++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:25:48 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-noncs/2opl-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.ins Phases from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phi Native data from ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.hkl Listing output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.lst Phases output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phs Poly-Ala trace output to ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 60684 Reflections read from file ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.phi 60684 Reflections read from file ./2opl-1.5-parrot-noncs/2opl-1.5-parrot-noncs.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 = 0.262, Contrast = 0.069, Connect. = 0.605 for dens.mod. cycle 1 = 0.299, Contrast = 0.215, Connect. = 0.637 for dens.mod. cycle 2 = 0.300, Contrast = 0.394, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.492, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.581, Connect. = 0.807 for dens.mod. cycle 6 = 0.300, Contrast = 0.602, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.616, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.626, Connect. = 0.821 for dens.mod. cycle 9 = 0.300, Contrast = 0.633, Connect. = 0.823 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2631 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 512 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 49.267 2.273 1.019 0.702 0.935 0.742 CB 1.715 B: 25 68.240 2.384 1.193 0.936 1.000 0.917 CB 1.855 C: 27 64.549 2.329 1.283 0.927 1.000 0.885 CB 1.668 D: 25 65.920 2.365 1.137 0.947 1.000 0.958 CB 1.840 25 residues pruned to eliminate duplicates E: 10 43.977 2.435 1.192 0.908 1.000 0.889 CB 1.950 F: 26 66.356 2.415 1.016 0.958 1.000 0.880 CB 1.870 27 residues pruned to eliminate duplicates G: 25 78.375 2.461 1.370 0.960 1.000 0.917 CB 1.878 26 residues pruned to eliminate duplicates H: 12 19.490 2.276 1.409 0.464 0.727 0.636 CB 1.529 I: 27 54.213 2.237 1.127 0.922 1.000 0.769 CB 1.571 27 residues pruned to eliminate duplicates J: 27 63.767 2.354 1.150 0.933 1.000 0.846 CB 1.725 27 residues pruned to eliminate duplicates K: 25 62.739 2.368 1.060 0.948 1.000 0.875 CB 1.814 25 residues pruned to eliminate duplicates L: 25 66.257 2.459 1.000 0.952 1.000 0.917 CB 1.894 25 residues pruned to eliminate duplicates M: 26 36.804 2.237 1.257 0.566 0.880 0.640 CB 1.555 12 residues pruned to eliminate duplicates N: 25 62.627 2.375 1.103 0.940 1.000 0.917 CB 1.778 25 residues pruned to eliminate duplicates O: 27 55.344 2.336 0.829 0.949 1.000 0.962 CB 1.753 27 residues pruned to eliminate duplicates P: 51 50.389 2.300 0.864 0.599 0.960 0.740 CB 1.575 10 residues pruned to eliminate duplicates Q: 67 39.887 2.017 0.943 0.523 0.879 0.545 CB 1.394 26 residues pruned to eliminate duplicates R: 25 63.919 2.379 1.164 0.927 0.958 0.875 C 1.853 25 residues pruned to eliminate duplicates S: 25 72.813 2.381 1.345 0.953 1.000 0.917 C 1.832 25 residues pruned to eliminate duplicates T: 10 42.312 2.388 1.298 0.870 1.000 0.889 CB 1.876 10 residues pruned to eliminate duplicates U: 26 60.359 2.371 0.958 0.942 1.000 0.880 CB 1.804 26 residues pruned to eliminate duplicates V: 25 67.474 2.359 1.246 0.943 1.000 0.792 C 1.802 25 residues pruned to eliminate duplicates W: 26 23.239 2.127 1.170 0.399 0.800 0.480 CB 1.401 X: 13 19.941 2.199 1.157 0.450 0.833 0.583 C 1.533 13 residues pruned to eliminate duplicates Y: 9 30.648 2.489 0.759 0.834 1.000 0.875 CB 1.854 9 residues pruned to eliminate duplicates Z: 9 39.883 2.513 1.155 0.851 1.000 1.000 CB 1.928 9 residues pruned to eliminate duplicates Z: 8 39.807 2.516 1.526 0.756 1.000 0.857 CB 1.884 Z: 10 33.554 2.387 0.932 0.876 1.000 0.667 CA 1.762 10 residues pruned to eliminate duplicates Z: 26 62.526 2.428 1.014 0.951 1.000 0.920 CB 1.762 26 residues pruned to eliminate duplicates Z: 34 61.569 2.332 1.268 0.701 0.970 0.758 CB 1.739 28 residues pruned to eliminate duplicates Z: 15 38.759 2.237 0.757 0.942 1.000 1.000 CB 1.828 15 residues pruned to eliminate duplicates Z: 27 58.058 2.334 1.001 0.931 1.000 0.885 CB 1.704 27 residues pruned to eliminate duplicates Z: 16 31.692 2.235 0.643 0.883 1.000 0.667 CB 1.612 16 residues pruned to eliminate duplicates Z: 26 67.087 2.393 1.187 0.955 1.000 0.960 CB 1.762 26 residues pruned to eliminate duplicates Z: 130 95.077 2.323 1.062 0.617 0.961 0.713 CB 1.627 60 residues pruned to eliminate duplicates Z: 15 33.439 2.229 0.579 0.935 1.000 1.000 CB 1.769 15 residues pruned to eliminate duplicates Z: 16 37.517 2.344 0.695 0.912 1.000 0.800 CB 1.727 16 residues pruned to eliminate duplicates Z: 17 18.287 2.009 0.909 0.633 0.875 0.688 CB 1.203 Z: 38 58.814 2.332 1.253 0.671 0.946 0.757 CB 1.662 38 residues pruned to eliminate duplicates Z: 17 40.604 2.263 0.940 0.897 1.000 0.938 CB 1.655 17 residues pruned to eliminate duplicates Z: 10 41.478 2.355 1.303 0.895 1.000 0.889 CA 1.827 10 residues pruned to eliminate duplicates Z: 75 45.133 2.171 0.928 0.435 0.851 0.446 CB 1.574 75 residues pruned to eliminate duplicates Z: 78 63.790 2.255 0.999 0.582 0.935 0.675 CB 1.593 78 residues pruned to eliminate duplicates Z: 50 59.623 2.355 1.003 0.625 0.980 0.755 CB 1.639 51 residues pruned to eliminate duplicates Z: 10 23.337 2.167 0.752 0.909 1.000 1.000 CB 1.455 10 residues pruned to eliminate duplicates Z: 47 64.544 2.294 0.926 0.727 1.000 0.783 CB 1.755 46 residues pruned to eliminate duplicates Z: 9 30.159 2.382 0.832 0.886 1.000 1.000 CB 1.763 9 residues pruned to eliminate duplicates Z: 27 67.167 2.355 1.159 0.938 1.000 0.808 CB 1.802 27 residues pruned to eliminate duplicates Z: 27 53.116 2.317 0.860 0.938 1.000 0.962 CB 1.681 27 residues pruned to eliminate duplicates Z: 52 57.829 2.288 1.044 0.624 0.961 0.784 CB 1.602 51 residues pruned to eliminate duplicates Z: 16 38.833 2.134 0.841 0.941 1.000 0.933 CA 1.771 16 residues pruned to eliminate duplicates Z: 16 34.858 2.323 0.605 0.913 1.000 1.000 CB 1.708 16 residues pruned to eliminate duplicates Z: 50 58.132 2.337 1.032 0.610 0.980 0.714 CB 1.608 50 residues pruned to eliminate duplicates Z: 15 32.405 2.300 0.635 0.903 1.000 0.929 CB 1.642 15 residues pruned to eliminate duplicates Z: 95 79.694 2.273 1.121 0.604 0.968 0.660 CB 1.595 95 residues pruned to eliminate duplicates Z: 15 36.743 2.214 0.744 0.947 1.000 1.000 CB 1.757 15 residues pruned to eliminate duplicates Z: 26 75.573 2.375 1.349 0.960 1.000 0.920 CB 1.856 26 residues pruned to eliminate duplicates Z: 10 22.063 2.373 1.343 0.546 0.778 0.778 CB 1.625 10 residues pruned to eliminate duplicates Z: 16 37.589 2.335 0.708 0.885 1.000 0.800 CB 1.758 16 residues pruned to eliminate duplicates Z: 122 93.235 2.265 1.096 0.670 0.950 0.777 CB 1.605 122 residues pruned to eliminate duplicates Z: 37 57.927 2.359 1.119 0.683 0.972 0.667 CB 1.680 38 residues pruned to eliminate