700 CB 1.638 51 residues pruned to eliminate duplicates Z: 73 62.274 2.331 1.002 0.565 0.889 0.708 CB 1.661 73 residues pruned to eliminate duplicates Z: 16 22.191 2.040 0.705 0.721 1.000 0.800 CB 1.349 16 residues pruned to eliminate duplicates Z: 40 52.479 2.334 0.873 0.656 0.974 0.692 CB 1.707 40 residues pruned to eliminate duplicates Z: 71 59.269 2.245 1.033 0.574 0.900 0.671 CB 1.605 71 residues pruned to eliminate duplicates Z: 64 63.938 2.365 0.995 0.601 0.921 0.714 CB 1.684 64 residues pruned to eliminate duplicates Z: 16 28.901 2.165 0.781 0.871 0.933 0.800 CB 1.512 16 residues pruned to eliminate duplicates Z: 59 71.321 2.319 1.270 0.697 0.948 0.793 CB 1.568 59 residues pruned to eliminate duplicates Z: 13 38.824 2.223 1.037 0.947 1.000 0.917 CB 1.710 13 residues pruned to eliminate duplicates Z: 35 55.429 2.254 1.243 0.665 0.971 0.706 CB 1.663 35 residues pruned to eliminate duplicates Z: 33 25.362 2.161 0.750 0.421 0.906 0.531 CB 1.420 33 residues pruned to eliminate duplicates Z: 8 12.496 1.967 0.785 0.466 1.000 0.429 CB 1.393 8 residues pruned to eliminate duplicates Z: 19 39.111 2.318 0.945 0.644 1.000 0.833 CB 1.788 19 residues pruned to eliminate duplicates Z: 52 62.802 2.303 1.070 0.628 0.980 0.784 CB 1.668 52 residues pruned to eliminate duplicates Z: 24 46.001 2.284 0.841 0.909 1.000 0.826 CB 1.619 24 residues pruned to eliminate duplicates Z: 16 22.483 1.989 1.207 0.543 0.867 0.800 CA 1.463 16 residues pruned to eliminate duplicates Z: 10 8.042 1.911 1.117 0.481 0.778 0.556 CB 0.869 Z: 15 39.005 2.339 0.785 0.914 1.000 0.929 CB 1.766 15 residues pruned to eliminate duplicates Z: 95 86.554 2.336 1.202 0.607 0.947 0.713 CB 1.655 95 residues pruned to eliminate duplicates Z: 25 80.487 2.432 1.521 0.962 1.000 0.917 C 1.833 25 residues pruned to eliminate duplicates Z: 51 56.304 2.293 0.986 0.617 0.980 0.800 CB 1.597 51 residues pruned to eliminate duplicates Z: 60 52.185 2.246 0.977 0.594 0.864 0.644 CB 1.618 60 residues pruned to eliminate duplicates Z: 17 26.182 2.140 0.426 0.877 1.000 0.875 CB 1.558 17 residues pruned to eliminate duplicates Z: 49 60.129 2.332 0.963 0.613 0.979 0.667 CB 1.740 49 residues pruned to eliminate duplicates Z: 15 34.634 2.303 0.751 0.906 1.000 0.857 CB 1.633 15 residues pruned to eliminate duplicates Z: 53 50.051 2.236 0.988 0.587 0.942 0.692 CB 1.524 53 residues pruned to eliminate duplicates Z: 31 39.112 2.244 0.878 0.643 0.933 0.733 CB 1.587 31 residues pruned to eliminate duplicates Z: 8 8.233 2.128 1.044 0.360 0.571 0.571 CB 1.455 6 residues pruned to eliminate duplicates Z: 30 50.907 2.304 1.197 0.696 0.966 0.724 CB 1.618 30 residues pruned to eliminate duplicates Z: 8 2.284 1.586 0.540 0.322 0.714 0.571 CB 0.602 8 residues pruned to eliminate duplicates Z: 13 4.740 1.542 0.538 0.293 0.750 0.500 CB 0.970 13 residues pruned to eliminate duplicates Z: 28 14.761 1.534 0.633 0.688 0.889 0.630 CB 1.074 Z: 47 59.842 2.314 0.947 0.654 1.000 0.739 CB 1.697 47 residues pruned to eliminate duplicates Z: 36 56.078 2.355 1.130 0.684 0.943 0.657 CB 1.694 36 residues pruned to eliminate duplicates Z: 15 14.792 2.053 0.712 0.488 0.857 0.643 CB 1.328 23 residues pruned to eliminate duplicates Z: 13 11.033 2.028 0.770 0.219 0.833 0.250 C 1.480 13 residues pruned to eliminate duplicates Z: 77 62.844 2.243 1.060 0.601 0.895 0.605 CB 1.583 87 residues pruned to eliminate duplicates Z: 10 13.906 1.749 0.625 0.810 1.000 0.556 CA 1.245 10 residues pruned to eliminate duplicates Z: 7 7.864 1.606 0.276 0.880 1.000 0.667 CB 1.136 Z: 75 64.194 2.241 1.204 0.607 0.905 0.608 CB 1.508 82 residues pruned to eliminate duplicates Z: 6 10.646 1.832 1.288 0.612 1.000 1.000 CB 1.021 6 residues pruned to eliminate duplicates Z: 32 52.125 2.289 1.058 0.722 1.000 0.742 CB 1.626 32 residues pruned to eliminate duplicates Z: 71 56.280 2.260 0.951 0.574 0.900 0.643 CB 1.577 71 residues pruned to eliminate duplicates Z: 19 20.534 2.302 0.844 0.347 0.778 0.389 CB 1.730 19 residues pruned to eliminate duplicates Z: 10 7.937 1.792 0.336 0.414 0.778 0.444 CB 1.554 10 residues pruned to eliminate duplicates Z: 38 58.566 2.227 1.232 0.703 0.973 0.730 CB 1.655 38 residues pruned to eliminate duplicates Z: 9 2.595 1.350 0.683 0.276 0.750 0.375 CB 0.693 9 residues pruned to eliminate duplicates Z: 50 60.394 2.323 0.957 0.626 0.980 0.816 CB 1.721 50 residues pruned to eliminate duplicates Z: 39 50.057 2.271 0.913 0.677 0.974 0.684 CB 1.631 39 residues pruned to eliminate duplicates Z: 27 67.821 2.382 1.288 0.934 0.962 0.885 CB 1.770 27 residues pruned to eliminate duplicates Z: 82 69.915 2.269 1.115 0.614 0.938 0.716 CB 1.549 82 residues pruned to eliminate duplicates Z: 21 9.339 1.458 0.267 0.714 1.000 0.700 CB 0.931 18 residues pruned to eliminate duplicates Z: 25 23.757 2.003 0.819 0.481 0.875 0.583 CB 1.550 25 residues pruned to eliminate duplicates Z: 22 22.965 2.191 0.837 0.387 0.857 0.476 CB 1.637 22 residues pruned to eliminate duplicates Z: 12 10.251 1.817 0.700 0.375 0.818 0.636 CB 1.398 12 residues pruned to eliminate duplicates Z: 8 4.535 1.465 0.206 0.861 0.857 0.857 CB 0.832 Z: 27 70.645 2.304 1.408 0.937 1.000 0.846 CB 1.738 27 residues pruned to eliminate duplicates Z: 21 31.817 2.192 0.842 0.594 1.000 0.750 CB 1.612 21 residues pruned to eliminate duplicates Z: 37 45.089 2.237 0.786 0.669 0.944 0.806 CB 1.703 37 residues pruned to eliminate duplicates Z: 26 62.947 2.446 1.053 0.951 0.960 0.920 CB 1.800 26 residues pruned to eliminate duplicates Z: 28 51.186 2.354 0.967 0.734 0.963 0.889 CB 1.791 28 residues pruned to eliminate duplicates Z: 129 92.610 2.347 0.997 0.594 0.961 0.664 CB 1.662 129 residues pruned to eliminate duplicates Z: 33 23.506 1.717 0.836 0.711 0.938 0.688 CB 1.161 33 residues pruned to eliminate duplicates Z: 12 17.474 2.324 0.918 0.395 0.818 0.727 CB 1.615 12 residues pruned to eliminate duplicates Z: 33 49.501 2.262 0.917 0.668 0.969 0.812 CB 1.783 33 residues pruned to eliminate duplicates Z: 18 30.060 2.191 0.560 0.900 1.000 1.000 CB 1.524 18 residues pruned to eliminate duplicates Z: 65 34.001 1.928 0.850 0.549 0.906 0.578 CB 1.254 65 residues pruned to eliminate duplicates 6 1.951 1.413 0.612 0.388 0.800 0.600 CB 0.539 ? Z: 64 46.619 2.197 0.918 0.537 0.952 0.571 CB 1.411 64 residues pruned to eliminate duplicates Z: 29 58.920 2.385 1.213 0.677 1.000 0.857 CB 1.792 29 residues pruned to eliminate duplicates Z: 42 59.962 2.289 1.111 0.694 0.976 0.805 CB 1.664 42 residues pruned to eliminate duplicates Z: 16 26.351 2.187 0.358 0.921 1.000 0.933 CB 1.612 16 residues pruned to eliminate duplicates Z: 52 68.707 2.382 1.138 0.661 0.922 0.667 CB 1.766 52 residues pruned to eliminate duplicates Z: 34 72.430 2.347 1.343 0.796 1.000 0.727 CB 1.769 34 residues pruned to eliminate duplicates Z: 12 23.974 2.174 0.577 0.853 1.000 1.000 CB 1.559 12 residues pruned to eliminate duplicates Z: 12 16.043 1.924 1.003 0.514 0.909 0.818 CA 1.361 12 residues pruned to eliminate duplicates Z: 8 10.713 1.806 0.653 0.785 0.857 0.714 CB 1.231 8 residues pruned to eliminate duplicates Z: 67 66.264 2.335 1.120 0.580 0.909 0.667 CB 1.678 67 residues pruned to eliminate duplicates Z: 32 50.955 2.283 0.987 0.682 0.968 0.806 CB 1.763 32 residues pruned to eliminate duplicates Z: 35 52.393 2.200 1.145 0.708 1.000 0.706 CB 1.577 35 residues pruned to eliminate duplicates Z: 28 26.279 2.169 0.645 0.490 0.926 0.630 CB 1.547 28 residues pruned to eliminate duplicates Z: 37 49.373 2.232 0.922 0.701 0.972 0.833 CB 1.642 37 residues pruned to eliminate duplicates Z: 37 47.304 2.222 1.008 0.657 0.944 0.806 CB 1.617 37 residues pruned to eliminate duplicates Z: 16 40.638 2.077 1.098 0.948 1.000 0.867 C 1.663 16 residues pruned to eliminate duplicates Z: 16 34.428 2.336 0.999 0.626 0.933 0.667 CB 1.810 16 residues pruned to eliminate duplicates Z: 53 45.178 2.299 0.990 0.455 0.904 0.558 CB 1.586 53 residues pruned to eliminate duplicates Z: 24 30.135 2.031 0.988 0.558 0.957 0.783 CB 1.539 24 residues pruned to eliminate duplicates Z: 39 47.469 2.345 0.835 0.660 0.921 0.632 CB 1.676 39 residues pruned to eliminate duplicates Z: 12 20.213 2.071 0.773 0.627 0.909 0.727 C 1.620 12 residues pruned to eliminate duplicates Z: 106 101.494 2.344 1.180 0.684 0.981 0.781 CB 1.669 106 residues pruned to eliminate duplicates Z: 7 10.107 2.003 0.196 0.767 1.000 0.500 CB 1.360 7 residues pruned to eliminate duplicates Z: 30 50.758 2.212 0.844 0.906 1.000 0.897 CB 1.644 30 residues pruned to eliminate duplicates Z: 51 55.120 2.275 0.985 0.626 0.960 0.800 CB 1.597 51 residues pruned to eliminate duplicates Z: 45 33.358 2.239 0.964 0.432 0.886 0.477 CB 1.385 45 residues pruned to eliminate duplicates Z: 16 17.047 2.036 0.967 0.435 0.867 0.800 CB 1.356 16 residues pruned to eliminate duplicates Z: 15 16.786 1.843 0.762 0.634 0.929 0.714 CB 1.312 15 residues pruned to eliminate duplicates Z: 70 74.988 2.339 1.134 0.665 0.957 0.725 CB 1.623 70 residues pruned to eliminate duplicates Z: 14 34.924 2.104 1.009 0.935 1.000 0.769 CB 1.597 14 residues pruned to eliminate duplicates Z: 38 24.895 2.049 0.886 0.387 0.865 0.514 CB 1.381 38 residues pruned to eliminate duplicates Z: 14 19.870 2.402 0.930 0.327 0.923 0.308 CB 1.557 14 residues pruned to eliminate duplicates Z: 11 11.349 1.908 0.678 0.412 0.900 0.600 C 1.366 11 residues pruned to eliminate duplicates Z: 71 66.319 2.244 1.136 0.660 0.900 0.686 CB 1.585 79 residues pruned to eliminate duplicates Z: 89 61.768 2.234 1.062 0.553 0.909 0.602 CB 1.494 89 residues pruned to eliminate duplicates Z: 27 33.095 2.258 0.981 0.508 0.923 0.769 CB 1.559 27 residues pruned to eliminate duplicates Z: 8 6.476 1.961 -0.241 0.689 0.857 0.143 O 1.613 Z: 21 32.112 2.254 0.845 0.626 0.950 0.750 CB 1.614 21 residues pruned to eliminate duplicates Z: 25 41.360 2.265 1.021 0.674 1.000 0.875 CB 1.571 25 residues pruned to eliminate duplicates Z: 8 7.019 1.720 0.678 0.739 1.000 0.857 N 0.742 Z: 64 60.557 2.309 1.014 0.580 0.905 0.683 CB 1.680 64 residues pruned to eliminate duplicates Z: 21 24.655 2.192 1.003 0.475 0.850 0.650 CB 1.515 21 residues pruned to eliminate duplicates Z: 32 17.664 1.605 0.691 0.714 1.000 0.774 CB 0.962 31 residues pruned to eliminate duplicates Z: 6 8.700 1.782 1.013 0.622 0.800 0.800 CA 1.208 6 residues pruned to eliminate duplicates Z: 22 35.958 2.134 1.009 0.670 1.000 0.714 CB 1.564 22 residues pruned to eliminate duplicates Z: 7 6.676 1.540 0.109 0.826 1.000 0.667 CA 1.202 Z: 9 9.214 1.958 0.818 0.518 0.750 0.750 CB 1.199 9 residues pruned to eliminate duplicates Z: 23 19.074 1.998 0.752 0.485 0.864 0.591 CB 1.366 23 residues pruned to eliminate duplicates Z: 35 44.822 2.204 1.045 0.668 0.941 0.706 CB 1.552 35 residues pruned to eliminate duplicates Z: 9 3.786 1.351 0.579 0.279 0.875 0.500 N 0.920 Z: 20 60.754 2.353 1.343 0.922 1.000 0.895 CB 1.778 20 residues pruned to eliminate duplicates Z: 44 37.159 2.230 0.817 0.463 0.907 0.488 CB 1.601 44 residues pruned to eliminate duplicates 7 1.403 1.483 0.462 0.241 0.667 0.167 CB 0.535 ? 320 residues left after pruning, divided into chains as follows: A: 286 B: 28 C: 6 CC for partial structure against native data = 42.09 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.465, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.535, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.633, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.638, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.647, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2702 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 541 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 59.080 2.483 0.759 0.911 1.000 0.917 C 1.957 B: 25 74.906 2.535 1.133 0.949 1.000 0.958 C 1.952 25 residues pruned to eliminate duplicates C: 21 64.387 2.450 1.191 0.918 1.000 0.900 C 1.891 21 residues pruned to eliminate duplicates D: 28 62.580 2.396 1.021 0.914 0.963 0.778 CB 1.827 E: 25 63.910 2.477 0.844 0.949 1.000 0.875 C 1.971 25 residues pruned to eliminate duplicates F: 25 60.313 2.473 0.778 0.944 1.000 0.917 CB 1.940 25 residues pruned to eliminate duplicates G: 11 30.008 2.363 1.446 0.597 0.900 0.700 CB 1.662 H: 28 63.503 2.382 1.007 0.924 1.000 0.778 CB 1.795 28 residues pruned to eliminate duplicates I: 28 73.679 2.407 1.213 0.941 1.000 0.926 CB 1.848 28 residues pruned to eliminate duplicates J: 28 64.664 2.406 0.982 0.923 1.000 0.778 CB 1.833 28 residues pruned to eliminate duplicates K: 26 61.701 2.438 0.926 0.909 0.960 0.880 C 1.943 25 residues pruned to eliminate duplicates L: 26 63.042 2.531 0.817 0.939 1.000 1.000 CB 1.905 26 residues pruned to eliminate duplicates M: 26 59.307 2.436 0.794 0.940 1.000 0.880 CB 1.885 26 residues pruned to eliminate duplicates N: 28 65.979 2.376 1.038 0.924 1.000 0.926 CB 1.841 28 residues pruned to eliminate duplicates O: 26 54.840 2.408 0.742 0.909 1.000 0.880 CB 1.855 26 residues pruned to eliminate duplicates P: 27 60.576 2.449 0.873 0.929 0.962 0.846 CB 1.886 27 residues pruned to eliminate duplicates Q: 19 29.455 2.348 1.287 0.435 0.778 0.556 CB 1.777 11 residues pruned to eliminate duplicates R: 25 69.457 2.512 1.029 0.942 1.000 0.875 C 1.929 26 residues pruned to eliminate duplicates S: 27 61.331 2.366 0.987 0.935 1.000 0.846 CB 1.783 27 residues pruned to eliminate duplicates T: 81 74.563 2.421 0.912 0.597 0.938 0.688 CB 1.751 25 residues pruned to eliminate duplicates U: 125 107.397 2.436 1.001 0.623 0.976 0.677 CB 1.806 81 residues pruned to eliminate duplicates V: 28 67.859 2.395 1.126 0.928 1.000 0.852 CB 1.796 28 residues pruned to eliminate duplicates W: 40 28.522 2.172 0.736 0.432 0.872 0.436 CB 1.490 31 residues pruned to eliminate duplicates X: 27 64.369 2.367 1.095 0.918 1.000 0.885 CB 1.796 27 residues pruned to eliminate duplicates Y: 25 73.676 2.481 1.287 0.943 0.958 0.792 C 1.916 25 residues pruned to eliminate duplicates Z: 9 31.499 2.606 0.602 0.881 1.000 1.000 CA 1.932 Z: 9 29.819 2.505 0.523 0.887 1.000 1.000 CA 1.993 9 residues pruned to eliminate duplicates Z: 28 62.047 2.403 0.888 0.939 1.000 0.852 CB 1.829 28 residues pruned to eliminate duplicates Z: 26 75.258 2.468 1.162 0.940 1.000 0.880 C 1.959 26 residues pruned to eliminate duplicates Z: 25 62.364 2.445 1.040 0.926 0.958 0.917 CB 1.868 25 residues pruned to eliminate duplicates Z: 124 103.114 2.452 0.952 0.618 0.951 0.707 CB 1.826 124 residues pruned to eliminate duplicates Z: 9 38.944 2.608 0.959 0.903 1.000 1.000 CA 1.920 9 residues pruned to eliminate duplicates Z: 10 28.233 2.419 0.579 0.890 1.000 1.000 CA 1.772 10 residues pruned to eliminate duplicates Z: 26 80.384 2.532 1.191 0.942 1.000 0.880 C 2.010 28 residues pruned to eliminate duplicates Z: 28 68.350 2.398 1.057 0.953 1.000 0.926 CB 1.836 28 residues pruned to eliminate duplicates Z: 144 105.007 2.420 0.978 0.588 0.958 0.727 CB 1.760 144 residues pruned to eliminate duplicates Z: 11 32.464 2.223 0.884 0.897 1.000 1.000 C 1.755 11 residues pruned to eliminate duplicates Z: 125 102.728 2.429 1.013 0.621 0.935 0.710 CB 1.799 125 residues pruned to eliminate duplicates Z: 10 34.326 2.264 0.971 0.894 1.000 0.889 CB 1.840 10 residues pruned to eliminate duplicates Z: 28 74.937 2.410 1.190 0.923 1.000 0.889 CB 1.920 26 residues pruned to eliminate duplicates Z: 10 27.426 2.371 0.755 0.790 0.889 0.889 C 1.916 10 residues pruned to eliminate duplicates Z: 26 74.269 2.506 1.110 0.937 1.000 0.760 C 1.954 26 residues pruned to eliminate duplicates Z: 9 35.084 2.474 0.861 0.869 1.000 1.000 CA 1.969 9 residues pruned to eliminate duplicates Z: 14 38.566 2.413 0.555 0.942 1.000 1.000 C 1.977 Z: 25 70.217 2.487 1.085 0.942 1.000 0.917 C 1.917 25 residues pruned to eliminate duplicates Z: 16 42.020 2.407 0.773 0.882 1.000 0.733 CA 1.840 16 residues pruned to eliminate duplicates Z: 6 26.916 2.612 0.585 0.870 1.000 1.000 C 2.122 6 residues pruned to eliminate duplicates Z: 16 28.153 2.169 0.321 0.927 1.000 1.000 CA 1.778 15 residues pruned to eliminate duplicates Z: 182 109.268 2.378 0.920 0.602 0.934 0.674 CB 1.729 150 residues pruned to eliminate duplicates Z: 28 66.964 2.414 0.978 0.934 1.000 0.852 CB 1.882 28 residues pruned to eliminate duplicates Z: 28 57.032 2.421 0.748 0.937 1.000 0.889 CB 1.806 28 residues pruned to eliminate duplicates Z: 49 60.975 2.406 0.894 0.654 0.958 0.812 CB 1.747 49 residues pruned to eliminate duplicates Z: 16 47.003 2.385 1.036 0.911 0.933 0.667 CB 1.897 16 residues pruned to eliminate duplicates Z: 13 31.614 2.405 0.352 0.933 1.000 1.000 CB 1.959 13 residues pruned to eliminate duplicates Z: 20 34.804 2.447 0.917 0.447 0.947 0.421 CB 1.897 20 residues pruned to eliminate duplicates Z: 27 64.512 2.365 1.115 0.927 1.000 0.846 CB 1.772 27 residues pruned to eliminate duplicates Z: 15 31.970 2.307 0.391 0.947 1.000 1.000 C 1.841 15 residues pruned to eliminate duplicates Z: 10 24.886 2.320 0.464 0.895 1.000 1.000 CB 1.750 10 residues pruned to eliminate duplicates Z: 126 99.370 2.425 0.946 0.619 0.952 0.696 CB 1.768 126 residues pruned to eliminate duplicates Z: 16 34.006 2.360 0.504 0.890 1.000 0.867 CB 1.780 16 residues pruned to eliminate duplicates Z: 9 37.777 2.479 0.943 0.914 1.000 1.000 CA 1.961 9 residues pruned to eliminate duplicates Z: 26 78.228 2.562 1.116 0.958 1.000 0.920 CB 1.980 27 residues pruned to eliminate duplicates Z: 26 67.758 2.426 1.092 0.932 1.000 0.840 C 1.864 26 residues pruned to eliminate duplicates Z: 30 22.687 2.267 0.769 0.373 0.759 0.517 CB 1.587 3 residues pruned to eliminate duplicates Z: 27 67.685 2.427 1.040 0.950 1.000 0.923 CB 1.849 27 residues pruned to eliminate duplicates Z: 28 66.245 2.426 1.047 0.928 0.963 0.852 CB 1.867 28 residues pruned to eliminate duplicates Z: 28 62.257 2.386 0.909 0.935 1.000 0.926 CB 1.834 28 residues pruned to eliminate duplicates Z: 73 64.511 2.356 0.900 0.596 0.917 0.681 CB 1.691 54 residues pruned to eliminate duplicates Z: 16 41.284 2.343 0.905 0.863 1.000 0.600 CB 1.752 16 residues pruned to eliminate duplicates Z: 41 27.580 2.236 0.758 0.359 0.825 0.375 CB 1.566 41 residues pruned to eliminate duplicates Z: 28 76.493 2.418 1.213 0.950 1.000 0.852 C 1.898 28 residues pruned to eliminate duplicates Z: 17 36.885 2.260 0.699 0.899 1.000 0.812 CA 1.717 17 residues pruned to eliminate duplicates Z: 15 45.090 2.496 0.744 0.926 1.000 0.929 CB 1.942 15 residues pruned to eliminate duplicates Z: 104 102.566 2.460 0.967 0.677 0.981 0.738 CB 1.809 104 residues pruned to eliminate duplicates Z: 13 27.117 2.248 0.475 0.882 0.917 0.917 CA 1.864 13 residues pruned to eliminate duplicates Z: 21 28.073 2.371 0.745 0.433 0.900 0.450 CB 1.806 21 residues pruned to eliminate duplicates Z: 15 37.276 2.461 0.509 0.942 1.000 1.000 CB 1.861 15 residues pruned to eliminate duplicates Z: 10 28.586 2.383 0.648 0.766 1.000 0.889 CA 1.917 10 residues pruned to eliminate duplicates Z: 41 58.638 2.374 0.858 0.695 0.950 0.825 CB 1.851 41 residues pruned to eliminate duplicates Z: 25 70.495 2.515 1.112 0.943 1.000 0.875 C 1.878 25 residues pruned to eliminate duplicates Z: 27 22.612 1.815 0.866 0.652 0.962 0.577 CB 1.182 9 residues pruned to eliminate duplicates Z: 26 68.361 2.525 1.001 0.947 0.960 0.840 CB 1.948 26 residues pruned to eliminate duplicates Z: 51 57.156 2.360 0.847 0.595 1.000 0.800 CB 1.693 51 residues pruned to eliminate duplicates Z: 16 29.822 2.202 0.550 0.907 0.933 0.867 C 1.717 15 residues pruned to eliminate duplicates Z: 26 71.119 2.414 1.266 0.941 1.000 0.960 C 1.804 26 residues pruned to eliminate duplicates Z: 15 43.389 2.445 0.768 0.926 1.000 0.786 CB 1.881 15 residues pruned to eliminate duplicates Z: 16 36.265 2.344 0.713 0.859 1.000 0.800 CB 1.715 16 residues pruned to eliminate duplicates Z: 78 68.286 2.383 0.922 0.578 0.909 0.636 CB 1.733 100 residues pruned to eliminate duplicates Z: 14 37.923 2.422 0.533 0.942 1.000 1.000 CB 1.964 14 residues pruned to eliminate duplicates Z: 16 36.721 2.223 0.667 0.914 1.000 0.800 C 1.809 17 residues pruned to eliminate duplicates Z: 115 92.079 2.384 0.913 0.630 0.947 0.711 CB 1.767 115 residues pruned to eliminate duplicates Z: 28 60.721 2.407 0.895 0.929 1.000 0.741 CB 1.794 28 residues pruned to eliminate duplicates Z: 26 72.712 2.436 1.184 0.949 1.000 1.000 C 1.886 26 residues pruned to eliminate duplicates Z: 16 32.889 2.394 0.480 0.893 1.000 1.000 CB 1.721 16 residues pruned to eliminate duplicates Z: 8 14.105 2.021 0.660 0.860 0.857 0.429 CA 1.363 Z: 16 37.841 2.387 0.608 0.892 1.000 0.867 CB 1.829 16 residues pruned to eliminate duplicates Z: 26 69.753 2.445 1.072 0.943 1.000 0.960 C 1.908 26 residues pruned to eliminate duplicates Z: 50 55.027 2.369 0.758 0.621 0.980 0.776 CB 1.718 50 residues pruned to eliminate duplicates Z: 32 66.475 2.431 1.241 0.732 0.968 0.806 CB 1.839 23 residues pruned to eliminate duplicates Z: 30 64.884 2.333 1.043 0.932 0.966 0.862 CB 1.829 30 residues pruned to eliminate duplicates Z: 17 25.049 2.107 0.358 0.847 0.938 0.812 C 1.733 17 residues pruned to eliminate duplicates Z: 58 66.441 2.321 1.164 0.678 0.930 0.684 CB 1.599 58 residues pruned to eliminate duplicates Z: 80 67.651 2.360 0.942 0.585 0.911 0.646 CB 1.681 80 residues pruned to eliminate duplicates Z: 16 33.025 2.304 0.669 0.867 1.000 0.733 CB 1.622 16 residues pruned to eliminate duplicates Z: 7 17.505 2.123 0.893 0.866 0.833 0.833 C 1.562 7 residues pruned to eliminate duplicates Z: 25 66.851 2.527 1.020 0.915 1.000 0.792 C 1.889 25 residues pruned to eliminate duplicates Z: 16 34.256 2.403 0.512 0.864 1.000 0.800 CB 1.786 16 residues pruned to eliminate duplicates Z: 92 80.675 2.466 0.943 0.577 0.901 0.692 CB 1.819 92 residues pruned to eliminate duplicates Z: 79 60.029 2.338 0.738 0.574 0.897 0.641 CB 1.735 79 residues pruned to eliminate duplicates Z: 58 54.141 2.359 0.615 0.614 0.965 0.754 CB 1.752 58 residues pruned to eliminate duplicates Z: 28 69.000 2.420 1.042 0.934 1.000 1.000 CB 1.875 28 residues pruned to eliminate duplicates Z: 47 56.515 2.262 0.864 0.692 0.935 0.761 CB 1.774 47 residues pruned to eliminate duplicates Z: 29 20.158 2.086 0.639 0.359 0.857 0.429 CB 1.512 29 residues pruned to eliminate duplicates Z: 15 40.130 2.347 0.783 0.909 1.000 0.929 C 1.818 15 residues pruned to eliminate duplicates Z: 112 82.081 2.332 0.982 0.576 0.919 0.667 CB 1.704 112 residues pruned to eliminate duplicates Z: 17 42.926 2.267 0.947 0.896 1.000 0.750 CA 1.742 17 residues pruned to eliminate duplicates Z: 7 21.385 2.125 0.953 0.887 1.000 0.667 C 1.516 7 residues pruned to eliminate duplicates Z: 28 69.128 2.398 1.106 0.929 1.000 0.852 CB 1.843 28 residues pruned to eliminate duplicates Z: 25 63.806 2.488 0.957 0.935 0.958 0.875 C 1.945 25 residues pruned to eliminate duplicates Z: 27 63.113 2.369 1.020 0.911 1.000 0.923 CB 1.833 27 residues pruned to eliminate duplicates Z: 131 91.747 2.391 0.922 0.597 0.915 0.654 CB 1.744 131 residues pruned to eliminate duplicates Z: 15 28.177 2.124 1.171 0.637 1.000 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 16 32.535 2.206 0.619 0.948 1.000 1.000 C 1.624 16 residues pruned to eliminate duplicates Z: 52 52.380 2.316 0.794 0.591 0.961 0.765 CB 1.684 52 residues pruned to eliminate duplicates Z: 25 78.525 2.507 1.407 0.947 0.958 0.833 C 1.916 25 residues pruned to eliminate duplicates Z: 25 69.367 2.492 1.100 0.945 1.000 0.917 C 1.872 25 residues pruned to eliminate duplicates Z: 22 19.095 1.962 0.940 0.323 0.810 0.429 C 1.643 22 residues pruned to eliminate duplicates Z: 26 59.940 2.479 0.793 0.935 1.000 0.920 CB 1.879 26 residues pruned to eliminate duplicates Z: 7 16.623 2.174 0.671 0.812 1.000 0.667 CB 1.424 7 residues pruned to eliminate duplicates Z: 22 29.828 2.333 0.936 0.383 0.905 0.333 CB 1.804 22 residues pruned to eliminate duplicates Z: 9 37.963 2.455 0.973 0.914 1.000 1.000 CA 1.960 9 residues pruned to eliminate duplicates Z: 43 60.244 2.433 0.779 0.686 0.976 0.786 CB 1.855 43 residues pruned to eliminate duplicates Z: 45 65.714 2.453 1.102 0.682 0.909 0.636 CB 1.788 45 residues pruned to eliminate duplicates Z: 10 37.350 2.425 1.019 0.805 1.000 0.778 CA 1.948 10 residues pruned to eliminate duplicates Z: 69 61.943 2.379 0.873 0.579 0.882 0.632 CB 1.771 69 residues pruned to eliminate duplicates Z: 125 101.437 2.441 0.948 0.631 0.935 0.694 CB 1.810 125 residues pruned to eliminate duplicates Z: 16 41.902 2.365 0.928 0.844 1.000 0.733 CB 1.765 16 residues pruned to eliminate duplicates Z: 146 93.990 2.357 0.826 0.609 0.945 0.724 CB 1.731 146 residues pruned to eliminate duplicates Z: 37 22.980 1.768 0.771 0.664 0.944 0.722 CB 1.112 37 residues pruned to eliminate duplicates Z: 17 30.923 2.249 0.540 0.886 0.938 0.688 CB 1.718 17 residues pruned to eliminate duplicates Z: 124 100.613 2.442 0.945 0.622 0.943 0.683 CB 1.805 124 residues pruned to eliminate duplicates Z: 28 47.474 2.366 0.395 0.916 1.000 0.963 C 1.954 28 residues pruned to eliminate duplicates Z: 49 71.062 2.421 1.154 0.749 0.917 0.750 CB 1.717 49 residues pruned to eliminate duplicates Z: 13 37.197 2.415 0.553 0.934 1.000 0.917 CB 1.996 13 residues pruned to eliminate duplicates Z: 27 58.774 2.451 0.836 0.912 1.000 0.923 CB 1.813 27 residues pruned to eliminate duplicates Z: 25 67.078 2.486 1.056 0.951 1.000 0.833 C 1.847 25 residues pruned to eliminate duplicates Z: 105 100.873 2.439 0.932 0.675 0.981 0.760 CB 1.822 105 residues pruned to eliminate duplicates Z: 35 65.066 2.350 1.221 0.714 1.000 0.706 CB 1.761 30 residues pruned to eliminate duplicates Z: 73 81.506 2.392 1.090 0.643 0.972 0.639 CB 1.728 73 residues pruned to eliminate duplicates Z: 28 77.012 2.414 1.243 0.937 1.000 0.852 CB 1.906 28 residues pruned to eliminate duplicates Z: 11 26.519 2.124 1.555 0.510 0.900 0.700 CB 1.700 Z: 14 23.630 2.194 1.153 0.476 0.846 0.692 CA 1.680 14 residues pruned to eliminate duplicates Z: 16 47.391 2.429 0.875 0.892 1.000 0.800 CA 1.930 16 residues pruned to eliminate duplicates Z: 13 18.127 2.153 0.998 0.441 0.833 0.583 CB 1.551 13 residues pruned to eliminate duplicates Z: 29 25.801 2.196 0.825 0.463 0.857 0.536 CB 1.474 32 residues pruned to eliminate duplicates Z: 14 40.449 2.353 0.797 0.956 1.000 1.000 CB 1.822 14 residues pruned to eliminate duplicates Z: 46 78.400 2.452 1.169 0.750 0.978 0.756 CB 1.799 46 residues pruned to eliminate duplicates Z: 50 46.300 2.190 1.037 0.596 0.878 0.571 CB 1.542 48 residues pruned to eliminate duplicates Z: 40 54.573 2.269 1.016 0.658 0.974 0.667 CB 1.694 40 residues pruned to eliminate duplicates Z: 20 42.019 2.394 0.884 0.811 0.895 0.789 CB 1.823 20 residues pruned to eliminate duplicates Z: 8 12.580 1.980 0.571 0.748 0.857 0.857 CB 1.429 8 residues pruned to eliminate duplicates Z: 26 67.749 2.507 0.905 0.944 1.000 0.920 CB 1.965 26 residues pruned to eliminate duplicates Z: 27 69.249 2.456 1.023 0.950 1.000 0.846 CB 1.886 27 residues pruned to eliminate duplicates Z: 36 22.447 2.083 0.778 0.390 0.829 0.371 CB 1.389 36 residues pruned to eliminate duplicates Z: 10 25.930 2.287 1.107 0.692 0.889 0.778 CB 1.692 10 residues pruned to eliminate duplicates Z: 16 33.903 2.330 0.573 0.883 1.000 0.933 CB 1.727 16 residues pruned to eliminate duplicates Z: 12 18.479 2.034 1.230 0.533 0.818 0.818 CB 1.453 12 residues pruned to eliminate duplicates Z: 7 10.018 2.150 0.544 0.712 0.667 0.500 CB 1.525 7 residues pruned to eliminate duplicates Z: 17 30.059 2.303 0.409 0.852 1.000 0.875 CB 1.713 17 residues pruned to eliminate duplicates Z: 35 47.876 2.268 0.917 0.691 0.941 0.676 CB 1.686 35 residues pruned to eliminate duplicates Z: 32 17.480 1.645 0.622 0.727 0.968 0.806 CB 0.991 Z: 10 25.058 2.185 1.601 0.535 0.889 0.667 CB 1.598 10 residues pruned to eliminate duplicates Z: 36 73.309 2.425 1.276 0.710 1.000 0.686 CB 1.856 38 residues pruned to eliminate duplicates Z: 12 16.650 2.123 0.939 0.389 0.909 0.636 CB 1.508 12 residues pruned to eliminate duplicates Z: 79 67.396 2.388 0.796 0.598 0.962 0.769 CB 1.685 79 residues pruned to eliminate duplicates Z: 53 48.444 2.278 0.730 0.599 0.942 0.750 CB 1.645 53 residues pruned to eliminate duplicates Z: 50 53.721 2.331 0.773 0.650 0.959 0.755 CB 