duplicates Z: 37 62.230 2.375 1.245 0.665 0.972 0.639 CB 1.717 37 residues pruned to eliminate duplicates Z: 17 30.775 2.185 0.775 0.835 0.938 0.750 CB 1.585 17 residues pruned to eliminate duplicates Z: 11 24.778 2.156 1.233 0.582 0.900 0.900 CA 1.672 12 residues pruned to eliminate duplicates Z: 16 28.651 2.168 0.427 0.924 0.933 0.867 CB 1.800 16 residues pruned to eliminate duplicates Z: 16 35.974 2.347 0.678 0.888 1.000 0.867 CB 1.700 16 residues pruned to eliminate duplicates Z: 25 63.932 2.421 1.115 0.939 1.000 0.750 CB 1.771 25 residues pruned to eliminate duplicates Z: 15 22.624 2.320 1.311 0.459 0.786 0.500 CB 1.496 15 residues pruned to eliminate duplicates Z: 11 18.330 2.252 1.179 0.439 0.800 0.600 CB 1.573 11 residues pruned to eliminate duplicates Z: 11 21.694 2.069 0.618 0.875 1.000 0.900 CA 1.491 11 residues pruned to eliminate duplicates Z: 50 61.497 2.331 1.016 0.623 1.000 0.714 CB 1.666 51 residues pruned to eliminate duplicates Z: 16 45.892 2.343 1.183 0.854 1.000 0.733 CB 1.712 16 residues pruned to eliminate duplicates Z: 93 73.704 2.326 1.088 0.581 0.913 0.620 CB 1.604 93 residues pruned to eliminate duplicates Z: 25 63.258 2.367 1.092 0.935 1.000 0.958 CB 1.818 25 residues pruned to eliminate duplicates Z: 27 70.784 2.346 1.265 0.948 1.000 0.885 CB 1.805 27 residues pruned to eliminate duplicates Z: 25 80.527 2.467 1.384 0.959 1.000 0.875 CB 1.916 25 residues pruned to eliminate duplicates Z: 25 68.279 2.374 1.235 0.933 1.000 0.875 C 1.833 25 residues pruned to eliminate duplicates Z: 21 12.379 1.535 0.596 0.760 1.000 0.700 CB 0.897 20 residues pruned to eliminate duplicates Z: 62 56.524 2.245 0.976 0.636 0.885 0.689 CB 1.623 42 residues pruned to eliminate duplicates Z: 26 76.343 2.427 1.266 0.956 1.000 0.840 CB 1.907 26 residues pruned to eliminate duplicates Z: 16 33.326 2.233 0.854 0.864 1.000 0.800 CB 1.524 16 residues pruned to eliminate duplicates Z: 72 65.216 2.281 1.051 0.611 0.915 0.648 CB 1.627 76 residues pruned to eliminate duplicates Z: 15 25.983 2.186 0.235 0.926 1.000 1.000 CB 1.805 15 residues pruned to eliminate duplicates Z: 25 67.586 2.377 1.222 0.944 1.000 0.833 C 1.809 25 residues pruned to eliminate duplicates Z: 10 22.366 2.344 1.368 0.530 0.778 0.778 CB 1.677 10 residues pruned to eliminate duplicates Z: 25 73.731 2.464 1.202 0.957 1.000 0.875 CB 1.903 25 residues pruned to eliminate duplicates Z: 117 91.732 2.342 1.082 0.622 0.957 0.733 CB 1.628 117 residues pruned to eliminate duplicates Z: 17 18.226 2.017 0.924 0.440 0.875 0.438 CB 1.428 17 residues pruned to eliminate duplicates Z: 26 73.521 2.401 1.287 0.938 1.000 0.840 CB 1.863 26 residues pruned to eliminate duplicates Z: 47 59.444 2.326 0.945 0.656 1.000 0.783 CB 1.676 47 residues pruned to eliminate duplicates Z: 17 39.826 2.249 0.924 0.892 1.000 0.812 CB 1.654 17 residues pruned to eliminate duplicates Z: 43 49.092 2.186 1.072 0.636 0.976 0.619 CB 1.509 43 residues pruned to eliminate duplicates Z: 17 33.689 2.264 0.662 0.904 1.000 0.812 CB 1.593 17 residues pruned to eliminate duplicates Z: 16 39.101 2.289 0.941 0.853 1.000 0.733 CB 1.679 16 residues pruned to eliminate duplicates Z: 84 66.155 2.270 1.113 0.615 0.880 0.663 CB 1.544 83 residues pruned to eliminate duplicates Z: 26 64.453 2.358 1.171 0.939 0.960 0.800 CB 1.822 26 residues pruned to eliminate duplicates Z: 112 83.978 2.302 1.068 0.621 0.937 0.658 CB 1.594 112 residues pruned to eliminate duplicates Z: 107 88.298 2.309 1.096 0.656 0.953 0.755 CB 1.608 107 residues pruned to eliminate duplicates Z: 27 72.315 2.357 1.324 0.948 1.000 0.962 CB 1.788 27 residues pruned to eliminate duplicates Z: 26 66.852 2.354 1.287 0.939 0.960 0.800 C 1.798 26 residues pruned to eliminate duplicates Z: 17 41.088 2.239 1.050 0.867 1.000 0.625 CB 1.637 17 residues pruned to eliminate duplicates Z: 9 33.992 2.359 0.978 0.916 1.000 1.000 CB 1.818 9 residues pruned to eliminate duplicates Z: 26 56.593 2.399 0.927 0.953 1.000 0.840 CB 1.685 26 residues pruned to eliminate duplicates Z: 8 10.151 1.846 0.590 0.857 0.857 0.714 CB 1.124 8 residues pruned to eliminate duplicates Z: 25 54.294 2.453 0.645 0.961 1.000 1.000 CB 1.879 25 residues pruned to eliminate duplicates Z: 25 70.219 2.386 1.279 0.951 1.000 0.958 CB 1.817 25 residues pruned to eliminate duplicates Z: 130 91.444 2.313 0.996 0.628 0.953 0.705 CB 1.621 131 residues pruned to eliminate duplicates Z: 27 52.693 2.241 1.037 0.928 0.962 0.885 CB 1.649 27 residues pruned to eliminate duplicates Z: 26 69.716 2.351 1.353 0.935 1.000 0.800 CB 1.757 26 residues pruned to eliminate duplicates Z: 93 71.909 2.270 0.993 0.592 0.924 0.598 CB 1.642 177 residues pruned to eliminate duplicates Z: 39 37.774 2.184 1.179 0.528 0.947 0.711 CB 1.322 39 residues pruned to eliminate duplicates Z: 127 90.868 2.272 1.082 0.616 0.937 0.706 CB 1.637 127 residues pruned to eliminate duplicates Z: 17 41.246 2.145 0.969 0.934 1.000 0.875 CB 1.703 17 residues pruned to eliminate duplicates Z: 16 37.754 2.138 0.831 0.944 1.000 1.000 CA 1.724 16 residues pruned to eliminate duplicates Z: 11 28.886 2.190 0.779 0.918 1.000 1.000 CB 1.653 11 residues pruned to eliminate duplicates Z: 143 92.257 2.304 0.999 0.606 0.944 0.718 CB 1.611 143 residues pruned to eliminate duplicates Z: 33 60.105 2.390 1.222 0.680 0.938 0.562 CB 1.808 34 residues pruned to eliminate duplicates Z: 32 24.720 1.713 0.918 0.684 1.000 0.548 CB 1.141 27 residues pruned to eliminate duplicates Z: 52 53.141 2.296 0.909 0.597 0.980 0.745 CB 1.578 52 residues pruned to eliminate duplicates Z: 17 25.604 2.105 0.629 0.891 0.875 0.688 CB 1.533 17 residues pruned to eliminate duplicates Z: 14 19.048 2.036 0.254 0.877 0.923 0.769 CA 1.628 Z: 25 73.611 2.379 1.401 0.935 1.000 0.792 C 1.832 25 residues pruned to eliminate duplicates Z: 17 40.294 2.161 1.003 0.932 1.000 0.875 CB 1.625 17 residues pruned to eliminate duplicates Z: 87 80.743 2.347 1.209 0.621 0.942 0.733 CB 1.591 87 residues pruned to eliminate duplicates Z: 10 21.905 2.259 1.131 0.553 0.889 0.667 CA 1.621 10 residues pruned to eliminate duplicates Z: 46 55.106 2.266 1.148 0.628 0.867 0.733 CB 1.725 47 residues pruned to eliminate duplicates Z: 7 15.564 2.129 0.363 0.838 1.000 0.333 CB 1.636 7 residues pruned to eliminate duplicates Z: 23 59.292 2.381 1.117 0.938 0.955 0.773 CB 1.827 25 residues pruned to eliminate duplicates Z: 7 11.608 2.008 0.287 0.828 1.000 0.667 CA 1.381 7 residues pruned to eliminate duplicates Z: 45 61.338 2.329 1.192 0.663 0.932 0.682 CB 1.672 81 residues pruned to eliminate duplicates Z: 25 67.180 2.356 1.270 0.915 1.000 0.917 CB 1.812 25 residues pruned to eliminate duplicates Z: 41 49.364 2.296 0.905 0.637 0.975 0.725 CB 1.610 41 residues pruned to eliminate duplicates Z: 28 19.682 2.054 0.645 0.370 0.815 0.370 CB 1.581 28 residues pruned to eliminate duplicates Z: 11 30.196 2.196 1.382 0.602 1.000 0.600 CA 1.656 11 residues pruned to eliminate duplicates Z: 6 16.733 2.203 0.596 0.807 1.000 0.400 CB 1.628 Z: 15 31.694 2.184 0.744 0.904 0.929 0.929 CB 1.707 Z: 17 37.794 2.253 0.882 0.848 1.000 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 25 74.875 2.381 1.436 0.953 1.000 0.958 C 1.814 25 residues pruned to eliminate duplicates Z: 71 57.829 2.200 1.047 0.577 0.900 0.643 CB 1.584 38 residues pruned to eliminate duplicates Z: 16 29.502 2.215 0.711 0.850 0.933 0.667 CB 1.595 16 residues pruned to eliminate duplicates Z: 16 32.218 2.287 0.780 0.856 0.933 0.933 CB 1.615 16 residues pruned to eliminate duplicates Z: 26 58.719 2.348 0.944 0.929 1.000 0.840 CB 1.799 26 residues pruned to eliminate duplicates Z: 25 64.491 2.370 1.102 0.929 1.000 0.917 C 1.849 25 residues pruned to eliminate duplicates Z: 17 36.533 2.222 0.946 0.867 1.000 0.812 CB 1.546 17 residues pruned to eliminate duplicates Z: 16 40.145 2.098 0.990 0.915 1.000 0.933 CA 1.754 15 residues pruned to eliminate duplicates Z: 17 36.424 2.214 0.876 0.876 1.000 0.812 CB 1.593 17 residues pruned to eliminate duplicates Z: 9 25.616 2.212 0.931 0.852 1.000 1.000 CA 1.569 9 residues pruned to eliminate duplicates Z: 42 52.665 2.271 1.035 0.658 0.951 0.780 CB 1.615 42 residues pruned to eliminate duplicates Z: 9 31.532 2.473 0.841 0.841 1.000 0.875 CB 1.826 9 residues pruned to eliminate duplicates Z: 27 22.106 1.742 0.752 0.723 0.962 0.692 CB 1.208 27 residues pruned to eliminate duplicates Z: 16 36.594 2.252 0.907 0.894 1.000 0.867 CB 1.578 16 residues pruned to eliminate duplicates Z: 26 60.599 2.319 1.110 0.940 1.000 0.880 CB 1.719 26 residues pruned to eliminate duplicates Z: 12 12.026 1.826 0.755 0.551 0.909 0.545 CB 1.184 11 residues pruned to eliminate duplicates Z: 10 35.390 2.358 0.905 0.885 1.000 1.000 CB 1.897 10 residues pruned to eliminate duplicates Z: 16 32.457 2.220 0.699 0.901 1.000 0.800 CB 1.586 16 residues pruned to eliminate duplicates Z: 32 26.115 2.194 0.966 0.449 0.839 0.613 CB 1.366 24 residues pruned to eliminate duplicates Z: 87 63.244 2.290 1.013 0.549 0.919 0.640 CB 1.536 87 residues pruned to eliminate duplicates Z: 26 18.100 1.748 0.670 0.640 0.920 0.640 CB 1.183 26 residues pruned to eliminate duplicates Z: 9 33.825 2.453 0.871 0.902 1.000 1.000 CB 1.859 9 residues pruned to eliminate duplicates Z: 28 51.590 2.239 0.870 0.935 1.000 0.889 CB 1.652 28 residues pruned to eliminate duplicates Z: 17 35.395 2.045 1.064 0.825 0.938 0.688 CA 1.689 17 residues pruned to eliminate duplicates Z: 81 66.884 2.229 1.072 0.591 0.925 0.637 CB 1.605 81 residues pruned to eliminate duplicates Z: 18 21.556 1.990 0.896 0.612 0.882 0.706 CB 1.413 18 residues pruned to eliminate duplicates Z: 24 65.092 2.363 1.243 0.941 1.000 1.000 CB 1.777 24 residues pruned to eliminate duplicates Z: 18 31.507 2.091 0.947 0.840 0.941 0.588 CB 1.488 18 residues pruned to eliminate duplicates Z: 25 76.381 2.386 1.456 0.953 1.000 0.958 C 1.831 25 residues pruned to eliminate duplicates Z: 33 52.614 2.207 1.051 0.712 0.969 0.656 CB 1.750 22 residues pruned to eliminate duplicates Z: 10 21.813 2.293 1.383 0.565 0.778 0.667 CB 1.606 10 residues pruned to eliminate duplicates Z: 40 48.012 2.269 0.901 0.671 0.923 0.692 CB 1.649 35 residues pruned to eliminate duplicates Z: 42 55.525 2.265 0.931 0.689 1.000 0.829 CB 1.668 42 residues pruned to eliminate duplicates Z: 41 26.969 2.130 0.891 0.352 0.825 0.525 CB 1.506 41 residues pruned to eliminate duplicates Z: 51 57.484 2.323 0.977 0.617 0.980 0.720 CB 1.617 52 residues pruned to eliminate duplicates Z: 16 39.141 2.271 0.909 0.910 1.000 0.800 CB 1.653 16 residues pruned to eliminate duplicates Z: 26 74.660 2.376 1.450 0.956 1.000 0.840 CB 1.762 26 residues pruned to eliminate duplicates Z: 70 60.034 2.212 1.020 0.614 0.899 0.652 CB 1.616 70 residues pruned to eliminate duplicates Z: 129 83.284 2.300 0.964 0.609 0.938 0.703 CB 1.568 129 residues pruned to eliminate duplicates Z: 26 73.664 2.437 1.301 0.955 0.960 0.880 CB 1.881 26 residues pruned to eliminate duplicates Z: 10 25.382 2.198 0.727 0.888 1.000 1.000 CA 1.605 10 residues pruned to eliminate duplicates Z: 10 37.056 2.400 0.962 0.889 1.000 1.000 CA 1.888 10 residues pruned to eliminate duplicates Z: 40 50.240 2.237 0.988 0.662 0.949 0.744 CB 1.641 40 residues pruned to eliminate duplicates Z: 44 58.691 2.302 0.916 0.715 1.000 0.791 CB 1.670 44 residues pruned to eliminate duplicates Z: 130 91.470 2.309 1.029 0.621 0.946 0.682 CB 1.621 130 residues pruned to eliminate duplicates Z: 10 25.201 2.096 0.892 0.872 1.000 0.889 CA 1.544 10 residues pruned to eliminate duplicates Z: 27 26.539 2.245 1.028 0.456 0.769 0.615 CB 1.555 27 residues pruned to eliminate duplicates Z: 10 38.052 2.360 1.124 0.902 1.000 0.778 CA 1.804 10 residues pruned to eliminate duplicates Z: 17 28.038 2.201 0.485 0.853 1.000 0.875 CB 1.585 17 residues pruned to eliminate duplicates Z: 42 57.430 2.327 1.064 0.628 0.976 0.732 CB 1.698 42 residues pruned to eliminate duplicates Z: 25 64.506 2.438 1.072 0.947 1.000 0.875 CB 1.802 25 residues pruned to eliminate duplicates Z: 109 93.944 2.319 1.124 0.671 0.963 0.787 CB 1.628 109 residues pruned to eliminate duplicates Z: 23 22.802 2.082 1.001 0.650 0.864 0.773 CB 1.174 23 residues pruned to eliminate duplicates Z: 136 85.375 2.267 1.008 0.600 0.911 0.696 CB 1.610 144 residues pruned to eliminate duplicates Z: 9 18.148 2.075 0.926 0.609 1.000 0.750 CB 1.448 10 residues pruned to eliminate duplicates Z: 68 65.949 2.260 1.130 0.623 0.925 0.687 CB 1.610 68 residues pruned to eliminate duplicates Z: 16 29.482 2.182 0.735 0.917 0.933 0.867 CB 1.520 16 residues pruned to eliminate duplicates Z: 29 25.903 2.166 0.996 0.448 0.821 0.571 CB 1.453 29 residues pruned to eliminate duplicates Z: 123 95.516 2.349 1.088 0.625 0.943 0.713 CB 1.663 123 residues pruned to eliminate duplicates Z: 6 2.830 1.393 0.433 0.454 0.800 0.400 CB 0.831 6 residues pruned to eliminate duplicates Z: 15 17.909 1.918 1.218 0.355 0.857 0.500 CA 1.536 15 residues pruned to eliminate duplicates Z: 39 45.999 2.218 1.007 0.636 0.921 0.737 CB 1.602 39 residues pruned to eliminate duplicates Z: 40 66.276 2.302 1.321 0.747 0.974 0.846 CB 1.634 40 residues pruned to eliminate duplicates Z: 6 6.183 1.540 1.075 0.450 0.800 0.600 CB 1.139 6 residues pruned to eliminate duplicates Z: 64 60.840 2.287 1.014 0.613 0.921 0.698 CB 1.625 64 residues pruned to eliminate duplicates Z: 10 23.953 2.353 1.628 0.555 0.778 0.778 CB 1.573 10 residues pruned to eliminate duplicates Z: 16 26.681 2.186 0.681 0.874 0.933 0.933 CB 1.461 16 residues pruned to eliminate duplicates Z: 70 72.863 2.301 1.153 0.632 0.942 0.667 CB 1.661 70 residues pruned to eliminate duplicates Z: 105 78.831 2.252 1.071 0.608 0.933 0.683 CB 1.603 105 residues pruned to eliminate duplicates Z: 16 33.661 2.229 0.796 0.875 1.000 0.800 CB 1.579 16 residues pruned to eliminate duplicates Z: 55 57.558 2.293 0.945 0.624 0.963 0.685 CB 1.622 55 residues pruned