1.683 50 residues pruned to eliminate duplicates Z: 41 57.829 2.377 1.012 0.616 0.950 0.750 CB 1.804 41 residues pruned to eliminate duplicates Z: 10 21.144 2.300 1.114 0.467 0.889 0.556 CB 1.685 10 residues pruned to eliminate duplicates Z: 60 65.690 2.262 1.046 0.667 0.915 0.678 CB 1.729 60 residues pruned to eliminate duplicates Z: 59 78.728 2.460 1.164 0.678 0.914 0.672 CB 1.804 59 residues pruned to eliminate duplicates Z: 11 13.409 1.988 0.593 0.503 0.900 0.500 CB 1.483 11 residues pruned to eliminate duplicates Z: 19 20.309 2.230 0.487 0.497 0.833 0.667 CB 1.737 19 residues pruned to eliminate duplicates Z: 15 37.315 2.277 0.735 0.918 1.000 1.000 C 1.781 15 residues pruned to eliminate duplicates Z: 9 34.762 2.487 0.841 0.897 1.000 1.000 C 1.921 9 residues pruned to eliminate duplicates Z: 16 38.528 2.232 0.919 0.878 0.933 0.733 CB 1.806 16 residues pruned to eliminate duplicates Z: 67 68.153 2.388 0.888 0.620 0.924 0.636 CB 1.797 67 residues pruned to eliminate duplicates Z: 32 62.189 2.347 1.122 0.735 1.000 0.774 CB 1.817 32 residues pruned to eliminate duplicates Z: 11 18.107 2.143 1.403 0.493 0.800 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 36 57.846 2.397 0.797 0.725 0.971 0.857 CB 1.907 36 residues pruned to eliminate duplicates Z: 79 66.457 2.293 1.101 0.580 0.885 0.679 CB 1.635 111 residues pruned to eliminate duplicates Z: 8 16.539 2.092 0.749 0.672 1.000 0.429 CA 1.457 8 residues pruned to eliminate duplicates Z: 12 17.167 2.010 0.935 0.736 0.818 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 27 63.934 2.314 1.234 0.910 1.000 0.692 CB 1.719 27 residues pruned to eliminate duplicates Z: 75 71.714 2.365 0.963 0.634 0.932 0.743 CB 1.699 75 residues pruned to eliminate duplicates Z: 25 38.565 2.318 0.750 0.675 0.917 0.833 CB 1.802 25 residues pruned to eliminate duplicates Z: 37 56.871 2.316 1.010 0.682 1.000 0.639 CB 1.722 37 residues pruned to eliminate duplicates Z: 110 100.242 2.381 1.011 0.657 0.972 0.752 CB 1.783 110 residues pruned to eliminate duplicates Z: 26 62.923 2.480 0.878 0.928 1.000 0.800 CB 1.893 26 residues pruned to eliminate duplicates Z: 25 38.951 2.396 0.631 0.694 1.000 0.792 CB 1.704 25 residues pruned to eliminate duplicates Z: 66 66.016 2.350 1.029 0.602 0.908 0.646 CB 1.716 66 residues pruned to eliminate duplicates Z: 126 104.011 2.424 0.996 0.624 0.960 0.736 CB 1.782 126 residues pruned to eliminate duplicates Z: 28 72.163 2.403 1.131 0.929 1.000 0.963 CB 1.898 28 residues pruned to eliminate duplicates Z: 96 92.824 2.394 1.003 0.652 0.958 0.663 CB 1.800 37 residues pruned to eliminate duplicates Z: 58 70.499 2.420 1.072 0.639 0.912 0.667 CB 1.792 58 residues pruned to eliminate duplicates Z: 39 60.807 2.304 1.027 0.688 1.000 0.632 CB 1.777 39 residues pruned to eliminate duplicates Z: 11 16.447 2.162 0.649 0.452 0.900 0.500 C 1.704 11 residues pruned to eliminate duplicates Z: 12 13.561 2.031 1.054 0.470 0.727 0.545 CB 1.390 12 residues pruned to eliminate duplicates Z: 9 13.121 2.145 0.809 0.360 0.875 0.625 CB 1.587 9 residues pruned to eliminate duplicates Z: 16 44.808 2.403 0.842 0.905 1.000 0.733 CB 1.860 16 residues pruned to eliminate duplicates Z: 42 49.946 2.357 0.764 0.612 0.976 0.805 CB 1.730 42 residues pruned to eliminate duplicates Z: 25 68.389 2.517 1.118 0.944 0.958 0.875 C 1.892 25 residues pruned to eliminate duplicates Z: 124 97.687 2.448 0.917 0.614 0.927 0.715 CB 1.817 124 residues pruned to eliminate duplicates Z: 18 27.597 2.171 0.412 0.878 1.000 0.765 CB 1.585 18 residues pruned to eliminate duplicates Z: 16 26.893 2.325 0.236 0.911 1.000 0.933 CB 1.713 16 residues pruned to eliminate duplicates Z: 17 26.698 2.112 1.053 0.667 0.938 0.875 CB 1.408 17 residues pruned to eliminate duplicates Z: 84 69.957 2.325 0.779 0.611 0.964 0.687 CB 1.735 84 residues pruned to eliminate duplicates Z: 10 38.149 2.314 1.236 0.883 1.000 1.000 CA 1.777 10 residues pruned to eliminate duplicates Z: 12 16.934 2.151 0.699 0.391 0.909 0.455 CB 1.725 12 residues pruned to eliminate duplicates Z: 41 56.943 2.383 0.784 0.670 1.000 0.750 CB 1.810 41 residues pruned to eliminate duplicates Z: 7 9.011 2.002 0.610 0.617 0.667 0.500 C 1.533 7 residues pruned to eliminate duplicates Z: 27 24.447 2.160 0.739 0.413 0.923 0.538 CB 1.515 27 residues pruned to eliminate duplicates Z: 27 74.183 2.391 1.354 0.929 1.000 0.846 CB 1.810 27 residues pruned to eliminate duplicates Z: 125 103.972 2.438 0.975 0.635 0.952 0.685 CB 1.795 125 residues pruned to eliminate duplicates Z: 45 49.949 2.301 0.843 0.598 0.909 0.773 CB 1.779 45 residues pruned to eliminate duplicates Z: 48 68.510 2.433 0.852 0.675 0.979 0.809 CB 1.929 48 residues pruned to eliminate duplicates Z: 14 24.407 2.254 0.691 0.691 0.923 0.692 CB 1.615 14 residues pruned to eliminate duplicates Z: 15 38.413 2.335 0.747 0.924 1.000 0.857 C 1.768 15 residues pruned to eliminate duplicates Z: 17 48.721 2.240 1.077 0.930 1.000 0.562 CB 1.831 17 residues pruned to eliminate duplicates Z: 17 30.549 2.286 0.568 0.858 0.938 0.875 CB 1.674 17 residues pruned to eliminate duplicates Z: 17 43.699 2.275 0.995 0.892 1.000 0.688 CA 1.730 17 residues pruned to eliminate duplicates Z: 43 53.049 2.344 0.696 0.661 0.976 0.738 CB 1.817 43 residues pruned to eliminate duplicates Z: 54 57.608 2.262 1.189 0.638 0.925 0.604 CB 1.519 54 residues pruned to eliminate duplicates Z: 31 77.997 2.537 1.195 0.852 0.967 0.833 CB 1.956 31 residues pruned to eliminate duplicates Z: 79 75.787 2.420 1.041 0.597 0.910 0.667 CB 1.740 79 residues pruned to eliminate duplicates Z: 50 63.558 2.341 0.975 0.656 0.980 0.755 CB 1.735 50 residues pruned to eliminate duplicates Z: 26 64.245 2.499 0.813 0.936 1.000 0.840 CB 1.975 26 residues pruned to eliminate duplicates Z: 50 58.960 2.340 0.914 0.650 0.959 0.776 CB 1.704 50 residues pruned to eliminate duplicates Z: 124 101.380 2.444 0.955 0.613 0.943 0.707 CB 1.822 124 residues pruned to eliminate duplicates Z: 42 51.183 2.264 1.087 0.626 0.902 0.732 CB 1.665 42 residues pruned to eliminate duplicates Z: 16 44.057 2.268 1.007 0.946 1.000 0.933 CB 1.729 16 residues pruned to eliminate duplicates Z: 15 41.039 2.229 1.196 0.926 0.929 0.786 C 1.693 15 residues pruned to eliminate duplicates Z: 9 33.419 2.595 0.630 0.888 1.000 0.875 CA 2.013 9 residues pruned to eliminate duplicates Z: 16 39.799 2.414 0.617 0.917 1.000 1.000 CB 1.858 16 residues pruned to eliminate duplicates Z: 30 18.807 2.257 0.519 0.293 0.828 0.345 CB 1.553 30 residues pruned to eliminate duplicates Z: 66 69.867 2.391 0.997 0.626 0.923 0.692 CB 1.747 66 residues pruned to eliminate duplicates Z: 12 6.345 1.963 0.319 0.296 0.818 0.273 CB 1.135 12 residues pruned to eliminate duplicates Z: 51 56.535 2.351 0.876 0.581 0.980 0.580 CB 1.711 51 residues pruned to eliminate duplicates Z: 130 96.328 2.397 0.935 0.612 0.938 0.628 CB 1.753 130 residues pruned to eliminate duplicates Z: 22 15.983 2.142 0.851 0.335 0.810 0.429 CB 1.302 22 residues pruned to eliminate duplicates Z: 25 72.211 2.489 1.187 0.949 1.000 0.917 C 1.869 25 residues pruned to eliminate duplicates Z: 49 62.002 2.341 0.943 0.627 0.979 0.771 CB 1.783 49 residues pruned to eliminate duplicates Z: 8 14.948 2.132 0.498 0.808 0.857 0.714 CA 1.577 8 residues pruned to eliminate duplicates Z: 25 72.315 2.501 1.151 0.962 1.000 0.958 C 1.878 25 residues pruned to eliminate duplicates Z: 8 37.930 2.491 1.092 0.918 1.000 1.000 CB 1.940 8 residues pruned to eliminate duplicates Z: 27 18.752 2.086 0.615 0.362 0.846 0.462 CB 1.498 27 residues pruned to eliminate duplicates Z: 43 55.213 2.293 0.888 0.660 0.976 0.810 CB 1.739 43 residues pruned to eliminate duplicates Z: 73 64.377 2.341 0.990 0.583 0.875 0.569 CB 1.719 73 residues pruned to eliminate duplicates Z: 136 90.658 2.381 0.896 0.586 0.919 0.667 CB 1.732 136 residues pruned to eliminate duplicates Z: 39 46.129 2.282 0.787 0.663 0.947 0.737 CB 1.666 39 residues pruned to eliminate duplicates Z: 52 60.817 2.329 0.983 0.635 0.961 0.824 CB 1.691 52 residues pruned to eliminate duplicates Z: 72 51.455 2.295 0.781 0.570 0.873 0.704 CB 1.598 72 residues pruned to eliminate duplicates Z: 14 36.068 2.376 0.565 0.947 1.000 1.000 CB 1.860 14 residues pruned to eliminate duplicates Z: 25 62.293 2.462 0.872 0.933 1.000 0.875 CB 1.926 25 residues pruned to eliminate duplicates Z: 15 39.547 2.230 0.913 0.892 1.000 0.929 C 1.779 15 residues pruned to eliminate duplicates Z: 8 13.215 1.903 0.269 0.910 1.000 0.857 CA 1.467 8 residues pruned to eliminate duplicates Z: 28 62.126 2.380 0.907 0.931 1.000 0.815 CB 1.841 28 residues pruned to eliminate duplicates Z: 27 75.560 2.349 1.394 0.920 1.000 0.654 C 1.856 27 residues pruned to eliminate duplicates Z: 8 18.525 1.913 0.831 0.860 1.000 0.857 C 1.470 8 residues pruned to eliminate duplicates Z: 36 54.804 2.265 1.058 0.675 0.971 0.743 CB 1.741 36 residues pruned to eliminate duplicates Z: 94 83.917 2.419 1.003 0.600 0.946 0.667 CB 1.725 94 residues pruned to eliminate duplicates Z: 125 104.450 2.437 1.001 0.627 0.952 0.734 CB 1.793 125 residues pruned to eliminate duplicates Z: 47 68.262 2.394 0.888 0.683 1.000 0.761 CB 1.882 47 residues pruned to eliminate duplicates Z: 27 78.703 2.410 1.353 0.949 1.000 0.885 C 1.879 27 residues pruned to eliminate duplicates Z: 6 22.086 2.299 0.755 0.888 1.000 0.600 CA 1.763 6 residues pruned to eliminate duplicates Z: 28 12.937 1.547 0.426 0.704 0.963 0.630 CB 0.974 Z: 84 73.556 2.341 0.753 0.639 0.988 0.759 CB 1.749 84 residues pruned to eliminate duplicates Z: 15 30.758 2.283 0.349 0.939 1.000 1.000 CB 1.855 15 residues pruned to eliminate duplicates Z: 9 13.912 2.027 0.733 0.649 0.875 0.750 CB 1.393 9 residues pruned to eliminate duplicates Z: 27 64.768 2.345 1.159 0.927 1.000 0.885 C 1.758 27 residues pruned to eliminate duplicates Z: 27 39.690 2.611 0.886 0.493 0.808 0.538 CB 1.971 27 residues pruned to eliminate duplicates Z: 40 41.751 2.372 1.058 0.463 0.897 0.615 CB 1.585 40 residues pruned to eliminate duplicates Z: 65 83.857 2.474 1.105 0.662 0.938 0.734 CB 1.848 65 residues pruned to eliminate duplicates Z: 9 35.001 2.563 0.757 0.864 1.000 0.750 CA 2.015 9 residues pruned to eliminate duplicates Z: 40 82.290 2.518 1.176 0.806 0.974 0.821 CB 1.890 40 residues pruned to eliminate duplicates Z: 11 14.464 1.938 0.580 0.613 0.900 0.700 CB 1.492 11 residues pruned to eliminate duplicates Z: 22 26.146 2.309 0.846 0.459 0.810 0.524 CB 1.724 22 residues pruned to eliminate duplicates Z: 11 13.266 2.036 0.959 0.518 0.700 0.600 CB 1.476 11 residues pruned to eliminate duplicates Z: 25 20.301 1.888 0.878 0.516 0.917 0.667 CB 1.254 11 residues pruned to eliminate duplicates Z: 125 100.536 2.440 0.934 0.621 0.952 0.734 CB 1.793 125 residues pruned to eliminate duplicates Z: 11 9.368 1.950 0.710 0.296 0.800 0.200 CB 1.395 11 residues pruned to eliminate duplicates Z: 63 73.710 2.405 1.102 0.641 0.935 0.677 CB 1.735 63 residues pruned to eliminate duplicates Z: 37 67.307 2.364 1.197 0.710 1.000 0.750 CB 1.784 37 residues pruned to eliminate duplicates Z: 82 72.904 2.378 0.992 0.604 0.901 0.630 CB 1.717 82 residues pruned to eliminate duplicates Z: 27 22.258 2.083 0.831 0.360 0.885 0.462 CB 1.504 27 residues pruned to eliminate duplicates Z: 25 86.068 2.587 1.264 0.958 1.000 0.833 CB 2.056 25 residues pruned to eliminate duplicates Z: 7 15.632 2.217 0.324 0.891 1.000 0.667 CA 1.563 7 residues pruned to eliminate duplicates Z: 62 58.560 2.362 0.691 0.605 0.967 0.672 CB 1.756 62 residues pruned to eliminate duplicates Z: 41 65.895 2.411 1.002 0.698 0.975 0.875 CB 1.849 41 residues pruned to eliminate duplicates Z: 15 22.216 2.125 1.140 0.517 0.929 0.714 CB 1.383 15 residues pruned to eliminate duplicates Z: 16 31.082 2.226 0.312 0.933 1.000 0.933 CA 1.918 16 residues pruned to eliminate duplicates Z: 6 11.239 1.741 0.527 0.763 1.000 0.800 O 1.497 6 residues pruned to eliminate duplicates Z: 6 3.782 1.364 0.506 0.486 0.800 0.800 CA 1.044 Z: 14 11.307 1.964 0.987 0.362 0.846 0.615 CB 1.101 14 residues pruned to eliminate duplicates Z: 52 50.258 2.246 0.759 0.624 0.961 0.725 CB 1.650 52 residues pruned to eliminate duplicates Z: 26 24.567 2.195 0.708 0.387 0.920 0.560 CB 1.606 26 residues pruned to eliminate duplicates Z: 25 74.394 2.516 1.273 0.945 1.000 0.917 C 1.837 25 residues pruned to eliminate duplicates Z: 48 65.390 2.457 0.813 0.665 0.979 0.787 CB 1.879 48 residues pruned to eliminate duplicates Z: 31 19.909 2.081 0.589 0.332 0.900 0.467 CB 1.467 31 residues pruned to eliminate duplicates Z: 16 36.083 2.323 0.648 0.873 1.000 0.867 CA 1.772 16 residues pruned to eliminate duplicates Z: 16 34.443 2.248 0.742 0.849 0.933 0.867 CA 1.804 16 residues pruned to eliminate duplicates Z: 15 7.591 1.551 0.308 0.684 0.929 0.714 CB 0.910 18 residues pruned to eliminate duplicates Z: 53 68.626 2.415 1.044 0.643 0.923 0.635 CB 1.827 53 residues pruned to eliminate duplicates Z: 7 15.268 2.167 0.685 0.657 1.000 0.500 CB 1.475 7 residues pruned to eliminate duplicates Z: 19 18.655 1.972 0.811 0.526 0.889 0.667 CB 1.351 50 residues pruned to eliminate duplicates Z: 9 10.071 1.970 0.655 0.502 0.750 0.500 CB 1.454 9 residues pruned to eliminate duplicates Z: 37 48.160 2.339 0.839 0.642 0.944 0.778 CB 1.730 37 residues pruned to eliminate duplicates Z: 27 64.780 2.395 1.092 0.907 1.000 0.808 CB 1.803 27 residues pruned to eliminate duplicates Z: 17 21.959 2.212 0.187 0.864 0.938 0.938 CB 1.634 17 residues pruned to eliminate duplicates Z: 26 20.191 2.168 0.570 0.403 0.920 0.680 CB 1.428 26 residues pruned to eliminate duplicates Z: 40 50.922 2.418 0.760 0.644 0.949 0.821 CB 1.765 40 residues pruned to eliminate duplicates Z: 38 47.144 2.280 0.820 0.674 0.973 0.703 CB 1.635 38 residues pruned to eliminate duplicates Z: 6 4.086 1.563 0.160 0.761 0.600 0.200 C 1.333 6 residues pruned to eliminate duplicates Z: 9 13.038 1.914 1.174 0.521 1.000 0.500 CB 1.085 9 residues pruned to eliminate duplicates Z: 26 73.658 2.378 1.334 0.939 1.000 0.880 CB 1.844 26 residues pruned to eliminate duplicates Z: 35 24.875 2.192 0.777 0.424 0.794 0.559 CB 1.493 35 residues pruned to eliminate duplicates Z: 7 5.890 1.660 0.923 0.484 0.833 0.667 CB 0.918 7 residues pruned to eliminate duplicates Z: 56 66.711 2.413 1.043 0.636 0.891 0.691 CB 1.802 56 residues pruned to eliminate duplicates Z: 32 22.433 2.159 0.646 0.348 0.839 0.452 CB 1.593 32 residues pruned to eliminate duplicates Z: 28 66.720 2.415 1.017 0.939 0.963 0.926 CB 1.902 28 residues pruned to eliminate duplicates Z: 16 34.632 2.300 0.618 0.946 1.000 0.933 CB 1.661 16 residues pruned to eliminate duplicates Z: 37 21.655 1.716 0.626 0.686 1.000 0.639 CB 1.090 37 residues pruned to eliminate duplicates Z: 20 39.670 2.373 0.977 0.570 1.000 0.737 CB 1.813 20 residues pruned to eliminate duplicates Z: 12 10.806 1.929 0.465 0.448 0.818 0.364 CB 1.487 12 residues pruned to eliminate duplicates Z: 33 22.316 2.089 0.600 0.361 0.875 0.312 CB 1.565 33 residues pruned to eliminate duplicates Z: 31 60.522 2.196 1.218 0.896 0.967 0.733 C 1.681 31 residues pruned to eliminate duplicates Z: 7 17.068 2.096 0.702 0.803 1.000 0.667 CA 1.499 7 residues pruned to eliminate duplicates Z: 27 14.076 1.792 0.519 0.389 0.923 0.692 CB 1.236 27 residues pruned to eliminate duplicates Z: 18 14.721 2.187 0.355 0.464 0.765 0.471 C 1.634 18 residues pruned to eliminate duplicates Z: 17 29.610 2.329 0.267 0.869 1.000 0.812 CA 1.834 17 residues pruned to eliminate duplicates Z: 124 98.746 2.428 0.934 0.644 0.943 0.724 CB 1.757 124 residues pruned to eliminate duplicates Z: 130 100.542 2.423 0.929 0.607 0.961 0.690 CB 1.780 130 residues pruned to eliminate duplicates Z: 30 43.190 2.349 0.608 0.649 1.000 0.759 CB 1.848 30 residues pruned to eliminate duplicates Z: 51 69.404 2.331 1.184 0.735 0.940 0.740 CB 1.661 51 residues pruned to eliminate duplicates Z: 28 61.551 2.414 0.889 0.921 0.963 0.815 CB 1.899 28 residues pruned to eliminate duplicates Z: 45 20.992 2.145 0.632 0.336 0.750 0.500 CB 1.442 35 residues pruned to eliminate duplicates Z: 79 71.964 2.325 1.014 0.610 0.949 0.744 CB 1.652 79 residues pruned to eliminate duplicates Z: 43 69.796 2.469 1.068 0.749 0.929 0.762 CB 1.818 43 residues pruned to eliminate duplicates Z: 32 59.979 2.276 1.126 0.736 1.000 0.806 CB 1.801 32 residues pruned to eliminate duplicates Z: 26 14.332 1.603 0.506 0.758 1.000 0.800 CB 0.944 Z: 7 6.251 1.631 0.528 0.416 1.000 0.500 CB 1.118 7 residues pruned to eliminate duplicates Z: 113 87.541 2.392 1.035 0.554 0.955 0.670 CB 1.687 113 residues pruned to eliminate duplicates Z: 42 52.620 2.366 0.704 0.677 0.951 0.805 CB 1.821 42 residues pruned to eliminate duplicates Z: 12 17.115 2.310 0.359 0.572 0.909 0.727 C 1.688 12 residues pruned to eliminate duplicates Z: 56 45.171 2.313 0.831 0.430 0.909 0.527 CB 1.701 57 residues pruned to eliminate duplicates Z: 76 59.409 2.282 0.913 0.571 0.893 0.627 CB 1.642 76 residues pruned to eliminate duplicates Z: 38 27.817 2.104 0.817 0.409 0.892 0.486 CB 1.476 38 residues pruned to eliminate duplicates Z: 31 44.404 2.325 0.769 0.664 0.967 0.800 CB 1.752 31 residues pruned to eliminate duplicates Z: 8 4.983 1.753 0.316 0.523 0.857 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 37 51.925 2.306 0.840 0.690 0.972 0.806 CB 1.763 37 residues pruned to eliminate duplicates Z: 9 8.381 1.879 0.604 0.557 0.750 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 106 96.507 2.410 0.951 0.657 0.971 0.771 CB 1.783 106 residues pruned to eliminate duplicates Z: 26 24.812 2.106 0.923 0.500 0.960 0.680 CB 1.277 26 residues pruned to eliminate duplicates Z: 11 6.061 1.438 0.837 0.403 0.900 0.400 C 0.893 11 residues pruned to eliminate duplicates Z: 37 60.804 2.335 1.119 0.688 0.972 0.667 CB 1.774 37 residues pruned to eliminate duplicates Z: 6 2.275 1.734 0.111 0.476 0.400 0.400 C 1.352 6 residues pruned to eliminate duplicates Z: 44 41.829 2.370 0.835 0.492 0.884 0.512 CB 1.673 44 residues pruned to eliminate duplicates Z: 21 28.265 2.310 1.051 0.478 0.850 0.550 CB 1.605 21 residues pruned to eliminate duplicates Z: 13 13.046 1.953 0.738 0.400 1.000 0.833 CB 1.232 13 residues pruned to eliminate duplicates Z: 91 78.301 2.368 0.931 0.617 0.922 0.689 CB 1.752 91 residues pruned to eliminate duplicates Z: 31 24.172 2.217 0.640 0.441 0.833 0.500 CB 1.547 31 residues pruned to eliminate duplicates Z: 51 56.466 2.312 0.820 0.608 0.980 0.780 CB 1.748 51 residues pruned to eliminate duplicates Z: 30 57.179 2.366 1.134 0.707 1.000 0.759 CB 1.742 30 residues pruned to eliminate duplicates Z: 39 36.174 2.328 0.848 0.514 0.816 0.447 CB 1.648 39 residues pruned to eliminate duplicates Z: 10 7.478 2.220 0.360 0.355 0.667 0.222 CB 1.448 10 residues pruned to eliminate duplicates Z: 21 40.399 2.305 0.885 0.670 1.000 0.650 CB 1.777 21 residues pruned to eliminate duplicates Z: 116 89.340 2.375 1.027 0.597 0.913 0.687 CB 1.728 116 residues pruned to eliminate duplicates Z: 117 88.684 2.412 0.931 0.602 0.914 0.690 CB 1.756 117 residues pruned to eliminate duplicates Z: 28 19.800 1.932 0.715 0.539 0.852 0.519 CB 1.299 28 residues pruned to eliminate duplicates Z: 15 36.902 2.185 0.975 0.943 1.000 0.857 C 1.584 15 residues pruned to eliminate duplicates Z: 15 5.622 1.381 -0.054 0.919 1.000 1.000 CB 0.810 15 residues pruned to eliminate duplicates Z: 16 36.732 2.099 0.940 0.914 1.000 0.733 C 1.647 16 residues pruned to eliminate duplicates Z: 36 58.707 2.395 0.854 0.745 0.971 0.886 CB 1.847 36 residues pruned to eliminate duplicates Z: 29 35.882 2.099 0.715 0.620 1.000 0.786 CA 1.681 29 residues pruned to eliminate duplicates Z: 41 57.013 2.387 0.806 0.671 1.000 0.825 CB 1.787 41 residues pruned to eliminate duplicates Z: 22 29.375 2.219 0.587 0.687 0.905 0.810 C 1.695 22 residues pruned to eliminate duplicates Z: 32 22.293 2.197 0.630 0.384 0.903 0.355 CB 1.401 32 residues pruned to eliminate duplicates Z: 46 58.997 2.382 0.705 0.654 1.000 0.778 CB 1.876 46 residues pruned to eliminate duplicates Z: 11 14.781 2.030 0.742 0.422 1.000 0.600 CB 1.434 11 residues pruned to eliminate duplicates Z: 8 16.466 2.102 0.556 0.858 1.000 0.571 CA 1.402 8 residues pruned to eliminate duplicates Z: 6 7.427 1.685 0.595 0.345 1.000 0.800 N 1.462 6 residues pruned to eliminate duplicates Z: 69 77.075 2.370 1.056 0.603 0.985 0.750 CB 1.764 69 residues pruned to eliminate duplicates Z: 85 70.895 2.353 0.848 0.614 0.893 0.702 CB 1.789 71 residues pruned to eliminate duplicates Z: 20 15.820 1.964 0.682 0.506 0.842 0.737 CB 1.296 20 residues pruned to eliminate duplicates Z: 64 64.965 2.406 1.013 0.561 0.889 0.635 CB 1.792 64 residues pruned to eliminate duplicates Z: 34 55.773 2.327 1.156 0.687 0.939 0.727 CB 1.735 34 residues pruned to eliminate duplicates Z: 6 7.428 1.653 0.518 0.606 1.000 0.600 CA 1.197 6 residues pruned to eliminate duplicates Z: 37 40.659 2.335 0.874 0.580 0.861 0.667 CB 1.666 5 residues pruned to eliminate duplicates Z: 22 14.057 1.926 0.501 0.331 0.857 0.667 CB 1.490 22 residues pruned to eliminate duplicates Z: 23 31.971 2.549 0.823 0.368 0.909 0.455 CB 1.859 23 residues pruned to eliminate duplicates Z: 100 79.953 2.393 0.945 0.612 0.889 0.677 CB 1.746 94 residues pruned to eliminate duplicates Z: 25 77.923 2.629 1.320 0.840 0.958 0.833 CB 2.031 25 residues pruned to eliminate duplicates Z: 73 64.232 2.339 0.930 0.591 0.917 0.694 CB 1.676 74 residues pruned to eliminate duplicates Z: 105 99.731 2.443 0.923 0.674 0.981 0.779 CB 1.807 105 residues pruned to eliminate duplicates Z: 18 23.396 1.982 0.828 0.558 1.000 0.647 CB 1.480 18 residues pruned to eliminate duplicates Z: 14 8.692 1.435 0.479 0.940 1.000 0.846 CB 0.789 14 residues pruned to eliminate duplicates Z: 23 33.157 2.255 1.008 0.561 0.955 0.773 CB 1.543 23 residues pruned to eliminate duplicates Z: 10 18.648 2.384 0.587 0.423 1.000 0.667 CB 1.780 10 residues pruned to eliminate duplicates Z: 10 2.178 1.289 0.075 0.201 0.889 0.444 N 0.841 6 1.936 1.282 0.761 0.486 1.000 1.000 CA 0.389 ? Z: 20 36.417 2.313 0.825 0.657 1.000 0.684 CB 1.711 20 residues pruned to eliminate duplicates Z: 15 47.316 2.243 1.167 0.938 1.000 0.714 C 1.810 15 residues pruned to eliminate duplicates Z: 64 87.973 2.463 1.227 0.674 0.937 0.683 CB 1.836 64 residues pruned to eliminate duplicates Z: 16 19.904 2.278 0.092 0.863 0.933 0.933 CB 1.624 16 residues pruned to eliminate duplicates Z: 56 69.312 2.397 1.081 0.662 0.927 0.709 CB 1.740 56 residues pruned to eliminate duplicates Z: 25 40.582 2.374 0.749 0.667 1.000 0.875 CB 1.708 25 residues pruned to eliminate duplicates Z: 6 3.400 1.503 0.013 0.474 1.000 0.600 CA 1.025 Z: 38 55.510 2.332 0.948 0.663 0.973 0.676 CB 1.774 38 residues pruned to eliminate duplicates Z: 124 97.794 2.460 0.870 0.619 0.943 0.715 CB 1.816 124 residues pruned to eliminate duplicates Z: 6 2.964 1.375 0.290 0.672 1.000 0.800 N 0.638 Z: 16 15.181 1.912 0.781 0.394 1.000 0.600 CB 1.288 10 residues pruned to eliminate duplicates Z: 16 41.147 2.330 0.967 0.873 1.000 0.867 CB 1.689 16 residues pruned to eliminate duplicates Z: 10 20.905 1.967 1.514 0.640 1.000 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 68 64.173 2.319 0.920 0.653 0.940 0.716 CB 1.624 68 residues pruned to eliminate duplicates Z: 16 23.871 2.160 0.529 0.582 1.000 0.733 CB 1.725 16 residues pruned to eliminate duplicates Z: 66 86.251 2.482 1.187 0.659 0.908 0.708 CB 1.874 66 residues pruned to eliminate duplicates Z: 18 47.326 2.309 1.102 0.886 0.941 0.824 CB 1.813 18 residues pruned to eliminate duplicates Z: 7 6.668 1.801 0.835 0.290 1.000 0.667 CA 1.042 Z: 7 5.791 1.492 0.391 0.860 1.000 0.667 CB 0.838 Z: 35 24.253 2.129 0.766 0.398 0.853 0.412 CB 1.445 35 residues pruned to eliminate duplicates Z: 10 29.312 2.268 0.831 0.878 1.000 0.889 CA 1.707 10 residues pruned to eliminate duplicates Z: 73 76.459 2.416 0.887 0.622 1.000 0.736 CB 1.762 73 residues pruned to eliminate duplicates Z: 96 80.284 2.371 0.892 0.631 0.937 0.779 CB 1.733 96 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 4.218 1.677 0.646 0.256 0.833 0.333 CB 0.990 7 residues pruned to eliminate duplicates Z: 39 49.317 2.318 0.864 0.640 0.947 0.737 CB 1.715 39 residues pruned to eliminate duplicates Z: 37 57.247 2.386 0.913 0.665 1.000 0.667 CB 1.793 37 residues pruned to eliminate duplicates Z: 34 50.845 2.390 0.841 0.681 0.939 0.606 CB 1.812 34 residues pruned to eliminate duplicates Z: 34 58.635 2.363 1.093 0.693 0.970 0.758 CB 1.783 34 residues pruned to eliminate duplicates Z: 32 57.229 2.354 1.003 0.707 0.968 0.677 CB 1.867 32 residues pruned to eliminate duplicates Z: 38 55.882 2.356 0.999 0.665 0.946 0.676 CB 1.771 38 residues pruned to eliminate duplicates Z: 38 59.212 2.365 1.067 0.651 0.973 0.649 CB 1.778 38 residues pruned to eliminate duplicates Z: 33 64.597 2.402 1.139 0.700 1.000 0.594 CB 1.852 33 residues pruned to eliminate duplicates Z: 38 52.554 2.317 0.959 0.657 0.946 0.649 CB 1.739 38 residues pruned to eliminate duplicates Z: 34 60.727 2.407 1.154 0.669 0.970 0.636 CB 1.799 34 residues pruned to eliminate duplicates Z: 37 62.453 2.383 1.134 0.683 0.972 0.694 CB 1.781 37 residues pruned to eliminate duplicates Z: 35 59.985 2.328 1.058 0.735 1.000 0.765 CB 1.738 35 residues pruned to eliminate duplicates Z: 36 68.785 2.429 1.163 0.696 1.000 0.743 CB 1.851 36 residues pruned to eliminate duplicates Z: 39 56.859 2.309 1.117 0.681 0.947 0.684 CB 1.687 39 residues pruned to eliminate duplicates Z: 34 53.438 2.250 0.952 0.724 1.000 0.697 CB 1.731 34 residues pruned to eliminate duplicates Z: 34 54.548 2.234 1.075 0.690 0.970 0.697 CB 1.775 34 residues pruned to eliminate duplicates Z: 36 67.682 2.434 1.113 0.692 1.000 0.629 CB 1.866 36 residues pruned to eliminate duplicates Z: 75 87.491 2.356 1.119 0.708 0.919 0.770 CB 1.835 75 residues pruned to eliminate duplicates Z: 42 54.767 2.280 0.997 0.647 0.976 0.683 CB 1.678 42 residues pruned to eliminate duplicates Z: 31 50.809 2.208 1.017 0.727 0.967 0.700 CB 1.756 31 residues pruned to eliminate duplicates Z: 53 52.346 2.303 0.866 0.535 0.942 0.635 CB 1.732 32 residues pruned to eliminate duplicates Z: 8 19.448 2.187 0.886 0.702 1.000 0.286 CA 1.483 8 residues pruned to eliminate duplicates Z: 47 50.580 2.294 0.885 0.591 0.935 0.674 CB 1.691 47 residues pruned to eliminate duplicates Z: 68 60.283 2.383 0.874 0.567 0.881 0.612 CB 1.755 68 residues pruned to eliminate duplicates Z: 36 29.099 2.257 0.773 0.393 0.914 0.543 CB 1.506 36 residues pruned to eliminate duplicates Z: 79 60.086 2.364 0.808 0.532 0.910 0.564 CB 1.694 79 residues pruned to eliminate duplicates Z: 30 27.024 2.323 0.694 0.390 0.862 0.621 CB 1.663 30 residues pruned to eliminate duplicates Z: 32 22.008 2.130 0.663 0.324 0.903 0.387 CB 1.500 32 residues pruned to eliminate duplicates Z: 72 68.790 2.433 0.863 0.572 0.930 0.718 CB 1.808 72 residues pruned to eliminate duplicates Z: 34 23.972 2.217 0.617 0.353 0.879 0.424 CB 1.552 34 residues pruned to eliminate duplicates Z: 77 65.219 2.365 0.894 0.549 0.921 0.684 CB 1.729 77 residues pruned to eliminate duplicates Z: 73 63.267 2.410 0.845 0.563 0.903 0.694 CB 1.747 73 residues pruned to eliminate duplicates Z: 73 64.757 2.376 0.857 0.597 0.917 0.694 CB 1.721 73 residues pruned to eliminate duplicates Z: 74 64.630 2.387 0.845 0.566 0.904 0.658 CB 1.783 74 residues pruned to eliminate duplicates Z: 23 29.115 2.224 0.785 0.518 0.909 0.591 CB 1.690 23 residues pruned to eliminate duplicates Z: 27 25.638 2.145 0.874 0.376 0.846 0.462 CB 1.687 27 residues pruned to eliminate duplicates Z: 66 72.155 2.408 0.951 0.629 0.954 0.692 CB 1.769 66 residues pruned to eliminate duplicates Z: 74 70.490 2.407 1.010 0.575 0.904 0.644 CB 1.755 74 residues pruned to eliminate duplicates Z: 70 58.535 2.368 0.844 0.562 0.899 0.638 CB 1.691 70 residues pruned to eliminate duplicates Z: 75 66.377 2.317 0.953 0.620 0.905 0.716 CB 1.681 75 residues pruned to eliminate duplicates Z: 83 63.728 2.308 0.917 0.610 0.915 0.659 CB 1.567 83 residues pruned to eliminate duplicates Z: 26 24.193 2.148 0.764 0.412 0.880 0.440 CB 1.591 26 residues pruned to eliminate duplicates