to eliminate duplicates Z: 24 22.801 1.868 0.863 0.673 0.957 0.609 CB 1.218 24 residues pruned to eliminate duplicates Z: 7 10.581 1.943 0.890 0.636 0.833 0.833 CB 1.242 7 residues pruned to eliminate duplicates Z: 25 72.628 2.380 1.354 0.943 1.000 0.917 C 1.834 25 residues pruned to eliminate duplicates Z: 14 14.190 2.086 0.883 0.480 0.846 0.615 CB 1.208 14 residues pruned to eliminate duplicates Z: 7 10.557 1.972 0.554 0.658 1.000 0.500 CB 1.214 7 residues pruned to eliminate duplicates Z: 97 88.945 2.289 1.161 0.631 0.938 0.688 CB 1.730 97 residues pruned to eliminate duplicates Z: 26 63.542 2.313 1.163 0.935 1.000 0.920 CB 1.770 26 residues pruned to eliminate duplicates Z: 9 16.422 1.989 0.924 0.851 0.875 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 25 74.322 2.382 1.410 0.937 1.000 0.875 C 1.839 25 residues pruned to eliminate duplicates Z: 39 38.738 2.235 1.185 0.518 0.921 0.711 CB 1.373 39 residues pruned to eliminate duplicates Z: 16 33.236 2.222 0.926 0.846 0.933 0.667 CB 1.596 16 residues pruned to eliminate duplicates Z: 40 56.965 2.335 1.035 0.679 0.974 0.769 CB 1.672 40 residues pruned to eliminate duplicates Z: 52 49.711 2.258 0.999 0.580 0.922 0.647 CB 1.549 52 residues pruned to eliminate duplicates Z: 26 70.167 2.352 1.374 0.952 1.000 0.840 CB 1.731 26 residues pruned to eliminate duplicates Z: 43 55.474 2.268 0.929 0.699 1.000 0.810 CB 1.632 43 residues pruned to eliminate duplicates Z: 15 40.196 2.195 0.923 0.952 1.000 1.000 CB 1.752 15 residues pruned to eliminate duplicates Z: 46 66.410 2.350 1.191 0.752 0.956 0.844 CB 1.608 46 residues pruned to eliminate duplicates Z: 40 34.185 2.109 0.920 0.448 0.897 0.590 CB 1.589 40 residues pruned to eliminate duplicates Z: 69 62.880 2.253 1.112 0.618 0.912 0.618 CB 1.572 69 residues pruned to eliminate duplicates Z: 79 62.207 2.315 1.000 0.549 0.923 0.654 CB 1.572 79 residues pruned to eliminate duplicates Z: 8 17.412 1.897 0.683 0.872 1.000 0.714 CB 1.503 8 residues pruned to eliminate duplicates Z: 9 31.135 2.325 1.062 0.875 1.000 0.875 CA 1.670 9 residues pruned to eliminate duplicates Z: 20 23.351 2.100 0.881 0.419 0.895 0.684 CB 1.650 20 residues pruned to eliminate duplicates Z: 26 67.655 2.321 1.354 0.939 1.000 0.760 CB 1.722 26 residues pruned to eliminate duplicates Z: 17 36.492 2.122 1.142 0.909 1.000 0.812 CB 1.424 17 residues pruned to eliminate duplicates Z: 87 60.656 2.282 0.995 0.541 0.860 0.651 CB 1.604 87 residues pruned to eliminate duplicates Z: 39 57.016 2.296 0.936 0.707 0.974 0.789 CB 1.770 39 residues pruned to eliminate duplicates Z: 68 64.231 2.261 1.079 0.615 0.925 0.627 CB 1.618 68 residues pruned to eliminate duplicates Z: 16 26.963 2.178 0.467 0.820 1.000 0.867 CB 1.650 16 residues pruned to eliminate duplicates Z: 47 60.601 2.288 0.979 0.713 0.978 0.761 CB 1.662 47 residues pruned to eliminate duplicates Z: 16 26.507 2.056 0.411 0.917 1.000 1.000 CB 1.665 16 residues pruned to eliminate duplicates Z: 6 14.270 2.300 0.234 0.893 1.000 0.800 CB 1.614 6 residues pruned to eliminate duplicates Z: 19 58.196 2.346 1.245 0.933 1.000 0.667 CB 1.818 19 residues pruned to eliminate duplicates Z: 25 76.768 2.454 1.271 0.965 1.000 0.917 CB 1.920 25 residues pruned to eliminate duplicates Z: 16 25.171 2.209 0.293 0.890 1.000 0.800 CB 1.637 16 residues pruned to eliminate duplicates Z: 44 53.940 2.250 1.136 0.616 0.907 0.605 CB 1.691 44 residues pruned to eliminate duplicates Z: 10 6.818 2.229 0.790 0.156 0.556 0.111 CB 1.562 10 residues pruned to eliminate duplicates Z: 130 95.968 2.298 1.128 0.624 0.946 0.705 CB 1.626 130 residues pruned to eliminate duplicates Z: 42 50.276 2.257 1.020 0.635 0.951 0.805 CB 1.596 42 residues pruned to eliminate duplicates Z: 10 42.165 2.350 1.235 0.901 1.000 0.889 CB 1.910 10 residues pruned to eliminate duplicates Z: 26 54.013 2.321 0.854 0.944 1.000 0.880 CB 1.739 26 residues pruned to eliminate duplicates Z: 47 65.497 2.309 1.016 0.703 1.000 0.804 CB 1.725 47 residues pruned to eliminate duplicates Z: 8 26.164 2.129 1.314 0.867 1.000 1.000 CB 1.468 8 residues pruned to eliminate duplicates Z: 103 74.536 2.231 1.019 0.586 0.912 0.657 CB 1.655 103 residues pruned to eliminate duplicates Z: 65 64.107 2.241 1.152 0.600 0.906 0.609 CB 1.667 65 residues pruned to eliminate duplicates Z: 7 17.563 2.002 0.852 0.767 1.000 0.667 CA 1.527 7 residues pruned to eliminate duplicates Z: 50 65.599 2.311 1.088 0.699 0.939 0.735 CB 1.726 50 residues pruned to eliminate duplicates Z: 39 51.133 2.294 0.809 0.694 0.947 0.684 CB 1.768 39 residues pruned to eliminate duplicates Z: 19 19.443 2.131 0.952 0.345 0.833 0.667 CB 1.565 19 residues pruned to eliminate duplicates Z: 7 2.867 1.703 0.531 0.319 0.667 0.500 CB 0.822 Z: 7 16.318 2.125 0.391 0.860 1.000 0.667 CA 1.657 7 residues pruned to eliminate duplicates Z: 15 44.735 2.192 1.176 0.953 1.000 0.857 C 1.725 15 residues pruned to eliminate duplicates Z: 15 28.994 2.312 0.440 0.876 1.000 0.929 CB 1.691 15 residues pruned to eliminate duplicates Z: 9 25.555 2.094 0.901 0.848 1.000 0.625 CB 1.683 9 residues pruned to eliminate duplicates Z: 39 54.918 2.297 1.086 0.701 0.947 0.684 CB 1.635 39 residues pruned to eliminate duplicates Z: 20 13.802 1.581 0.665 0.757 1.000 0.526 CB 0.958 Z: 26 70.557 2.407 1.330 0.959 0.960 0.760 CB 1.797 26 residues pruned to eliminate duplicates Z: 33 20.131 1.671 0.783 0.678 0.969 0.625 CB 1.046 53 residues pruned to eliminate duplicates Z: 26 69.131 2.359 1.327 0.947 1.000 0.800 CB 1.741 26 residues pruned to eliminate duplicates Z: 134 91.183 2.280 1.097 0.596 0.940 0.707 CB 1.605 134 residues pruned to eliminate duplicates Z: 8 14.141 1.795 0.562 0.865 1.000 0.714 CB 1.396 8 residues pruned to eliminate duplicates Z: 11 18.950 2.170 0.899 0.653 0.900 0.900 CB 1.401 11 residues pruned to eliminate duplicates Z: 70 60.630 2.222 1.035 0.658 0.913 0.710 CB 1.526 70 residues pruned to eliminate duplicates Z: 40 68.651 2.332 1.245 0.765 0.974 0.744 CB 1.703 40 residues pruned to eliminate duplicates Z: 49 53.889 2.223 1.120 0.622 0.938 0.604 CB 1.570 49 residues pruned to eliminate duplicates Z: 6 6.076 1.664 1.023 0.418 0.800 0.400 N 1.099 6 residues pruned to eliminate duplicates Z: 27 53.164 2.327 0.787 0.931 1.000 0.923 CB 1.752 27 residues pruned to eliminate duplicates Z: 9 39.623 2.427 1.184 0.898 1.000 0.875 CB 1.890 9 residues pruned to eliminate duplicates Z: 54 54.065 2.323 1.008 0.560 0.962 0.736 CB 1.560 54 residues pruned to eliminate duplicates Z: 15 36.907 2.294 0.851 0.895 1.000 0.714 CB 1.665 15 residues pruned to eliminate duplicates Z: 36 51.795 2.274 0.907 0.718 0.943 0.829 CB 1.758 36 residues pruned to eliminate duplicates Z: 59 34.718 1.883 0.784 0.554 0.948 0.586 CB 1.358 59 residues pruned to eliminate duplicates Z: 50 54.500 2.267 1.063 0.632 0.959 0.755 CB 1.533 57 residues pruned to eliminate duplicates Z: 6 10.232 2.044 0.177 0.842 1.000 0.600 CB 1.417 6 residues