Z: 78 69.487 2.415 0.936 0.570 0.896 0.649 CB 1.767 78 residues pruned to eliminate duplicates Z: 36 33.241 2.295 0.840 0.435 0.914 0.543 CB 1.557 36 residues pruned to eliminate duplicates Z: 84 56.867 2.266 0.839 0.581 0.867 0.566 CB 1.598 84 residues pruned to eliminate duplicates Z: 25 27.731 2.253 0.777 0.427 0.917 0.500 CB 1.663 25 residues pruned to eliminate duplicates Z: 77 75.546 2.414 1.004 0.583 0.961 0.671 CB 1.722 77 residues pruned to eliminate duplicates Z: 64 67.379 2.427 0.914 0.618 0.937 0.635 CB 1.745 64 residues pruned to eliminate duplicates Z: 75 64.152 2.348 0.841 0.627 0.932 0.703 CB 1.642 75 residues pruned to eliminate duplicates Z: 72 69.002 2.383 0.962 0.618 0.930 0.676 CB 1.685 72 residues pruned to eliminate duplicates Z: 66 69.993 2.413 0.912 0.607 0.954 0.677 CB 1.783 66 residues pruned to eliminate duplicates Z: 45 61.538 2.473 0.934 0.674 0.909 0.705 CB 1.818 45 residues pruned to eliminate duplicates Z: 40 73.650 2.525 1.009 0.787 0.949 0.795 CB 1.904 40 residues pruned to eliminate duplicates Z: 67 64.017 2.371 0.803 0.611 0.955 0.636 CB 1.738 67 residues pruned to eliminate duplicates Z: 80 68.301 2.334 0.995 0.632 0.899 0.722 CB 1.623 80 residues pruned to eliminate duplicates Z: 45 73.837 2.473 1.141 0.698 0.955 0.750 CB 1.839 45 residues pruned to eliminate duplicates Z: 66 64.021 2.410 0.960 0.604 0.877 0.631 CB 1.736 66 residues pruned to eliminate duplicates Z: 66 68.390 2.400 0.900 0.622 0.938 0.738 CB 1.767 66 residues pruned to eliminate duplicates Z: 49 71.569 2.500 1.092 0.680 0.896 0.750 CB 1.869 49 residues pruned to eliminate duplicates Z: 49 79.715 2.494 1.128 0.697 0.938 0.771 CB 1.932 49 residues pruned to eliminate duplicates Z: 70 67.306 2.372 0.987 0.610 0.899 0.710 CB 1.724 70 residues pruned to eliminate duplicates Z: 68 67.438 2.356 0.952 0.626 0.910 0.672 CB 1.747 68 residues pruned to eliminate duplicates Z: 78 79.375 2.410 1.079 0.595 0.948 0.675 CB 1.739 78 residues pruned to eliminate duplicates Z: 52 71.507 2.467 1.172 0.636 0.902 0.725 CB 1.824 52 residues pruned to eliminate duplicates Z: 86 73.715 2.392 1.026 0.576 0.906 0.718 CB 1.693 86 residues pruned to eliminate duplicates Z: 49 70.636 2.483 1.074 0.663 0.896 0.729 CB 1.901 49 residues pruned to eliminate duplicates Z: 64 68.427 2.362 1.006 0.641 0.905 0.683 CB 1.762 64 residues pruned to eliminate duplicates Z: 49 69.160 2.478 1.087 0.661 0.896 0.729 CB 1.856 49 residues pruned to eliminate duplicates Z: 93 99.045 2.449 1.088 0.675 0.924 0.739 CB 1.861 93 residues pruned to eliminate duplicates Z: 65 62.444 2.345 0.940 0.634 0.891 0.703 CB 1.699 65 residues pruned to eliminate duplicates Z: 74 71.076 2.412 1.012 0.577 0.904 0.616 CB 1.760 74 residues pruned to eliminate duplicates Z: 50 73.323 2.440 1.172 0.688 0.898 0.755 CB 1.854 50 residues pruned to eliminate duplicates Z: 48 75.138 2.482 1.120 0.708 0.915 0.787 CB 1.884 48 residues pruned to eliminate duplicates Z: 74 73.113 2.389 1.091 0.586 0.890 0.658 CB 1.772 74 residues pruned to eliminate duplicates Z: 81 68.054 2.381 0.997 0.558 0.887 0.675 CB 1.705 81 residues pruned to eliminate duplicates Z: 67 72.316 2.407 1.006 0.617 0.955 0.636 CB 1.728 67 residues pruned to eliminate duplicates Z: 75 69.875 2.345 1.007 0.615 0.932 0.649 CB 1.659 75 residues pruned to eliminate duplicates Z: 15 20.517 2.178 0.804 0.543 0.857 0.643 CB 1.562 15 residues pruned to eliminate duplicates Z: 73 69.863 2.359 1.015 0.591 0.931 0.639 CB 1.706 73 residues pruned to eliminate duplicates Z: 66 75.361 2.400 1.027 0.612 0.969 0.723 CB 1.783 66 residues pruned to eliminate duplicates Z: 65 72.875 2.415 1.103 0.615 0.922 0.719 CB 1.745 65 residues pruned to eliminate duplicates Z: 67 65.730 2.364 0.856 0.617 0.924 0.667 CB 1.786 67 residues pruned to eliminate duplicates Z: 49 73.339 2.431 1.081 0.709 0.938 0.771 CB 1.847 49 residues pruned to eliminate duplicates Z: 70 71.118 2.363 1.128 0.561 0.928 0.580 CB 1.729 70 residues pruned to eliminate duplicates Z: 51 75.355 2.472 1.221 0.659 0.920 0.700 CB 1.821 51 residues pruned to eliminate duplicates Z: 71 81.424 2.438 1.053 0.617 0.957 0.729 CB 1.819 71 residues pruned to eliminate duplicates Z: 74 75.564 2.390 1.043 0.590 0.918 0.658 CB 1.810 74 residues pruned to eliminate duplicates Z: 66 73.298 2.402 1.002 0.623 0.923 0.646 CB 1.824 66 residues pruned to eliminate duplicates Z: 27 22.656 2.032 1.067 0.384 0.808 0.538 CA 1.481 53 residues pruned to eliminate duplicates Z: 37 22.462 1.777 0.747 0.651 0.972 0.667 CB 1.078 37 residues pruned to eliminate duplicates Z: 37 23.862 1.804 0.730 0.666 0.972 0.667 CB 1.125 37 residues pruned to eliminate duplicates Z: 33 23.397 1.789 0.729 0.679 0.969 0.719 CB 1.171 33 residues pruned to eliminate duplicates Z: 47 33.402 1.957 0.929 0.594 0.935 0.587 CB 1.276 47 residues pruned to eliminate duplicates Z: 27 35.707 2.221 1.138 0.567 0.923 0.500 CB 1.497 27 residues pruned to eliminate duplicates Z: 112 68.486 2.195 0.892 0.596 0.928 0.676 CB 1.539 112 residues pruned to eliminate duplicates Z: 52 33.231 1.906 0.938 0.587 0.941 0.686 CB 1.231 52 residues pruned to eliminate duplicates Z: 13 26.425 2.323 1.291 0.471 0.833 0.583 CB 1.772 13 residues pruned to eliminate duplicates Z: 11 30.117 2.306 1.177 0.578 1.000 0.600 CA 1.761 11 residues pruned to eliminate duplicates Z: 14 21.107 2.303 0.910 0.318 0.923 0.308 CB 1.762 14 residues pruned to eliminate duplicates Z: 43 31.933 2.165 0.826 0.386 0.905 0.429 CB 1.554 43 residues pruned to eliminate duplicates Z: 40 36.117 2.297 0.810 0.387 0.923 0.487 CB 1.698 40 residues pruned to eliminate duplicates Z: 12 18.214 2.299 0.930 0.414 0.818 0.636 C 1.655 12 residues pruned to eliminate duplicates Z: 40 25.757 1.992 0.812 0.524 0.872 0.538 CB 1.281 40 residues pruned to eliminate duplicates Z: 40 35.154 2.309 0.860 0.420 0.872 0.462 CB 1.633 40 residues pruned to eliminate duplicates Z: 8 6.927 2.089 0.845 0.301 0.714 0.286 CB 1.188 8 residues pruned to eliminate duplicates Z: 108 79.780 2.400 0.904 0.544 0.925 0.682 CB 1.747 108 residues pruned to eliminate duplicates Z: 41 32.467 2.223 0.893 0.330 0.875 0.425 CB 1.680 41 residues pruned to eliminate duplicates Z: 43 33.396 2.223 0.799 0.383 0.905 0.429 CB 1.612 43 residues pruned to eliminate duplicates Z: 41 33.156 2.262 0.886 0.377 0.900 0.425 CB 1.557 41 residues pruned to eliminate duplicates Z: 46 37.175 2.376 0.800 0.410 0.844 0.444 CB 1.686 46 residues pruned to eliminate duplicates Z: 27 24.394 2.218 0.838 0.350 0.808 0.423 CB 1.710 27 residues pruned to eliminate duplicates Z: 108 73.826 2.368 0.899 0.534 0.916 0.607 CB 1.676 108 residues pruned to eliminate duplicates Z: 117 71.021 2.287 0.861 0.511 0.914 0.552 CB 1.677 117 residues pruned to eliminate duplicates Z: 26 26.739 2.218 0.734 0.377 0.920 0.360 CB 1.723 26 residues pruned to eliminate duplicates Z: 187 108.117 2.371 0.857 0.591 0.952 0.699 CB 1.734 187 residues pruned to eliminate duplicates Z: 27 29.489 2.196 0.834 0.392 0.923 0.538 C 1.745 27 residues pruned to eliminate duplicates Z: 88 79.397 2.444 0.901 0.600 0.931 0.690 CB 1.789 88 residues pruned to eliminate duplicates Z: 21 28.786 2.400 0.821 0.435 0.850 0.450 CB 1.852 21 residues pruned to eliminate duplicates Z: 21 31.141 2.374 0.856 0.467 0.900 0.500 CB 1.816 21 residues pruned to eliminate duplicates Z: 30 46.202 2.535 0.902 0.480 0.931 0.483 CA 1.951 30 residues pruned to eliminate duplicates Z: 124 101.191 2.450 0.932 0.618 0.951 0.732 CB 1.812 124 residues pruned to eliminate duplicates Z: 33 27.535 2.256 0.770 0.377 0.781 0.281 CB 1.780 33 residues pruned to eliminate duplicates Z: 58 74.272 2.489 0.996 0.634 0.930 0.649 CB 1.877 58 residues pruned to eliminate duplicates Z: 14 12.915 2.336 0.680 0.205 0.769 0.308 C 1.684 14 residues pruned to eliminate duplicates Z: 39 33.116 2.311 0.841 0.399 0.868 0.395 CB 1.618 39 residues pruned to eliminate duplicates Z: 88 82.212 2.455 0.975 0.581 0.943 0.678 CB 1.785 88 residues pruned to eliminate duplicates Z: 27 23.131 2.153 0.778 0.387 0.846 0.385 CB 1.579 27 residues pruned to eliminate duplicates Z: 14 9.532 2.343 0.539 0.190 0.615 0.231 C 1.727 14 residues pruned to eliminate duplicates Z: 13 10.329 2.412 0.642 0.155 0.750 0.083 CB 1.534 13 residues pruned to eliminate duplicates Z: 129 98.013 2.437 0.895 0.619 0.938 0.734 CB 1.788 129 residues pruned to eliminate duplicates Z: 146 93.433 2.394 0.886 0.569 0.931 0.669 CB 1.727 146 residues pruned to eliminate duplicates Z: 8 6.077 1.966 0.894 0.136 0.714 0.286 C 1.358 8 residues pruned to eliminate duplicates Z: 123 99.510 2.484 0.872 0.630 0.934 0.705 CB 1.835 123 residues pruned to eliminate duplicates Z: 88 82.918 2.463 0.983 0.590 0.931 0.701 CB 1.794 88 residues pruned to eliminate duplicates Z: 72 77.953 2.422 1.023 0.599 0.915 0.662 CB 1.876 72 residues pruned to eliminate duplicates Z: 59 72.316 2.473 0.969 0.638 0.914 0.672 CB 1.874 59 residues pruned to eliminate duplicates Z: 124 98.669 2.461 0.901 0.615 0.943 0.707 CB 1.808 124 residues pruned to eliminate duplicates Z: 89 85.297 2.432 1.004 0.596 0.966 0.648 CB 1.762 89 residues pruned to eliminate duplicates Z: 126 101.246 2.438 0.899 0.622 0.976 0.696 CB 1.786 126 residues pruned to eliminate duplicates Z: 126 96.646 2.423 0.941 0.602 0.944 0.752 CB 1.767 126 residues pruned to eliminate duplicates Z: 125 106.392 2.452 0.985 0.631 0.968 0.734 CB 1.793 125 residues pruned to eliminate duplicates Z: 104 91.783 2.444 0.879 0.659 0.951 0.757 CB 1.786 104 residues pruned to eliminate duplicates Z: 108 96.122 2.408 0.890 0.671 0.972 0.757 CB 1.793 108 residues pruned to eliminate duplicates Z: 85 67.797 2.366 0.900 0.577 0.917 0.667 CB 1.667 85 residues pruned to eliminate duplicates Z: 125 103.512 2.435 0.949 0.631 0.968 0.702 CB 1.790 125 residues pruned to eliminate duplicates Z: 126 100.598 2.432 0.931 0.620 0.952 0.720 CB 1.797 126 residues pruned to eliminate duplicates Z: 145 97.369 2.389 0.918 0.594 0.944 0.688 CB 1.713 145 residues pruned to eliminate duplicates Z: 40 73.682 2.419 1.142 0.789 0.974 0.821 C 1.813 40 residues pruned to eliminate duplicates Z: 106 100.693 2.423 0.916 0.678 1.000 0.752 CB 1.796 106 residues pruned to eliminate duplicates Z: 124 101.257 2.469 0.934 0.628 0.935 0.675 CB 1.813 124 residues pruned to eliminate duplicates Z: 125 98.551 2.429 0.898 0.614 0.968 0.685 CB 1.781 125 residues pruned to eliminate duplicates Z: 34 62.384 2.425 1.087 0.790 0.909 0.788 C 1.830 34 residues pruned to eliminate duplicates Z: 124 101.946 2.453 0.912 0.623 0.959 0.707 CB 1.818 124 residues pruned to eliminate duplicates Z: 138 90.145 2.331 0.908 0.577 0.942 0.635 CB 1.708 138 residues pruned to eliminate duplicates Z: 123 101.954 2.468 0.931 0.627 0.943 0.746 CB 1.824 123 residues pruned to eliminate duplicates Z: 90 84.761 2.433 1.034 0.596 0.944 0.708 CB 1.755 90 residues pruned to eliminate duplicates Z: 127 100.813 2.430 0.964 0.600 0.952 0.690 CB 1.796 127 residues pruned to eliminate duplicates Z: 125 97.104 2.431 0.890 0.617 0.944 0.694 CB 1.801 125 residues pruned to eliminate duplicates Z: 125 103.137 2.422 1.020 0.630 0.935 0.677 CB 1.791 125 residues pruned to eliminate duplicates Z: 105 95.928 2.404 0.950 0.644 0.971 0.750 CB 1.806 105 residues pruned to eliminate duplicates Z: 75 74.561 2.336 1.025 0.629 0.932 0.730 CB 1.741 75 residues pruned to eliminate duplicates Z: 111 97.437 2.433 0.958 0.639 0.964 0.745 CB 1.776 111 residues pruned to eliminate duplicates Z: 148 98.685 2.387 0.976 0.576 0.925 0.667 CB 1.733 148 residues pruned to eliminate duplicates Z: 107 94.820 2.411 0.925 0.665 0.962 0.755 CB 1.771 107 residues pruned to eliminate duplicates Z: 109 94.728 2.424 0.909 0.641 0.954 0.676 CB 1.811 109 residues pruned to eliminate duplicates Z: 89 81.534 2.438 1.084 0.578 0.886 0.625 CB 1.790 89 residues pruned to eliminate duplicates Z: 129 102.323 2.420 1.000 0.613 0.938 0.672 CB 1.791 129 residues pruned to eliminate duplicates Z: 45 70.030 2.355 1.115 0.739 0.955 0.773 CB 1.793 45 residues pruned to eliminate duplicates Z: 45 67.132 2.415 1.152 0.685 0.909 0.727 CB 1.807 45 residues pruned to eliminate duplicates Z: 107 98.498 2.458 0.972 0.662 0.943 0.736 CB 1.800 107 residues pruned to eliminate duplicates Z: 124 104.839 2.466 0.970 0.635 0.951 0.715 CB 1.802 124 residues pruned to eliminate duplicates Z: 110 98.493 2.413 0.994 0.638 0.963 0.725 CB 1.789 110 residues pruned to eliminate duplicates Z: 85 74.410 2.399 1.043 0.587 0.893 0.595 CB 1.707 85 residues pruned to eliminate duplicates Z: 125 105.392 2.454 0.987 0.618 0.960 0.718 CB 1.809 125 residues pruned to eliminate duplicates Z: 136 97.311 2.385 0.948 0.605 0.941 0.630 CB 1.733 136 residues pruned to eliminate duplicates Z: 71 70.283 2.451 0.754 0.633 0.971 0.714 CB 1.777 71 residues pruned to eliminate duplicates Z: 124 100.450 2.419 0.967 0.626 0.943 0.732 CB 1.793 124 residues pruned to eliminate duplicates Z: 124 103.313 2.439 1.000 0.626 0.951 0.707 CB 1.782 124 residues pruned to eliminate duplicates Z: 80 76.609 2.424 1.096 0.595 0.886 0.658 CB 1.748 80 residues pruned to eliminate duplicates Z: 108 96.783 2.400 1.031 0.655 0.944 0.738 CB 1.762 108 residues pruned to eliminate duplicates Z: 166 118.307 2.442 0.905 0.632 0.970 0.745 CB 1.804 166 residues pruned to eliminate duplicates Z: 147 113.830 2.412 0.947 0.658 0.973 0.795 CB 1.781 147 residues pruned to eliminate duplicates Z: 123 106.884 2.462 1.028 0.615 0.959 0.721 CB 1.813 123 residues pruned to eliminate duplicates Z: 35 37.342 2.355 0.898 0.518 0.912 0.735 CB 1.544 35 residues pruned to eliminate duplicates Z: 84 77.813 2.412 0.966 0.556 0.952 0.639 CB 1.791 84 residues pruned to eliminate duplicates Z: 59 60.124 2.364 0.786 0.596 0.966 0.741 CB 1.768 59 residues pruned to eliminate duplicates Z: 39 43.369 2.360 1.020 0.503 0.921 0.658 CB 1.597 39 residues pruned to eliminate duplicates Z: 151 110.696 2.434 0.933 0.630 0.960 0.733 CB 1.771 151 residues pruned to eliminate duplicates Z: 125 99.720 2.440 0.945 0.619 0.944 0.629 CB 1.787 125 residues pruned to eliminate duplicates Z: 108 97.181 2.440 0.898 0.662 0.981 0.757 CB 1.779 108 residues pruned to eliminate duplicates Z: 124 104.003 2.455 1.017 0.632 0.927 0.740 CB 1.804 124 residues pruned to eliminate duplicates Z: 104 103.323 2.460 0.961 0.686 0.990 0.796 CB 1.797 104 residues pruned to eliminate duplicates Z: 71 66.006 2.412 0.769 0.591 0.971 0.757 CB 1.745 71 residues pruned to eliminate duplicates Z: 61 57.734 2.353 0.758 0.567 0.967 0.700 CB 1.746 61 residues pruned to eliminate duplicates Z: 129 104.154 2.425 1.009 0.610 0.953 0.703 CB 1.785 129 residues pruned to eliminate duplicates Z: 125 104.370 2.434 0.966 0.622 0.968 0.710 CB 1.805 125 residues pruned to eliminate duplicates Z: 63 57.242 2.351 0.723 0.550 0.952 0.774 CB 1.797 63 residues pruned to eliminate duplicates Z: 105 97.389 2.418 0.977 0.664 0.962 0.769 CB 1.785 105 residues pruned to eliminate duplicates Z: 131 100.044 2.401 0.968 0.607 0.954 0.700 CB 1.759 131 residues pruned to eliminate duplicates Z: 106 100.200 2.445 0.951 0.668 0.981 0.771 CB 1.790 106 residues pruned to eliminate duplicates Z: 124 107.347 2.457 0.984 0.628 0.967 0.715 CB 1.819 124 residues pruned to eliminate duplicates Z: 105 96.977 2.438 0.910 0.681 0.971 0.779 CB 1.781 105 residues pruned to eliminate duplicates Z: 60 68.928 2.357 0.920 0.718 0.932 0.746 CB 1.745 60 residues pruned to eliminate duplicates Z: 116 84.308 2.360 0.910 0.579 0.913 0.600 CB 1.771 116 residues pruned to eliminate duplicates Z: 57 57.586 2.388 0.690 0.620 0.964 0.732 CB 1.765 57 residues pruned to eliminate duplicates Z: 42 53.981 2.410 0.723 0.653 0.951 0.756 CB 1.851 42 residues pruned to eliminate duplicates Z: 45 51.234 2.327 0.699 0.664 0.955 0.727 CB 1.758 45 residues pruned to eliminate duplicates Z: 42 51.693 2.368 0.706 0.651 1.000 0.732 CB 1.736 42 residues pruned to eliminate duplicates Z: 41 59.147 2.409 0.806 0.675 0.975 0.775 CB 1.877 41 residues pruned to eliminate duplicates Z: 41 55.066 2.390 0.794 0.646 0.950 0.775 CB 1.865 41 residues pruned to eliminate duplicates Z: 42 49.915 2.327 0.754 0.639 0.927 0.707 CB 1.809 42 residues pruned to eliminate duplicates Z: 41 53.804 2.404 0.769 0.655 0.975 0.750 CB 1.776 41 residues pruned to eliminate duplicates Z: 40 60.557 2.456 0.844 0.679 0.974 0.769 CB 1.864 40 residues pruned to eliminate duplicates Z: 100 90.529 2.403 0.961 0.641 0.939 0.717 CB 1.801 100 residues pruned to eliminate duplicates Z: 42 58.731 2.367 0.866 0.668 0.976 0.683 CB 1.823 42 residues pruned to eliminate duplicates Z: 123 104.724 2.469 0.988 0.621 0.943 0.680 CB 1.828 123 residues pruned to eliminate duplicates Z: 42 51.999 2.308 0.838 0.620 0.976 0.707 CB 1.751 42 residues pruned to eliminate duplicates Z: 129 100.120 2.413 0.952 0.618 0.953 0.703 CB 1.763 129 residues pruned to eliminate duplicates Z: 147 101.341 2.381 0.960 0.590 0.952 0.692 CB 1.732 147 residues pruned to eliminate duplicates Z: 42 52.739 2.391 0.688 0.651 0.951 0.707 CB 1.864 42 residues pruned to eliminate duplicates Z: 40 56.873 2.430 0.744 0.687 0.974 0.769 CB 1.858 40 residues pruned to eliminate duplicates Z: 41 55.828 2.364 0.835 0.658 0.975 0.750 CB 1.802 41 residues pruned to eliminate duplicates Z: 41 55.375 2.399 0.782 0.673 0.975 0.725 CB 1.790 41 residues pruned to eliminate duplicates Z: 78 90.318 2.373 1.049 0.699 0.987 0.714 CB 1.788 78 residues pruned to eliminate duplicates Z: 116 85.551 2.381 0.928 0.594 0.904 0.626 CB 1.756 116 residues pruned to eliminate duplicates Z: 42 51.369 2.344 0.733 0.663 0.976 0.829 CB 1.740 42 residues pruned to eliminate duplicates Z: 42 51.856 2.332 0.780 0.645 0.976 0.780 CB 1.747 42 residues pruned to eliminate duplicates Z: 43 52.113 2.339 0.669 0.665 0.976 0.762 CB 1.811 43 residues pruned to eliminate duplicates Z: 37 54.340 2.354 0.813 0.701 0.972 0.722 CB 1.817 37 residues pruned to eliminate duplicates Z: 42 57.719 2.407 0.774 0.680 0.976 0.732 CB 1.834 42 residues pruned to eliminate duplicates Z: 41 60.686 2.408 0.860 0.687 0.975 0.850 CB 1.850 41 residues pruned to eliminate duplicates Z: 123 106.737 2.453 1.006 0.637 0.959 0.754 CB 1.801 123 residues pruned to eliminate duplicates Z: 43 51.294 2.330 0.729 0.664 0.976 0.738 CB 1.729 43 residues pruned to eliminate duplicates Z: 41 57.727 2.379 0.808 0.665 1.000 0.700 CB 1.822 41 residues pruned to eliminate duplicates Z: 124 103.033 2.455 0.963 0.627 0.943 0.707 CB 1.814 124 residues pruned to eliminate duplicates Z: 41 56.378 2.390 0.784 0.675 0.950 0.750 CB 1.873 41 residues pruned to eliminate duplicates Z: 51 65.142 2.380 0.812 0.668 0.980 0.780 CB 1.866 51 residues pruned to eliminate duplicates Z: 166 120.103 2.437 0.939 0.629 0.970 0.745 CB 1.807 166 residues pruned to eliminate duplicates Z: 46 47.579 2.298 0.729 0.618 0.911 0.756 CB 1.752 46 residues pruned to eliminate duplicates Z: 101 76.792 2.366 0.717 0.608 0.970 0.720 CB 1.758 101 residues pruned to eliminate duplicates Z: 18 21.945 2.234 0.723 0.398 1.000 0.588 CB 1.539 18 residues pruned to eliminate duplicates Z: 50 54.730 2.364 0.725 0.644 0.980 0.755 CB 1.712 57 residues pruned to eliminate duplicates Z: 26 33.981 2.282 0.720 0.581 1.000 0.760 CB 1.601 26 residues pruned to eliminate duplicates Z: 51 55.717 2.356 0.783 0.618 0.980 0.760 CB 1.711 51 residues pruned to eliminate duplicates Z: 53 46.918 2.262 0.783 0.579 0.942 0.654 CB 1.587 53 residues pruned to eliminate duplicates Z: 42 54.232 2.373 0.864 0.633 0.951 0.805 CB 1.776 42 residues pruned to eliminate duplicates Z: 41 53.167 2.381 0.834 0.626 0.975 0.675 CB 1.753 41 residues pruned to eliminate duplicates Z: 42 52.326 2.340 0.839 0.635 0.976 0.780 CB 1.715 42 residues pruned to eliminate duplicates Z: 40 56.887 2.437 0.889 0.649 0.949 0.744 CB 1.815 40 residues pruned to eliminate duplicates Z: 43 51.645 2.326 0.789 0.610 0.976 0.762 CB 1.767 43 residues pruned to eliminate duplicates Z: 104 83.062 2.371 0.965 0.588 0.913 0.650 CB 1.770 104 residues pruned to eliminate duplicates Z: 40 59.573 2.440 0.938 0.639 0.949 0.769 CB 1.866 40 residues pruned to eliminate duplicates Z: 43 52.864 2.348 0.873 0.635 0.952 0.714 CB 1.716 43 residues pruned to eliminate duplicates Z: 52 56.073 2.327 0.854 0.582 0.980 0.765 CB 1.715 52 residues pruned to eliminate duplicates Z: 50 60.505 2.371 0.943 0.630 0.959 0.776 CB 1.731 50 residues pruned to eliminate duplicates Z: 41 63.822 2.406 1.018 0.634 0.975 0.800 CB 1.879 41 residues pruned to eliminate duplicates Z: 42 57.568 2.351 1.008 0.623 0.976 0.683 CB 1.738 42 residues pruned to eliminate duplicates Z: 98 78.660 2.344 0.806 0.624 0.979 0.753 CB 1.713 98 residues pruned to eliminate duplicates Z: 44 53.324 2.293 0.953 0.589 0.953 0.674 CB 1.748 44 residues pruned to eliminate duplicates Z: 41 61.364 2.408 0.953 0.638 0.975 0.775 CB 1.859 41 residues pruned to eliminate duplicates Z: 42 53.180 2.335 0.882 0.607 0.976 0.780 CB 1.751 42 residues pruned to eliminate duplicates Z: 41 60.251 2.433 0.887 0.658 0.975 0.775 CB 1.838 41 residues pruned to eliminate duplicates Z: 41 56.153 2.423 0.866 0.629 0.925 0.725 CB 1.880 41 residues pruned to eliminate duplicates Z: 42 56.055 2.367 1.007 0.612 0.951 0.732 CB 1.742 42 residues pruned to eliminate duplicates Z: 41 50.428 2.400 0.802 0.628 0.975 0.775 CB 1.677 41 residues pruned to eliminate duplicates Z: 36 54.288 2.398 0.907 0.694 0.943 0.771 CB 1.783 36 residues pruned to eliminate duplicates Z: 38 55.789 2.390 0.936 0.646 0.946 0.703 CB 1.829 38 residues pruned to eliminate duplicates Z: 54 60.371 2.279 0.883 0.631 0.981 0.698 CB 1.742 54 residues pruned to eliminate duplicates Z: 51 57.905 2.368 0.931 0.607 0.940 0.740 CB 1.721 51 residues pruned to eliminate duplicates Z: 45 58.109 2.341 0.855 0.631 0.977 0.750 CB 1.825 45 residues pruned to eliminate duplicates Z: 43 68.096 2.443 0.938 0.665 1.000 0.738 CB 1.906 43 residues pruned to eliminate duplicates Z: 36 57.964 2.434 0.940 0.678 0.971 0.743 CB 1.813 36 residues pruned to eliminate duplicates Z: 50 58.234 2.342 0.833 0.653 0.980 0.694 CB 1.716 50 residues pruned to eliminate duplicates Z: 50 66.423 2.343 0.947 0.666 0.980 0.796 CB 1.821 50 residues pruned to eliminate duplicates Z: 52 58.379 2.319 0.880 0.642 0.961 0.784 CB 1.710 52 residues pruned to eliminate duplicates Z: 51 53.657 2.318 0.874 0.599 0.940 0.760 CB 1.691 51 residues pruned to eliminate duplicates Z: 51 59.331 2.315 0.882 0.635 0.960 0.800 CB 1.767 51 residues pruned to eliminate duplicates Z: 42 61.536 2.361 1.035 0.658 0.951 0.780 CB 1.817 42 residues pruned to eliminate duplicates Z: 40 69.087 2.431 1.037 0.719 0.974 0.821 CB 1.882 40 residues pruned to eliminate duplicates Z: 22 9.125 1.486 0.349 0.737 0.952 0.810 CB 0.843 Z: 6 2.651 1.501 -0.079 0.678 0.800 0.800 CB 0.911 6 residues pruned to eliminate duplicates Z: 22 8.798 1.475 0.267 0.694 1.000 0.667 CB 0.861 22 residues pruned to eliminate duplicates Z: 15 6.204 1.360 0.095 0.912 1.000 1.000 CB 0.789 15 residues pruned to eliminate duplicates Z: 7 3.727 1.506 0.493 0.443 0.833 0.500 CB 0.861 7 residues pruned to eliminate duplicates Z: 22 10.764 1.493 0.427 0.728 1.000 0.762 CB 0.898 22 residues pruned to eliminate duplicates Z: 14 8.249 1.366 0.371 0.926 1.000 0.846 CB 0.857 14 residues pruned to eliminate duplicates Z: 37 21.434 1.780 0.629 0.666 0.944 0.583 CB 1.119 59 residues pruned to eliminate duplicates Z: 22 9.412 1.478 0.424 0.711 0.952 0.762 CB 0.846 Z: 15 9.863 1.391 0.536 0.924 1.000 0.857 CB 0.866 16 residues pruned to eliminate duplicates Z: 14 8.328 1.437 0.382 0.925 1.000 0.846 CB 0.816 14 residues pruned to eliminate duplicates Z: 22 10.461 1.471 0.436 0.719 1.000 0.714 CB 0.887 22 residues pruned to eliminate duplicates Z: 14 8.198 1.418 0.484 0.926 1.000 0.769 CB 0.757 14 residues pruned to eliminate duplicates Z: 20 7.425 1.432 0.486 0.662 0.842 0.526 CB 0.818 20 residues pruned to eliminate duplicates Z: 23 10.604 1.442 0.569 0.661 1.000 0.636 CB 0.861 21 residues pruned to eliminate duplicates Z: 20 9.822 1.435 0.410 0.837 0.947 0.737 CB 0.879 17 residues pruned to eliminate duplicates Z: 20 10.837 1.478 0.422 0.816 1.000 0.737 CB 0.899 19 residues pruned to eliminate duplicates Z: 7 5.563 1.417 0.385 0.795 1.000 0.333 CB 0.893 6 residues pruned to eliminate duplicates Z: 6 5.412 1.756 0.467 0.483 1.000 0.600 CB 0.956 6 residues pruned to eliminate duplicates Z: 7 5.510 1.686 0.471 0.467 0.833 0.667 CB 1.126 6 residues pruned to eliminate duplicates Z: 6 7.187 1.556 0.382 0.873 1.000 0.800 CB 1.088 6 residues pruned to eliminate duplicates Z: 6 6.490 1.513 0.348 0.865 1.000 0.800 CB 1.042 6 residues pruned to eliminate duplicates Z: 6 6.185 1.554 0.242 0.870 1.000 0.800 CA 1.046 6 residues pruned to eliminate duplicates Z: 6 8.185 1.617 0.805 0.882 1.000 0.800 CB 0.907 6 residues pruned to eliminate duplicates 341 residues left after pruning, divided into chains as follows: A: 200 B: 109 C: 26 D: 6 CC for partial structure against native data = 44.02 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.463, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.529, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.630, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.637, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.646, Connect. = 0.820 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.822 for dens.mod. cycle 6 = 0.300, Contrast = 0.653, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2731 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 546 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 58.912 2.306 1.054 0.924 0.963 0.852 CB 1.745 B: 27 66.627 2.486 0.957 0.954 0.962 0.885 CB 1.920 C: 25 58.053 2.452 0.772 0.940 1.000 0.833 C 1.894 28 residues pruned to eliminate duplicates D: 25 60.278 2.484 0.729 0.944 1.000 0.917 C 1.984 25 residues pruned to eliminate duplicates E: 13 20.197 2.236 1.030 0.454 0.833 0.667 CB 1.615 F: 28 71.519 2.393 1.169 0.933 1.000 0.889 CB 1.851 27 residues pruned to eliminate duplicates G: 27 56.001 2.357 0.843 0.928 1.000 0.923 CB 1.771 27 residues pruned to eliminate duplicates H: 9 39.656 2.617 0.872 0.897 1.000 1.000 CA 2.048 I: 24 64.085 2.456 0.954 0.943 1.000 0.826 C 1.929 24 residues pruned to eliminate duplicates J: 11 32.283 2.365 1.389 0.622 0.900 0.600 C 1.790 13 residues pruned to eliminate duplicates K: 25 68.448 2.496 1.015 0.919 1.000 0.958 C 1.958 25 residues pruned to eliminate duplicates L: 26 60.070 2.500 0.678 0.945 1.000 1.000 CB 1.982 26 residues pruned to eliminate duplicates M: 43 35.168 2.251 0.863 0.411 0.881 0.476 CB 1.612 13 residues pruned to eliminate duplicates N: 144 103.764 2.405 0.936 0.597 0.958 0.713 CB 1.774 66 residues pruned to eliminate duplicates O: 26 63.092 2.517 0.758 0.929 1.000 1.000 CB 1.995 26 residues pruned to eliminate duplicates P: 6 9.608 1.914 0.540 0.659 0.800 0.800 CB 1.571 6 residues pruned to eliminate duplicates Q: 10 33.047 2.398 0.799 0.846 1.000 1.000 CA 1.897 10 residues pruned to eliminate duplicates R: 24 64.484 2.480 0.958 0.932 1.000 0.957 C 1.933 24 residues pruned to eliminate duplicates S: 27 69.354 2.469 1.068 0.950 0.962 0.846 CB 1.910 27 residues pruned to eliminate duplicates T: 9 27.700 2.529 0.349 0.897 1.000 1.000 CB 2.055 9 residues pruned to eliminate duplicates U: 26 63.825 2.406 1.029 0.928 1.000 0.920 C 1.831 26 residues pruned to eliminate duplicates V: 35 25.999 2.163 0.774 0.408 0.853 0.412 CB 1.501 35 residues pruned to eliminate duplicates W: 28 68.023 2.428 1.020 0.939 1.000 0.926 CB 1.855 28 residues pruned to eliminate duplicates X: 9 37.177 2.512 0.846 0.870 1.000 0.625 CA 2.068 9 residues pruned to eliminate duplicates Y: 77 93.352 2.366 1.146 0.720 0.961 0.750 CB 1.801 77 residues pruned to eliminate duplicates Z: 9 34.240 2.498 0.822 0.865 1.000 0.875 CA 1.949 9 residues pruned to eliminate duplicates Z: 22 64.437 2.503 1.002 0.932 1.000 1.000 CB 1.960 22 residues pruned to eliminate duplicates Z: 125 106.025 2.431 1.032 0.631 0.935 0.685 CB 1.822 125 residues pruned to eliminate duplicates Z: 125 106.375 2.433 1.005 0.631 0.960 0.702 CB 1.805 125 residues pruned to eliminate duplicates Z: 15 31.847 2.277 0.438 0.940 1.000 0.929 CA 1.805 Z: 125 101.073 2.426 0.975 0.622 0.935 0.669 CB 1.804 125 residues pruned to eliminate duplicates Z: 33 63.728 2.328 1.189 0.722 1.000 0.750 CB 1.808 15 residues pruned to eliminate duplicates Z: 27 67.679 2.323 1.256 0.931 1.000 0.846 CB 1.770 27 residues pruned to eliminate duplicates Z: 26 64.709 2.508 0.778 0.944 1.000 0.920 CB 2.010 26 residues pruned to eliminate duplicates Z: 9 31.199 2.503 0.647 0.887 1.000 1.000 CA 1.929 9 residues pruned to eliminate duplicates Z: 89 87.819 2.422 1.071 0.608 0.943 0.670 CB 1.786 89 residues pruned to eliminate duplicates Z: 50 55.851 2.377 0.760 0.649 0.959 0.735 CB 1.731 9 residues pruned to eliminate duplicates Z: 16 27.327 2.205 0.451 0.873 0.933 0.933 C 1.720 16 residues pruned to eliminate duplicates Z: 27 74.894 2.490 1.194 0.952 0.962 0.808 CB 1.926 27 residues pruned to eliminate duplicates Z: 125 102.870 2.434 0.904 0.629 0.968 0.734 CB 1.823 125 residues pruned to eliminate duplicates Z: 26 69.060 2.552 0.949 0.953 0.960 0.880 CB 1.991 27 residues pruned to eliminate duplicates Z: 26 79.036 2.525 1.169 0.928 1.000 0.760 C 2.020 26 residues pruned to eliminate duplicates Z: 15 50.322 2.457 0.946 0.922 1.000 0.786 CB 1.978 15 residues pruned to eliminate duplicates Z: 27 71.657 2.481 1.193 0.947 0.923 0.846 CB 1.934 27 residues pruned to eliminate duplicates Z: 15 32.338 2.279 0.461 0.945 1.000 1.000 C 1.796 15 residues pruned to eliminate duplicates Z: 104 100.016 2.415 0.958 0.685 0.971 0.777 CB 1.812 104 residues pruned to eliminate duplicates Z: 10 34.923 2.371 0.875 0.909 1.000 0.778 CA 1.859 10 residues pruned to eliminate duplicates Z: 17 27.909 2.112 0.407 0.868 1.000 0.750 CA 1.716 17 residues pruned to eliminate duplicates Z: 11 32.059 2.372 0.652 0.879 1.000 0.700 CA 1.876 11 residues pruned to eliminate duplicates Z: 138 101.577 2.399 0.953 0.602 0.956 0.686 CB 1.757 138 residues pruned to eliminate duplicates Z: 27 75.068 2.466 1.157 0.941 1.000 0.923 CB 1.921 27 residues pruned to eliminate duplicates Z: 27 71.856 2.468 1.049 0.943 1.000 0.808 CB 1.930 27 residues pruned to eliminate duplicates Z: 28 68.199 2.404 1.008 0.942 1.000 0.889 CB 1.885 28 residues pruned to eliminate duplicates Z: 16 37.703 2.354 0.574 0.905 1.000 0.867 CB 1.871 16 residues pruned to eliminate duplicates Z: 25 65.971 2.480 0.943 0.941 1.000 1.000 C 1.940 25 residues pruned to eliminate duplicates Z: 15 37.634 2.481 0.492 0.919 1.000 1.000 CB 1.914 15 residues pruned to eliminate duplicates Z: 15 49.093 2.455 0.924 0.934 1.000 1.000 CB 1.937 15 residues pruned to eliminate duplicates Z: 16 31.880 2.367 0.472 0.874 1.000 0.800 CB 1.720 16 residues pruned to eliminate duplicates Z: 16 34.752 2.353 0.552 0.874 1.000 0.800 CB 1.788 16 residues pruned to eliminate duplicates Z: 28 71.279 2.409 1.175 0.939 1.000 0.815 CB 1.819 28 residues pruned to eliminate duplicates Z: 38 64.956 2.388 1.147 0.694 0.973 0.703 CB 1.793 33 residues pruned to eliminate duplicates Z: 55 60.711 2.418 0.868 0.619 0.926 0.630 CB 1.766 35 residues pruned to eliminate duplicates Z: 36 40.448 2.226 0.754 0.598 0.971 0.743 CB 1.641 36 residues pruned to eliminate duplicates Z: 15 32.769 2.289 0.452 0.941 1.000 1.000 C 1.828 15 residues pruned to eliminate duplicates Z: 28 31.946 2.161 0.758 0.493 1.000 0.481 CB 1.630 28 residues pruned to eliminate duplicates Z: 10 24.447 2.458 1.188 0.543 0.778 0.778 CB 1.867 Z: 10 32.878 2.413 1.024 0.793 1.000 0.889 CA 1.735 10 residues pruned to eliminate duplicates Z: 27 66.958 2.469 0.955 0.932 1.000 0.769 CB 1.899 27 residues pruned to eliminate duplicates Z: 16 36.897 2.217 0.658 0.946 1.000 0.933 C 1.793 16 residues pruned to eliminate duplicates Z: 16 39.464 2.440 0.578 0.896 1.000 0.867 CB 1.896 16 residues pruned to eliminate duplicates Z: 6 17.412 2.263 0.390 0.879 1.000 0.800 CB 1.794 6 residues pruned to eliminate duplicates Z: 28 74.900 2.429 1.146 0.949 1.000 0.852 CB 1.908 28 residues pruned to eliminate duplicates Z: 118 92.787 2.359 1.092 0.601 0.915 0.615 CB 1.726 156 residues pruned to eliminate duplicates Z: 11 25.255 2.190 0.707 0.873 1.000 1.000 C 1.557 11 residues pruned to eliminate duplicates Z: 9 33.076 2.434 0.750 0.916 1.000 1.000 C 1.939 9 residues pruned to eliminate duplicates Z: 18 28.245 2.163 0.533 0.828 0.941 0.706 CB 1.653 18 residues pruned to eliminate duplicates Z: 11 22.272 2.423 1.078 0.497 0.800 0.600 CB 1.754 11 residues pruned to eliminate duplicates Z: 27 59.444 2.333 0.978 0.926 1.000 0.846 CB 1.771 27 residues pruned to eliminate duplicates Z: 12 26.716 2.326 1.210 0.548 0.818 0.636 C 1.827 12 residues pruned to eliminate duplicates Z: 12 24.765 2.447 1.194 0.474 0.818 0.636 CB 1.746 10 residues pruned to eliminate duplicates Z: 17 32.740 2.268 0.525 0.886 1.000 0.750 CB 1.707 17 residues pruned to eliminate duplicates Z: 27 63.123 2.481 0.829 0.950 1.000 0.962 CB 1.882 27 residues pruned to eliminate duplicates Z: 17 30.571 2.295 0.425 0.882 1.000 0.812 CB 1.690 17 residues pruned to eliminate duplicates Z: 25 73.289 2.468 1.257 0.953 1.000 0.875 C 1.849 25 residues pruned to eliminate duplicates Z: 7 16.623 2.222 0.497 0.853 1.000 0.667 CA 1.508 Z: 27 67.536 2.462 0.983 0.947 1.000 0.885 CB 1.876 27 residues pruned to eliminate duplicates Z: 27 67.655 2.322 1.242 0.936 1.000 0.808 C 1.775 27 residues pruned to eliminate duplicates Z: 7 13.843 2.209 0.532 0.811 0.833 0.500 CA 1.529 7 residues pruned to eliminate duplicates Z: 32 32.535 2.354 0.853 0.454 0.839 0.548 CB 1.674 12 residues pruned to eliminate duplicates Z: 25 66.685 2.489 1.016 0.945 1.000 0.958 C 1.877 25 residues pruned to eliminate duplicates Z: 26 68.099 2.421 1.093 0.945 1.000 0.840 CB 1.861 26 residues pruned to eliminate duplicates Z: 26 75.614 2.512 1.131 0.944 1.000 0.880 C 1.956 26 residues pruned to eliminate duplicates Z: 10 22.868 2.287 0.613 0.854 0.889 0.667 CB 1.716 10 residues pruned to eliminate duplicates Z: 18 31.424 2.155 0.609 0.820 1.000 0.706 C 1.666 18 residues pruned to eliminate duplicates Z: 18 25.765 2.269 0.760 0.531 0.882 0.647 CB 1.721 18 residues pruned to eliminate duplicates Z: 36 24.432 1.800 0.754 0.668 1.000 0.714 CB 1.120 37 residues pruned to eliminate duplicates Z: 101 90.139 2.422 1.046 0.581 0.930 0.690 CB 1.810 101 residues pruned to eliminate duplicates Z: 17 42.150 2.224 0.972 0.896 1.000 0.750 CB 1.722 17 residues pruned to eliminate duplicates Z: 16 30.643 2.237 0.449 0.924 0.933 0.933 C 1.836 Z: 28 19.959 1.738 0.760 0.699 0.963 0.667 CB 1.088 28 residues pruned to eliminate duplicates Z: 25 74.029 2.472 1.285 0.946 1.000 0.917 C 1.850 25 residues pruned to eliminate duplicates Z: 17 27.464 2.289 0.284 0.914 1.000 0.750 CB 1.652 17 residues pruned to eliminate duplicates Z: 110 88.188 2.361 0.878 0.647 0.954 0.771 CB 1.741 110 residues pruned to eliminate duplicates Z: 12 18.170 2.066 1.285 0.456 0.818 0.636 CA 1.484 12 residues pruned to eliminate duplicates Z: 14 15.127 2.078 0.457 0.428 1.000 0.538 CB 1.493 14 residues pruned to eliminate duplicates Z: 26 69.631 2.492 1.032 0.935 1.000 0.760 CB 1.916 26 residues pruned to eliminate duplicates Z: 25 68.421 2.460 1.150 0.951 1.000 0.792 C 1.820 25 residues pruned to eliminate duplicates Z: 15 44.778 2.497 0.692 0.931 1.000 1.000 CB 1.981 15 residues pruned to eliminate duplicates Z: 20 28.187 2.268 1.148 0.495 0.842 0.579 CB 1.584 20 residues pruned to eliminate duplicates Z: 41 56.153 2.398 0.764 0.686 0.950 0.725 CB 1.864 41 residues pruned to eliminate duplicates Z: 26 74.535 2.504 1.148 0.942 1.000 0.960 CB 1.923 26 residues pruned to eliminate duplicates Z: 27 72.542 2.489 1.047 0.956 1.000 0.885 CB 1.918 27 residues pruned to eliminate duplicates Z: 24 70.948 2.491 1.253 0.932 1.000 0.826 C 1.840 24 residues pruned to eliminate duplicates Z: 16 44.654 2.415 0.825 0.895 1.000 0.800 CB 1.876 16 residues pruned to eliminate duplicates Z: 145 101.922 2.389 0.957 0.598 0.931 0.729 CB 1.778 145 residues pruned to eliminate duplicates Z: 9 32.904 2.527 0.719 0.879 1.000 1.000 C 1.942 9 residues pruned to eliminate duplicates Z: 42 60.954 2.388 0.899 0.685 0.951 0.805 CB 1.863 43 residues pruned to eliminate duplicates Z: 48 77.216 2.481 1.089 0.712 0.957 0.830 CB 1.874 48 residues pruned to eliminate duplicates Z: 62 74.958 2.409 0.961 0.681 0.951 0.672 CB 1.810 62 residues pruned to eliminate duplicates Z: 27 63.641 2.346 1.216 0.911 0.962 0.808 C 1.769 27 residues pruned to eliminate duplicates Z: 16 43.794 2.321 0.919 0.854 1.000 0.600 CB 1.875 16 residues pruned to eliminate duplicates Z: 20 27.489 2.218 0.817 0.510 0.895 0.526 CB 1.732 7 residues pruned to eliminate duplicates Z: 88 69.008 2.356 0.979 0.550 0.885 0.667 CB 1.707 80 residues pruned to eliminate duplicates Z: 28 54.605 2.371 0.684 0.923 1.000 0.852 CB 1.849 28 residues pruned to eliminate duplicates Z: 53 58.003 2.297 0.758 0.629 0.981 0.731 CB 1.798 50 residues pruned to eliminate duplicates Z: 16 27.711 2.415 0.299 0.878 0.933 0.867 CB 1.774 16 residues pruned to eliminate duplicates Z: 25 61.235 2.488 0.821 0.932 1.000 0.917 C 1.926 25 residues pruned to eliminate duplicates Z: 19 17.388 2.172 0.680 0.423 0.889 0.556 CB 1.370 19 residues pruned to eliminate duplicates Z: 25 61.979 2.455 0.989 0.929 0.958 0.917 C 1.892 25 residues pruned to eliminate duplicates Z: 42 60.893 2.338 0.908 0.707 0.976 0.805 CB 1.811 41 residues pruned to eliminate duplicates Z: 7 22.238 2.105 0.970 0.866 1.000 0.667 C 1.603 7 residues pruned to eliminate duplicates Z: 28 60.539 2.407 0.854 0.923 1.000 0.852 CB 1.835 28 residues pruned to eliminate duplicates Z: 24 65.815 2.419 1.193 0.941 1.000 0.870 C 1.795 24 residues pruned to eliminate duplicates Z: 40 61.867 2.304 1.028 0.664 1.000 0.718 CB 1.821 36 residues pruned to eliminate duplicates Z: 10 27.035 2.222 0.651 0.886 1.000 1.000 C 1.773 10 residues pruned to eliminate duplicates Z: 27 68.508 2.475 0.999 0.947 0.962 0.846 CB 1.952 27 residues pruned to eliminate duplicates Z: 67 72.464 2.353 1.044 0.609 0.955 0.682 CB 1.752 67 residues pruned to eliminate duplicates Z: 66 60.024 2.378 0.816 0.585 0.908 0.615 CB 1.751 66 residues pruned to eliminate duplicates Z: 31 56.770 2.356 0.969 0.699 1.000 0.700 CB 1.863 34 residues pruned to eliminate duplicates Z: 10 32.453 2.355 0.856 0.870 1.000 0.778 CB 1.806 10 residues pruned to eliminate duplicates Z: 66 68.424 2.374 0.914 0.612 0.969 0.631 CB 1.732 66 residues pruned to eliminate duplicates Z: 26 21.082 1.830 0.735 0.669 0.960 0.680 CB 1.183 26 residues pruned to eliminate duplicates Z: 16 40.975 2.328 1.002 0.843 0.933 0.733 CB 1.812 16 residues pruned to eliminate duplicates Z: 65 80.847 2.448 1.132 0.641 0.922 0.734 CB 1.840 65 residues pruned to eliminate duplicates Z: 32 62.205 2.355 1.124 0.713 1.000 0.677 C 1.842 32 residues pruned to eliminate duplicates Z: 27 78.010 2.479 1.171 0.949 1.000 0.962 CB 1.962 27 residues pruned to eliminate duplicates Z: 50 74.665 2.489 1.167 0.674 0.898 0.714 CB 1.876 49 residues pruned to eliminate duplicates Z: 7 4.330 1.878 0.296 0.273 0.667 0.333 CA 1.410 7 residues pruned to eliminate duplicates Z: 16 35.182 2.353 0.553 0.881 1.000 0.933 CB 1.800 16 residues pruned to eliminate duplicates Z: 27 51.336 2.288 0.754 0.898 1.000 0.846 CB 1.794 27 residues pruned to eliminate duplicates Z: 6 18.010 2.547 0.099 0.881 1.000 1.000 CB 2.084 6 residues pruned to eliminate duplicates Z: 123 103.756 2.453 0.953 0.638 0.951 0.738 CB 1.812 123 residues pruned to eliminate duplicates Z: 14 32.407 2.276 0.585 0.926 1.000 0.769 C 1.748 14 residues pruned to eliminate duplicates Z: 25 66.066 2.453 1.002 0.920 1.000 0.875 C 1.934 25 residues pruned to eliminate duplicates Z: 27 66.088 2.453 1.004 0.941 0.962 0.885 CB 1.903 27 residues pruned to eliminate duplicates Z: 86 74.798 2.413 0.825 0.589 0.941 0.729 CB 1.797 86 residues pruned to eliminate duplicates Z: 35 21.389 2.256 0.568 0.380 0.824 0.441 CB 1.431 35 residues pruned to eliminate duplicates Z: 51 57.995 2.341 0.821 0.617 1.000 0.760 CB 1.724 51 residues pruned to eliminate duplicates Z: 39 22.172 2.208 0.867 0.372 0.737 0.526 CB 1.359 39 residues pruned to eliminate duplicates Z: 7 11.228 2.293 0.299 0.815 0.667 0.667 CB 1.756 7 residues pruned to eliminate duplicates Z: 8 13.548 2.159 0.616 0.699 0.857 0.286 CB 1.428 8 residues pruned to eliminate duplicates Z: 27 57.883 2.452 0.656 0.939 1.000 0.962 CB 1.942 27 residues pruned to eliminate duplicates Z: 12 13.726 1.767 1.035 0.581 0.727 0.455 CA 1.464 12 residues pruned to eliminate duplicates Z: 16 41.807 2.231 0.874 0.942 1.000 0.867 C 1.790 16 residues pruned to eliminate duplicates Z: 39 77.097 2.542 1.069 0.791 0.947 0.816 CB 1.944 39 residues pruned to eliminate duplicates Z: 125 100.121 2.435 0.919 0.618 0.944 0.734 CB 1.824 125 residues pruned to eliminate duplicates Z: 25 65.604 2.441 1.220 0.908 0.958 0.792 C 1.832 25 residues pruned to eliminate duplicates Z: 17 40.583 2.313 0.770 0.847 1.000 0.750 CA 1.840 17 residues pruned to eliminate duplicates Z: 68 72.369 2.328 1.102 0.679 0.940 0.672 CB 1.629 68 residues pruned to eliminate duplicates Z: 29 15.552 2.017 0.653 0.348 0.750 0.393 CB 1.386 29 residues pruned to eliminate duplicates Z: 15 33.399 2.202 0.581 0.882 1.000 0.857 CA 1.856 15 residues pruned to eliminate duplicates Z: 123 102.893 2.439 0.921 0.629 0.951 0.689 CB 1.852 123 residues pruned to eliminate duplicates Z: 28 66.959 2.388 1.032 0.925 1.000 0.852 CB 1.864 28 residues pruned to eliminate duplicates Z: 17 30.890 2.140 0.559 0.896 0.938 0.812 CA 1.769 17 residues pruned to eliminate duplicates Z: 42 56.004 2.365 0.746 0.664 0.951 0.756 CB 1.912 42 residues pruned to eliminate duplicates Z: 12 17.762 2.212 0.815 0.443 0.909 0.545 CB 1.555 12 residues pruned to eliminate duplicates Z: 15 36.590 2.269 0.704 0.949 1.000 0.786 C 1.746 15 residues pruned to eliminate duplicates Z: 10 10.123 2.141 0.596 0.439 0.667 0.556 CA 1.577 10 residues pruned to eliminate duplicates Z: 16 37.734 2.178 1.029 0.917 0.933 0.933 C 1.666 16 residues pruned to eliminate duplicates Z: 53 58.830 2.379 0.829 0.681 0.904 0.692 CB 1.756 53 residues pruned to eliminate duplicates Z: 26 58.861 2.478 0.717 0.952 1.000 0.960 CB 1.906 26 residues pruned to eliminate duplicates Z: 81 90.654 2.403 1.090 0.689 0.925 0.788 CB 1.834 104 residues pruned to eliminate duplicates Z: 47 62.908 2.417 1.070 0.605 0.935 0.630 CB 1.794 47 residues pruned to eliminate duplicates Z: 9 36.364 2.503 0.861 0.904 1.000 0.750 C 1.966 9 residues pruned to eliminate duplicates Z: 17 27.655 2.283 0.475 0.844 0.875 0.875 CB 1.747 17 residues pruned to eliminate duplicates Z: 25 72.388 2.472 1.251 0.938 1.000 0.792 C 1.847 25 residues pruned to eliminate duplicates Z: 105 99.640 2.426 0.974 0.670 0.962 0.760 CB 1.814 105 residues pruned to eliminate duplicates Z: 129 88.290 2.335 0.851 0.649 0.945 0.688 CB 1.662 129 residues pruned to eliminate duplicates Z: 48 53.748 2.260 1.046 0.588 0.894 0.574 CB 1.744 48 residues pruned to eliminate duplicates Z: 10 19.084 2.275 1.120 0.549 0.778 0.778 CB 1.618 10 residues pruned to eliminate duplicates Z: 7 19.142 2.100 0.747 0.883 1.000 0.667 C 1.540 7 residues pruned to eliminate duplicates Z: 26 73.331 2.499 1.073 0.950 1.000 0.840 C 1.953 26 residues pruned to eliminate duplicates Z: 36 65.444 2.379 1.016 0.745 1.000 0.829 CB 1.852 36 residues pruned to eliminate duplicates Z: 28 48.753 2.389 0.598 0.926 0.926 0.778 CB 1.860 28 residues pruned to eliminate duplicates Z: 26 58.710 2.404 0.880 0.905 0.960 0.840 C 1.926 26 residues pruned to eliminate duplicates Z: 15 44.828 2.294 0.972 0.936 1.000 0.929 C 1.845 15 residues pruned to eliminate duplicates Z: 8 12.907 2.062 0.322 0.788 0.857 0.429 CA 1.621 8 residues pruned to eliminate duplicates Z: 106 98.107 2.406 0.958 0.657 0.971 0.790 CB 1.809 106 residues pruned to eliminate duplicates Z: 125 100.438 2.426 0.901 0.621 0.968 0.702 CB 1.803 125 residues pruned to eliminate duplicates Z: 17 24.627 2.205 0.314 0.879 1.000 0.875 CB 1.541 17 residues pruned to eliminate duplicates Z: 15 31.879 2.453 0.313 0.902 1.000 0.929 CB 1.886 15 residues pruned to eliminate duplicates Z: 15 42.332 2.299 0.972 0.942 1.000 0.929 C 1.730 15 residues pruned to eliminate duplicates Z: 6 3.646 1.495 0.569 0.752 0.800 0.600 CB 0.694 Z: 42 55.219 2.362 0.777 0.665 0.951 0.780 CB 1.854 42 residues pruned to eliminate duplicates Z: 25 77.999 2.496 1.376 0.946 1.000 0.833 C 1.858 25 residues pruned to eliminate duplicates Z: 70 68.877 2.372 0.829 0.607 0.986 0.725 CB 1.753 70 residues pruned to eliminate duplicates Z: 27 19.144 1.760 0.793 0.660 0.923 0.692 CB 1.111 Z: 16 32.781 2.347 0.535 0.842 1.000 0.667 CB 1.751 16 residues pruned to eliminate duplicates Z: 51 61.983 2.341 0.895 0.644 1.000 0.820 CB 1.728 51 residues pruned to eliminate duplicates Z: 118 81.946 2.369 0.848 0.602 0.932 0.684 CB 1.686 118 residues pruned to eliminate duplicates Z: 61 72.685 2.373 1.092 0.646 0.917 0.600 CB 1.799 61 residues pruned to eliminate duplicates Z: 30 35.750 2.225 0.858 0.605 0.897 0.690 CB 1.621 30 residues pruned to eliminate duplicates Z: 128 94.554 2.398 0.893 0.613 0.929 0.661 CB 1.788 128 residues pruned to eliminate duplicates Z: 65 58.995 2.347 0.940 0.602 0.859 0.656 CB 1.710 65 residues pruned to eliminate duplicates Z: 125 98.703 2.413 0.946 0.604 0.952 0.750 CB 1.798 125 residues pruned to eliminate duplicates Z: 44 45.276 2.310 0.675 0.605 0.930 0.674 CB 1.735 44 residues pruned to eliminate duplicates Z: 7 13.820 2.176 0.218 0.844 1.000 0.500 CA 1.584 7 residues pruned to eliminate duplicates Z: 11 25.437 2.408 1.161 0.601 0.900 0.800 CB 1.560 11 residues pruned to eliminate duplicates Z: 40 54.986 2.287 0.984 0.652 0.949 0.641 CB 1.776 40 residues pruned to eliminate duplicates Z: 9 37.465 2.606 0.815 0.890 1.000 1.000 CA 2.014 9 residues pruned to eliminate duplicates Z: 27 36.667 2.272 0.663 0.652 0.923 0.769 CA 1.791 27 residues pruned to eliminate duplicates Z: 68 60.316 2.352 0.919 0.594 0.851 0.582 CB 1.754 95 residues pruned to eliminate duplicates Z: 19 36.123 2.287 0.838 0.753 0.944 0.722 CB 1.712 19 residues pruned to eliminate duplicates Z: 38 49.846 2.380 0.716 0.676 0.946 0.676 CB 1.804 38 residues pruned to eliminate duplicates Z: 138 84.385 2.324 0.860 0.584 0.912 0.701 CB 1.686 138 residues pruned to eliminate duplicates Z: 14 21.993 2.250 0.744 0.597 0.923 0.769 CB 1.535 14 residues pruned to eliminate duplicates Z: 19 18.447 1.997 0.665 0.580 0.944 0.722 CB 1.283 Z: 29 53.800 2.322 0.754 0.898 1.000 0.857 CB 1.785 29 residues pruned to eliminate duplicates Z: 27 68.523 2.341 1.237 0.919 1.000 0.846 C 1.809 27 residues pruned to eliminate duplicates Z: 43 56.743 2.337 0.866 0.660 0.976 0.810 CB 1.773 43 residues pruned to eliminate duplicates Z: 6 10.213 2.333 0.057 0.805 0.800 0.600 CB 1.775 6 residues pruned to eliminate duplicates Z: 71 68.244 2.391 0.968 0.616 0.914 0.686 CB 1.699 71 residues pruned to eliminate duplicates Z: 125 101.211 2.428 0.931 0.615 0.968 0.694 CB 1.797 125 residues pruned to eliminate duplicates Z: 102 80.686 2.340 1.033 0.566 0.931 0.614 CB 1.701 100 residues pruned to eliminate duplicates Z: 18 13.992 2.067 0.662 0.370 0.765 0.647 CB 1.485 18 residues pruned to eliminate duplicates Z: 110 102.242 2.442 0.999 0.643 0.972 0.716 CB 1.806 110 residues pruned to eliminate duplicates Z: 39 50.309 2.314 0.705 0.716 0.974 0.842 CB 1.748 39 residues pruned to eliminate duplicates Z: 17 30.003 2.180 0.673 0.845 0.938 0.750 CB 1.631 17 residues pruned to eliminate duplicates Z: 16 45.484 2.415 0.819 0.927 1.000 0.933 CA 1.873 16 residues pruned to eliminate duplicates Z: 42 49.921 2.323 0.687 0.652 0.976 0.683 CB 1.771 42 residues pruned to eliminate duplicates Z: 39 61.156 2.452 0.808 0.698 0.974 0.895 CB 1.919 40 residues pruned to eliminate duplicates Z: 101 83.891 2.386 1.057 0.561 0.910 0.640 CB 1.771 101 residues pruned to eliminate duplicates Z: 31 19.662 1.707 0.758 0.706 0.967 0.733 CB 1.026 15 residues pruned to eliminate duplicates Z: 47 33.213 2.323 0.751 0.427 0.826 0.522 CB 1.572 47 residues pruned to eliminate duplicates Z: 8 14.928 2.200 0.333 0.788 0.857 0.714 CB 1.742 8 residues pruned to eliminate duplicates Z: 18 36.696 2.091 1.024 0.906 0.941 0.824 C 1.590 18 residues pruned to eliminate duplicates Z: 24 75.004 2.486 1.368 0.946 1.000 0.826 C 1.837 24 residues pruned to eliminate duplicates Z: 57 55.656 2.374 0.656 0.597 0.964 0.750 CB 1.789 56 residues pruned to eliminate duplicates Z: 15 17.218 2.217 0.771 0.463 0.857 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 25 18.959 2.118 0.618 0.421 0.875 0.417 CB 1.401 25 residues pruned to eliminate duplicates Z: 7 10.277 2.091 0.791 0.639 0.667 0.333 CB 1.475 7 residues pruned to eliminate duplicates Z: 124 100.853 2.437 0.943 0.620 0.951 0.699 CB 1.802 124 residues pruned to eliminate duplicates Z: 82 68.150 2.338 0.834 0.581 0.951 0.815 CB 1.718 82 residues pruned to eliminate duplicates Z: 65 61.053 2.365 0.987 0.610 0.859 0.688 CB 1.703 65 residues pruned to eliminate duplicates Z: 6 18.853 2.308 0.525 0.869 1.000 0.600 CB 1.751 6 residues pruned to eliminate duplicates Z: 65 60.114 2.348 0.922 0.605 0.891 0.609 CB 1.692 65 residues pruned to eliminate duplicates Z: 19 20.782 1.996 0.797 0.533 0.889 0.500 CB 1.487 19 residues pruned to eliminate duplicates Z: 79 71.810 2.339 1.026 0.572 0.923 0.615 CB 1.734 79 residues pruned to eliminate duplicates Z: 12 11.549 1.970 0.886 0.518 0.818 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 27 60.668 2.406 0.879 0.942 1.000 0.808 CB 1.824 27 residues pruned to eliminate duplicates Z: 17 22.763 2.184 0.180 0.881 0.938 0.750 CB 1.704 17 residues pruned to eliminate duplicates Z: 16 16.349 2.102 0.639 0.539 0.800 0.533 CB 1.474 16 residues pruned to eliminate duplicates Z: 39 56.640 2.298 1.124 0.642 0.947 0.632 CB 1.740 39 residues pruned to eliminate duplicates Z: 17 39.295 2.149 1.130 0.899 0.875 0.812 C 1.753 17 residues pruned to eliminate duplicates Z: 7 16.469 2.053 0.521 0.854 1.000 0.667 CA 1.590 7 residues pruned to eliminate duplicates Z: 8 11.468 2.174 0.507 0.505 1.000 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 25 70.595 2.483 1.176 0.946 1.000 0.917 C 1.844 25 residues pruned to eliminate duplicates Z: 8 14.430 2.131 0.393 0.821 1.000 0.714 CA 1.391 8 residues pruned to eliminate duplicates Z: 42 61.274 2.373 0.925 0.666 0.976 0.707 CB 1.842 43 residues pruned to eliminate duplicates Z: 27 60.845 2.426 0.903 0.937 0.962 0.808 CB 1.871 27 residues pruned to eliminate duplicates Z: 60 74.123 2.395 1.159 0.646 0.915 0.644 CB 1.779 60 residues pruned to eliminate duplicates Z: 59 62.671 2.392 0.847 0.653 0.931 0.672 CB 1.735 59 residues pruned to eliminate duplicates Z: 27 69.811 2.348 1.233 0.932 1.000 0.769 CB 1.823 27 residues pruned to eliminate duplicates Z: 16 41.265 2.196 1.030 0.948 1.000 0.800 C 1.651 16 residues pruned to eliminate duplicates Z: 9 23.422 2.236 0.679 0.828 1.000 0.875 C 1.661 9 residues pruned to eliminate duplicates Z: 6 17.256 2.249 0.453 0.884 1.000 0.600 CB 1.706 6 residues pruned to eliminate duplicates Z: 31 19.081 2.247 0.482 0.341 0.833 0.400 CB 1.492 31 residues pruned to eliminate duplicates Z: 16 38.637 2.298 0.714 0.941 1.000 0.733 CB 1.759 16 residues pruned to eliminate duplicates Z: 114 85.600 2.357 1.040 0.584 0.885 0.708 CB 1.745 114 residues pruned to eliminate duplicates Z: 65 84.483 2.456 1.188 0.671 0.922 0.734 CB 1.820 65 residues pruned to eliminate duplicates Z: 39 54.607 2.407 0.724 0.677 0.947 0.842 CB 1.914 40 residues pruned to eliminate duplicates Z: 12 13.356 2.235 0.556 0.260 0.909 0.182 CA 1.676 12 residues pruned to eliminate duplicates Z: 8 4.578 1.603 0.282 0.445 0.714 0.429 N 1.247 8 residues pruned to eliminate duplicates Z: 37 24.353 1.746 0.746 0.699 1.000 0.806 CB 1.111 35 residues pruned to eliminate duplicates Z: 25 76.108 2.484 1.346 0.949 1.000 0.875 C 1.840 25 residues pruned to eliminate duplicates Z: 37 65.008 2.399 1.151 0.673 0.972 0.694 CB 1.840 38 residues pruned to eliminate duplicates Z: 42 44.898 2.327 0.710 0.602 0.951 0.732 CB 1.682 42 residues pruned to eliminate duplicates Z: 15 33.075 2.322 0.397 0.941 1.000 1.000 C 1.890 15 residues pruned to eliminate duplicates Z: 8 17.225 1.807 0.671 0.884 1.000 1.000 CA 1.558 8 residues pruned to eliminate duplicates Z: 37 22.548 1.781 0.713 0.688 0.972 0.778 CB 1.067 37 residues pruned to eliminate duplicates Z: 26 17.658 2.021 0.641 0.287 0.880 0.440 CB 1.537 26 residues pruned to eliminate duplicates Z: 42 59.841 2.332 0.953 0.688 0.951 0.756 CB 1.815 42 residues pruned to eliminate duplicates Z: 10 25.813 2.027 0.841 0.872 1.000 1.000 C 1.679 10 residues pruned to eliminate duplicates Z: 78 77.795 2.298 1.055 0.659 0.961 0.740 CB 1.686 78 residues pruned to eliminate duplicates Z: 15 24.313 2.053 0.897 0.640 0.929 0.786 C 1.576 15 residues pruned to eliminate duplicates Z: 47 68.873 2.411 1.092 0.702 0.935 0.696 CB 1.793 47 residues pruned to eliminate duplicates Z: 11 5.404 1.720 0.759 0.316 0.700 0.600 CB 0.989 Z: 60 55.118 2.302 0.793 0.624 0.898 0.678 CB 1.722 60 residues pruned to eliminate duplicates Z: 8 14.712 1.772 0.796 0.740 1.000 0.571 C 1.409 8 residues pruned to eliminate duplicates Z: 29 22.248 2.202 0.561 0.415 0.893 0.393 CB 1.496 29 residues pruned to eliminate duplicates Z: 90 78.011 2.405 0.960 0.598 0.910 0.663 CB 1.755 90 residues pruned to eliminate duplicates Z: 70 73.266 2.356 1.059 0.651 0.928 0.768 CB 1.703 70 residues pruned to eliminate duplicates Z: 22 10.030 1.507 0.310 0.730 1.000 0.714 CB 0.901 22 residues pruned to eliminate duplicates Z: 8 8.624 1.958 0.794 0.553 0.714 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 6 2.488 1.611 0.317 0.265 0.600 0.200 C 1.143 6 residues pruned to eliminate duplicates Z: 21 9.347 1.533 0.275 0.712 1.000 0.800 CB 0.882 21 residues pruned to eliminate duplicates Z: 21 19.378 2.176 0.655 0.475 0.800 0.700 CB 1.543 21 residues pruned to eliminate duplicates Z: 6 5.986 1.507 0.839 0.640 0.800 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 52 45.592 2.262 0.693 0.580 0.961 0.706 CB 1.606 63 residues pruned to eliminate duplicates Z: 28 19.549 1.719 0.735 0.695 0.963 0.704 CB 1.096 28 residues pruned to eliminate duplicates Z: 16 29.959 2.203 1.119 0.569 1.000 0.800 CB 1.550 16 residues pruned to eliminate duplicates Z: 17 29.473 2.157 0.549 0.835 1.000 0.688 CB 1.651 17 residues pruned to eliminate duplicates Z: 7 19.974 2.185 0.979 0.761 1.000 0.667 CB 1.495 7 residues pruned to eliminate duplicates Z: 96 92.909 2.401 1.024 0.656 0.937 0.695 CB 1.811 160 residues pruned to eliminate duplicates Z: 105 92.869 2.391 0.937 0.668 0.952 0.779 CB 1.769 105 residues pruned to eliminate duplicates Z: 72 49.482 2.221 0.674 0.527 0.901 0.690 CB 1.705 38 residues pruned to eliminate duplicates Z: 12 22.313 2.230 1.085 0.566 0.727 0.636 CA 1.866 12 residues pruned to eliminate duplicates Z: 64 63.999 2.388 0.891 0.580 0.952 0.619 CB 1.736 64 residues pruned to eliminate duplicates Z: 37 50.481 2.352 0.906 0.644 0.944 0.667 CB 1.736 37 residues pruned to eliminate duplicates Z: 17 29.249 2.316 0.428 0.824 0.938 0.625 CB 1.781 17 residues pruned to eliminate duplicates Z: 52 55.556 2.349 0.733 0.599 0.961 0.745 CB 1.809 60 residues pruned to eliminate duplicates Z: 32 16.975 1.705 0.629 0.703 0.968 0.677 CB 0.943 32 residues pruned to eliminate duplicates Z: 6 5.881 1.481 0.633 0.535 1.000 0.400 CB 1.051 6 residues pruned to eliminate duplicates Z: 131 93.358 2.376 1.007 0.603 0.900 0.646 CB 1.729 131 residues pruned to eliminate duplicates Z: 21 29.141 2.388 0.830 0.456 0.850 0.500 CB 1.835 21 residues pruned to eliminate duplicates Z: 27 15.374 1.606 0.636 0.682 0.962 0.615 CB 1.010 Z: 14 29.986 2.446 0.288 0.911 1.000 1.000 CB 1.871 14 residues