pruned to eliminate duplicates Z: 12 25.868 2.124 0.661 0.917 1.000 0.909 CA 1.560 12 residues pruned to eliminate duplicates Z: 144 91.039 2.293 1.104 0.594 0.923 0.657 CB 1.562 144 residues pruned to eliminate duplicates Z: 7 7.091 1.891 0.569 0.443 0.667 0.667 CA 1.551 7 residues pruned to eliminate duplicates Z: 62 60.351 2.229 1.062 0.621 0.934 0.656 CB 1.604 62 residues pruned to eliminate duplicates Z: 38 50.033 2.342 0.886 0.659 0.919 0.676 CB 1.748 38 residues pruned to eliminate duplicates Z: 16 41.466 2.084 1.160 0.949 1.000 0.867 C 1.642 16 residues pruned to eliminate duplicates Z: 27 65.501 2.351 1.212 0.947 1.000 0.808 CB 1.707 27 residues pruned to eliminate duplicates Z: 79 74.573 2.287 1.164 0.614 0.974 0.718 CB 1.571 79 residues pruned to eliminate duplicates Z: 46 59.667 2.336 0.938 0.666 1.000 0.778 CB 1.684 46 residues pruned to eliminate duplicates Z: 37 35.466 2.155 0.805 0.583 0.944 0.722 CB 1.486 37 residues pruned to eliminate duplicates Z: 16 33.364 2.339 0.523 0.867 1.000 0.867 CB 1.769 16 residues pruned to eliminate duplicates Z: 14 34.867 2.171 0.956 0.930 1.000 0.846 CB 1.593 14 residues pruned to eliminate duplicates Z: 34 30.290 2.138 0.863 0.424 0.909 0.515 CB 1.577 34 residues pruned to eliminate duplicates Z: 25 62.129 2.354 1.225 0.945 1.000 0.875 CB 1.675 25 residues pruned to eliminate duplicates Z: 21 30.979 2.135 0.841 0.646 0.950 0.800 CB 1.619 21 residues pruned to eliminate duplicates Z: 55 74.873 2.397 1.211 0.662 0.926 0.778 CB 1.788 55 residues pruned to eliminate duplicates Z: 7 7.282 1.921 -0.027 0.776 0.833 0.667 CB 1.495 7 residues pruned to eliminate duplicates Z: 16 29.842 2.099 0.859 0.871 0.933 0.800 CB 1.544 16 residues pruned to eliminate duplicates Z: 11 14.856 1.856 0.670 0.747 1.000 0.800 CB 1.215 Z: 100 72.302 2.239 1.109 0.582 0.939 0.646 CB 1.514 100 residues pruned to eliminate duplicates Z: 10 21.413 2.046 1.176 0.742 0.889 0.778 CA 1.452 10 residues pruned to eliminate duplicates Z: 20 8.248 1.409 0.321 0.768 1.000 0.842 CB 0.802 Z: 16 36.961 2.117 0.813 0.950 1.000 1.000 CA 1.715 16 residues pruned to eliminate duplicates Z: 17 27.731 2.170 0.543 0.871 1.000 0.875 CB 1.510 17 residues pruned to eliminate duplicates Z: 22 19.053 2.058 0.648 0.466 0.810 0.524 CB 1.568 22 residues pruned to eliminate duplicates Z: 25 67.471 2.374 1.209 0.928 1.000 0.875 C 1.840 25 residues pruned to eliminate duplicates Z: 64 55.522 2.197 0.984 0.573 0.968 0.730 CB 1.544 64 residues pruned to eliminate duplicates Z: 26 63.226 2.407 1.097 0.956 0.960 0.920 CB 1.792 26 residues pruned to eliminate duplicates Z: 6 8.759 1.717 1.308 0.586 0.800 0.600 CB 1.138 6 residues pruned to eliminate duplicates Z: 38 52.148 2.276 1.013 0.659 0.973 0.676 CB 1.659 38 residues pruned to eliminate duplicates Z: 8 2.925 1.522 0.596 0.323 0.714 0.571 CB 0.773 Z: 131 92.035 2.301 1.048 0.621 0.954 0.715 CB 1.603 131 residues pruned to eliminate duplicates Z: 131 93.232 2.287 1.091 0.610 0.962 0.723 CB 1.602 131 residues pruned to eliminate duplicates Z: 14 6.775 1.410 0.398 0.669 1.000 0.692 CB 0.815 14 residues pruned to eliminate duplicates Z: 38 42.145 2.305 1.156 0.544 0.973 0.676 CB 1.372 38 residues pruned to eliminate duplicates Z: 14 19.293 2.126 1.080 0.354 0.846 0.538 CA 1.675 14 residues pruned to eliminate duplicates Z: 25 73.649 2.366 1.459 0.949 1.000 0.792 C 1.784 25 residues pruned to eliminate duplicates Z: 10 23.848 2.280 1.210 0.567 0.889 0.778 CA 1.663 10 residues pruned to eliminate duplicates Z: 27 21.492 1.704 0.739 0.732 1.000 0.654 CB 1.154 58 residues pruned to eliminate duplicates Z: 7 8.557 1.545 0.504 0.865 1.000 0.833 CB 1.101 Z: 16 45.711 2.099 1.247 0.949 1.000 0.667 C 1.727 16 residues pruned to eliminate duplicates Z: 25 25.758 2.096 0.815 0.481 1.000 0.583 CB 1.408 25 residues pruned to eliminate duplicates Z: 45 47.306 2.120 0.830 0.600 0.977 0.795 CB 1.710 45 residues pruned to eliminate duplicates Z: 38 50.699 2.201 0.922 0.689 0.973 0.838 CB 1.704 38 residues pruned to eliminate duplicates Z: 51 53.671 2.248 0.890 0.625 0.980 0.800 CB 1.621 51 residues pruned to eliminate duplicates Z: 8 9.887 1.819 0.822 0.645 0.857 0.429 CB 1.150 8 residues pruned to eliminate duplicates Z: 46 63.184 2.349 0.990 0.680 1.000 0.800 CB 1.708 46 residues pruned to eliminate duplicates Z: 7 17.997 2.060 0.654 0.867 1.000 0.667 C 1.578 7 residues pruned to eliminate duplicates Z: 52 53.538 2.273 0.988 0.577 0.961 0.706 CB 1.603 60 residues pruned to eliminate duplicates Z: 7 6.167 1.505 0.222 0.850 1.000 0.667 CB 1.014 7 residues pruned to eliminate duplicates Z: 51 44.740 2.224 0.925 0.555 0.920 0.700 CB 1.523 51 residues pruned to eliminate duplicates Z: 48 49.658 2.303 0.964 0.625 0.957 0.745 CB 1.487 48 residues pruned to eliminate duplicates Z: 19 20.125 2.091 0.820 0.569 0.889 0.667 CB 1.312 19 residues pruned to eliminate duplicates Z: 34 38.965 2.188 0.763 0.613 0.970 0.727 CB 1.630 34 residues pruned to eliminate duplicates Z: 32 59.182 2.336 1.283 0.712 0.968 0.710 CB 1.699 32 residues pruned to eliminate duplicates Z: 26 65.021 2.407 1.190 0.956 0.960 0.800 CB 1.765 26 residues pruned to eliminate duplicates Z: 32 15.197 1.545 0.619 0.670 0.968 0.645 CB 0.964 Z: 35 58.325 2.347 1.132 0.800 0.882 0.735 CB 1.742 35 residues pruned to eliminate duplicates Z: 27 66.688 2.272 1.438 0.928 0.962 0.885 CB 1.720 27 residues pruned to eliminate duplicates Z: 29 31.606 2.285 0.873 0.471 0.857 0.643 CB 1.677 29 residues pruned to eliminate duplicates Z: 40 37.639 2.269 0.768 0.514 0.897 0.538 CB 1.651 40 residues pruned to eliminate duplicates Z: 27 20.982 1.716 0.975 0.719 0.923 0.769 CB 1.079 59 residues pruned to eliminate duplicates Z: 26 58.035 2.331 0.983 0.917 1.000 0.760 CB 1.772 26 residues pruned to eliminate duplicates Z: 26 24.625 2.166 0.695 0.392 0.920 0.480 CB 1.634 26 residues pruned to eliminate duplicates Z: 27 63.854 2.335 1.128 0.928 1.000 0.769 CB 1.765 27 residues pruned to eliminate duplicates Z: 13 9.291 1.970 0.490 0.273 0.917 0.417 CB 1.289 13 residues pruned to eliminate duplicates Z: 27 67.284 2.246 1.450 0.930 1.000 0.808 CB 1.677 27 residues pruned to eliminate duplicates Z: 6 3.433 1.593 0.279 0.867 0.800 0.600 CB 0.689 6 residues pruned to eliminate duplicates Z: 33 67.586 2.310 1.334 0.747 1.000 0.781 CB 1.777 38 residues pruned to eliminate duplicates Z: 61 65.072 2.315 1.079 0.638 0.933 0.650 CB 1.643 61 residues pruned to eliminate duplicates Z: 33 41.383 2.170 0.834 0.666 1.000 0.812 CB 1.577 33 residues pruned to eliminate duplicates Z: 10 28.357 2.186 0.982 0.868 1.000 0.667 CA 1.594 10 residues pruned to eliminate duplicates Z: 35 47.954 2.285 0.970 0.643 1.000 0.794 CB 1.599 35 residues pruned to eliminate duplicates Z: 105 91.641 2.343 1.036 0.682 0.981 0.788 CB 1.624 105 residues pruned to eliminate duplicates Z: 25 72.640 2.336 1.406 0.950 1.000 0.875 C 1.819 25 residues pruned to eliminate duplicates Z: 39 38.126 2.260 0.928 0.496 0.868 0.500 CB 1.641 39 residues pruned to eliminate duplicates Z: 33 39.935 2.210 0.766 0.604 0.969 0.656 CB 1.690 33 residues pruned to eliminate duplicates Z: 13 18.074 2.045 0.978 0.638 0.833 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 68 63.844 2.288 1.131 0.573 0.925 0.672 CB 1.612 68 residues pruned to eliminate duplicates Z: 11 15.947 1.861 0.706 0.634 1.000 0.800 C 1.402 11 residues pruned to eliminate duplicates Z: 18 23.239 2.150 0.784 0.589 0.882 0.588 C 1.529 18 residues pruned to eliminate duplicates Z: 14 21.476 2.074 1.304 0.425 0.846 0.462 CB 1.593 14 residues pruned to eliminate duplicates Z: 66 71.505 2.321 1.166 0.609 0.938 0.708 CB 1.694 66 residues pruned to eliminate duplicates Z: 71 78.175 2.304 1.048 0.708 0.971 0.771 CB 1.688 71 residues pruned to eliminate duplicates Z: 56 61.077 2.346 0.964 0.605 0.927 0.636 CB 1.744 56 residues pruned to eliminate duplicates Z: 81 82.963 2.309 1.158 0.671 0.950 0.663 CB 1.674 81 residues pruned to eliminate duplicates Z: 25 70.352 2.456 1.149 0.943 1.000 0.833 CB 1.885 25 residues pruned to eliminate duplicates Z: 18 44.558 2.139 1.460 0.917 0.941 0.765 CB 1.540 18 residues pruned to eliminate duplicates Z: 6 2.252 1.339 0.411 0.395 0.800 0.800 N 0.745 Z: 50 58.366 2.261 0.938 0.634 0.980 0.776 CB 1.713 50 residues pruned to eliminate duplicates Z: 38 50.927 2.335 0.906 0.682 0.946 0.649 CB 1.683 33 residues pruned to eliminate duplicates Z: 10 21.776 2.166 1.065 0.628 0.889 0.778 CB 1.618 10 residues pruned to eliminate duplicates Z: 17 24.754 2.102 0.446 0.860 1.000 0.750 CB 1.497 17 residues pruned to eliminate duplicates Z: 88 68.934 2.250 1.132 0.605 0.931 0.632 CB 1.497 88 residues pruned to eliminate duplicates Z: 27 25.271 2.070 0.808 0.406 0.923 0.577 CB 1.582 27 residues pruned to eliminate duplicates Z: 8 6.803 1.660 0.606 0.498 0.857 0.857 CA 1.127 8 residues pruned to eliminate duplicates Z: 27 54.469 2.268 1.065 0.922 1.000 0.808 CB 1.603 27 residues pruned to eliminate duplicates Z: 37 57.446 2.249 0.972 0.753 1.000 0.833 CB 1.723 37 residues pruned to eliminate duplicates Z: 172 103.121 2.294 1.024 0.605 0.947 0.690 CB 1.623 172 residues pruned to eliminate duplicates Z: 20 55.898 2.305 1.218 0.932 1.000 0.684 CB 1.752 20 residues pruned to eliminate duplicates Z: 21 37.615 2.233 0.988 0.646 0.950 0.850 CB 1.741 21 residues pruned to eliminate duplicates Z: 26 21.415 2.046 0.726 0.383 0.920 0.560 CB 1.493 26 residues pruned to eliminate duplicates Z: 6 4.094 1.167 1.162 0.574 0.800 0.800 CB 0.845 Z: 15 19.423 2.212 0.961 0.341 0.929 0.500 CB 1.532 15 residues pruned to eliminate duplicates Z: 6 5.693 1.708 0.393 0.668 1.000 1.000 CB 0.917 Z: 30 29.856 2.134 0.710 0.557 0.966 0.586 CB 1.489 30 residues pruned to eliminate duplicates Z: 80 75.140 2.225 1.043 0.674 0.975 0.734 CB 1.625 80 residues pruned to eliminate duplicates Z: 25 36.872 2.226 0.910 0.683 0.958 0.875 CB 1.562 25 residues pruned to eliminate duplicates Z: 10 14.111 1.864 0.995 0.538 0.889 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 141 92.906 2.271 1.093 0.600 0.950 0.714 CB 1.581 141 residues pruned to eliminate duplicates Z: 83 65.270 2.270 1.096 0.603 0.902 0.707 CB 1.522 83 residues pruned to eliminate duplicates Z: 76 56.277 2.224 0.909 0.595 0.920 0.720 CB 1.520 83 residues pruned to eliminate duplicates Z: 19 41.227 2.293 1.124 0.738 0.944 0.722 CB 1.706 19 residues pruned to eliminate duplicates Z: 74 72.742 2.290 1.125 0.659 0.959 0.781 CB 1.573 74 residues pruned to eliminate duplicates Z: 22 26.677 2.144 1.226 0.447 0.857 0.571 CB 1.503 22 residues pruned to eliminate duplicates Z: 27 24.961 2.071 0.798 0.390 0.923 0.538 CB 1.601 27 residues pruned to eliminate duplicates Z: 14 12.677 2.035 0.373 0.411 0.923 0.385 CB 1.497 14 residues pruned to eliminate duplicates Z: 14 10.013 1.906 0.617 0.328 0.923 0.538 CB 1.179 Z: 28 41.695 2.265 0.614 0.747 0.963 0.704 CA 1.828 28 residues pruned to eliminate duplicates Z: 16 19.246 2.009 0.872 0.545 1.000 0.467 CB 1.264 16 residues pruned to eliminate duplicates Z: 18 21.004 2.024 0.404 0.823 0.941 0.765 CB 1.440 18 residues pruned to eliminate duplicates Z: 17 33.519 2.154 0.895 0.772 0.938 0.875 CA 1.721 17 residues pruned to eliminate duplicates Z: 45 66.142 2.331 1.129 0.726 0.955 0.773 CB 1.717 45 residues pruned to eliminate duplicates Z: 26 67.782 2.413 1.161 0.961 1.000 0.840 CB 1.779 26 residues pruned to eliminate duplicates Z: 54 57.709 2.233 0.995 0.662 0.925 0.698 CB 1.656 54 residues pruned to eliminate duplicates Z: 7 6.076 1.543 0.718 0.499 0.833 0.500 CA 1.123 7 residues pruned to eliminate duplicates Z: 6 3.632 1.508 0.725 0.429 1.000 0.800 CA 0.672 6 residues pruned to eliminate duplicates Z: 7 2.179 1.422 0.041 0.244 0.667 0.500 CA 1.212 6 1.900 1.466 0.115 0.358 0.800 0.200 CB 0.757 ? 316 residues left after pruning, divided into chains as follows: A: 307 B: 9 CC for partial structure against native data = 44.88 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.482, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.552, Connect. = 0.789 for dens.mod. cycle 2 = 0.300, Contrast = 0.654, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.659, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.667, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.669, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.671, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.671, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.672, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.671, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2708 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: 26 69.200 2.448 1.054 0.941 1.000 0.920 CB 1.909 B: 29 60.139 2.342 1.041 0.931 0.964 0.786 CB 1.723 C: 25 80.387 2.552 1.201 0.959 1.000 1.000 CB 2.002 29 residues pruned to eliminate duplicates D: 49 62.670 2.373 1.196 0.628 0.896 0.729 CB 1.719 E: 26 69.622 2.495 1.157 0.953 0.960 0.800 CB 1.855 26 residues pruned to eliminate duplicates F: 27 58.950 2.379 1.002 0.898 0.923 0.769 CB 1.881 27 residues pruned to eliminate duplicates G: 24 66.674 2.495 0.977 0.938 1.000 0.957 C 1.960 24 residues pruned to eliminate duplicates H: 26 69.782 2.427 1.171 0.928 1.000 0.880 C 1.856 27 residues pruned to eliminate duplicates I: 25 67.890 2.501 1.072 0.938 0.958 0.917 C 1.941 25 residues pruned to eliminate duplicates J: 27 55.777 2.376 0.921 0.901 0.962 0.769 CB 1.779 25 residues pruned to eliminate duplicates K: 25 72.122 2.492 1.034 0.951 1.000 0.958 C 2.002 27 residues pruned to eliminate duplicates L: 11 28.680 2.566 1.364 0.499 0.800 0.700 CB 1.870 M: 26 68.552 2.497 1.059 0.953 1.000 0.920 CB 1.836 26 residues pruned to eliminate duplicates N: 24 72.864 2.505 1.103 0.925 1.000 0.957 C 2.025 25 residues pruned to eliminate duplicates O: 28 57.103 2.349 0.928 0.912 0.963 0.667 CB 1.785 28 residues pruned to