pruned to eliminate duplicates Z: 50 52.927 2.337 0.761 0.644 0.939 0.673 CB 1.711 50 residues pruned to eliminate duplicates Z: 58 63.415 2.392 0.971 0.637 0.877 0.684 CB 1.787 58 residues pruned to eliminate duplicates Z: 20 21.708 1.933 0.836 0.593 0.947 0.895 CB 1.355 47 residues pruned to eliminate duplicates Z: 27 72.149 2.454 1.083 0.944 1.000 0.808 CB 1.917 27 residues pruned to eliminate duplicates Z: 17 29.831 2.099 0.450 0.889 1.000 0.938 CA 1.764 17 residues pruned to eliminate duplicates Z: 26 71.792 2.357 1.317 0.944 1.000 0.760 CB 1.821 26 residues pruned to eliminate duplicates Z: 17 22.093 2.404 0.274 0.643 0.875 0.625 CB 1.802 17 residues pruned to eliminate duplicates Z: 29 11.659 1.557 0.421 0.691 0.929 0.714 CB 0.900 Z: 20 30.815 2.255 0.590 0.639 0.947 0.789 CB 1.828 20 residues pruned to eliminate duplicates Z: 42 55.642 2.345 0.754 0.663 1.000 0.829 CB 1.817 42 residues pruned to eliminate duplicates Z: 17 22.149 2.230 0.183 0.833 0.938 0.812 CB 1.680 17 residues pruned to eliminate duplicates Z: 125 97.902 2.438 0.895 0.622 0.935 0.710 CB 1.813 188 residues pruned to eliminate duplicates Z: 28 66.721 2.412 0.947 0.930 1.000 0.815 CB 1.911 28 residues pruned to eliminate duplicates Z: 27 72.249 2.312 1.444 0.924 1.000 0.769 C 1.761 27 residues pruned to eliminate duplicates Z: 7 10.429 1.990 0.086 0.900 1.000 1.000 CB 1.408 7 residues pruned to eliminate duplicates Z: 31 46.342 2.238 0.931 0.700 0.900 0.733 CB 1.813 31 residues pruned to eliminate duplicates Z: 7 19.334 2.337 1.020 0.674 0.833 0.667 CB 1.709 7 residues pruned to eliminate duplicates Z: 37 46.744 2.344 0.702 0.655 0.944 0.833 CB 1.789 Z: 10 30.115 2.225 0.849 0.893 1.000 0.667 CA 1.751 10 residues pruned to eliminate duplicates Z: 15 36.048 2.375 0.689 0.899 1.000 0.786 CB 1.716 18 residues pruned to eliminate duplicates Z: 6 9.694 1.681 0.870 0.619 1.000 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 6 9.366 1.841 1.042 0.593 1.000 0.400 CB 1.020 6 residues pruned to eliminate duplicates Z: 28 42.144 2.508 0.963 0.477 0.852 0.481 CB 1.979 28 residues pruned to eliminate duplicates Z: 31 45.442 2.306 0.814 0.688 0.967 0.800 CB 1.727 31 residues pruned to eliminate duplicates Z: 7 14.554 2.144 0.822 0.713 0.833 0.667 CA 1.505 7 residues pruned to eliminate duplicates Z: 51 53.845 2.331 0.802 0.599 0.960 0.680 CB 1.718 51 residues pruned to eliminate duplicates Z: 6 5.219 1.523 0.180 0.831 1.000 1.000 CB 0.975 6 residues pruned to eliminate duplicates Z: 15 10.510 1.862 0.592 0.239 0.929 0.429 CB 1.380 15 residues pruned to eliminate duplicates Z: 25 74.460 2.471 1.343 0.940 1.000 0.792 C 1.823 25 residues pruned to eliminate duplicates Z: 6 3.371 1.521 0.258 0.445 0.800 0.800 CA 1.042 Z: 33 43.222 2.173 0.846 0.615 0.969 0.781 CB 1.763 33 residues pruned to eliminate duplicates Z: 16 43.745 2.273 0.957 0.945 1.000 0.800 CB 1.758 16 residues pruned to eliminate duplicates Z: 8 4.807 1.518 0.628 0.547 0.857 0.429 CB 0.819 Z: 43 55.074 2.274 0.960 0.661 0.952 0.810 CB 1.725 43 residues pruned to eliminate duplicates Z: 24 57.712 2.443 0.776 0.930 1.000 0.913 C 1.941 24 residues pruned to eliminate duplicates Z: 33 50.725 2.495 0.984 0.540 0.906 0.594 C 1.922 33 residues pruned to eliminate duplicates Z: 15 8.756 1.769 0.531 0.325 0.857 0.429 CB 1.221 15 residues pruned to eliminate duplicates Z: 27 67.091 2.464 0.920 0.949 1.000 0.808 CB 1.919 27 residues pruned to eliminate duplicates Z: 18 16.508 2.170 0.590 0.400 0.882 0.529 CB 1.462 26 residues pruned to eliminate duplicates Z: 47 59.546 2.277 1.039 0.665 0.935 0.739 CB 1.737 47 residues pruned to eliminate duplicates Z: 36 65.461 2.411 1.121 0.710 1.000 0.714 CB 1.788 36 residues pruned to eliminate duplicates Z: 16 42.726 2.321 0.785 0.940 1.000 0.667 CB 1.848 16 residues pruned to eliminate duplicates Z: 24 21.120 2.146 0.738 0.436 0.870 0.522 CB 1.451 24 residues pruned to eliminate duplicates Z: 16 18.402 2.246 0.429 0.418 0.933 0.467 CB 1.728 16 residues pruned to eliminate duplicates Z: 28 70.463 2.288 1.352 0.937 0.963 0.889 C 1.821 28 residues pruned to eliminate duplicates Z: 82 69.876 2.342 0.678 0.638 0.975 0.753 CB 1.779 74 residues pruned to eliminate duplicates Z: 107 90.219 2.418 0.982 0.618 0.943 0.660 CB 1.734 107 residues pruned to eliminate duplicates Z: 32 45.592 2.320 0.723 0.696 0.935 0.871 CB 1.832 32 residues pruned to eliminate duplicates Z: 21 28.126 2.302 0.861 0.477 0.900 0.550 CB 1.669 21 residues pruned to eliminate duplicates Z: 15 6.849 1.370 0.166 0.891 1.000 0.929 CB 0.824 15 residues pruned to eliminate duplicates Z: 14 26.882 2.193 0.503 0.842 0.923 0.538 C 1.825 14 residues pruned to eliminate duplicates Z: 15 15.192 1.858 0.922 0.718 0.929 0.571 CB 1.005 7 1.571 1.360 0.523 0.244 0.667 0.667 CB 0.624 ? Z: 13 12.466 2.138 0.542 0.378 0.917 0.500 CB 1.357 13 residues pruned to eliminate duplicates Z: 49 61.991 2.379 0.914 0.651 0.979 0.833 CB 1.744 49 residues pruned to eliminate duplicates Z: 11 16.515 2.175 0.285 0.745 0.900 0.700 CB 1.667 11 residues pruned to eliminate duplicates Z: 30 38.453 2.440 0.789 0.495 0.862 0.517 C 1.908 30 residues pruned to eliminate duplicates Z: 6 2.855 1.448 -0.031 0.625 1.000 0.600 CB 0.809 Z: 29 15.195 1.672 0.583 0.639 0.964 0.679 CB 0.987 30 residues pruned to eliminate duplicates Z: 10 8.705 1.722 0.751 0.457 0.778 0.444 CB 1.293 10 residues pruned to eliminate duplicates Z: 20 25.153 2.208 0.871 0.438 0.895 0.526 CB 1.664 20 residues pruned to eliminate duplicates Z: 25 37.830 2.365 0.616 0.652 1.000 0.750 CB 1.754 25 residues pruned to eliminate duplicates Z: 31 22.929 2.116 0.737 0.518 0.800 0.500 CB 1.399 31 residues pruned to eliminate duplicates Z: 27 61.570 2.320 1.118 0.912 1.000 0.808 CB 1.741 27 residues pruned to eliminate duplicates Z: 17 30.403 2.426 0.974 0.524 0.875 0.562 CB 1.772 17 residues pruned to eliminate duplicates Z: 34 74.670 2.422 1.146 0.787 1.000 0.788 CB 1.942 34 residues pruned to eliminate duplicates Z: 61 71.486 2.320 1.061 0.661 0.967 0.733 CB 1.720 61 residues pruned to eliminate duplicates Z: 7 12.421 1.754 1.452 0.669 0.833 0.833 CB 1.210 7 residues pruned to eliminate duplicates Z: 6 2.133 1.189 0.505 0.297 0.800 0.600 N 0.836 Z: 43 48.253 2.284 0.589 0.676 1.000 0.738 CB 1.744 43 residues pruned to eliminate duplicates Z: 37 31.389 2.223 0.879 0.431 0.861 0.556 CB 1.562 37 residues pruned to eliminate duplicates Z: 31 23.959 2.301 0.774 0.363 0.733 0.500 CB 1.692 31 residues pruned to eliminate duplicates 7 1.841 1.314 0.199 0.347 0.667 0.500 CA 0.845 ? Z: 14 23.169 2.162 0.992 0.524 0.923 0.692 CA 1.579 14 residues pruned to eliminate duplicates Z: 16 22.807 2.248 0.164 0.870 1.000 0.933 CA 1.643 16 residues pruned to eliminate duplicates Z: 12 18.307 1.991 0.698 0.652 0.909 0.818 CA 1.560 12 residues pruned to eliminate duplicates Z: 12 14.245 2.054 0.695 0.536 0.818 0.727 CB 1.456 12 residues pruned to eliminate duplicates Z: 36 54.543 2.366 0.792 0.713 0.971 0.771 CB 1.846 36 residues pruned to eliminate duplicates Z: 22 19.405 2.191 0.663 0.353 0.905 0.333 CB 1.506 22 residues pruned to eliminate duplicates Z: 25 25.840 2.139 0.676 0.482 0.958 0.667 CB 1.563 25 residues pruned to eliminate duplicates Z: 9 17.375 2.326 0.719 0.379 1.000 0.500 CA 1.749 9 residues pruned to eliminate duplicates Z: 16 39.655 2.106 1.045 0.884 1.000 0.733 C 1.718 16 residues pruned to eliminate duplicates Z: 7 3.874 1.887 0.340 0.323 0.833 0.500 CB 0.912 7 residues pruned to eliminate duplicates Z: 66 55.709 2.324 0.789 0.592 0.923 0.692 CB 1.649 66 residues pruned to eliminate duplicates Z: 9 20.532 2.571 0.863 0.382 0.875 0.500 CB 1.964 9 residues pruned to eliminate duplicates Z: 21 37.570 2.305 0.837 0.652 0.950 0.750 CB 1.814 21 residues pruned to eliminate duplicates Z: 18 16.932 2.005 0.618 0.433 0.882 0.471 CB 1.538 18 residues pruned to eliminate duplicates Z: 33 18.514 1.724 0.622 0.630 0.938 0.594 CB 1.104 34 residues pruned to eliminate duplicates Z: 6 7.784 1.645 0.524 0.867 1.000 0.800 CB 1.017 6 residues pruned to eliminate duplicates Z: 27 37.509 2.458 0.807 0.477 0.885 0.500 CB 1.917 27 residues pruned to eliminate duplicates Z: 40 51.932 2.203 0.993 0.630 1.000 0.692 CB 1.676 40 residues pruned to eliminate duplicates Z: 6 2.689 1.644 0.644 0.358 0.800 0.800 CB 0.648 Z: 26 67.060 2.438 1.104 0.938 1.000 0.840 C 1.818 26 residues pruned to eliminate duplicates Z: 35 30.103 2.202 0.599 0.487 0.941 0.706 CB 1.578 35 residues pruned to eliminate duplicates Z: 11 18.547 2.267 0.495 0.495 1.000 0.700 CA 1.739 11 residues pruned to eliminate duplicates Z: 17 25.521 2.246 0.861 0.512 0.938 0.688 CB 1.608 17 residues pruned to eliminate duplicates Z: 10 23.147 2.147 0.762 0.846 1.000 0.556 CB 1.516 10 residues pruned to eliminate duplicates Z: 8 10.260 1.780 0.473 0.823 1.000 0.714 CB 1.117 Z: 13 19.363 2.192 0.991 0.550 0.917 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 80 80.505 2.394 1.071 0.619 0.937 0.696 CB 1.744 80 residues pruned to eliminate duplicates Z: 39 61.714 2.293 1.069 0.710 1.000 0.684 CB 1.745 39 residues pruned to eliminate duplicates Z: 52 55.439 2.266 0.813 0.625 0.980 0.627 CB 1.713 52 residues pruned to eliminate duplicates Z: 28 62.487 2.340 1.062 0.906 1.000 0.815 CB 1.772 28 residues pruned to eliminate duplicates Z: 57 69.295 2.358 1.045 0.631 0.946 0.661 CB 1.795 57 residues pruned to eliminate duplicates Z: 7 2.954 1.464 0.462 0.235 0.667 0.500 C 1.149 Z: 26 61.755 2.597 0.995 0.797 0.920 0.760 CB 1.999 26 residues pruned to eliminate duplicates Z: 8 8.238 2.052 0.265 0.543 0.857 0.571 CB 1.342 8 residues pruned to eliminate duplicates Z: 7 4.801 1.436 0.126 0.907 1.000 1.000 CB 0.861 7 residues pruned to eliminate duplicates Z: 37 25.778 2.192 0.697 0.419 0.778 0.528 CB 1.616 37 residues pruned to eliminate duplicates Z: 33 29.100 2.149 0.852 0.396 0.969 0.406 CB 1.488 33 residues pruned to eliminate duplicates Z: 8 3.289 1.482 0.071 0.565 0.857 0.714 CB 0.859 Z: 14 5.270 1.423 0.051 0.886 1.000 0.923 CB 0.705 14 residues pruned to eliminate duplicates Z: 13 17.100 2.226 0.655 0.517 0.917 0.833 CB 1.436 19 residues pruned to eliminate duplicates Z: 105 93.224 2.418 0.826 0.677 0.990 0.788 CB 1.775 105 residues pruned to eliminate duplicates Z: 37 47.965 2.394 0.715 0.685 0.917 0.667 CB 1.793 37 residues pruned to eliminate duplicates Z: 6 6.326 1.998 0.866 0.569 0.800 0.600 CB 0.887 Z: 21 31.436 2.372 0.854 0.443 0.900 0.400 CB 1.884 21 residues pruned to eliminate duplicates Z: 14 20.807 2.162 0.944 0.564 0.846 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 15 19.942 2.058 0.779 0.460 0.929 0.714 CB 1.633 16 residues pruned to eliminate duplicates Z: 8 13.230 1.861 0.728 0.892 0.857 0.571 CB 1.303 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 25 66.386 2.487 1.015 0.936 1.000 0.792 C 1.883 25 residues pruned to eliminate duplicates Z: 91 83.032 2.404 1.041 0.599 0.922 0.689 CB 1.760 91 residues pruned to eliminate duplicates Z: 125 99.090 2.420 0.950 0.611 0.952 0.694 CB 1.784 125 residues pruned to eliminate duplicates Z: 131 94.410 2.383 0.857 0.618 0.954 0.762 CB 1.755 131 residues pruned to eliminate duplicates Z: 106 90.934 2.395 0.864 0.669 0.962 0.724 CB 1.768 106 residues pruned to eliminate duplicates Z: 88 84.892 2.425 1.055 0.598 0.943 0.644 CB 1.765 88 residues pruned to eliminate duplicates Z: 125 100.397 2.427 0.960 0.617 0.935 0.685 CB 1.815 125 residues pruned to eliminate duplicates Z: 125 99.242 2.433 0.927 0.616 0.944 0.726 CB 1.806 125 residues pruned to eliminate duplicates Z: 125 100.800 2.416 0.959 0.622 0.944 0.710 CB 1.806 125 residues pruned to eliminate duplicates Z: 81 83.434 2.353 0.902 0.704 0.938 0.750 CB 1.847 81 residues pruned to eliminate duplicates Z: 61 71.466 2.396 1.111 0.649 0.900 0.633 CB 1.764 61 residues pruned to eliminate duplicates Z: 125 100.340 2.432 0.925 0.633 0.952 0.734 CB 1.786 125 residues pruned to eliminate duplicates Z: 145 98.613 2.372 0.960 0.590 0.931 0.681 CB 1.743 145 residues pruned to eliminate duplicates Z: 124 100.949 2.441 0.925 0.634 0.943 0.732 CB 1.812 124 residues pruned to eliminate duplicates Z: 105 101.109 2.425 0.975 0.685 0.971 0.798 CB 1.799 105 residues pruned to eliminate duplicates Z: 144 94.722 2.392 0.893 0.586 0.930 0.671 CB 1.732 144 residues pruned to eliminate duplicates Z: 90 84.951 2.412 1.109 0.593 0.910 0.674 CB 1.780 90 residues pruned to eliminate duplicates Z: 135 99.022 2.387 0.913 0.611 0.963 0.672 CB 1.752 135 residues pruned to eliminate duplicates Z: 46 42.513 2.269 0.970 0.501 0.911 0.733 CB 1.555 46 residues pruned to eliminate duplicates Z: 112 97.106 2.414 0.922 0.634 0.982 0.703 CB 1.784 112 residues pruned to eliminate duplicates Z: 62 66.494 2.377 0.955 0.658 0.934 0.656 CB 1.692 62 residues pruned to eliminate duplicates Z: 57 70.851 2.441 1.037 0.639 0.911 0.643 CB 1.835 57 residues pruned to eliminate duplicates Z: 57 75.237 2.439 1.116 0.636 0.929 0.643 CB 1.846 57 residues pruned to eliminate duplicates Z: 95 88.016 2.423 0.968 0.652 0.894 0.660 CB 1.850 95 residues pruned to eliminate duplicates Z: 91 80.037 2.343 0.935 0.661 0.900 0.667 CB 1.781 91 residues pruned to eliminate duplicates Z: 33 50.481 2.351 0.757 0.708 0.969 0.688 CB 1.847 33 residues pruned to eliminate duplicates Z: 32 55.847 2.446 0.824 0.708 1.000 0.710 CB 1.861 32 residues pruned to eliminate duplicates Z: 38 55.133 2.387 0.850 0.669 0.973 0.649 CB 1.804 38 residues pruned to eliminate duplicates Z: 38 58.773 2.370 0.970 0.680 0.973 0.649 CB 1.802 38 residues pruned to eliminate duplicates Z: 37 61.839 2.437 0.851 0.699 1.000 0.694 CB 1.905 37 residues pruned to eliminate duplicates Z: 39 46.810 2.260 0.859 0.651 0.921 0.684 CB 1.705 39 residues pruned to eliminate duplicates Z: 28 55.323 2.372 0.916 0.725 1.000 0.593 CB 1.912 28 residues pruned to eliminate duplicates Z: 40 61.617 2.327 1.067 0.703 0.974 0.718 CB 1.749 40 residues pruned to eliminate duplicates Z: 38 63.776 2.394 1.036 0.706 0.973 0.649 CB 1.833 38 residues pruned to eliminate duplicates Z: 38 61.108 2.386 1.029 0.667 0.973 0.649 CB 1.828 38 residues pruned to eliminate duplicates Z: 35 57.242 2.382 0.989 0.666 0.971 0.588 CB 1.831 35 residues pruned to eliminate duplicates Z: 37 63.226 2.436 1.092 0.671 0.944 0.667 CB 1.869 37 residues pruned to eliminate duplicates Z: 36 68.723 2.466 1.126 0.691 0.971 0.686 CB 1.915 36 residues pruned to eliminate duplicates Z: 37 64.422 2.438 1.049 0.692 0.972 0.750 CB 1.855 37 residues pruned to eliminate duplicates Z: 47 67.656 2.439 1.129 0.633 0.935 0.674 CB 1.813 47 residues pruned to eliminate duplicates Z: 38 61.103 2.405 1.101 0.666 0.919 0.595 CB 1.855 38 residues pruned to eliminate duplicates Z: 31 59.065 2.431 1.025 0.677 0.967 0.567 CB 1.926 31 residues pruned to eliminate duplicates Z: 40 57.747 2.326 1.042 0.670 0.949 0.692 CB 1.754 40 residues pruned to eliminate duplicates Z: 37 66.741 2.433 1.022 0.714 0.972 0.639 CB 1.916 37 residues pruned to eliminate duplicates Z: 37 69.389 2.429 1.066 0.699 1.000 0.639 CB 1.921 37 residues pruned to eliminate duplicates Z: 37 65.959 2.431 1.113 0.667 0.972 0.556 CB 1.887 37 residues pruned to eliminate duplicates Z: 38 66.914 2.385 1.132 0.691 1.000 0.811 CB 1.816 38 residues pruned to eliminate duplicates Z: 38 63.637 2.390 1.101 0.679 0.973 0.703 CB 1.816 38 residues pruned to eliminate duplicates Z: 37 66.862 2.443 1.150 0.682 0.972 0.639 CB 1.845 37 residues pruned to eliminate duplicates Z: 35 57.669 2.382 1.081 0.659 0.941 0.765 CB 1.829 35 residues pruned to eliminate duplicates Z: 38 64.026 2.394 1.145 0.680 0.946 0.757 CB 1.837 38 residues pruned to eliminate duplicates Z: 39 58.601 2.354 1.037 0.681 0.947 0.632 CB 1.772 39 residues pruned to eliminate duplicates Z: 37 61.795 2.415 1.124 0.663 0.972 0.583 CB 1.775 37 residues pruned to eliminate duplicates Z: 102 91.279 2.341 1.127 0.639 0.921 0.683 CB 1.739 102 residues pruned to eliminate duplicates Z: 40 50.157 2.293 0.961 0.648 0.923 0.564 CB 1.685 40 residues pruned to eliminate duplicates Z: 42 52.320 2.261 1.044 0.651 0.951 0.585 CB 1.616 42 residues pruned to eliminate duplicates Z: 38 57.696 2.360 1.025 0.655 0.946 0.622 CB 1.816 38 residues pruned to eliminate duplicates Z: 7 14.659 2.112 0.985 0.643 0.833 0.500 CB 1.500 7 residues pruned to eliminate duplicates Z: 47 57.687 2.409 1.008 0.589 0.891 0.609 CB 1.812 47 residues pruned to eliminate duplicates Z: 37 58.421 2.384 1.059 0.657 0.917 0.639 CB 1.871 37 residues pruned to eliminate duplicates Z: 11 25.024 2.305 1.036 0.664 0.900 0.700 CA 1.609 11 residues pruned to eliminate duplicates Z: 104 64.646 2.328 0.868 0.511 0.874 0.650 CB 1.658 104 residues pruned to eliminate duplicates Z: 18 27.529 2.369 1.216 0.464 0.882 0.588 CB 1.495 18 residues pruned to eliminate duplicates Z: 10 28.909 2.468 1.398 0.564 0.778 0.667 CB 1.966 10 residues pruned to eliminate duplicates Z: 11 26.534 2.485 1.335 0.498 0.800 0.700 CB 1.811 11 residues pruned to eliminate duplicates Z: 13 19.268 2.186 1.363 0.419 0.750 0.583 CB 1.561 13 residues pruned to eliminate duplicates Z: 28 26.581 2.311 0.963 0.380 0.852 0.519 CB 1.505 28 residues pruned to eliminate duplicates Z: 88 66.828 2.396 0.925 0.536 0.885 0.667 CB 1.694 88 residues pruned to eliminate duplicates Z: 12 20.877 2.206 1.134 0.452 0.818 0.636 CB 1.717 12 residues pruned to eliminate duplicates Z: 29 29.275 2.225 1.005 0.442 0.893 0.500 CB 1.474 29 residues pruned to eliminate duplicates Z: 13 9.904 1.847 0.713 0.387 0.833 0.417 CB 1.222 13 residues pruned to eliminate duplicates Z: 10 11.868 2.167 1.097 0.398 0.778 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 80 65.170 2.405 0.916 0.549 0.899 0.633 CB 1.688 80 residues pruned to eliminate duplicates Z: 85 62.382 2.287 0.908 0.585 0.905 0.702 CB 1.590 85 residues pruned to eliminate duplicates Z: 77 71.881 2.427 0.949 0.581 0.921 0.724 CB 1.751 77 residues pruned to eliminate duplicates Z: 20 17.020 2.172 0.859 0.392 0.789 0.421 CB 1.373 20 residues pruned to eliminate duplicates Z: 25 20.011 2.179 0.575 0.391 0.917 0.458 CB 1.457 25 residues pruned to eliminate duplicates Z: 74 63.736 2.396 0.887 0.549 0.904 0.589 CB 1.740 74 residues pruned to eliminate duplicates Z: 74 57.625 2.331 0.908 0.540 0.863 0.644 CB 1.690 74 residues pruned to eliminate duplicates Z: 40 21.096 2.171 0.694 0.311 0.821 0.410 CB 1.381 40 residues pruned to eliminate duplicates Z: 88 67.378 2.358 0.864 0.535 0.931 0.621 CB 1.706 88 residues pruned to eliminate duplicates Z: 69 62.001 2.338 0.910 0.588 0.912 0.632 CB 1.696 69 residues pruned to eliminate duplicates Z: 83 64.548 2.357 0.933 0.558 0.878 0.634 CB 1.683 83 residues pruned to eliminate duplicates Z: 27 26.115 2.267 0.741 0.462 0.885 0.577 CB 1.525 27 residues pruned to eliminate duplicates Z: 75 59.674 2.327 0.803 0.632 0.919 0.730 CB 1.590 75 residues pruned to eliminate duplicates Z: 22 23.343 2.216 0.682 0.468 0.905 0.667 CB 1.561 22 residues pruned to eliminate duplicates Z: 73 60.515 2.393 0.842 0.586 0.875 0.694 CB 1.702 73 residues pruned to eliminate duplicates Z: 74 62.354 2.368 0.870 0.590 0.904 0.712 CB 1.673 74 residues pruned to eliminate duplicates Z: 31 23.419 2.239 0.643 0.393 0.900 0.467 CB 1.446 31 residues pruned to eliminate duplicates Z: 75 63.550 2.364 0.847 0.566 0.919 0.703 CB 1.727 75 residues pruned to eliminate duplicates Z: 66 59.371 2.382 0.740 0.600 0.923 0.738 CB 1.750 66 residues pruned to eliminate duplicates Z: 76 63.168 2.372 0.961 0.545 0.893 0.640 CB 1.679 76 residues pruned to eliminate duplicates Z: 69 69.721 2.334 0.982 0.605 0.941 0.632 CB 1.758 69 residues pruned to eliminate duplicates Z: 61 60.387 2.360 0.829 0.655 0.917 0.667 CB 1.706 61 residues pruned to eliminate duplicates Z: 73 62.024 2.374 0.852 0.601 0.903 0.708 CB 1.672 73 residues pruned to eliminate duplicates Z: 29 18.569 2.063 0.802 0.370 0.821 0.393 CB 1.321 29 residues pruned to eliminate duplicates Z: 81 65.824 2.379 0.944 0.551 0.887 0.600 CB 1.706 81 residues pruned to eliminate duplicates Z: 27 22.279 2.176 0.737 0.420 0.846 0.538 CB 1.486 27 residues pruned to eliminate duplicates Z: 40 28.089 2.279 0.775 0.365 0.846 0.436 CB 1.520 40 residues pruned to eliminate duplicates Z: 71 53.096 2.361 0.645 0.588 0.900 0.600 CB 1.668 71 residues pruned to eliminate duplicates Z: 89 65.408 2.347 0.917 0.587 0.886 0.716 CB 1.609 89 residues pruned to eliminate duplicates Z: 76 58.959 2.364 0.836 0.560 0.867 0.680 CB 1.707 76 residues pruned to eliminate duplicates Z: 47 71.888 2.497 0.949 0.717 0.935 0.783 CB 1.915 47 residues pruned to eliminate duplicates Z: 88 65.304 2.312 0.925 0.597 0.885 0.655 CB 1.621 88 residues pruned to eliminate duplicates Z: 66 57.841 2.345 0.841 0.597 0.908 0.662 CB 1.668 66 residues pruned to eliminate duplicates Z: 42 70.284 2.457 1.061 0.719 0.976 0.659 CB 1.822 42 residues pruned to eliminate duplicates Z: 72 66.885 2.408 0.882 0.606 0.887 0.676 CB 1.785 72 residues pruned to eliminate duplicates Z: 48 72.164 2.509 1.050 0.700 0.915 0.872 CB 1.864 48 residues pruned to eliminate duplicates Z: 73 72.944 2.399 1.037 0.610 0.917 0.625 CB 1.729 73 residues pruned to eliminate duplicates Z: 65 70.957 2.414 0.948 0.634 0.938 0.688 CB 1.774 65 residues pruned to eliminate duplicates Z: 53 65.616 2.443 0.957 0.627 0.942 0.750 CB 1.792 53 residues pruned to eliminate duplicates Z: 87 67.671 2.386 0.958 0.539 0.907 0.674 CB 1.657 87 residues pruned to eliminate duplicates Z: 76 67.882 2.385 0.968 0.583 0.907 0.680 CB 1.701 76 residues pruned to eliminate duplicates Z: 79 63.740 2.384 0.928 0.569 0.910 0.654 CB 1.614 79 residues pruned to eliminate duplicates Z: 86 71.868 2.416 1.005 0.558 0.871 0.659 CB 1.746 86 residues pruned to eliminate duplicates Z: 79 66.791 2.393 0.950 0.566 0.885 0.551 CB 1.718 79 residues pruned to eliminate duplicates Z: 46 71.631 2.451 1.121 0.692 0.956 0.733 CB 1.802 46 residues pruned to eliminate duplicates Z: 74 72.507 2.324 1.009 0.654 0.959 0.726 CB 1.643 74 residues pruned to eliminate duplicates Z: 44 71.969 2.414 1.085 0.715 0.953 0.674 CB 1.883 44 residues pruned to eliminate duplicates Z: 41 72.904 2.535 1.131 0.750 0.900 0.825 CB 1.897 41 residues pruned to eliminate duplicates Z: 72 64.946 2.387 0.933 0.601 0.887 0.690 CB 1.710 72 residues pruned to eliminate duplicates Z: 50 70.327 2.486 1.076 0.672 0.898 0.776 CB 1.850 50 residues pruned to eliminate duplicates Z: 79 68.789 2.387 1.009 0.578 0.897 0.654 CB 1.678 79 residues pruned to eliminate duplicates Z: 69 66.073 2.316 0.965 0.613 0.926 0.662 CB 1.707 69 residues pruned to eliminate duplicates Z: 82 64.578 2.350 0.976 0.575 0.914 0.642 CB 1.573 82 residues pruned to eliminate duplicates Z: 68 70.213 2.378 0.968 0.622 0.940 0.716 CB 1.737 68 residues pruned to eliminate duplicates Z: 44 70.180 2.444 1.031 0.725 0.953 0.744 CB 1.846 44 residues pruned to eliminate duplicates Z: 72 74.792 2.390 1.062 0.624 0.944 0.648 CB 1.698 72 residues pruned to eliminate duplicates Z: 67 70.246 2.375 0.966 0.632 0.939 0.682 CB 1.741 67 residues pruned to eliminate duplicates Z: 72 70.148 2.407 1.022 0.594 0.901 0.662 CB 1.735 72 residues pruned to eliminate duplicates Z: 66 73.795 2.409 1.087 0.635 0.923 0.708 CB 1.737 66 residues pruned to eliminate duplicates Z: 49 75.082 2.407 1.190 0.765 0.958 0.812 CB 1.695 49 residues pruned to eliminate duplicates Z: 24 30.709 2.138 1.010 0.535 0.870 0.609 CB 1.655 24 residues pruned to eliminate duplicates Z: 41 75.518 2.530 1.089 0.775 0.925 0.750 CB 1.916 41 residues pruned to eliminate duplicates Z: 22 25.259 2.220 0.972 0.452 0.857 0.667 CB 1.543 22 residues pruned to eliminate duplicates Z: 73 70.943 2.373 0.995 0.597 0.917 0.694 CB 1.756 73 residues pruned to eliminate duplicates Z: 77 69.059 2.375 1.055 0.581 0.882 0.645 CB 1.703 77 residues pruned to eliminate duplicates Z: 71 62.138 2.354 1.013 0.543 0.886 0.571 CB 1.697 71 residues pruned to eliminate duplicates Z: 81 69.809 2.375 1.050 0.585 0.875 0.625 CB 1.689 81 residues pruned to eliminate duplicates Z: 79 65.195 2.366 0.967 0.572 0.872 0.564 CB 1.698 79 residues pruned to eliminate duplicates Z: 26 19.960 1.810 0.657 0.647 0.960 0.680 CB 1.209 26 residues pruned to eliminate duplicates Z: 6 4.756 2.041 0.447 0.320 0.800 0.400 CB 1.097 6 residues pruned to eliminate duplicates Z: 33 23.336 1.788 0.843 0.676 0.969 0.531 CB 1.099 32 residues pruned to eliminate duplicates 6 1.959 1.809 1.058 0.360 0.400 0.400 CB 0.684 ? Z: 6 8.392 2.184 1.192 0.264 0.800 0.600 CA 1.282 6 residues pruned to eliminate duplicates Z: 10 37.180 2.601 1.359 0.646 0.889 0.778 CA 1.983 10 residues pruned to eliminate duplicates Z: 142 94.426 2.410 0.828 0.584 0.943 0.688 CB 1.765 143 residues pruned to eliminate duplicates Z: 6 4.296 1.969 0.630 0.282 0.600 0.400 CA 1.276 6 residues pruned to eliminate duplicates Z: 11 25.439 2.576 1.136 0.443 0.800 0.600 CB 1.938 11 residues pruned to eliminate duplicates Z: 16 15.814 2.232 0.827 0.347 0.800 0.400 CB 1.478 16 residues pruned to eliminate duplicates Z: 16 14.420 2.190 0.814 0.343 0.733 0.467 CB 1.515 16 residues pruned to eliminate duplicates Z: 13 17.119 2.475 0.775 0.313 0.750 0.417 CB 1.845 13 residues pruned to eliminate duplicates Z: 19 20.928 2.146 0.738 0.335 0.944 0.389 CA 1.677 19 residues pruned to eliminate duplicates Z: 8 6.066 1.979 0.749 0.305 0.714 0.286 CB 1.152 8 residues pruned to eliminate duplicates Z: 41 33.440 2.239 0.814 0.376 0.900 0.425 CB 1.651 41 residues pruned to eliminate duplicates Z: 151 90.536 2.353 0.823 0.553 0.933 0.660 CB 1.753 151 residues pruned to eliminate duplicates Z: 41 34.229 2.243 0.772 0.379 0.925 0.475 CB 1.674 41 residues pruned to eliminate duplicates Z: 139 94.526 2.372 0.880 0.592 0.949 0.717 CB 1.741 138 residues pruned to eliminate duplicates Z: 6 2.226 1.408 0.545 0.435 0.800 0.600 CB 0.611 6 residues pruned to eliminate duplicates Z: 26 27.890 2.242 0.747 0.453 0.880 0.520 CB 1.698 26 residues pruned to eliminate duplicates Z: 74 62.904 2.347 0.911 0.528 0.904 0.644 CB 1.766 74 residues pruned to eliminate duplicates Z: 22 20.275 2.275 0.734 0.350 0.714 0.429 CB 1.846 22 residues pruned to eliminate duplicates Z: 19 9.938 1.710 0.414 0.499 0.889 0.500 CB 1.090 19 residues pruned to eliminate duplicates Z: 23 23.780 2.263 0.758 0.341 0.864 0.364 CB 1.756 23 residues pruned to eliminate duplicates Z: 28 23.378 2.149 0.771 0.384 0.778 0.481 CB 1.719 28 residues pruned to eliminate duplicates Z: 138 92.140 2.370 0.859 0.597 0.956 0.701 CB 1.703 140 residues pruned to eliminate duplicates Z: 6 7.852 1.812 0.751 0.420 1.000 0.400 CA 1.203 6 residues pruned to eliminate duplicates Z: 21 31.884 2.450 1.008 0.409 0.850 0.450 CB 1.877 21 residues pruned to eliminate duplicates Z: 124 100.371 2.451 0.899 0.634 0.951 0.707 CB 1.803 132 residues pruned to eliminate duplicates Z: 124 103.049 2.449 0.963 0.637 0.943 0.715 CB 1.802 124 residues pruned to eliminate duplicates Z: 22 29.290 2.273 0.917 0.457 0.857 0.381 CB 1.788 22 residues pruned to eliminate duplicates Z: 126 97.848 2.428 0.858 0.622 0.960 0.688 CB 1.801 126 residues pruned to eliminate duplicates Z: 32 33.625 2.345 0.788 0.431 0.871 0.387 CB 1.775 32 residues pruned to eliminate duplicates Z: 75 76.324 2.418 0.979 0.622 0.932 0.730 CB 1.772 75 residues pruned to eliminate duplicates Z: 21 28.853 2.333 0.913 0.416 0.850 0.500 C 1.856 21 residues pruned to eliminate duplicates Z: 12 14.729 2.443 0.670 0.174 0.909 0.091 CB 1.775 12 residues pruned to eliminate duplicates Z: 15 13.766 2.348 0.780 0.192 0.714 0.143 CB 1.782 15 residues pruned to eliminate duplicates Z: 126 98.729 2.432 0.952 0.617 0.928 0.696 CB 1.795 126 residues pruned to eliminate duplicates Z: 64 35.638 2.221 0.790 0.353 0.825 0.444 CB 1.605 64 residues pruned to eliminate duplicates Z: 124 95.226 2.440 0.843 0.619 0.943 0.699 CB 1.809 138 residues pruned to eliminate duplicates Z: 8 6.555 1.783 1.034 0.440 0.714 0.286 CB 1.018 8 residues pruned to eliminate duplicates Z: 129 97.199 2.409 0.912 0.607 0.953 0.703 CB 1.769 129 residues pruned to eliminate duplicates Z: 137 101.268 2.422 0.896 0.613 0.949 0.662 CB 1.791 137 residues pruned to eliminate duplicates Z: 124 103.373 2.442 0.963 0.626 0.951 0.667 CB 1.815 124 residues pruned to eliminate duplicates Z: 107 87.990 2.376 0.856 0.644 0.972 0.717 CB 1.744 107 residues pruned to eliminate duplicates Z: 60 74.654 2.439 0.976 0.670 0.949 0.695 CB 1.816 60 residues pruned to eliminate duplicates Z: 104 95.007 2.447 0.890 0.671 0.951 0.786 CB 1.818 104 residues pruned to eliminate duplicates Z: 75 76.763 2.406 1.028 0.612 0.946 0.635 CB 1.739 75 residues pruned to eliminate duplicates Z: 125 100.993 2.420 0.965 0.615 0.944 0.677 CB 1.812 125 residues pruned to eliminate duplicates Z: 122 96.424 2.388 0.870 0.645 0.959 0.760 CB 1.788 107 residues pruned to eliminate duplicates Z: 26 66.003 2.423 1.126 0.946 0.960 0.920 C 1.846 26 residues pruned to eliminate duplicates Z: 70 79.386 2.379 1.060 0.649 0.971 0.681 CB 1.748 70 residues pruned to eliminate duplicates Z: 146 102.262 2.381 0.931 0.589 0.959 0.683 CB 1.771 146 residues pruned to eliminate duplicates Z: 123 104.713 2.461 0.972 0.632 0.943 0.689 CB 1.830 123 residues pruned to eliminate duplicates Z: 142 97.581 2.375 0.934 0.595 0.943 0.695 CB 1.732 142 residues pruned to eliminate duplicates Z: 72 68.210 2.403 0.800 0.612 0.972 0.718 CB 1.733 72 residues pruned to eliminate duplicates Z: 125 95.560 2.395 0.929 0.621 0.944 0.677 CB 1.756 125 residues pruned to eliminate duplicates Z: 130 102.253 2.410 0.983 0.606 0.946 0.705 CB 1.800 130 residues pruned to eliminate duplicates Z: 137 102.670 2.410 0.953 0.598 0.949 0.640 CB 1.797 137 residues pruned to eliminate duplicates Z: 55 60.003 2.397 0.907 0.577 0.981 0.630 CB 1.691 55 residues pruned to eliminate duplicates Z: 106 101.406 2.429 0.966 0.683 0.971 0.743 CB 1.803 106 residues pruned to eliminate duplicates Z: 89 87.018 2.414 1.095 0.602 0.943 0.659 CB 1.765 89 residues pruned to eliminate duplicates Z: 123 105.272 2.461 0.982 0.619 0.951 0.639 CB 1.837 123 residues pruned to eliminate duplicates Z: 124 101.153 2.459 0.895 0.624 0.951 0.732 CB 1.830 124 residues pruned to eliminate duplicates Z: 118 95.338 2.387 0.937 0.629 0.974 0.752 CB 1.733 118 residues pruned to eliminate duplicates Z: 125 101.272 2.428 0.949 0.631 0.944 0.677 CB 1.801 125 residues pruned to eliminate duplicates Z: 31 25.718 2.194 0.787 0.384 0.900 0.567 CB 1.505 31 residues pruned to eliminate duplicates Z: 123 104.375 2.455 0.976 0.630 0.951 0.713 CB 1.814 123 residues pruned to eliminate duplicates Z: 107 98.860 2.415 0.980 0.669 0.962 0.774 CB 1.785 107 residues pruned to eliminate duplicates Z: 93 87.716 2.351 1.070 0.666 0.946 0.739 CB 1.706 93 residues pruned to eliminate duplicates Z: 124 103.261 2.446 0.941 0.631 0.951 0.715 CB 1.823 124 residues pruned to eliminate duplicates Z: 124 105.750 2.443 0.951 0.639 0.967 0.715 CB 1.817 124 residues pruned to eliminate duplicates Z: 125 105.571 2.443 0.970 0.630 0.960 0.734 CB 1.816 125 residues pruned to eliminate duplicates Z: 73 69.231 2.385 0.836 0.595 0.972 0.681 CB 1.750 73 residues pruned to eliminate duplicates Z: 58 56.264 2.357 0.716 0.573 0.965 0.737 CB 1.780 58 residues pruned to eliminate duplicates Z: 70 82.421 2.376 1.107 0.634 1.000 0.797 CB 1.747 70 residues pruned to eliminate duplicates Z: 124 98.761 2.434 0.905 0.630 0.951 0.732 CB 1.786 124 residues pruned to eliminate duplicates Z: 125 103.411 2.426 0.963 0.621 0.968 0.718 CB 1.797 125 residues pruned to eliminate duplicates Z: 124 103.194 2.440 0.966 0.632 0.951 0.707 CB 1.802 124 residues pruned to eliminate duplicates Z: 107 97.026 2.419 0.945 0.660 0.962 0.764 CB 1.794 107 residues pruned to eliminate duplicates Z: 75 62.269 2.332 0.711 0.589 0.932 0.703 CB 1.787 75 residues pruned to eliminate duplicates Z: 125 103.708 2.434 0.934 0.629 0.968 0.694 CB 1.810 125 residues pruned to eliminate duplicates Z: 42 53.355 2.373 0.687 0.655 0.976 0.780 CB 1.847 42 residues pruned to eliminate duplicates Z: 138 96.238 2.378 0.916 0.603 0.934 0.708 CB 1.751 138 residues pruned to eliminate duplicates Z: 105 99.160 2.430 0.955 0.671 0.981 0.750 CB 1.782 105 residues pruned to eliminate duplicates Z: 109 95.542 2.417 0.987 0.656 0.935 0.713 CB 1.770 109 residues pruned to eliminate duplicates Z: 47 62.126 2.430 0.760 0.675 0.957 0.717 CB 1.906 47 residues pruned to eliminate duplicates Z: 124 102.606 2.448 0.960 0.617 0.951 0.732 CB 1.815 124 residues pruned to eliminate duplicates Z: 104 95.213 2.442 0.920 0.636 0.961 0.806 CB 1.832 104 residues pruned to eliminate duplicates Z: 102 88.201 2.387 0.932 0.654 0.941 0.683 CB 1.753 102 residues pruned to eliminate duplicates Z: 107 99.661 2.410 0.971 0.650 0.981 0.736 CB 1.806 107 residues pruned to eliminate duplicates Z: 85 72.515 2.353 0.742 0.628 0.964 0.750 CB 1.774 85 residues pruned to eliminate duplicates Z: 42 51.978 2.422 0.584 0.661 0.976 0.732 CB 1.867 42 residues pruned to eliminate duplicates Z: 105 86.822 2.405 0.871 0.655 0.952 0.750 CB 1.720 105 residues pruned to eliminate duplicates Z: 123 105.499 2.465 0.941 0.632 0.959 0.738 CB 1.839 123 residues pruned to eliminate duplicates Z: 108 83.698 2.335 0.924 0.615 0.935 0.664 CB 1.728 108 residues pruned to eliminate duplicates Z: 79 68.382 2.348 0.847 0.596 0.974 0.808 CB 1.671 79 residues pruned to eliminate duplicates Z: 41 58.506 2.397 0.847 0.690 0.950 0.775 CB 1.848 41 residues pruned to eliminate duplicates Z: 56 53.103 2.336 0.754 0.569 0.927 0.764 CB 1.763 56 residues pruned to eliminate duplicates Z: 41 52.429 2.384 0.668 0.683 0.975 0.775 CB 1.808 41 residues pruned to eliminate duplicates Z: 131 95.791 2.384 0.919 0.614 0.938 0.708 CB 1.758 131 residues pruned to eliminate duplicates Z: 41 57.288 2.416 0.776 0.657 1.000 0.850 CB 1.825 41 residues pruned to eliminate duplicates Z: 127 98.106 2.420 0.927 0.621 0.952 0.698 CB 1.755 127 residues pruned to eliminate duplicates Z: 44 44.870 2.255 0.692 0.639 0.907 0.674 CB 1.735 44 residues pruned to eliminate duplicates Z: 72 64.746 2.392 0.774 0.589 0.972 0.761 CB 1.711 72 residues pruned to eliminate duplicates Z: 97 84.056 2.380 0.945 0.619 0.917 0.656 CB 1.807 97 residues pruned to eliminate duplicates Z: 41 52.220 2.407 0.698 0.633 0.950 0.775 CB 1.876 41 residues pruned to eliminate duplicates Z: 42 52.239 2.359 0.796 0.648 0.951 0.780 CB 1.764 42 residues pruned to eliminate duplicates Z: 47 55.090 2.313 0.803 0.658 0.957 0.761 CB 1.758 47 residues pruned to eliminate duplicates Z: 40 58.713 2.437 0.769 0.675 0.974 0.769 CB 1.905 40 residues pruned to eliminate duplicates Z: 42 49.202 2.354 0.679 0.602 0.951 0.707 CB 1.855 42 residues pruned to eliminate duplicates Z: 59 51.506 2.269 0.750 0.571 0.914 0.776 CB 1.741 59 residues pruned to eliminate duplicates Z: 124 104.094 2.445 0.947 0.630 0.967 0.732 CB 1.802 124 residues pruned to eliminate duplicates Z: 110 94.304 2.371 0.949 0.653 0.972 0.789 CB 1.743 110 residues pruned to eliminate duplicates Z: 115 90.924 2.389 0.805 0.631 0.982 0.737 CB 1.778 115 residues pruned to eliminate duplicates Z: 122 95.447 2.421 0.960 0.615 0.934 0.686 CB 1.756 122 residues pruned to eliminate duplicates Z: 41 59.074 2.413 0.797 0.678 0.950 0.825 CB 1.925 41 residues pruned to eliminate duplicates Z: 43 52.168 2.367 0.703 0.645 1.000 0.762 CB 1.743 43 residues pruned to eliminate duplicates Z: 43 55.199 2.371 0.730 0.667 1.000 0.762 CB 1.779 43 residues pruned to eliminate duplicates Z: 50 50.107 2.345 0.655 0.613 0.959 0.694 CB 1.727 50 residues pruned to eliminate duplicates Z: 48 50.119 2.366 0.687 0.597 0.957 0.745 CB 1.743 22 residues pruned to eliminate duplicates Z: 6 2.654 1.443 0.295 0.343 0.600 0.400 N 1.256 6 residues pruned to eliminate duplicates Z: 50 62.270 2.369 0.911 0.662 0.980 0.776 CB 1.727 50 residues pruned to eliminate duplicates Z: 42 54.048 2.388 0.811 0.660 0.976 0.707 CB 1.725 40 residues pruned to eliminate duplicates Z: 18 29.469 2.313 0.365 0.812 1.000 0.824 CB 1.725 18 residues pruned to eliminate duplicates Z: 51 54.777 2.350 0.836 0.622 0.940 0.740 CB 1.702 51 residues pruned to eliminate duplicates Z: 18 26.016 2.188 0.501 0.800 0.941 0.647 CB 1.570 18 residues pruned to eliminate duplicates Z: 51 55.886 2.347 0.832 0.599 0.960 0.680 CB 1.743 51 residues pruned to eliminate duplicates Z: 41 58.370 2.435 0.827 0.666 0.975 0.750 CB 1.825 41 residues pruned to eliminate duplicates Z: 40 59.527 2.453 0.860 0.660 0.949 0.769 CB 1.898 42 residues pruned to eliminate duplicates Z: 17 30.001 2.289 0.333 0.896 1.000 0.938 CB 1.760 17 residues pruned to eliminate duplicates Z: 41 62.137 2.418 0.949 0.676 0.950 0.825 CB 1.866 41 residues pruned to eliminate duplicates Z: 41 57.440 2.412 0.923 0.652 0.950 0.725 CB 1.790 41 residues pruned to eliminate duplicates Z: 42 57.464 2.378 0.925 0.629 0.951 0.707 CB 1.826 42 residues pruned to eliminate duplicates Z: 45 58.947 2.377 0.945 0.614 0.932 0.750 CB 1.852 45 residues pruned to eliminate duplicates Z: 52 59.300 2.279 0.890 0.638 0.980 0.765 CB 1.727 52 residues pruned to eliminate duplicates Z: 42 55.980 2.370 0.884 0.641 0.951 0.756 CB 1.804 40 residues pruned to eliminate duplicates Z: 16 39.659 2.330 0.924 0.868 0.933 0.733 CB 1.789 16 residues pruned to eliminate duplicates Z: 43 62.774 2.348 0.963 0.664 1.000 0.690 CB 1.806 43 residues pruned to eliminate duplicates Z: 26 56.152 2.379 0.920 0.836 1.000 0.760 CB 1.839 26 residues pruned to eliminate duplicates Z: 41 57.875 2.375 0.915 0.653 0.975 0.750 CB 1.790 41 residues pruned to eliminate duplicates Z: 42 52.950 2.366 0.869 0.639 0.951 0.756 CB 1.726 42 residues pruned to eliminate duplicates Z: 42 59.502 2.370 0.878 0.667 0.976 0.756 CB 1.833 42 residues pruned to eliminate duplicates Z: 50 54.891 2.359 0.821 0.620 0.939 0.755 CB 1.737 50 residues pruned to eliminate duplicates Z: 98 81.484 2.375 0.925 0.596 0.918 0.691 CB 1.799 98 residues pruned to eliminate duplicates Z: 51 60.554 2.352 0.942 0.616 0.980 0.740 CB 1.715 51 residues pruned to eliminate duplicates Z: 42 61.159 2.364 0.948 0.663 0.976 0.707 CB 1.827 42 residues pruned to eliminate duplicates Z: 52 51.906 2.306 0.857 0.581 0.941 0.706 CB 1.669 52 residues pruned to eliminate duplicates Z: 43 53.816 2.331 0.894 0.610 0.952 0.714 CB 1.780 43 residues pruned to eliminate duplicates Z: 42 58.012 2.357 0.902 0.641 0.976 0.756 CB 1.815 42 residues pruned to eliminate duplicates Z: 51 60.285 2.358 0.867 0.649 0.980 0.800 CB 1.719 51 residues pruned to eliminate duplicates Z: 51 57.012 2.301 0.883 0.651 0.980 0.840 CB 1.649 51 residues pruned to eliminate duplicates Z: 42 57.906 2.353 0.847 0.656 0.976 0.732 CB 1.845 42 residues pruned to eliminate duplicates Z: 16 7.819 1.477 0.336 0.798 1.000 0.800 CB 0.788 16 residues pruned to eliminate duplicates Z: 16 8.427 1.413 0.346 0.853 1.000 0.867 CB 0.846 16 residues pruned to eliminate duplicates Z: 37 20.710 1.719 0.717 0.664 0.972 0.778 CB 1.033 37 residues pruned to eliminate duplicates Z: 36 15.340 1.679 0.520 0.611 0.914 0.629 CB 1.000 36 residues pruned to eliminate duplicates Z: 22 10.668 1.499 0.469 0.717 1.000 0.762 CB 0.868 17 residues pruned to eliminate duplicates Z: 14 8.316 1.447 0.449 0.933 1.000 0.923 CB 0.768 14 residues pruned to eliminate duplicates Z: 23 10.628 1.492 0.476 0.700 0.955 0.727 CB 0.898 23 residues pruned to eliminate duplicates Z: 14 8.617 1.435 0.528 0.926 1.000 0.692 CB 0.764 14 residues pruned to eliminate duplicates Z: 13 8.429 1.376 0.644 0.781 1.000 0.833 CB 0.840 13 residues pruned to eliminate duplicates Z: 38 21.330 1.746 0.694 0.666 0.919 0.676 CB 1.106 38 residues pruned to eliminate duplicates Z: 14 8.414 1.453 0.543 0.926 0.923 0.923 CB 0.791 14 residues pruned to eliminate duplicates Z: 17 10.452 1.492 0.588 0.789 1.000 0.750 CB 0.856 17 residues pruned to eliminate duplicates Z: 38 22.101 1.754 0.782 0.662 0.919 0.676 CB 1.089 38 residues pruned to eliminate duplicates Z: 14 9.945 1.443 0.717 0.947 1.000 0.923 CB 0.769 14 residues pruned to eliminate duplicates Z: 17 8.419 1.451 0.442 0.764 0.938 0.750 CB 0.849 17 residues pruned to eliminate duplicates Z: 27 20.979 1.824 0.736 0.700 0.962 0.731 CB 1.127 27 residues pruned to eliminate duplicates Z: 38 21.412 1.755 0.678 0.659 0.946 0.649 CB 1.090 38 residues pruned to eliminate duplicates Z: 27 20.825 1.766 0.813 0.644 0.923 0.692 CB 1.208 27 residues pruned to eliminate duplicates Z: 38 23.552 1.753 0.809 0.679 0.973 0.676 CB 1.064 38 residues pruned to eliminate duplicates Z: 7 8.301 1.606 0.423 0.869 1.000 0.667 CB 1.083 Z: 6 8.923 1.639 0.926 0.843 1.000 0.800 CB 0.941 6 residues pruned to eliminate duplicates Z: 6 6.320 1.661 0.377 0.803 1.000 0.600 CB 0.949 6 residues pruned to eliminate duplicates Z: 23 24.775 2.084 1.060 0.622 0.909 0.773 CB 1.207 30 residues pruned to eliminate duplicates 309 residues left after pruning, divided into chains as follows: A: 272 B: 37 CC for partial structure against native data = 40.73 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.468, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.536, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.634, Connect. = 0.812 for dens.mod. cycle 3 = 0.300, Contrast = 0.639, Connect. = 0.815 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.818 for dens.mod. cycle 5 = 0.300, Contrast = 0.650, Connect. = 0.821 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.822 for dens.mod. cycle 7 = 0.300, Contrast = 0.656, Connect. = 0.824 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.825 for dens.mod. cycle 9 = 0.300, Contrast = 0.658, Connect. = 0.825 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2750 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 551 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 71.016 2.461 1.034 0.947 1.000 0.923 CB 1.923 B: 27 61.430 2.372 0.961 0.917 1.000 0.846 C 1.828 C: 20 24.182 2.163 1.085 0.482 0.842 0.526 CB 1.487 D: 26 68.964 2.444 1.056 0.943 1.000 0.880 C 1.903 27 residues pruned to eliminate duplicates E: 25 66.992 2.500 1.021 0.935 1.000 0.875 C 1.886 26 residues pruned to eliminate duplicates F: 25 69.110 2.487 0.961 0.936 1.000 0.958 CB 2.015 25 residues pruned to eliminate duplicates G: 27 67.961 2.354 1.184 0.926 1.000 0.769 CB 1.818 27 residues pruned to eliminate duplicates H: 27 72.874 2.489 1.123 0.948 0.962 0.846 CB 1.942 27 residues pruned to eliminate duplicates I: 16 28.449 2.216 0.258 0.939 1.000 0.867 C 1.832 J: 23 61.390 2.530 0.867 0.930 1.000 0.955 CB 1.938 23 residues pruned to eliminate duplicates K: 24 63.026 2.498 0.851 0.941 1.000 0.957 C 1.972 24 residues pruned to eliminate duplicates L: 27 58.374 2.477 0.733 0.947 0.962 0.923 CB 1.918 27 residues pruned to eliminate duplicates M: 15 21.954 2.341 1.171 0.432 0.786 0.500 CB 1.576 15 residues pruned to eliminate duplicates N: 25 70.762 2.494 1.141 0.953 1.000 0.917 C 1.862 25 residues pruned to eliminate duplicates O: 12 28.656 2.169 0.633 0.855 1.000 0.727 CA 1.801 P: 24 66.104 2.532 0.822 0.950 1.000 0.957 CB 2.061 24 residues pruned to eliminate duplicates Q: 29 53.333 2.372 0.776 0.893 0.929 0.857 CB 1.850 29 residues pruned to eliminate duplicates R: 25 80.719 2.609 1.087 0.955 1.000 0.917 C 2.080 26 residues pruned to eliminate duplicates S: 36 28.616 2.024 0.782 0.585 0.914 0.571 CB 1.352 13 residues pruned to eliminate duplicates T: 12 25.346 2.444 1.052 0.442 0.909 0.727 CA 1.780 12 residues pruned to eliminate duplicates U: 15 30.185 2.315 0.359 0.930 1.000 1.000 C 1.792 16 residues pruned to eliminate duplicates V: 13 18.811 2.351 0.813 0.327 0.833 0.333 CA 1.849 13 residues pruned to eliminate duplicates W: 24 72.262 2.503 1.153 0.945 1.000 0.913 C 1.935 24 residues pruned to eliminate duplicates X: 11 29.816 2.259 1.018 0.693 0.900 0.800 CA 1.927 11 residues pruned to eliminate duplicates Y: 28 72.136 2.438 1.150 0.931 0.963 0.926 CB 1.922 28 residues pruned to eliminate duplicates Z: 21 36.758 2.346 0.957 0.546 0.900 0.400 CA 1.901 Z: 39 52.071 2.299 1.024 0.618 0.895 0.579 CB 1.815 15 residues pruned to eliminate duplicates Z: 16 28.523 2.251 0.304 0.887 1.000 0.933 C 1.810 16 residues pruned to eliminate duplicates Z: 26 63.674 2.437 0.956 0.933 1.000 0.840 C 1.864 25 residues pruned to eliminate duplicates Z: 10 33.562 2.487 0.727 0.901 1.000 1.000 CA 1.859 12 residues pruned to eliminate duplicates Z: 9 32.490 2.541 0.624 0.894 1.000 1.000 CA 1.996 Z: 26 75.414 2.553 0.979 0.960 1.000 0.960 CB 2.045 26 residues pruned to eliminate duplicates Z: 27 59.910 2.490 0.746 0.948 0.962 0.923 CB 1.941 27 residues pruned to eliminate duplicates Z: 15 31.912 2.321 0.369 0.950 1.000 1.000 C 1.851 15 residues pruned to eliminate duplicates Z: 27 63.116 2.468 0.896 0.921 0.962 0.731 CB 1.936 27 residues pruned to eliminate duplicates Z: 109 75.704 2.300 1.021 0.550 0.907 0.639 CB 1.645 106 residues pruned to eliminate duplicates Z: 9 31.560 2.493 0.631 0.908 1.000 1.000 CA 1.949 9 residues pruned to eliminate duplicates Z: 11 31.218 2.293 0.608 0.877 1.000 0.900 N 1.945 10 residues pruned to eliminate duplicates Z: 12 31.222 2.198 0.967 0.828 0.909 0.818 CA 1.803 11 residues pruned to eliminate duplicates Z: 10 23.093 2.366 0.300 0.832 1.000 1.000 CB 1.879 9 residues pruned to eliminate duplicates Z: 25 69.009 2.495 1.129 0.943 1.000 0.792 C 1.838 25 residues pruned to eliminate duplicates Z: 28 58.771 2.403 0.926 0.883 0.963 0.852 CB 1.835 28 residues pruned to eliminate duplicates Z: 10 26.375 2.326 0.693 0.875 1.000 1.000 C 1.624 10 residues pruned to eliminate duplicates Z: 16 43.325 2.416 0.822 0.885 1.000 0.800 CB 1.834 Z: 33 65.851 2.483 1.190 0.667 0.938 0.594 CB 1.957 Z: 27 62.310 2.364 1.041 0.915 1.000 0.846 CB 1.790 27 residues pruned to eliminate duplicates Z: 15 36.169 2.308 0.624 0.934 1.000 0.929 C 1.798 15 residues pruned to eliminate duplicates Z: 60 75.050 2.459 0.890 0.665 0.966 0.729 CB 1.868 60 residues pruned to eliminate duplicates Z: 10 28.575 2.385 0.436 0.878 1.000 0.889 CB 2.019 10 residues pruned to eliminate duplicates Z: 33 60.593 2.335 1.006 0.740 1.000 0.812 C 1.844 28 residues pruned to eliminate duplicates Z: 17 24.548 2.098 0.388 0.835 0.938 0.938 C 1.685 17 residues pruned to eliminate duplicates Z: 27 56.449 2.469 0.763 0.929 0.962 0.885 CB 1.851 27 residues pruned to eliminate duplicates Z: 7 12.369 2.212 0.140 0.867 0.833 0.500 CA 1.757 7 residues pruned to eliminate duplicates Z: 15 49.070 2.461 0.996 0.926 1.000 0.929 CB 1.872 16 residues pruned to eliminate duplicates Z: 18 18.308 2.052 1.189 0.432 0.706 0.529 CB 1.503 18 residues pruned to eliminate duplicates Z: 7 15.588 2.143 0.376 0.815 1.000 0.500 CA 1.640 7 residues pruned to eliminate duplicates Z: 25 70.803 2.516 1.065 0.932 1.000 0.875 C 1.942 25 residues pruned to eliminate duplicates Z: 8 14.363 2.131 0.288 0.828 1.000 0.286 CA 1.490 8 residues pruned to eliminate duplicates Z: 26 68.684 2.472 1.165 0.924 0.960 0.880 C 1.878 26 residues pruned to eliminate duplicates Z: 24 78.057 2.504 1.461 0.942 1.000 0.870 C 1.832 24 residues pruned to eliminate duplicates Z: 27 77.358 2.493 1.095 0.946 1.000 0.923 C 2.009 26 residues pruned to eliminate duplicates Z: 11 24.254 2.381 1.256 0.495 0.800 0.600 CA 1.794 Z: 16 41.597 2.386 0.727 0.909 1.000 0.933 CB 1.850 16 residues pruned to eliminate duplicates Z: 22 57.645 2.529 0.903 0.927 0.952 0.952 CB 1.923 22 residues pruned to eliminate duplicates Z: 29 61.392 2.333 0.897 0.915 1.000 0.857 CB 1.852 29 residues pruned to eliminate duplicates Z: 14 28.018 2.322 1.106 0.507 0.846 0.615 CA 1.864 11 residues pruned to eliminate duplicates Z: 70 74.558 2.318 1.143 0.665 0.928 0.725 CB 1.673 70 residues pruned to eliminate duplicates Z: 11 22.106 2.391 1.090 0.519 0.800 0.800 CA 1.717 11 residues pruned to eliminate duplicates Z: 52 49.115 2.297 0.731 0.590 0.961 0.765 CB 1.653 12 residues pruned to eliminate duplicates Z: 10 25.629 2.351 0.481 0.840 1.000 0.889 CA 1.831 10 residues pruned to eliminate duplicates Z: 11 25.369 2.112 0.761 0.776 1.000 0.500 C 1.691 11 residues pruned to eliminate duplicates Z: 10 24.474 2.470 1.215 0.541 0.778 0.667 CB 1.842 10 residues pruned to eliminate duplicates Z: 78 60.846 2.351 0.793 0.606 0.909 0.688 CB 1.636 61 residues pruned to eliminate duplicates Z: 39 59.557 2.379 0.932 0.688 0.974 0.684 CB 1.818 39 residues pruned to eliminate duplicates Z: 25 72.191 2.517 1.192 0.943 1.000 0.917 C 1.852 25 residues pruned to eliminate duplicates Z: 26 80.007 2.576 1.149 0.959 0.960 0.920 C 2.064 26 residues pruned to eliminate duplicates Z: 27 68.352 2.401 1.254 0.919 0.962 0.885 C 1.815 27 residues pruned to eliminate duplicates Z: 16 37.407 2.322 0.675 0.898 1.000 0.800 CB 1.775 15 residues pruned to eliminate duplicates Z: 37 28.882 1.843 0.805 0.699 1.000 0.722 CB 1.207 23 residues pruned to eliminate duplicates Z: 27 70.607 2.362 1.273 0.928 1.000 0.846 C 1.806 27 residues pruned to eliminate duplicates Z: 28 62.370 2.413 0.850 0.928 1.000 0.926 CB 1.883 28 residues pruned to eliminate duplicates Z: 48 61.381 2.453 1.046 0.583 0.872 0.702 CB 1.888 48 residues pruned to eliminate duplicates Z: 8 16.482 2.141 0.392 0.860 1.000 0.714 CA 1.537 8 residues pruned to eliminate duplicates Z: 15 31.222 2.438 0.364 0.934 1.000 1.000 CB 1.750 15 residues pruned to eliminate duplicates Z: 28 71.622 2.440 1.008 0.944 1.000 0.889 CB 1.948 28 residues pruned to eliminate duplicates Z: 27 72.500 2.471 1.067 0.949 1.000 0.846 CB 1.922 27 residues pruned to eliminate duplicates Z: 17 32.626 2.306 0.473 0.857 1.000 0.938 CB 1.769 17 residues pruned to eliminate duplicates Z: 54 47.196 2.244 0.603 0.565 0.962 0.623 CB 1.758 54 residues pruned to eliminate duplicates Z: 50 53.719 2.360 0.760 0.622 0.959 0.776 CB 1.716 52 residues pruned to eliminate duplicates Z: 43 48.691 2.316 0.610 0.673 0.976 0.786 CB 1.760 33 residues pruned to eliminate duplicates Z: 14 18.835 2.171 0.973 0.610 0.846 0.846 CB 1.299 14 residues pruned to eliminate duplicates Z: 17 28.731 2.296 0.306 0.902 1.000 0.938 CA 1.709 17 residues pruned to eliminate duplicates Z: 24 65.423 2.464 1.069 0.925 0.957 0.826 CB 1.964 24 residues pruned to eliminate duplicates Z: 15 36.117 2.490 0.472 0.918 1.000 1.000 CB 1.858 15 residues pruned to eliminate duplicates Z: 26 71.939 2.466 1.103 0.952 1.000 0.800 C 1.910 26 residues pruned to eliminate duplicates Z: 15 28.458 2.437 0.250 0.898 1.000 0.929 CB 1.785 15 residues pruned to eliminate duplicates Z: 27 74.435 2.489 1.167 0.950 0.962 0.923 CB 1.941 27 residues pruned to eliminate duplicates Z: 10 36.294 2.286 1.086 0.906 1.000 0.889 C 1.804 10 residues pruned to eliminate duplicates Z: 17 38.490 2.312 0.792 0.872 1.000 0.875 CA 1.693 17 residues pruned to eliminate duplicates Z: 27 67.959 2.387 1.157 0.917 1.000 0.769 C 1.827 27 residues pruned to eliminate duplicates Z: 17 33.198 2.234 0.593 0.842 1.000 0.750 CB 1.738 17 residues pruned to eliminate duplicates Z: 28 67.816 2.435 0.970 0.933 1.000 0.889 CB 1.899 28 residues pruned to eliminate duplicates Z: 16 43.569 2.379 0.869 0.882 1.000 0.800 CB 1.831 16 residues pruned to eliminate duplicates Z: 32 26.641 1.861 0.738 0.710 0.968 0.742 CB 1.264 32 residues pruned to eliminate duplicates Z: 153 90.653 2.244 0.863 0.626 0.961 0.691 CB 1.627 153 residues pruned to eliminate duplicates Z: 16 29.827 2.380 0.408 0.869 1.000 0.933 CB 1.678 16 residues pruned to eliminate duplicates Z: 22 27.821 2.310 0.784 0.439 0.857 0.381 CA 1.831 22 residues pruned to eliminate duplicates Z: 26 63.927 2.386 1.125 0.938 1.000 0.920 C 1.753 26 residues pruned to eliminate duplicates Z: 49 59.660 2.379 0.811 0.646 0.979 0.750 CB 1.780 50 residues pruned to eliminate duplicates Z: 109 90.119 2.343 0.914 0.665 0.972 0.750 CB 1.707 109 residues pruned to eliminate duplicates Z: 24 67.592 2.484 1.153 0.939 1.000 0.913 C 1.831 24 residues pruned to eliminate duplicates Z: 11 25.442 2.473 1.210 0.503 0.800 0.600 CB 1.835 11 residues pruned to eliminate duplicates Z: 55 64.502 2.381 0.905 0.619 0.944 0.685 CB 1.831 55 residues pruned to eliminate duplicates Z: 17 34.917 2.292 0.773 0.823 0.938 0.750 C 1.733 17 residues pruned to eliminate duplicates Z: 17 25.632 2.318 0.312 0.838 0.938 0.875 CB 1.680 17 residues pruned to eliminate duplicates Z: 17 38.535 2.255 0.816 0.920 1.000 0.875 CB 1.656 17 residues pruned to eliminate duplicates Z: 25 73.659 2.525 1.211 0.932 1.000 0.875 C 1.880 25 residues pruned to eliminate duplicates Z: 25 69.639 2.596 0.815 0.953 1.000 0.958 CB 2.076 25 residues pruned to eliminate duplicates Z: 25 74.289 2.590 0.929 0.950 1.000 0.875 CB 2.094 25 residues pruned to eliminate duplicates Z: 15 34.689 2.349 0.474 0.938 1.000 1.000 C 1.862 15 residues pruned to eliminate duplicates Z: 15 30.024 2.454 0.270 0.926 1.000 0.857 CB 1.806 15 residues pruned to eliminate duplicates Z: 25 69.915 2.494 1.169 0.945 1.000 0.792 C 1.825 25 residues pruned to eliminate duplicates Z: 20 15.815 1.973 0.970 0.403 0.789 0.684 CB 1.309 20 residues pruned to eliminate duplicates Z: 42 59.133 2.365 0.851 0.686 0.976 0.756 CB 1.824 42 residues pruned to eliminate duplicates Z: 71 68.306 2.406 0.939 0.618 0.900 0.743 CB 1.740 44 residues pruned to eliminate duplicates Z: 38 64.052 2.405 1.068 0.669 0.946 0.703 CB 1.915 38 residues pruned to eliminate duplicates Z: 27 65.580 2.457 0.943 0.927 1.000 0.808 CB 1.888 27 residues pruned to eliminate duplicates Z: 17 34.717 2.192 0.932 0.837 0.938 0.750 C 1.635 17 residues pruned to eliminate duplicates Z: 16 32.801 2.234 0.474 0.928 1.000 0.933 C 1.801 16 residues pruned to eliminate duplicates Z: 27 72.425 2.368 1.233 0.933 1.000 0.846 C 1.874 27 residues pruned to eliminate duplicates Z: 18 18.562 2.109 0.573 0.461 0.882 0.471 CB 1.602 18 residues pruned to eliminate duplicates Z: 15 45.379 2.482 0.809 0.932 1.000 0.857 CB 1.887 15 residues pruned to eliminate duplicates Z: 19 24.532 2.123 0.898 0.598 0.889 0.722 CB 1.470 19 residues pruned to eliminate duplicates Z: 27 62.844 2.306 1.195 0.932 1.000 0.885 C 1.700 27 residues pruned to eliminate duplicates Z: 47 34.242 1.962 0.882 0.614 0.913 0.696 CB 1.344 47 residues pruned to eliminate duplicates Z: 8 21.442 2.182 0.857 0.750 1.000 0.429 CA 1.599 8 residues pruned to eliminate duplicates Z: 35 26.557 2.220 0.778 0.398 0.824 0.441 CB 1.561 35 residues pruned to eliminate duplicates Z: 83 65.877 2.402 1.013 0.551 0.841 0.610 CB 1.701 83 residues pruned to eliminate duplicates Z: 22 24.387 2.288 0.960 0.438 0.714 0.429 C 1.771 22 residues pruned to eliminate duplicates Z: 16 31.397 2.194 0.378 0.935 1.000 0.867 CB 1.869 16 residues pruned to eliminate duplicates Z: 28 74.268 2.449 1.089 0.927 1.000 0.852 CB 1.957 28 residues pruned to eliminate duplicates Z: 37 52.037 2.333 0.799 0.684 0.972 0.694 CB 1.796 37 residues pruned to eliminate duplicates Z: 10 31.994 2.352 0.743 0.891 1.000 1.000 CB 1.870 10 residues pruned to eliminate duplicates Z: 42 59.636 2.323 1.105 0.637 0.927 0.561 CB 1.808 42 residues pruned to eliminate duplicates Z: 16 31.685 2.340 0.434 0.883 1.000 0.800 CB 1.763 16 residues pruned to eliminate duplicates Z: 68 68.296 2.401 0.872 0.638 0.940 0.687 CB 1.734 68 residues pruned to eliminate duplicates Z: 27 68.672 2.472 0.964 0.936 1.000 0.885 CB 1.933 27 residues pruned to eliminate duplicates Z: 42 54.110 2.359 0.757 0.663 0.976 0.707 CB 1.797 42 residues pruned to eliminate duplicates Z: 13 16.285 2.166 1.056 0.413 0.750 0.667 CB 1.543 13 residues pruned to eliminate duplicates Z: 7 14.867 2.194 0.272 0.837 1.000 0.333 CA 1.626 7 residues pruned to eliminate duplicates Z: 16 45.167 2.410 0.918 0.864 1.000 0.800 CB 1.849 16 residues pruned to eliminate duplicates Z: 12 18.419 2.212 0.951 0.463 0.727 0.545 C 1.838 12 residues pruned to eliminate duplicates Z: 50 57.478 2.341 0.827 0.647 0.980 0.776 CB 1.709 50 residues pruned to eliminate duplicates Z: 127 92.858 2.350 0.842 0.635 0.968 0.746 CB 1.739 127 residues pruned to eliminate duplicates Z: 15 44.406 2.300 0.997 0.943 1.000 0.929 C 1.792 15 residues