eliminate duplicates P: 22 54.864 2.425 0.911 0.947 1.000 0.857 CB 1.785 22 residues pruned to eliminate duplicates Q: 13 20.809 2.329 1.052 0.448 0.750 0.583 CB 1.768 11 residues pruned to eliminate duplicates R: 25 80.154 2.542 1.195 0.955 1.000 0.917 CB 2.015 25 residues pruned to eliminate duplicates S: 25 74.675 2.510 1.313 0.946 0.958 0.792 C 1.894 24 residues pruned to eliminate duplicates T: 10 32.275 2.412 0.857 0.832 1.000 0.778 CA 1.803 U: 27 62.250 2.351 0.986 0.899 1.000 0.846 CB 1.868 27 residues pruned to eliminate duplicates V: 81 73.278 2.389 0.999 0.582 0.900 0.637 CB 1.761 36 residues pruned to eliminate duplicates W: 26 60.127 2.489 0.800 0.947 1.000 0.880 CB 1.856 26 residues pruned to eliminate duplicates X: 26 67.307 2.477 1.069 0.940 0.960 0.800 CB 1.899 26 residues pruned to eliminate duplicates Y: 6 5.148 2.073 0.148 0.610 0.800 0.800 CB 1.090 6 residues pruned to eliminate duplicates Z: 53 56.016 2.338 0.825 0.587 0.981 0.788 CB 1.708 10 residues pruned to eliminate duplicates Z: 42 35.280 2.246 0.885 0.392 0.902 0.463 CB 1.617 42 residues pruned to eliminate duplicates Z: 28 64.783 2.343 1.048 0.944 1.000 0.889 CB 1.800 26 residues pruned to eliminate duplicates Z: 17 28.912 2.177 0.419 0.905 0.938 0.875 CA 1.776 17 residues pruned to eliminate duplicates Z: 25 66.727 2.494 1.012 0.947 1.000 0.875 C 1.876 25 residues pruned to eliminate duplicates Z: 21 30.287 2.354 0.934 0.453 0.850 0.400 CB 1.836 21 residues pruned to eliminate duplicates Z: 15 39.933 2.286 0.785 0.923 1.000 0.929 C 1.837 15 residues pruned to eliminate duplicates Z: 25 72.958 2.502 1.213 0.944 1.000 0.958 C 1.863 25 residues pruned to eliminate duplicates Z: 9 31.017 2.549 0.676 0.860 1.000 1.000 CA 1.888 9 residues pruned to eliminate duplicates Z: 39 63.870 2.370 1.147 0.694 0.947 0.737 CB 1.800 39 residues pruned to eliminate duplicates Z: 75 77.403 2.410 1.035 0.604 0.946 0.730 CB 1.757 47 residues pruned to eliminate duplicates Z: 25 71.302 2.499 1.114 0.944 1.000 0.833 C 1.909 25 residues pruned to eliminate duplicates Z: 60 54.989 2.316 0.650 0.593 0.966 0.729 CB 1.774 24 residues pruned to eliminate duplicates Z: 27 63.493 2.425 0.939 0.921 1.000 0.808 CB 1.863 27 residues pruned to eliminate duplicates Z: 10 38.005 2.390 1.118 0.896 1.000 0.889 CA 1.793 10 residues pruned to eliminate duplicates Z: 11 29.645 2.276 0.710 0.816 1.000 0.900 CA 1.829 11 residues pruned to eliminate duplicates Z: 126 105.246 2.419 0.992 0.613 0.968 0.712 CB 1.814 125 residues pruned to eliminate duplicates Z: 9 36.648 2.595 0.742 0.906 1.000 1.000 CA 2.038 9 residues pruned to eliminate duplicates Z: 28 66.643 2.387 1.069 0.934 1.000 0.926 CB 1.811 28 residues pruned to eliminate duplicates Z: 26 66.437 2.466 1.046 0.922 0.960 0.920 CB 1.929 26 residues pruned to eliminate duplicates Z: 10 30.532 2.346 0.692 0.880 1.000 0.778 CB 1.859 10 residues pruned to eliminate duplicates Z: 126 99.712 2.409 0.967 0.623 0.936 0.744 CB 1.791 126 residues pruned to eliminate duplicates Z: 38 66.760 2.406 1.234 0.686 0.946 0.811 CB 1.820 38 residues pruned to eliminate duplicates Z: 36 80.228 2.466 1.337 0.705 1.000 0.800 CB 1.953 49 residues pruned to eliminate duplicates Z: 106 95.225 2.407 0.923 0.661 0.962 0.790 CB 1.797 107 residues pruned to eliminate duplicates Z: 11 19.989 2.379 1.308 0.442 0.800 0.700 CB 1.527 Z: 37 62.412 2.439 1.095 0.666 0.944 0.667 CB 1.849 37 residues pruned to eliminate duplicates Z: 67 64.562 2.374 0.986 0.604 0.909 0.682 CB 1.679 27 residues pruned to eliminate duplicates Z: 16 32.897 2.216 0.512 0.934 1.000 0.933 CA 1.767 16 residues pruned to eliminate duplicates Z: 16 44.265 2.414 0.920 0.857 1.000 0.867 CB 1.817 16 residues pruned to eliminate duplicates Z: 15 36.767 2.314 0.581 0.946 1.000 1.000 CA 1.858 15 residues pruned to eliminate duplicates Z: 27 72.559 2.410 1.284 0.947 0.962 0.808 CB 1.858 27 residues pruned to eliminate duplicates Z: 26 65.742 2.491 0.983 0.951 0.960 0.800 CB 1.910 26 residues pruned to eliminate duplicates Z: 125 99.644 2.432 0.897 0.635 0.952 0.766 CB 1.797 125 residues pruned to eliminate duplicates Z: 28 65.917 2.367 1.053 0.929 1.000 0.852 CB 1.826 28 residues pruned to eliminate duplicates Z: 53 50.621 2.275 0.760 0.595 0.962 0.769 CB 1.665 53 residues pruned to eliminate duplicates Z: 25 75.945 2.491 1.326 0.947 1.000 0.875 C 1.850 25 residues pruned to eliminate duplicates Z: 15 48.809 2.466 0.965 0.904 1.000 0.786 CB 1.918 15 residues pruned to eliminate duplicates Z: 25 80.841 2.516 1.406 0.939 1.000 0.833 C 1.895 25 residues pruned to eliminate duplicates Z: 15 18.378 2.358 0.841 0.387 0.786 0.500 CB 1.625 17 residues pruned to eliminate duplicates Z: 51 64.866 2.414 0.916 0.648 0.960 0.800 CB 1.799 53 residues pruned to eliminate duplicates Z: 16 39.025 2.240 0.791 0.942 1.000 0.733 CB 1.742 16 residues pruned to eliminate duplicates Z: 27 50.086 2.417 0.653 0.946 0.962 0.923 CB 1.769 27 residues pruned to eliminate duplicates Z: 17 32.520 2.240 0.837 0.862 0.875 0.625 CB 1.658 17 residues pruned to eliminate duplicates Z: 68 63.191 2.343 0.890 0.635 0.940 0.687 CB 1.634 69 residues pruned to eliminate duplicates Z: 17 32.081 2.313 0.564 0.862 0.938 0.875 CB 1.737 17 residues pruned to eliminate duplicates Z: 27 69.533 2.399 1.116 0.930 1.000 0.769 CB 1.879 27 residues pruned to eliminate duplicates Z: 9 23.985 2.268 0.581 0.825 1.000 0.750 CA 1.785 9 residues pruned to eliminate duplicates Z: 47 68.498 2.449 1.155 0.616 0.935 0.652 CB 1.834 47 residues pruned to eliminate duplicates Z: 25 74.142 2.478 1.245 0.937 1.000 0.875 C 1.893 25 residues pruned to eliminate duplicates Z: 15 36.227 2.310 0.579 0.939 1.000 1.000 CA 1.846 15 residues pruned to eliminate duplicates Z: 10 24.453 2.348 0.472 0.861 1.000 1.000 CB 1.732 10 residues pruned to eliminate duplicates Z: 24 69.778 2.506 1.103 0.932 1.000 0.870 C 1.928 24 residues pruned to eliminate duplicates Z: 16 46.622 2.390 0.958 0.871 1.000 0.800 CB 1.876 16 residues pruned to eliminate duplicates Z: 38 72.546 2.397 1.198 0.704 1.000 0.703 CB 1.881 38 residues pruned to eliminate duplicates Z: 27 69.916 2.431 1.027 0.951 1.000 0.923 CB 1.918 27 residues pruned to eliminate duplicates Z: 7 15.727 2.216 0.279 0.847 1.000 0.333 CA 1.682 7 residues pruned to eliminate duplicates Z: 19 21.878 2.254 1.134 0.466 0.833 0.556 CB 1.331 17 residues pruned to eliminate duplicates Z: 9 34.742 2.439 0.901 0.897 1.000 1.000 C 1.896 9 residues pruned to eliminate duplicates Z: 44 59.383 2.436 0.948 0.698 0.930 0.744 CB 1.712 44 residues pruned to eliminate duplicates Z: 15 31.951 2.441 0.323 0.934 1.000 1.000 CB 1.844 15 residues pruned to eliminate duplicates Z: 31 60.826 2.358 1.226 0.693 0.967 0.767 CB 1.835 31 residues pruned to eliminate duplicates Z: 16 35.600 2.228 0.640 0.918 1.000 0.867 CB 1.774 16 residues pruned to eliminate duplicates Z: 54 51.576 2.268 0.818 0.599 0.943 0.679 CB 1.658 