pruned to eliminate duplicates Z: 46 60.234 2.398 0.736 0.656 1.000 0.822 CB 1.866 46 residues pruned to eliminate duplicates Z: 70 72.045 2.265 1.089 0.620 1.000 0.725 CB 1.636 70 residues pruned to eliminate duplicates Z: 28 66.768 2.404 1.134 0.925 0.963 0.852 CB 1.825 28 residues pruned to eliminate duplicates Z: 50 44.642 2.279 0.765 0.543 0.898 0.673 CB 1.694 50 residues pruned to eliminate duplicates Z: 11 27.122 2.285 0.649 0.735 1.000 0.700 CA 1.844 11 residues pruned to eliminate duplicates Z: 28 20.747 2.211 0.709 0.359 0.852 0.444 CB 1.444 28 residues pruned to eliminate duplicates Z: 27 70.694 2.371 1.228 0.920 1.000 0.808 CB 1.849 27 residues pruned to eliminate duplicates Z: 11 28.280 2.381 1.157 0.569 1.000 0.800 CB 1.629 11 residues pruned to eliminate duplicates Z: 51 57.855 2.329 0.852 0.624 0.980 0.760 CB 1.722 51 residues pruned to eliminate duplicates Z: 43 73.477 2.429 1.123 0.766 0.929 0.786 CB 1.871 43 residues pruned to eliminate duplicates Z: 96 91.695 2.427 0.943 0.654 0.926 0.716 CB 1.867 96 residues pruned to eliminate duplicates Z: 14 41.762 2.387 0.744 0.948 1.000 0.846 C 1.921 14 residues pruned to eliminate duplicates Z: 63 58.958 2.390 0.825 0.590 0.903 0.710 CB 1.743 63 residues pruned to eliminate duplicates Z: 40 69.925 2.443 1.051 0.782 0.974 0.872 CB 1.789 40 residues pruned to eliminate duplicates Z: 15 36.014 2.281 0.598 0.931 1.000 0.786 C 1.846 15 residues pruned to eliminate duplicates Z: 49 74.102 2.479 1.062 0.689 0.938 0.688 CB 1.877 49 residues pruned to eliminate duplicates Z: 16 34.289 2.297 0.494 0.884 1.000 0.933 C 1.864 16 residues pruned to eliminate duplicates Z: 17 35.220 2.164 0.854 0.830 0.938 0.750 CA 1.760 17 residues pruned to eliminate duplicates Z: 17 26.413 2.188 0.509 0.803 0.875 0.750 C 1.754 17 residues pruned to eliminate duplicates Z: 73 62.925 2.271 0.991 0.619 0.875 0.583 CB 1.674 73 residues pruned to eliminate duplicates Z: 42 57.907 2.353 0.807 0.661 0.976 0.780 CB 1.877 42 residues pruned to eliminate duplicates Z: 34 33.802 2.131 1.106 0.523 0.970 0.636 CB 1.322 34 residues pruned to eliminate duplicates Z: 27 66.921 2.390 1.174 0.901 0.962 0.808 CB 1.875 27 residues pruned to eliminate duplicates Z: 38 66.231 2.414 1.128 0.710 0.946 0.676 CB 1.853 38 residues pruned to eliminate duplicates Z: 16 34.020 2.410 0.529 0.830 1.000 0.667 CB 1.793 16 residues pruned to eliminate duplicates Z: 59 63.221 2.403 1.014 0.626 0.879 0.707 CB 1.733 59 residues pruned to eliminate duplicates Z: 58 51.073 2.268 0.704 0.569 0.982 0.684 CB 1.667 59 residues pruned to eliminate duplicates Z: 27 65.122 2.332 1.175 0.917 1.000 0.769 C 1.777 27 residues pruned to eliminate duplicates Z: 27 54.050 2.468 0.567 0.946 1.000 0.962 CB 1.895 27 residues pruned to eliminate duplicates Z: 16 36.055 2.341 0.618 0.890 1.000 0.867 C 1.768 16 residues pruned to eliminate duplicates Z: 61 71.961 2.409 1.051 0.645 0.917 0.683 CB 1.792 61 residues pruned to eliminate duplicates Z: 21 20.915 2.043 0.901 0.623 0.900 0.700 CB 1.191 21 residues pruned to eliminate duplicates Z: 25 75.087 2.522 1.322 0.946 1.000 0.833 C 1.810 25 residues pruned to eliminate duplicates Z: 10 29.959 2.410 0.890 0.779 0.889 0.889 CA 1.930 10 residues pruned to eliminate duplicates Z: 16 41.812 2.394 0.771 0.882 1.000 0.667 CA 1.842 16 residues pruned to eliminate duplicates Z: 49 74.860 2.488 1.134 0.684 0.917 0.708 CB 1.875 85 residues pruned to eliminate duplicates Z: 9 36.874 2.557 0.853 0.887 1.000 0.875 C 1.983 9 residues pruned to eliminate duplicates Z: 10 16.882 1.993 0.658 0.690 1.000 0.778 CB 1.431 10 residues pruned to eliminate duplicates Z: 34 81.291 2.547 1.093 0.805 1.000 0.788 C 2.034 34 residues pruned to eliminate duplicates Z: 49 47.282 2.250 0.651 0.597 0.938 0.708 CB 1.785 49 residues pruned to eliminate duplicates Z: 23 26.972 2.137 0.900 0.436 0.909 0.636 CA 1.665 23 residues pruned to eliminate duplicates Z: 128 95.637 2.359 0.928 0.635 0.945 0.717 CB 1.740 128 residues pruned to eliminate duplicates Z: 90 74.947 2.387 0.736 0.636 0.944 0.730 CB 1.788 139 residues pruned to eliminate duplicates Z: 16 26.726 2.303 0.241 0.900 1.000 0.933 CB 1.725 Z: 18 28.256 2.313 0.854 0.530 0.882 0.706 CB 1.758 18 residues pruned to eliminate duplicates Z: 10 18.928 2.501 0.798 0.449 0.778 0.556 CA 1.901 10 residues pruned to eliminate duplicates Z: 81 78.700 2.361 0.828 0.654 0.963 0.738 CB 1.834 96 residues pruned to eliminate duplicates Z: 25 19.853 1.940 0.706 0.438 0.917 0.583 CB 1.424 25 residues pruned to eliminate duplicates Z: 15 38.888 2.315 0.831 0.945 0.929 0.857 C 1.828 15 residues pruned to eliminate duplicates Z: 14 22.400 2.104 0.694 0.616 0.923 0.692 C 1.691 14 residues pruned to eliminate duplicates Z: 14 45.513 2.435 0.807 0.951 1.000 1.000 C 1.976 14 residues pruned to eliminate duplicates Z: 16 30.720 2.220 0.397 0.920 1.000 0.867 C 1.802 16 residues pruned to eliminate duplicates Z: 16 14.632 2.030 0.943 0.503 0.867 0.667 CB 1.102 16 residues pruned to eliminate duplicates Z: 17 31.676 2.301 0.463 0.865 1.000 0.875 CB 1.724 Z: 145 93.103 2.349 0.886 0.586 0.944 0.632 CB 1.707 145 residues pruned to eliminate duplicates Z: 125 101.468 2.390 0.959 0.630 0.976 0.702 CB 1.764 125 residues pruned to eliminate duplicates Z: 41 55.501 2.368 0.767 0.692 0.975 0.775 CB 1.805 41 residues pruned to eliminate duplicates Z: 18 27.410 2.124 0.804 0.626 0.941 0.588 CB 1.637 18 residues pruned to eliminate duplicates Z: 8 14.105 2.103 0.282 0.798 1.000 0.714 CA 1.524 8 residues pruned to eliminate duplicates Z: 26 69.101 2.507 1.023 0.949 0.960 0.840 C 1.959 26 residues pruned to eliminate duplicates Z: 124 98.138 2.386 0.961 0.625 0.959 0.724 CB 1.753 124 residues pruned to eliminate duplicates Z: 7 3.777 1.879 0.260 0.304 0.667 0.333 CA 1.214 7 residues pruned to eliminate duplicates Z: 64 73.390 2.376 1.109 0.624 0.905 0.619 CB 1.814 64 residues pruned to eliminate duplicates Z: 8 12.821 1.933 0.375 0.644 1.000 0.857 CA 1.595 8 residues pruned to eliminate duplicates Z: 6 8.676 1.718 0.589 0.577 1.000 0.600 CA 1.320 6 residues pruned to eliminate duplicates Z: 25 78.053 2.524 1.366 0.940 1.000 0.875 C 1.852 25 residues pruned to eliminate duplicates Z: 6 2.961 1.377 0.699 0.718 0.600 0.400 N 0.774 6 residues pruned to eliminate duplicates Z: 15 32.596 2.369 0.420 0.923 1.000 1.000 CB 1.819 16 residues pruned to eliminate duplicates Z: 41 60.829 2.376 0.893 0.689 0.950 0.725 CB 1.893 16 residues pruned to eliminate duplicates Z: 16 37.279 2.324 0.753 0.920 0.933 0.867 C 1.782 16 residues pruned to eliminate duplicates Z: 67 59.146 2.303 0.737 0.614 0.924 0.758 CB 1.768 70 residues pruned to eliminate duplicates Z: 12 5.775 1.827 0.130 0.258 0.909 0.545 CA 1.225 12 residues pruned to eliminate duplicates Z: 27 70.625 2.391 1.210 0.918 1.000 0.769 C 1.848 27 residues pruned to eliminate duplicates Z: 35 61.752 2.364 1.129 0.674 0.971 0.735 C 1.847 36 residues pruned to eliminate duplicates Z: 126 94.671 2.359 0.930 0.636 0.952 0.688 CB 1.720 126 residues pruned to eliminate duplicates Z: 39 56.900 2.434 0.711 0.703 1.000 0.789 CB 1.842 39 residues pruned to eliminate duplicates Z: 14 34.264 2.343 0.514 0.922 1.000 0.923 CB 1.884 14 residues pruned to eliminate duplicates Z: 42 62.352 2.334 1.043 0.646 0.976 0.707 CB 1.825 42 residues pruned to eliminate duplicates Z: 41 57.721 2.406 0.935 0.618 0.950 0.700 CB 1.846 41 residues pruned to eliminate duplicates Z: 26 80.474 2.517 1.294 0.958 0.960 0.840 C 1.990 26 residues pruned to eliminate duplicates Z: 41 55.064 2.388 0.739 0.692 0.975 0.775 CB 1.803 41 residues pruned to eliminate duplicates Z: 6 5.388 1.700 0.326 0.633 0.800 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 37 62.867 2.438 0.943 0.667 0.972 0.750 C 1.950 37 residues pruned to eliminate duplicates Z: 25 72.337 2.517 1.264 0.942 0.958 0.917 C 1.876 25 residues pruned to eliminate duplicates Z: 46 74.301 2.389 1.085 0.758 0.978 0.822 CB 1.808 46 residues pruned to eliminate duplicates Z: 7 17.051 2.177 0.437 0.888 1.000 0.833 CA 1.603 7 residues pruned to eliminate duplicates Z: 48 62.329 2.446 0.889 0.645 0.979 0.787 CB 1.756 48 residues pruned to eliminate duplicates Z: 9 34.717 2.583 0.668 0.895 1.000 1.000 CA 2.042 9 residues pruned to eliminate duplicates Z: 15 32.109 2.141 0.936 0.880 0.929 0.786 CB 1.616 15 residues pruned to eliminate duplicates Z: 7 15.289 2.244 0.161 0.888 1.000 0.500 CA 1.726 7 residues pruned to eliminate duplicates Z: 17 43.448 2.290 0.927 0.893 1.000 0.875 CA 1.767 17 residues pruned to eliminate duplicates Z: 16 28.997 2.235 0.499 0.888 0.867 0.800 CA 1.857 16 residues pruned to eliminate duplicates Z: 7 15.209 1.801 0.916 0.886 1.000 0.667 C 1.298 7 residues pruned to eliminate duplicates Z: 36 21.851 2.195 0.688 0.335 0.829 0.429 CB 1.441 36 residues pruned to eliminate duplicates Z: 15 44.508 2.367 0.996 0.916 0.929 0.857 C 1.915 15 residues pruned to eliminate duplicates Z: 16 39.940 2.175 0.988 0.948 1.000 0.933 C 1.648 16 residues pruned to eliminate duplicates Z: 26 87.600 2.523 1.406 0.969 1.000 0.880 C 1.965 26 residues pruned to eliminate duplicates Z: 85 76.026 2.402 0.960 0.595 0.952 0.667 CB 1.690 85 residues pruned to eliminate duplicates Z: 93 69.332 2.274 1.052 0.560 0.891 0.674 CB 1.639 93 residues pruned to eliminate duplicates Z: 43 73.108 2.431 1.016 0.746 1.000 0.810 CB 1.847 43 residues pruned to eliminate duplicates Z: 37 59.338 2.379 0.890 0.734 0.972 0.833 CB 1.834 36 residues pruned to eliminate duplicates Z: 25 66.083 2.482 0.898 0.956 1.000 0.958 C 1.967 25 residues pruned to eliminate duplicates Z: 96 92.452 2.423 0.948 0.641 0.958 0.674 CB 1.838 96 residues pruned to eliminate duplicates Z: 41 64.881 2.438 1.051 0.702 0.950 0.700 CB 1.798 41 residues pruned to eliminate duplicates Z: 27 67.686 2.393 1.140 0.931 1.000 0.731 C 1.811 27 residues pruned to eliminate duplicates Z: 22 23.150 1.912 1.021 0.469 0.952 0.619 CB 1.417 22 residues pruned to eliminate duplicates Z: 69 61.613 2.404 0.817 0.619 0.882 0.706 CB 1.732 69 residues pruned to eliminate duplicates Z: 7 16.081 2.238 0.830 0.767 0.833 0.500 CA 1.517 7 residues pruned to eliminate duplicates Z: 15 27.666 2.315 0.313 0.872 0.929 0.929 C 1.909 15 residues pruned to eliminate duplicates Z: 25 75.122 2.511 1.292 0.952 1.000 0.875 C 1.835 25 residues pruned to eliminate duplicates Z: 124 87.253 2.336 0.845 0.635 0.951 0.724 CB 1.692 124 residues pruned to eliminate duplicates Z: 106 88.033 2.354 0.949 0.661 0.943 0.733 CB 1.711 106 residues pruned to eliminate duplicates Z: 109 84.384 2.330 0.840 0.658 0.954 0.769 CB 1.715 109 residues pruned to eliminate duplicates Z: 13 29.696 2.327 0.381 0.931 1.000 1.000 C 1.864 13 residues pruned to eliminate duplicates Z: 73 77.590 2.379 1.077 0.652 0.931 0.667 CB 1.726 73 residues pruned to eliminate duplicates Z: 68 67.890 2.402 0.904 0.619 0.925 0.657 CB 1.751 68 residues pruned to eliminate duplicates Z: 40 35.057 2.234 0.813 0.423 0.897 0.513 CB 1.673 40 residues pruned to eliminate duplicates Z: 11 25.642 2.300 0.627 0.819 0.900 0.900 CA 1.825 11 residues pruned to eliminate duplicates Z: 9 23.530 2.349 0.789 0.798 0.750 0.625 CA 2.033 9 residues pruned to eliminate duplicates Z: 18 14.574 2.065 0.413 0.436 0.882 0.647 CB 1.466 18 residues pruned to eliminate duplicates Z: 14 29.652 2.345 0.508 0.913 0.923 0.769 CB 1.783 14 residues pruned to eliminate duplicates Z: 27 63.756 2.384 0.994 0.921 1.000 0.846 C 1.851 27 residues pruned to eliminate duplicates Z: 9 27.303 2.310 0.783 0.788 1.000 1.000 C 1.821 9 residues pruned to eliminate duplicates Z: 13 17.734 1.954 0.533 0.573 0.917 0.667 CB 1.737 13 residues pruned to eliminate duplicates Z: 14 16.911 2.025 0.609 0.566 0.923 0.615 CB 1.463 14 residues pruned to eliminate duplicates Z: 58 71.886 2.459 0.951 0.621 0.947 0.649 CB 1.869 58 residues pruned to eliminate duplicates Z: 63 83.841 2.472 1.193 0.663 0.903 0.661 CB 1.871 63 residues pruned to eliminate duplicates Z: 26 67.844 2.344 1.331 0.900 0.960 0.840 C 1.848 26 residues pruned to eliminate duplicates Z: 125 95.779 2.367 0.932 0.641 0.944 0.685 CB 1.747 125 residues pruned to eliminate duplicates Z: 17 7.320 1.560 0.181 0.662 0.938 0.812 CB 0.912 Z: 15 36.527 2.354 0.508 0.942 1.000 1.000 C 1.907 15 residues pruned to eliminate duplicates Z: 72 73.470 2.357 1.049 0.572 0.915 0.592 CB 1.840 72 residues pruned to eliminate duplicates Z: 26 73.688 2.510 1.023 0.943 1.000 0.920 CB 2.012 26 residues pruned to eliminate duplicates Z: 68 62.639 2.339 0.866 0.617 0.925 0.627 CB 1.697 68 residues pruned to eliminate duplicates Z: 51 48.870 2.284 0.737 0.587 0.940 0.760 CB 1.704 51 residues pruned to eliminate duplicates Z: 33 60.556 2.424 1.036 0.708 0.969 0.719 CB 1.853 33 residues pruned to eliminate duplicates Z: 36 20.937 2.282 0.574 0.324 0.800 0.429 CB 1.494 36 residues pruned to eliminate duplicates Z: 62 65.524 2.254 1.095 0.667 0.934 0.754 CB 1.629 62 residues pruned to eliminate duplicates Z: 21 36.516 2.269 0.654 0.665 1.000 0.850 CB 1.867 21 residues pruned to eliminate duplicates Z: 41 59.388 2.408 0.862 0.667 0.975 0.775 CB 1.841 41 residues pruned to eliminate duplicates Z: 10 10.590 2.045 0.598 0.396 0.778 0.444 C 1.551 10 residues pruned to eliminate duplicates Z: 48 60.497 2.320 0.831 0.666 1.000 0.766 CB 1.781 48 residues pruned to eliminate duplicates Z: 18 22.196 2.248 0.620 0.441 0.941 0.882 CB 1.669 18 residues pruned to eliminate duplicates Z: 26 72.159 2.421 1.200 0.951 1.000 0.800 C 1.868 26 residues pruned to eliminate duplicates Z: 53 57.072 2.269 0.881 0.625 0.981 0.808 CB 1.682 53 residues pruned to eliminate duplicates Z: 35 45.745 2.272 0.761 0.632 1.000 0.794 CB 1.732 35 residues pruned to eliminate duplicates Z: 16 31.530 2.274 1.024 0.702 0.933 0.733 C 1.576 16 residues pruned to eliminate duplicates Z: 28 65.228 2.288 1.265 0.893 1.000 0.778 CB 1.740 28 residues pruned to eliminate duplicates Z: 38 25.029 1.832 0.750 0.690 0.973 0.757 CB 1.109 55 residues pruned to eliminate duplicates Z: 65 61.567 2.371 0.880 0.601 0.906 0.688 CB 1.730 65 residues pruned to eliminate duplicates Z: 7 3.111 1.445 0.446 0.517 0.667 0.333 CB 0.897 7 residues pruned to eliminate duplicates Z: 51 55.040 2.227 1.082 0.602 0.920 0.640 CB 1.655 51 residues pruned to eliminate duplicates Z: 12 12.236 2.249 0.611 0.249 0.909 0.182 CB 1.496 12 residues pruned to eliminate duplicates Z: 17 24.153 2.229 0.397 0.832 0.938 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 125 96.291 2.378 0.914 0.625 0.968 0.742 CB 1.745 125 residues pruned to eliminate duplicates Z: 44 47.997 2.341 0.573 0.649 0.953 0.721 CB 1.814 44 residues pruned to eliminate duplicates Z: 52 67.866 2.440 1.070 0.662 0.863 0.627 CB 1.877 52 residues pruned to eliminate duplicates Z: 25 73.262 2.514 1.213 0.949 1.000 0.833 C 1.855 25 residues pruned to eliminate duplicates Z: 42 80.187 2.452 1.143 0.762 1.000 0.805 CB 1.889 42 residues pruned to eliminate duplicates Z: 42 45.679 2.356 0.593 0.634 0.951 0.756 CB 1.761 42 residues pruned to eliminate duplicates Z: 16 15.854 2.174 0.711 0.324 0.800 0.400 CB 1.671 16 residues pruned to eliminate duplicates Z: 21 10.577 1.588 0.295 0.718 1.000 0.850 CB 0.944 Z: 7 9.849 2.139 0.256 0.742 0.833 0.500 CA 1.445 7 residues pruned to eliminate duplicates Z: 42 31.401 2.245 0.798 0.386 0.829 0.390 CB 1.654 42 residues pruned to eliminate duplicates Z: 59 54.787 2.283 0.712 0.599 0.983 0.707 CB 1.705 59 residues pruned to eliminate duplicates Z: 25 62.394 2.436 0.949 0.943 0.958 0.917 C 1.940 25 residues pruned to eliminate duplicates Z: 26 22.718 2.156 0.801 0.370 0.800 0.360 CB 1.682 26 residues pruned to eliminate duplicates Z: 38 23.757 1.788 0.747 0.665 0.946 0.649 CB 1.134 59 residues pruned to eliminate duplicates Z: 67 67.008 2.367 0.963 0.624 0.924 0.697 CB 1.709 67 residues pruned to eliminate duplicates Z: 22 27.795 2.282 0.621 0.590 0.952 0.714 CB 1.580 22 residues pruned to eliminate duplicates Z: 8 12.097 1.596 0.882 0.855 1.000 1.000 C 1.124 8 residues pruned to eliminate duplicates Z: 37 22.100 1.809 0.490 0.688 1.000 0.611 CB 1.151 37 residues pruned to eliminate duplicates Z: 10 34.762 2.403 0.755 0.900 1.000 0.667 CB 1.962 10 residues pruned to eliminate duplicates Z: 46 61.347 2.426 0.741 0.693 0.978 0.822 CB 1.856 46 residues pruned to eliminate duplicates Z: 31 43.758 2.319 0.687 0.658 0.967 0.833 CB 1.825 31 residues pruned to eliminate duplicates Z: 42 44.337 2.326 0.565 0.620 0.927 0.707 CB 1.832 42 residues pruned to eliminate duplicates Z: 13 22.086 1.920 0.803 0.712 1.000 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 10 10.386 2.061 0.713 0.537 0.889 0.889 CB 1.064 10 residues pruned to eliminate duplicates Z: 17 28.147 2.280 0.346 0.915 1.000 1.000 CB 1.620 17 residues pruned to eliminate duplicates Z: 21 53.062 2.305 1.212 0.905 0.950 0.700 CB 1.744 21 residues pruned to eliminate duplicates Z: 58 71.042 2.389 1.019 0.668 0.947 0.684 CB 1.762 58 residues pruned to eliminate duplicates Z: 27 75.953 2.356 1.441 0.939 1.000 0.769 C 1.800 27 residues pruned to eliminate duplicates Z: 104 87.248 2.319 0.961 0.638 0.951 0.728 CB 1.745 104 residues pruned to eliminate duplicates Z: 17 25.734 2.251 0.306 0.897 1.000 0.938 CB 1.566 17 residues pruned to eliminate duplicates Z: 48 69.336 2.325 1.126 0.734 0.957 0.681 CB 1.731 48 residues pruned to eliminate duplicates Z: 24 75.784 2.539 1.310 0.959 1.000 0.783 C 1.846 24 residues pruned to eliminate duplicates Z: 22 30.467 2.109 0.911 0.670 0.905 0.762 CB 1.558 22 residues pruned to eliminate duplicates Z: 84 60.673 2.241 0.730 0.578 0.976 0.687 CB 1.632 84 residues pruned to eliminate duplicates Z: 89 68.738 2.261 0.941 0.597 0.943 0.602 CB 1.614 89 residues pruned to eliminate duplicates Z: 25 62.847 2.532 0.697 0.951 1.000 0.917 C 2.058 25 residues pruned to eliminate duplicates Z: 32 45.711 2.545 0.813 0.526 0.871 0.484 CB 1.991 32 residues pruned to eliminate duplicates Z: 12 14.091 2.198 0.503 0.541 0.818 0.545 C 1.510 12 residues pruned to eliminate duplicates Z: 37 61.358 2.308 1.095 0.710 0.972 0.833 CB 1.799 37 residues pruned to eliminate duplicates Z: 38 50.684 2.265 0.851 0.647 0.973 0.622 CB 1.781 38 residues pruned to eliminate duplicates Z: 8 10.373 1.724 0.425 0.867 0.857 0.857 CB 1.362 8 residues pruned to eliminate duplicates Z: 26 14.358 2.124 0.425 0.301 0.840 0.400 CB 1.410 26 residues pruned to eliminate duplicates Z: 31 47.413 2.342 0.754 0.672 0.967 0.867 CB 1.860 31 residues pruned to eliminate duplicates Z: 27 62.556 2.390 1.023 0.938 0.962 0.808 C 1.834 27 residues pruned to eliminate duplicates Z: 7 8.828 1.914 0.236 0.819 1.000 0.833 CB 1.155 7 residues pruned to eliminate duplicates Z: 32 59.281 2.442 1.041 0.727 0.935 0.742 CB 1.861 32 residues pruned to eliminate duplicates Z: 26 22.893 1.974 0.917 0.464 0.880 0.520 CB 1.426 26 residues pruned to eliminate duplicates Z: 114 91.003 2.384 0.918 0.621 0.965 0.699 CB 1.731 114 residues pruned to eliminate duplicates Z: 30 37.432 2.448 0.685 0.499 0.897 0.552 CB 1.881 30 residues pruned to eliminate duplicates Z: 38 24.112 1.750 0.713 0.685 0.973 0.730 CB 1.148 38 residues pruned to eliminate duplicates Z: 89 78.284 2.338 1.034 0.605 0.955 0.682 CB 1.664 89 residues pruned to eliminate duplicates Z: 6 3.527 1.726 0.363 0.357 0.800 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 14 9.957 1.906 0.580 0.416 1.000 0.615 CB 1.001 14 residues pruned to eliminate duplicates Z: 17 26.562 1.886 0.879 0.838 0.938 0.750 CB 1.494 17 residues pruned to eliminate duplicates Z: 11 22.170 2.249 1.006 0.570 0.900 0.700 CB 1.613 11 residues pruned to eliminate duplicates Z: 12 6.380 1.323 0.229 0.854 1.000 0.818 CB 0.874 Z: 44 62.496 2.291 1.095 0.756 0.907 0.674 C 1.742 44 residues pruned to eliminate duplicates Z: 90 89.904 2.417 0.992 0.669 0.910 0.674 CB 1.861 32 residues pruned to eliminate duplicates Z: 14 28.390 2.480 0.209 0.937 1.000 1.000 CB 1.828 14 residues pruned to eliminate duplicates Z: 14 7.908 1.477 0.197 0.934 1.000 0.923 CB 0.865 11 residues pruned to eliminate duplicates Z: 25 15.526 1.863 0.522 0.387 0.917 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 51 52.046 2.333 0.644 0.642 0.960 0.740 CB 1.750 51 residues pruned to eliminate duplicates Z: 25 65.694 2.483 0.956 0.918 1.000 0.875 C 1.947 25 residues pruned to eliminate duplicates Z: 17 17.278 2.161 0.540 0.412 0.938 0.625 CB 1.518 17 residues pruned to eliminate duplicates Z: 7 9.245 1.794 0.746 0.688 1.000 1.000 CB 1.015 Z: 54 54.288 2.332 0.780 0.627 0.925 0.660 CB 1.724 54 residues pruned to eliminate duplicates Z: 11 14.350 1.891 0.548 0.677 1.000 0.900 CB 1.317 Z: 8 9.166 1.602 0.846 0.738 0.857 0.429 C 1.104 8 residues pruned to eliminate duplicates Z: 7 10.483 1.897 0.654 0.678 0.833 0.833 CB 1.389 18 residues pruned to eliminate duplicates Z: 27 63.185 2.345 1.013 0.914 1.000 0.923 CA 1.856 27 residues pruned to eliminate duplicates Z: 15 22.761 2.325 0.570 0.649 0.857 0.714 C 1.692 15 residues pruned to eliminate duplicates Z: 27 38.017 2.454 0.920 0.447 0.885 0.615 CB 1.888 27 residues pruned to eliminate duplicates Z: 17 24.309 2.253 0.225 0.846 1.000 0.812 CB 1.635 17 residues pruned to eliminate duplicates Z: 6 14.043 1.911 1.336 0.796 1.000 0.800 CA 1.086 6 residues pruned to eliminate duplicates Z: 28 32.778 2.421 0.714 0.453 0.852 0.444 CB 1.871 28 residues pruned to eliminate duplicates Z: 107 93.275 2.330 0.961 0.686 0.972 0.802 CB 1.721 107 residues pruned to eliminate duplicates Z: 27 34.470 2.345 0.544 0.617 0.962 0.769 CB 1.739 27 residues pruned to eliminate duplicates Z: 11 9.133 1.811 0.628 0.562 0.900 0.600 CB 1.025 11 residues pruned to eliminate duplicates Z: 11 13.260 1.987 0.717 0.450 0.900 0.400 CB 1.438 11 residues pruned to eliminate duplicates Z: 15 20.969 2.051 0.658 0.650 0.929 0.714 CA 1.544 15 residues pruned to eliminate duplicates Z: 50 49.418 2.322 0.727 0.617 0.959 0.735 CB 1.644 50 residues pruned to eliminate duplicates Z: 27 59.700 2.443 0.843 0.925 1.000 0.808 CB 1.825 27 residues pruned to eliminate duplicates Z: 13 26.520 2.324 0.810 0.683 0.833 0.750 CA 1.846 13 residues pruned to eliminate duplicates Z: 16 22.981 2.033 0.856 0.599 0.933 0.667 CB 1.533 16 residues pruned to eliminate duplicates Z: 39 34.522 2.099 0.723 0.542 0.921 0.684 CB 1.613 39 residues pruned to eliminate duplicates Z: 8 6.342 1.618 0.791 0.482 0.714 0.429 C 1.180 8 residues pruned to eliminate duplicates Z: 36 55.428 2.329 1.006 0.654 0.914 0.657 CB 1.899 36 residues pruned to eliminate duplicates Z: 26 24.745 2.098 0.709 0.496 0.920 0.720 CB 1.507 26 residues pruned to eliminate duplicates Z: 21 37.928 2.288 0.905 0.630 0.950 0.700 CA 1.813 21 residues pruned to eliminate duplicates Z: 38 67.609 2.347 1.173 0.691 1.000 0.784 C 1.830 38 residues pruned to eliminate duplicates Z: 8 5.687 1.329 0.157 0.882 1.000 1.000 C 1.011 8 residues pruned to eliminate duplicates Z: 34 51.889 2.267 0.975 0.665 1.000 0.818 CB 1.732 34 residues pruned to eliminate duplicates Z: 41 46.754 2.290 0.775 0.603 0.950 0.625 CB 1.735 41 residues pruned to eliminate duplicates Z: 31 54.110 2.421 0.999 0.705 0.933 0.733 CB 1.814 31 residues pruned to eliminate duplicates Z: 15 28.221 2.161 0.559 0.855 1.000 0.857 CB 1.652 15 residues pruned to eliminate duplicates Z: 49 71.869 2.388 1.110 0.734 0.958 0.812 CB 1.741 49 residues pruned to eliminate duplicates Z: 31 27.561 2.012 0.642 0.586 0.967 0.733 CB 1.452 31 residues pruned to eliminate duplicates Z: 14 16.105 2.110 0.768 0.450 0.769 0.538 CB 1.638 14 residues pruned to eliminate duplicates Z: 20 19.984 1.885 1.102 0.472 0.842 0.632 CB 1.414 20 residues pruned to eliminate duplicates Z: 7 3.147 1.484 -0.013 0.305 1.000 0.333 CB 1.089 7 residues pruned to eliminate duplicates Z: 15 42.708 2.260 1.113 0.950 0.929 0.929 C 1.776 15 residues pruned to eliminate duplicates Z: 8 12.732 1.727 0.729 0.788 1.000 0.714 CB 1.251 6 residues pruned to eliminate duplicates Z: 37 52.341 2.342 0.664 0.759 1.000 0.833 CB 1.778 37 residues pruned to eliminate duplicates Z: 15 9.370 1.455 0.403 0.929 1.000 0.929 CB 0.859 15 residues pruned to eliminate duplicates Z: 54 50.983 2.345 1.027 0.572 0.868 0.660 CB 1.584 54 residues pruned to eliminate duplicates Z: 62 69.647 2.363 1.010 0.645 0.934 0.721 CB 1.754 62 residues pruned to eliminate duplicates Z: 15 19.901 2.225 0.673 0.516 0.929 0.714 CB 1.514 15 residues pruned to eliminate duplicates Z: 58 59.463 2.297 1.064 0.600 0.912 0.632 CB 1.655 58 residues pruned to eliminate duplicates Z: 20 14.606 2.113 0.277 0.346 0.895 0.316 CB 1.642 20 residues pruned to eliminate duplicates Z: 28 36.042 2.356 0.541 0.632 0.926 0.852 CB 1.822 28 residues pruned to eliminate duplicates Z: 33 22.333 2.149 0.483 0.400 0.875 0.406 CB 1.573 33 residues pruned to eliminate duplicates Z: 76 65.471 2.337 0.866 0.611 0.947 0.707 CB 1.648 76 residues pruned to eliminate duplicates Z: 15 16.893 2.254 0.784 0.332 0.857 0.500 CB 1.574 15 residues pruned to eliminate duplicates Z: 15 20.761 2.326 0.127 0.845 0.929 0.857 CB 1.695 15 residues pruned to eliminate duplicates Z: 15 26.863 2.306 0.269 0.905 1.000 1.000 CB 1.746 15 residues pruned to eliminate duplicates Z: 80 61.489 2.272 0.771 0.584 0.975 0.759 CB 1.628 80 residues pruned to eliminate duplicates Z: 66 70.812 2.380 1.047 0.588 0.938 0.600 CB 1.766 65 residues pruned to eliminate duplicates Z: 6 9.299 1.915 0.539 0.562 0.800 0.800 C 1.662 Z: 7 9.523 1.685 0.311 0.854 1.000 0.500 CB 1.300 7 residues pruned to eliminate duplicates Z: 43 54.773 2.371 0.699 0.655 0.976 0.786 CB 1.861 49 residues pruned to eliminate duplicates Z: 65 62.905 2.388 0.911 0.622 0.906 0.766 CB 1.694 65 residues pruned to eliminate duplicates Z: 22 50.982 2.308 1.100 0.909 0.952 0.810 C 1.710 22 residues pruned to eliminate duplicates Z: 25 50.641 2.471 1.162 0.632 0.958 0.667 CB 1.783 25 residues pruned to eliminate duplicates Z: 15 18.982 2.039 0.726 0.594 1.000 0.714 CB 1.318 15 residues pruned to eliminate duplicates Z: 27 30.225 2.299 0.800 0.397 0.885 0.538 CB 1.805 27 residues pruned to eliminate duplicates Z: 11 16.239 1.907 0.415 0.866 1.000 0.600 CA 1.393 11 residues pruned to eliminate duplicates Z: 17 22.537 2.083 0.763 0.545 0.938 0.562 CA 1.565 17 residues pruned to eliminate duplicates Z: 27 36.516 2.155 0.787 0.633 1.000 0.769 CB 1.641 27 residues pruned to eliminate duplicates Z: 34 28.019 2.042 0.929 0.544 0.939 0.697 CB 1.262 34 residues pruned to eliminate duplicates Z: 6 4.034 1.620 0.799 0.326 0.800 0.600 CA 0.936 Z: 13 4.345 1.526 0.547 0.299 0.667 0.500 CB 0.997 13 residues pruned to eliminate duplicates Z: 40 72.130 2.381 1.192 0.795 0.949 0.821 C 1.802 40 residues pruned to eliminate duplicates Z: 9 9.200 1.691 0.652 0.470 0.875 0.250 C 1.372 15 residues pruned to eliminate duplicates Z: 15 24.048 2.219 0.561 0.607 1.000 0.643 CB 1.676 15 residues pruned to eliminate duplicates Z: 35 77.453 2.466 1.096 0.805 1.000 0.765 CB 1.970 35 residues pruned to eliminate duplicates Z: 6 4.891 1.581 0.330 0.761 0.800 0.800 CA 1.031 Z: 11 10.758 1.622 0.987 0.740 1.000 0.700 CB 0.851 Using tripeptides from previous cycle as seeds Z: 7 5.784 1.971 1.160 0.265 0.667 0.500 CA 1.088 7 residues pruned to eliminate duplicates Z: 18 28.137 2.277 0.992 0.425 0.882 0.588 CB 1.844 18 residues pruned to eliminate duplicates Z: 40 39.747 2.319 0.859 0.413 0.897 0.462 CB 1.802 21 residues pruned to eliminate duplicates Z: 7 4.842 1.687 0.497 0.298 0.833 0.333 CA 1.177 7 residues pruned to eliminate duplicates Z: 13 22.193 2.387 0.758 0.406 0.917 0.667 CA 1.838 13 residues pruned to eliminate duplicates Z: 38 36.481 2.286 0.819 0.414 0.892 0.514 CB 1.770 38 residues pruned to eliminate duplicates Z: 80 73.283 2.390 1.010 0.590 0.911 0.696 CB 1.728 80 residues pruned to eliminate duplicates Z: 143 92.468 2.355 0.887 0.599 0.923 0.697 CB 1.722 143 residues pruned to eliminate duplicates Z: 33 31.633 2.152 0.990 0.421 0.906 0.531 CB 1.565 33 residues pruned to eliminate duplicates Z: 103 67.484 2.246 0.941 0.538 0.931 0.569 CB 1.585 103 residues pruned to eliminate duplicates Z: 33 32.333 2.169 0.886 0.442 0.906 0.469 CB 1.636 33 residues pruned to eliminate duplicates Z: 145 91.720 2.323 0.865 0.577 0.958 0.688 CB 1.709 145 residues pruned to eliminate duplicates Z: 146 89.751 2.342 0.870 0.574 0.931 0.662 CB 1.702 146 residues pruned to eliminate duplicates Z: 109 73.666 2.296 0.934 0.527 0.935 0.639 CB 1.661 109 residues pruned to eliminate duplicates Z: 20 19.916 2.160 0.917 0.348 0.895 0.632 CB 1.454 20 residues pruned to eliminate duplicates Z: 80 66.305 2.363 0.859 0.537 0.924 0.595 CB 1.773 80 residues pruned to eliminate duplicates Z: 26 25.509 2.227 0.712 0.398 0.880 0.440 CB 1.694 26 residues pruned to eliminate duplicates Z: 9 4.464 1.706 0.301 0.336 0.750 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 59 59.976 2.373 0.858 0.585 0.897 0.672 CB 1.836 59 residues pruned to eliminate duplicates Z: 90 74.093 2.332 0.995 0.584 0.933 0.652 CB 1.670 90 residues pruned to eliminate duplicates Z: 125 95.720 2.388 0.903 0.630 0.952 0.718 CB 1.759 125 residues pruned to eliminate duplicates Z: 22 32.583 2.350 0.960 0.423 0.905 0.429 CB 1.848 22 residues pruned to eliminate duplicates Z: 39 32.876 2.278 0.748 0.419 0.816 0.474 CB 1.786 39 residues pruned to eliminate duplicates Z: 63 72.085 2.403 0.955 0.640 0.935 0.742 CB 1.828 63 residues pruned to eliminate duplicates Z: 128 93.979 2.371 0.880 0.603 0.969 0.724 CB 1.751 128 residues pruned to eliminate duplicates Z: 13 19.324 2.515 0.880 0.245 0.833 0.083 C 1.901 13 residues pruned to eliminate duplicates Z: 16 32.416 2.509 0.827 0.586 0.867 0.667 CA 1.940 16 residues pruned to eliminate duplicates Z: 89 77.435 2.355 1.031 0.596 0.932 0.693 CB 1.690 89 residues pruned to eliminate duplicates Z: 109 77.648 2.314 1.006 0.547 0.926 0.648 CB 1.660 109 residues pruned to eliminate duplicates Z: 126 93.670 2.378 0.913 0.621 0.944 0.680 CB 1.741 126 residues pruned to eliminate duplicates Z: 13 13.391 2.260 0.733 0.217 0.833 0.250 C 1.653 13 residues pruned to eliminate duplicates Z: 125 91.000 2.386 0.891 0.620 0.935 0.694 CB 1.728 125 residues pruned to eliminate duplicates Z: 124 96.935 2.391 0.907 0.630 0.959 0.715 CB 1.769 124 residues pruned to eliminate duplicates Z: 16 15.473 2.318 0.621 0.197 0.867 0.200 CB 1.760 16 residues pruned to eliminate duplicates Z: 66 69.634 2.381 1.017 0.604 0.923 0.692 CB 1.766 66 residues pruned to eliminate duplicates Z: 13 11.009 2.392 0.562 0.156 0.833 0.083 CB 1.556 13 residues pruned to eliminate duplicates Z: 51 63.034 2.389 0.983 0.629 0.920 0.680 CB 1.811 51 residues pruned to eliminate duplicates Z: 125 92.149 2.368 0.875 0.610 0.968 0.694 CB 1.735 125 residues pruned to eliminate duplicates Z: 80 68.116 2.338 0.936 0.598 0.924 0.658 CB 1.669 80 residues pruned to eliminate duplicates Z: 49 57.630 2.245 0.939 0.690 0.979 0.708 C 1.639 49 residues pruned to eliminate duplicates Z: 107 84.088 2.328 0.816 0.664 0.972 0.717 CB 1.709 107 residues pruned to eliminate duplicates Z: 125 92.854 2.375 0.922 0.629 0.919 0.685 CB 1.761 125 residues pruned to eliminate duplicates Z: 124 95.123 2.400 0.926 0.633 0.935 0.748 CB 1.752 124 residues pruned to eliminate duplicates Z: 66 70.867 2.361 1.006 0.639 0.923 0.646 CB 1.764 66 residues pruned to eliminate duplicates Z: 89 78.211 2.353 1.001 0.596 0.943 0.625 CB 1.713 89 residues pruned to eliminate duplicates Z: 60 79.250 2.425 1.164 0.651 0.932 0.746 CB 1.832 60 residues pruned to eliminate duplicates Z: 62 70.034 2.407 1.057 0.643 0.885 0.607 CB 1.790 62 residues pruned to eliminate duplicates Z: 123 98.254 2.404 0.912 0.633 0.959 0.697 CB 1.780 123 residues pruned to eliminate duplicates Z: 46 67.164 2.277 1.248 0.697 0.978 0.711 CB 1.671 46 residues pruned to eliminate duplicates Z: 106 93.125 2.363 0.934 0.670 0.981 0.762 CB 1.732 106 residues pruned to eliminate duplicates Z: 126 93.420 2.379 0.887 0.618 0.960 0.696 CB 1.734 126 residues pruned to eliminate duplicates Z: 125 92.463 2.374 0.914 0.625 0.935 0.694 CB 1.737 125 residues pruned to eliminate duplicates Z: 106 87.657 2.337 0.891 0.649 0.981 0.743 CB 1.716 106 residues pruned to eliminate duplicates Z: 131 90.359 2.340 0.858 0.609 0.954 0.677 CB 1.724 131 residues pruned to eliminate duplicates Z: 90 70.660 2.307 0.967 0.588 0.910 0.663 CB 1.667 90 residues pruned to eliminate duplicates Z: 126 92.884 2.360 0.908 0.627 0.944 0.672 CB 1.735 126 residues pruned to eliminate duplicates Z: 109 76.257 2.295 1.004 0.559 0.907 0.639 CB 1.661 109 residues pruned to eliminate duplicates Z: 62 67.050 2.287 1.101 0.641 0.967 0.721 CB 1.619 62 residues pruned to eliminate duplicates Z: 124 98.520 2.375 0.916 0.639 0.976 0.691 CB 1.756 124 residues pruned to eliminate duplicates Z: 62 78.207 2.417 1.066 0.667 0.934 0.639 CB 1.839 62 residues pruned to eliminate duplicates Z: 73 70.983 2.290 1.123 0.622 0.958 0.667 CB 1.600 73 residues pruned to eliminate duplicates Z: 76 75.423 2.369 1.017 0.622 0.947 0.653 CB 1.716 76 residues pruned to eliminate duplicates Z: 60 82.423 2.446 1.167 0.668 0.932 0.661 CB 1.859 60 residues pruned to eliminate duplicates Z: 124 101.958 2.397 1.038 0.630 0.927 0.707 CB 1.796 124 residues pruned to eliminate duplicates Z: 130 87.630 2.329 0.893 0.600 0.930 0.698 CB 1.710 130 residues pruned to eliminate duplicates Z: 106 92.878 2.343 0.949 0.677 0.971 0.762 CB 1.735 106 residues pruned to eliminate duplicates Z: 106 90.483 2.351 0.916 0.671 0.971 0.724 CB 1.724 106 residues pruned to eliminate duplicates Z: 126 98.866 2.362 1.000 0.624 0.952 0.696 CB 1.749 126 residues pruned to eliminate duplicates Z: 124 100.045 2.395 0.984 0.628 0.951 0.724 CB 1.769 124 residues pruned to eliminate duplicates Z: 60 69.378 2.401 1.065 0.633 0.881 0.661 CB 1.825 60 residues pruned to eliminate duplicates Z: 76 66.226 2.304 1.021 0.590 0.880 0.613 CB 1.713 76 residues pruned to eliminate duplicates Z: 90 73.273 2.313 1.009 0.585 0.921 0.551 CB 1.672 90 residues pruned to eliminate duplicates Z: 59 66.352 2.367 1.099 0.600 0.897 0.569 CB 1.778 59 residues pruned to eliminate duplicates Z: 85 85.683 2.383 1.031 0.645 0.929 0.631 CB 1.816 85 residues pruned to eliminate duplicates Z: 40 51.246 2.363 0.754 0.678 0.923 0.692 CB 1.821 40 residues pruned to eliminate duplicates Z: 36 56.147 2.417 0.731 0.717 1.000 0.686 CB 1.864 36 residues pruned to eliminate duplicates Z: 40 40.415 2.193 0.554 0.670 0.923 0.615 CB 1.758 40 residues pruned to eliminate duplicates Z: 6 2.541 1.785 0.565 0.100 0.600 0.600 C 1.130 6 residues pruned to eliminate duplicates Z: 38 55.031 2.428 0.760 0.694 0.946 0.676 CB 1.874 38 residues pruned to eliminate duplicates Z: 96 91.479 2.417 0.994 0.643 0.926 0.653 CB 1.839 96 residues pruned to eliminate duplicates Z: 38 53.056 2.435 0.697 0.674 0.946 0.622 CB 1.902 38 residues pruned to eliminate duplicates Z: 39 57.052 2.391 0.880 0.685 0.947 0.658 CB 1.835 39 residues pruned to eliminate duplicates Z: 40 54.178 2.365 0.839 0.657 0.949 0.590 CB 1.816 40 residues pruned to eliminate duplicates Z: 36 54.519 2.318 0.844 0.674 1.000 0.714 CB 1.836 36 residues pruned to eliminate duplicates Z: 37 58.699 2.475 0.892 0.664 0.917 0.694 CB 1.958 37 residues pruned to eliminate duplicates Z: 69 55.584 2.254 0.897 0.592 0.882 0.676 CB 1.636 69 residues pruned to eliminate duplicates Z: 31 52.224 2.450 0.684 0.693 1.000 0.767 C 1.937 31 residues pruned to eliminate duplicates Z: 95 97.312 2.444 0.970 0.657 0.957 0.670 CB 1.882 95 residues pruned to eliminate duplicates Z: 71 51.587 2.310 0.859 0.541 0.843 0.600 CB 1.636 71 residues pruned to eliminate duplicates Z: 35 54.169 2.386 0.791 0.703 0.971 0.647 CB 1.862 35 residues pruned to eliminate duplicates Z: 37 63.779 2.488 0.920 0.675 0.972 0.722 CB 1.947 37 residues pruned to eliminate duplicates Z: 37 60.541 2.467 0.914 0.677 0.944 0.694 CB 1.921 37 residues pruned to eliminate duplicates Z: 37 60.425 2.480 0.951 0.676 0.917 0.667 CB 1.931 37 residues pruned to eliminate duplicates Z: 38 56.680 2.441 0.885 0.699 0.892 0.730 CB 1.894 38 residues pruned to eliminate duplicates Z: 44 57.172 2.288 1.050 0.648 0.930 0.535 CB 1.741 44 residues pruned to eliminate duplicates Z: 38 61.401 2.440 1.020 0.650 0.919 0.568 CB 1.938 38 residues pruned to eliminate duplicates Z: 36 76.599 2.520 1.147 0.697 1.000 0.657 C 2.001 36 residues pruned to eliminate duplicates Z: 38 62.270 2.423 1.042 0.654 0.919 0.703 CB 1.951 38 residues pruned to eliminate duplicates Z: 39 64.529 2.364 1.045 0.671 1.000 0.658 CB 1.849 39 residues pruned to eliminate duplicates Z: 38 68.795 2.421 1.135 0.669 0.973 0.757 CB 1.924 38 residues pruned to eliminate duplicates Z: 39 64.624 2.378 1.145 0.678 0.974 0.711 CB 1.792 39 residues pruned to eliminate duplicates Z: 38 64.214 2.434 1.107 0.633 0.946 0.703 CB 1.921 38 residues pruned to eliminate duplicates Z: 36 68.527 2.505 1.070 0.683 0.943 0.714 C 2.003 36 residues pruned to eliminate duplicates Z: 39 63.950 2.404 1.016 0.671 0.974 0.711 CB 1.878 39 residues pruned to eliminate duplicates Z: 39 59.924 2.391 1.057 0.658 0.921 0.711 CB 1.854 39 residues pruned to eliminate duplicates Z: 39 63.144 2.360 1.099 0.664 0.947 0.658 CB 1.875 39 residues pruned to eliminate duplicates Z: 40 56.328 2.353 0.942 0.646 0.949 0.538 CB 1.816 40 residues pruned to eliminate duplicates Z: 40 63.476 2.359 1.074 0.658 0.974 0.718 CB 1.842 40 residues pruned to eliminate duplicates Z: 41 54.936 2.318 0.853 0.648 0.950 0.600 CB 1.854 41 residues pruned to eliminate duplicates Z: 37 71.101 2.462 1.038 0.698 1.000 0.722 CB 1.971 37 residues pruned to eliminate duplicates Z: 18 29.977 2.403 0.878 0.542 0.824 0.471 CB 1.878 18 residues pruned to eliminate duplicates Z: 23 23.033 2.245 1.099 0.490 0.727 0.545 CB 1.447 23 residues pruned to eliminate duplicates Z: 92 71.633 2.389 0.939 0.575 0.901 0.648 CB 1.673 103 residues pruned to eliminate duplicates Z: 79 66.035 2.396 0.890 0.558 0.910 0.679 CB 1.714 79 residues pruned to eliminate duplicates Z: 12 22.084 2.235 1.028 0.597 0.818 0.636 CA 1.636 12 residues pruned to eliminate duplicates Z: 17 13.146 2.113 0.846 0.302 0.688 0.500 CB 1.529 17 residues pruned to eliminate duplicates Z: 14 18.490 2.353 1.036 0.411 0.769 0.615 CB 1.528 14 residues pruned to eliminate duplicates Z: 10 17.912 2.321 0.928 0.440 0.778 0.556 CB 1.824 10 residues pruned to eliminate duplicates Z: 15 18.585 2.341 0.972 0.300 0.714 0.429 CB 1.883 15 residues pruned to eliminate duplicates Z: 38 31.486 2.312 0.817 0.381 0.892 0.486 CB 1.569 38 residues pruned to eliminate duplicates Z: 19 20.364 2.306 0.827 0.382 0.833 0.611 CB 1.550 19 residues pruned to eliminate duplicates Z: 10 9.412 1.973 0.777 0.334 0.778 0.444 CB 1.379 10 residues pruned to eliminate duplicates Z: 78 62.455 2.358 0.808 0.578 0.961 0.649 CB 1.612 78 residues pruned to eliminate duplicates Z: 15 20.312 2.295 1.110 0.391 0.714 0.643 CA 1.761 15 residues pruned to eliminate duplicates Z: 70 54.159 2.274 0.909 0.496 0.870 0.594 CB 1.733 70 residues pruned to eliminate duplicates Z: 37 23.663 2.255 0.778 0.345 0.806 0.472 CB 1.445 37 residues pruned to eliminate duplicates Z: 81 64.252 2.388 0.870 0.529 0.913 0.600 CB 1.714 81 residues pruned to eliminate duplicates Z: 37 21.736 2.276 0.492 0.342 0.833 0.528 CB 1.521 37 residues pruned to eliminate duplicates Z: 33 25.207 2.337 0.730 0.341 0.812 0.562 CB 1.613 33 residues pruned to eliminate duplicates Z: 38 27.946 2.270 0.889 0.373 0.811 0.595 CB 1.513 38 residues pruned to eliminate duplicates Z: 36 22.434 2.285 0.561 0.342 0.829 0.429 CB 1.524 36 residues pruned to eliminate duplicates Z: 81 66.797 2.410 0.885 0.556 0.900 0.663 CB 1.729 81 residues pruned to eliminate duplicates Z: 64 68.954 2.438 0.989 0.598 0.921 0.667 CB 1.773 64 residues pruned to eliminate duplicates Z: 31 24.188 2.281 0.640 0.384 0.867 0.500 CB 1.541 31 residues pruned to eliminate duplicates Z: 75 61.240 2.398 0.841 0.560 0.865 0.662 CB 1.759 75 residues pruned to eliminate duplicates Z: 38 26.383 2.282 0.682 0.389 0.865 0.486 CB 1.470 38 residues pruned to eliminate duplicates Z: 106 82.715 2.363 0.948 0.604 0.924 0.676 CB 1.720 106 residues pruned to eliminate duplicates Z: 36 23.015 2.162 0.775 0.390 0.829 0.400 CB 1.375 36 residues pruned to eliminate duplicates Z: 69 64.502 2.373 0.860 0.616 0.926 0.691 CB 1.714 69 residues pruned to eliminate duplicates Z: 71 62.497 2.398 0.904 0.594 0.914 0.686 CB 1.636 71 residues pruned to eliminate duplicates Z: 71 64.004 2.323 0.913 0.633 0.914 0.671 CB 1.662 71 residues pruned to eliminate duplicates Z: 70 64.394 2.401 0.813 0.629 0.928 0.681 CB 1.700 70 residues pruned to eliminate duplicates Z: 36 30.212 2.259 0.719 0.450 0.829 0.514 CB 1.670 36 residues pruned to eliminate duplicates Z: 68 66.208 2.362 0.864 0.622 0.940 0.716 CB 1.741 68 residues pruned to eliminate duplicates Z: 80 73.218 2.420 0.954 0.592 0.924 0.696 CB 1.726 80 residues pruned to eliminate duplicates Z: 31 22.501 2.278 0.693 0.382 0.800 0.500 CB 1.510 31 residues pruned to eliminate duplicates Z: 28 21.789 2.120 0.757 0.401 0.852 0.481 CB 1.468 28 residues pruned to eliminate duplicates Z: 52 61.032 2.368 0.849 0.661 0.961 0.667 CB 1.749 52 residues pruned to eliminate duplicates Z: 55 55.711 2.407 0.793 0.618 0.889 0.648 CB 1.768 55 residues pruned to eliminate duplicates Z: 31 24.190 2.231 0.609 0.426 0.867 0.400 CB 1.532 31 residues pruned to eliminate duplicates Z: 77 56.453 2.344 0.734 0.582 0.868 0.645 CB 1.695 77 residues pruned to eliminate duplicates Z: 49 68.006 2.369 0.981 0.738 0.979 0.729 CB 1.725 49 residues pruned to eliminate duplicates Z: 40 72.062 2.516 0.855 0.783 1.000 0.821 CB 1.927 40 residues pruned to eliminate duplicates Z: 41 69.364 2.476 1.088 0.715 0.950 0.775 CB 1.838 41 residues pruned to eliminate duplicates Z: 46 62.980 2.446 0.971 0.690 0.933 0.733 CB 1.754 46 residues pruned to eliminate duplicates Z: 75 68.790 2.381 0.894 0.613 0.905 0.649 CB 1.760 75 residues pruned to eliminate duplicates Z: 64 66.898 2.411 0.936 0.596 0.937 0.651 CB 1.759 64 residues pruned to eliminate duplicates Z: 48 75.012 2.410 1.132 0.757 0.979 0.809 CB 1.731 48 residues pruned to eliminate duplicates Z: 45 67.949 2.477 0.975 0.710 0.955 0.636 CB 1.812 45 residues pruned to eliminate duplicates Z: 49 69.995 2.412 1.064 0.713 0.958 0.688 CB 1.746 49 residues pruned to eliminate duplicates Z: 49 67.665 2.358 1.070 0.756 0.938 0.750 CB 1.698 49 residues pruned to eliminate duplicates Z: 72 68.027 2.412 0.934 0.600 0.901 0.690 CB 1.746 72 residues pruned to eliminate duplicates Z: 45 67.256 2.411 0.907 0.747 0.955 0.727 CB 1.854 45 residues pruned to eliminate duplicates Z: 72 72.029 2.324 0.991 0.651 0.958 0.676 CB 1.675 72 residues pruned to eliminate duplicates Z: 65 66.596 2.350 0.985 0.671 0.906 0.703 CB 1.681 65 residues pruned to eliminate duplicates Z: 121 97.167 2.395 1.060 0.603 0.950 0.642 CB 1.715 121 residues pruned to eliminate duplicates Z: 27 52.577 2.417 1.218 0.693 0.962 0.846 CB 1.677 27 residues pruned to eliminate duplicates Z: 44 71.078 2.435 1.031 0.740 0.977 0.744 CB 1.809 44 residues pruned to eliminate duplicates Z: 48 76.816 2.395 1.186 0.764 0.979 0.830 CB 1.729 48 residues pruned to eliminate duplicates Z: 41 69.150 2.477 1.089 0.752 0.900 0.775 CB 1.875 41 residues pruned to eliminate duplicates Z: 83 72.404 2.408 0.968 0.565 0.915 0.646 CB 1.732 83 residues pruned to eliminate duplicates Z: 80 68.265 2.368 1.032 0.561 0.899 0.709 CB 1.674 80 residues pruned to eliminate duplicates Z: 67 69.727 2.410 0.962 0.620 0.909 0.667 CB 1.783 67 residues pruned to eliminate duplicates Z: 49 79.467 2.383 1.208 0.771 1.000 0.792 CB 1.715 49 residues pruned to eliminate duplicates Z: 69 65.324 2.406 0.916 0.576 0.897 0.632 CB 1.780 69 residues pruned to eliminate duplicates Z: 50 71.883 2.408 1.177 0.720 0.939 0.714 CB 1.710 50 residues pruned to eliminate duplicates Z: 73 71.210 2.342 1.072 0.644 0.917 0.708 CB 1.649 73 residues pruned to eliminate duplicates Z: 73 65.350 2.325 0.986 0.629 0.889 0.722 CB 1.662 73 residues pruned to eliminate duplicates Z: 42 84.673 2.504 1.230 0.776 0.976 0.780 CB 1.903 42 residues pruned to eliminate duplicates Z: 69 69.338 2.422 0.947 0.626 0.912 0.706 CB 1.736 69 residues pruned to eliminate duplicates Z: 14 14.876 2.096 1.169 0.451 0.769 0.462 CB 1.241 14 residues pruned to eliminate duplicates Z: 69 66.333 2.375 0.915 0.620 0.912 0.647 CB 1.733 69 residues pruned to eliminate duplicates Z: 15 22.068 2.211 1.051 0.570 0.786 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 74 72.671 2.311 1.064 0.631 0.932 0.644 CB 1.693 74 residues pruned to eliminate duplicates Z: 28 54.047 2.353 1.275 0.639 0.926 0.852 CB 1.842 28 residues pruned to eliminate duplicates Z: 72 69.618 2.350 1.008 0.630 0.915 0.718 CB 1.692 72 residues pruned to eliminate duplicates Z: 110 81.811 2.386 0.952 0.585 0.908 0.651 CB 1.707 110 residues pruned to eliminate duplicates Z: 109 83.299 2.401 0.870 0.605 0.917 0.704 CB 1.762 109 residues pruned to eliminate duplicates Z: 15 8.198 1.805 0.836 0.288 0.714 0.286 CB 1.175 15 residues pruned to eliminate duplicates Z: 42 52.830 2.371 0.786 0.634 0.976 0.707 CB 1.762 42 residues pruned to eliminate duplicates Z: 43 55.358 2.364 0.869 0.616 0.952 0.714 CB 1.818 43 residues pruned to eliminate duplicates Z: 42 57.886 2.384 0.922 0.646 0.951 0.805 CB 1.810 42 residues pruned to eliminate duplicates Z: 8 13.862 2.310 0.699 0.307 1.000 0.429 CA 1.655 8 residues pruned to eliminate duplicates Z: 42 57.799 2.387 0.834 0.637 0.976 0.707 CB 1.860 42 residues pruned to eliminate duplicates Z: 42 52.887 2.373 0.729 0.619 0.976 0.732 CB 1.844 42 residues pruned to eliminate duplicates Z: 84 70.203 2.371 0.661 0.639 0.976 0.771 CB 1.761 44 residues pruned to eliminate duplicates Z: 16 43.186 2.402 0.883 0.861 1.000 0.533 C 1.811 16 residues pruned to eliminate duplicates Z: 41 57.908 2.417 0.829 0.649 0.975 0.750 CB 1.850 41 residues pruned to eliminate duplicates Z: 43 53.193 2.369 0.840 0.615 0.929 0.643 CB 1.818 43 residues pruned to eliminate duplicates Z: 42 58.491 2.377 0.808 0.648 1.000 0.756 CB 1.852 42 residues pruned to eliminate duplicates Z: 19 36.154 2.223 0.774 0.755 1.000 0.722 CB 1.722 19 residues pruned to eliminate duplicates Z: 49 60.258 2.378 0.929 0.632 0.958 0.750 CB 1.748 49 residues pruned to eliminate duplicates Z: 44 63.331 2.361 0.925 0.641 1.000 0.651 CB 1.861 44 residues pruned to eliminate duplicates Z: 49 50.162 2.381 0.690 0.601 0.958 0.708 CB 1.706 49 residues pruned to eliminate duplicates Z: 44 55.977 2.324 0.947 0.607 0.977 0.674 CB 1.746 44 residues pruned to eliminate duplicates Z: 42 57.616 2.388 0.978 0.644 0.927 0.756 CB 1.796 42 residues pruned to eliminate duplicates Z: 41 57.230 2.424 0.835 0.654 0.950 0.725 CB 1.855 41 residues pruned to eliminate duplicates Z: 42 56.738 2.381 0.850 0.616 0.976 0.707 CB 1.847 42 residues pruned to eliminate duplicates Z: 43 58.258 2.368 0.955 0.596 0.952 0.643 CB 1.860 43 residues pruned to eliminate duplicates Z: 41 60.369 2.401 0.913 0.654 0.975 0.800 CB 1.848 41 residues pruned to eliminate duplicates Z: 91 67.831 2.349 0.640 0.606 0.967 0.733 CB 1.736 90 residues pruned to eliminate duplicates Z: 11 28.423 2.301 0.669 0.892 1.000 1.000 CA 1.682 11 residues pruned to eliminate duplicates Z: 43 59.685 2.373 0.839 0.658 0.976 0.786 CB 1.867 43 residues pruned to eliminate duplicates Z: 43 49.535 2.337 0.773 0.615 0.952 0.738 CB 1.736 43 residues pruned to eliminate duplicates Z: 84 65.616 2.338 0.686 0.602 0.952 0.711 CB 1.742 56 residues pruned to eliminate duplicates Z: 10 37.301 2.466 0.909 0.874 1.000 1.000 CA 1.922 10 residues pruned to eliminate duplicates Z: 46 62.705 2.359 0.925 0.627 0.978 0.711 CB 1.868 46 residues pruned to eliminate duplicates Z: 43 56.923 2.333 0.909 0.634 0.976 0.714 CB 1.781 43 residues pruned to eliminate duplicates Z: 39 69.293 2.494 1.017 0.660 1.000 0.789 CB 1.926 39 residues pruned to eliminate duplicates Z: 43 60.674 2.335 0.930 0.625 1.000 0.738 CB 1.847 43 residues pruned to eliminate duplicates Z: 42 58.080 2.362 0.862 0.646 1.000 0.707 CB 1.799 28 residues pruned to eliminate duplicates Z: 7 3.868 1.718 -0.004 0.315 0.833 0.500 CA 1.358 7 residues pruned to eliminate duplicates Z: 41 52.040 2.381 0.721 0.662 0.950 0.750 CB 1.819 41 residues pruned to eliminate duplicates Z: 117 81.802 2.369 0.904 0.575 0.888 0.629 CB 1.765 117 residues pruned to eliminate duplicates Z: 96 89.560 2.417 0.928 0.643 0.926 0.663 CB 1.863 96 residues pruned to eliminate duplicates Z: 103 86.166 2.386 0.896 0.611 0.931 0.667 CB 1.823 103 residues pruned to eliminate duplicates Z: 78 82.986 2.383 0.862 0.700 0.974 0.766 CB 1.824 78 residues pruned to eliminate duplicates Z: 41 49.513 2.359 0.632 0.649 1.000 0.800 CB 1.770 41 residues pruned to eliminate duplicates Z: 146 90.511 2.342 0.863 0.583 0.938 0.662 CB 1.696 146 residues pruned to eliminate duplicates Z: 63 47.643 2.232 0.676 0.560 0.935 0.694 CB 1.632 63 residues pruned to eliminate duplicates Z: 108 87.421 2.366 0.909 0.621 0.944 0.701 CB 1.768 108 residues pruned to eliminate duplicates Z: 41 49.873 2.431 0.582 0.687 0.975 0.800 CB 1.771 41 residues pruned to eliminate duplicates Z: 105 93.200 2.362 1.000 0.639 0.971 0.740 CB 1.749 105 residues pruned to eliminate duplicates Z: 106 87.938 2.351 0.927 0.649 0.971 0.743 CB 1.697 106 residues pruned to eliminate duplicates Z: 41 45.887 2.371 0.586 0.653 0.950 0.825 CB 1.761 41 residues pruned to eliminate duplicates Z: 41 54.150 2.414 0.733 0.661 0.975 0.750 CB 1.808 41 residues pruned to eliminate duplicates Z: 40 58.113 2.436 0.796 0.675 0.974 0.846 CB 1.858 40 residues pruned to eliminate duplicates Z: 42 54.112 2.369 0.771 0.668 0.951 0.829 CB 1.813 42 residues pruned to eliminate duplicates Z: 97 92.525 2.419 1.002 0.638 0.917 0.698 CB 1.869 97 residues pruned to eliminate duplicates Z: 45 52.141 2.315 0.750 0.642 0.955 0.750 CB 1.780 45 residues pruned to eliminate duplicates Z: 42 56.039 2.375 0.779 0.644 1.000 0.756 CB 1.810 42 residues pruned to eliminate duplicates Z: 97 88.553 2.404 0.922 0.648 0.927 0.719 CB 1.839 97 residues pruned to eliminate duplicates Z: 41 55.993 2.401 0.805 0.661 0.975 0.775 CB 1.804 41 residues pruned to eliminate duplicates Z: 42 52.218 2.378 0.680 0.664 0.951 0.780 CB 1.844 42 residues pruned to eliminate duplicates Z: 44 57.449 2.363 0.725 0.654 1.000 0.791 CB 1.862 44 residues pruned to eliminate duplicates Z: 41 53.912 2.380 0.673 0.651 1.000 0.800 CB 1.859 41 residues pruned to eliminate duplicates Z: 181 90.515 2.245 0.850 0.599 0.933 0.650 CB 1.583 202 residues pruned to eliminate duplicates Z: 79 88.249 2.390 0.959 0.685 0.974 0.769 CB 1.848 79 residues pruned to eliminate duplicates Z: 45 48.525 2.304 0.720 0.625 0.932 0.795 CB 1.761 45 residues pruned to eliminate duplicates Z: 41 51.784 2.382 0.713 0.664 0.975 0.850 CB 1.769 41 residues pruned to eliminate duplicates Z: 44 51.348 2.347 0.634 0.671 0.977 0.744 CB 1.786 44 residues pruned to eliminate duplicates Z: 41 54.604 2.406 0.767 0.656 0.950 0.675 CB 1.850 41 residues pruned to eliminate duplicates Z: 106 92.706 2.341 1.005 0.672 0.971 0.752 CB 1.693 106 residues pruned to eliminate duplicates Z: 40 55.242 2.417 0.782 0.662 0.949 0.846 CB 1.863 40 residues pruned to eliminate duplicates Z: 41 54.232 2.418 0.703 0.646 0.950 0.675 CB 1.913 41 residues pruned to eliminate duplicates Z: 36 57.223 2.418 0.771 0.737 0.971 0.743 CB 1.881 36 residues pruned to eliminate duplicates Z: 41 53.902 2.366 0.733 0.661 0.950 0.725 CB 1.884 41 residues pruned to eliminate duplicates Z: 51 50.360 2.282 0.696 0.618 0.940 0.720 CB 1.751 51 residues pruned to eliminate duplicates Z: 21 9.935 1.547 0.389 0.761 0.950 0.750 CB 0.863 Z: 16 7.819 1.513 0.161 0.836 1.000 0.933 CB 0.861 16 residues pruned to eliminate duplicates Z: 21 11.068 1.593 0.371 0.711 1.000 0.850 CB 0.936 21 residues pruned to eliminate duplicates Z: 12 7.633 1.358 0.330 0.883 1.000 0.727 CB 0.921 12 residues pruned to eliminate duplicates Z: 38 20.458 1.816 0.487 0.650 0.946 0.757 CB 1.145 59 residues pruned to eliminate duplicates Z: 23 12.524 1.532 0.510 0.691 1.000 0.636 CB 0.969 Z: 14 6.548 1.451 0.266 0.823 0.923 0.615 CB 0.809 14 residues pruned to eliminate duplicates Z: 18 11.518 1.523 0.504 0.739 1.000 0.706 CB 0.984 18 residues pruned to eliminate duplicates Z: 21 12.636 1.581 0.619 0.707 1.000 0.650 CB 0.915 21 residues pruned to eliminate duplicates Z: 23 11.269 1.575 0.469 0.665 1.000 0.727 CB 0.892 22 residues pruned to eliminate duplicates Z: 15 9.322 1.418 0.576 0.851 1.000 0.714 CB 0.825 15 residues pruned to eliminate duplicates Z: 38 24.375 1.791 0.601 0.653 0.973 0.622 CB 1.246 62 residues pruned to eliminate duplicates Z: 23 12.874 1.518 0.561 0.690 1.000 0.682 CB 0.973 Z: 14 9.733 1.471 0.646 0.925 1.000 0.769 CB 0.782 14 residues pruned to eliminate duplicates Z: 38 24.242 1.833 0.676 0.666 0.946 0.649 CB 1.175 61 residues pruned to eliminate duplicates Z: 38 23.511 1.809 0.708 0.655 0.946 0.649 CB 1.145 38 residues pruned to eliminate duplicates Z: 34 23.380 1.836 0.696 0.651 0.939 0.545 CB 1.209 34 residues pruned to eliminate duplicates Z: 27 18.881 1.877 0.646 0.627 0.885 0.654 CB 1.202 27 residues pruned to eliminate duplicates Z: 38 23.472 1.801 0.677 0.677 0.973 0.730 CB 1.115 38 residues pruned to eliminate duplicates Z: 38 24.898 1.841 0.675 0.659 0.973 0.676 CB 1.177 38 residues pruned to eliminate duplicates Z: 37 26.241 1.827 0.655 0.676 1.000 0.722 CB 1.229 37 residues pruned to eliminate duplicates Z: 38 24.039 1.817 0.594 0.650 0.973 0.595 CB 1.220 38 residues pruned to eliminate duplicates Z: 27 25.993 1.894 0.859 0.650 0.962 0.731 CB 1.309 27 residues pruned to eliminate duplicates Z: 38 26.701 1.819 0.790 0.663 0.973 0.676 CB 1.191 38 residues pruned to eliminate duplicates Z: 33 25.880 1.862 0.758 0.697 0.969 0.719 CB 1.205 33 residues pruned to eliminate duplicates Z: 37 26.545 1.874 0.766 0.663 0.944 0.722 CB 1.217 37 residues pruned to eliminate duplicates Z: 38 24.463 1.839 0.648 0.669 0.946 0.757 CB 1.200 38 residues pruned to eliminate duplicates Z: 38 24.718 1.843 0.684 0.659 0.946 0.730 CB 1.194 38 residues pruned to eliminate duplicates Z: 33 26.425 1.873 0.816 0.706 0.938 0.812 CB 1.215 33 residues pruned to eliminate duplicates Z: 19 22.841 2.105 0.918 0.550 0.944 0.722 CB 1.345 19 residues pruned to eliminate duplicates Z: 34 22.356 1.848 0.601 0.632 0.939 0.636 CB 1.237 34 residues pruned to eliminate duplicates 308 residues left after pruning, divided into chains as follows: A: 308 CC for partial structure against native data = 43.87 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.493, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.785 for dens.mod. cycle 2 = 0.300, Contrast = 0.666, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.668, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.676, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.679, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.679, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.680, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.827 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.29 - 2.60 - 2.26 - 2.05 - 1.90 - 1.79 - 1.70 - 1.62 - 1.56 - 1.51 0.675 0.723 0.756 0.761 0.745 0.732 0.733 0.726 0.729 0.704 0.840 0.872 0.899 0.898 0.883 0.873 0.859 0.848 0.841 0.814 N 6085 6068 6199 6157 6171 5946 6038 6575 5849 5596 Estimated mean FOM = 0.729 Pseudo-free CC = 74.83 % Best trace (cycle 2 with CC 44.02%) was saved as ./2opl-1.5-parrot-mrncs/2opl-1.5-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 7.3 - FFTs and peak-searches 24.3 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1881.1 - Tripeptide search 14731.2 - Chain tracing 0.0 - NCS analysis 33.8 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:59:43 Total time: 16679.29 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 279.32 Used memory is bytes: 9320792