54 residues pruned to eliminate duplicates Z: 10 30.301 2.329 0.914 0.907 1.000 0.889 C 1.610 10 residues pruned to eliminate duplicates Z: 27 65.897 2.380 1.054 0.912 1.000 0.846 C 1.872 27 residues pruned to eliminate duplicates Z: 17 28.802 2.276 0.332 0.902 1.000 0.938 CA 1.694 17 residues pruned to eliminate duplicates Z: 16 36.067 2.453 0.446 0.876 1.000 0.867 CA 1.907 16 residues pruned to eliminate duplicates Z: 16 36.044 2.299 0.673 0.872 1.000 0.733 CB 1.764 16 residues pruned to eliminate duplicates Z: 53 49.159 2.288 0.727 0.576 0.962 0.750 CB 1.666 53 residues pruned to eliminate duplicates Z: 16 33.287 2.388 0.432 0.865 1.000 0.867 CB 1.841 16 residues pruned to eliminate duplicates Z: 7 15.041 2.139 0.328 0.864 1.000 0.667 CB 1.584 7 residues pruned to eliminate duplicates Z: 53 54.769 2.325 0.748 0.606 0.981 0.712 CB 1.723 53 residues pruned to eliminate duplicates Z: 16 33.010 2.421 0.418 0.869 1.000 0.867 CB 1.814 16 residues pruned to eliminate duplicates Z: 27 66.833 2.430 1.049 0.927 1.000 0.885 CB 1.845 27 residues pruned to eliminate duplicates Z: 17 20.740 1.924 0.960 0.602 0.938 0.562 CB 1.331 Z: 10 35.422 2.342 0.932 0.919 1.000 1.000 C 1.839 10 residues pruned to eliminate duplicates Z: 68 66.833 2.343 0.870 0.609 0.970 0.687 CB 1.732 68 residues pruned to eliminate duplicates Z: 12 21.738 2.372 1.179 0.456 0.818 0.636 CB 1.622 12 residues pruned to eliminate duplicates Z: 8 10.968 1.955 0.218 0.785 1.000 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 24 61.160 2.449 1.092 0.914 0.957 0.826 C 1.840 24 residues pruned to eliminate duplicates Z: 27 59.242 2.328 0.962 0.913 1.000 0.808 CB 1.801 27 residues pruned to eliminate duplicates Z: 15 24.604 2.324 1.410 0.417 0.714 0.571 CB 1.792 15 residues pruned to eliminate duplicates Z: 81 64.625 2.249 1.048 0.613 0.913 0.675 CB 1.545 71 residues pruned to eliminate duplicates Z: 7 30.503 2.586 0.626 0.874 1.000 0.833 CA 2.155 7 residues pruned to eliminate duplicates Z: 17 30.598 2.297 0.356 0.915 1.000 0.812 CB 1.735 17 residues pruned to eliminate duplicates Z: 25 79.746 2.549 1.203 0.943 1.000 0.833 C 2.008 25 residues pruned to eliminate duplicates Z: 27 70.231 2.372 1.296 0.906 0.962 0.808 C 1.871 27 residues pruned to eliminate duplicates Z: 26 67.773 2.465 1.082 0.939 0.960 0.880 CB 1.912 26 residues pruned to eliminate duplicates Z: 27 59.610 2.374 0.935 0.926 0.962 0.885 CB 1.856 27 residues pruned to eliminate duplicates Z: 15 34.284 2.298 0.465 0.935 1.000 1.000 C 1.897 15 residues pruned to eliminate duplicates Z: 45 51.995 2.313 0.741 0.656 0.955 0.682 CB 1.764 45 residues pruned to eliminate duplicates Z: 17 27.727 2.204 0.510 0.884 0.938 0.812 CB 1.605 17 residues pruned to eliminate duplicates Z: 27 65.535 2.386 1.104 0.914 0.962 0.846 C 1.883 27 residues pruned to eliminate duplicates Z: 25 67.258 2.481 1.210 0.930 0.958 0.833 C 1.826 25 residues pruned to eliminate duplicates Z: 25 62.742 2.503 0.866 0.920 1.000 0.875 CB 1.930 25 residues pruned to eliminate duplicates Z: 37 69.344 2.436 1.102 0.692 1.000 0.694 CB 1.893 37 residues pruned to eliminate duplicates Z: 27 64.866 2.407 1.028 0.940 1.000 0.808 CB 1.811 27 residues pruned to eliminate duplicates Z: 15 36.782 2.282 0.672 0.921 1.000 0.857 C 1.813 15 residues pruned to eliminate duplicates Z: 16 41.974 2.370 0.795 0.931 1.000 0.867 CB 1.780 16 residues pruned to eliminate duplicates Z: 9 22.605 2.296 0.436 0.901 1.000 1.000 CB 1.729 9 residues pruned to eliminate duplicates Z: 16 51.607 2.386 1.035 0.918 1.000 0.667 CB 1.936 16 residues pruned to eliminate duplicates Z: 15 35.068 2.415 0.554 0.905 1.000 0.929 CB 1.778 15 residues pruned to eliminate duplicates Z: 27 62.076 2.428 0.983 0.927 0.962 0.808 CB 1.843 27 residues pruned to eliminate duplicates Z: 8 15.922 2.110 0.485 0.748 1.000 0.571 CB 1.540 8 residues pruned to eliminate duplicates Z: 79 67.441 2.388 1.047 0.585 0.872 0.615 CB 1.652 79 residues pruned to eliminate duplicates Z: 67 63.386 2.370 0.956 0.598 0.909 0.682 CB 1.687 67 residues pruned to eliminate duplicates Z: 64 63.176 2.356 0.948 0.643 0.921 0.698 CB 1.648 64 residues pruned to eliminate duplicates Z: 11 20.003 2.221 0.847 0.726 0.800 0.700 C 1.573 11 residues pruned to eliminate duplicates Z: 18 17.489 1.942 0.866 0.527 0.941 0.706 CB 1.211 18 residues pruned to eliminate duplicates Z: 10 22.739 2.391 1.345 0.557 0.778 0.667 CB 1.644 10 residues pruned to eliminate duplicates Z: 28 71.479 2.335 1.224 0.931 1.000 0.815 CB 1.851 28 residues pruned to eliminate duplicates Z: 21 27.355 2.349 1.015 0.420 0.750 0.300 CB 1.874 21 residues pruned to eliminate duplicates Z: 15 34.485 2.230 0.950 0.865 0.929 0.929 C 1.672 15 residues pruned to eliminate duplicates Z: 37 65.096 2.401 1.101 0.709 0.917 0.694 CB 1.941 37 residues pruned to eliminate duplicates Z: 42 59.445 2.336 0.923 0.696 1.000 0.854 CB 1.727 42 residues pruned to eliminate duplicates Z: 25 74.113 2.479 1.305 0.933 1.000 0.750 C 1.848 25 residues pruned to eliminate duplicates Z: 17 18.458 2.070 0.794 0.487 0.750 0.562 CA 1.679 137 residues pruned to eliminate duplicates Z: 17 37.442 2.152 0.838 0.908 1.000 0.750 C 1.681 Z: 22 39.357 2.255 0.650 0.820 0.952 0.714 CA 1.837 17 residues pruned to eliminate duplicates Z: 15 34.141 2.289 0.495 0.943 1.000 1.000 C 1.847 15 residues pruned to eliminate duplicates Z: 21 23.750 2.201 0.979 0.393 0.950 0.600 CB 1.437 21 residues pruned to eliminate duplicates Z: 17 27.181 2.177 0.326 0.893 1.000 0.812 CB 1.689 17 residues pruned to eliminate duplicates Z: 78 72.273 2.394 0.833 0.597 0.987 0.714 CB 1.733 78 residues pruned to eliminate duplicates Z: 27 64.840 2.336 1.110 0.920 1.000 0.846 C 1.816 27 residues pruned to eliminate duplicates Z: 28 66.726 2.298 1.287 0.950 0.963 0.889 CB 1.750 Z: 16 37.640 2.250 0.717 0.931 0.933 0.933 CB 1.883 16 residues pruned to eliminate duplicates Z: 16 44.137 2.165 1.095 0.933 1.000 0.933 C 1.753 16 residues pruned to eliminate duplicates Z: 41 47.090 2.337 0.697 0.592 0.925 0.625 C 1.859 30 residues pruned to eliminate duplicates Z: 17 28.717 2.250 0.499 0.842 0.938 0.812 CB 1.692 17 residues pruned to eliminate duplicates Z: 9 24.703 2.448 0.411 0.889 1.000 1.000 CA 1.820 9 residues pruned to eliminate duplicates Z: 10 21.576 2.433 1.181 0.552 0.778 0.778 CB 1.656 Z: 10 28.558 2.354 0.619 0.904 1.000 1.000 CA 1.778 10 residues pruned to eliminate duplicates Z: 80 58.369 2.336 0.982 0.530 0.848 0.608 CB 1.624 50 residues pruned to eliminate duplicates Z: 15 40.314 2.256 0.971 0.900 1.000 0.857 C 1.731 15 residues pruned to eliminate duplicates Z: 8 18.125 1.870 0.806 0.878 1.000 0.714 C 1.472 8 residues pruned to eliminate duplicates Z: 28 54.297 2.355 0.827 0.921 0.963 0.815 CB 1.775 28 residues pruned to eliminate duplicates Z: 25 71.654 2.490 1.199 0.948 1.000 0.833 C 1.845 25 residues pruned to eliminate duplicates Z: 25 65.634 2.456 0.960 0.942 1.000 0.917 C 1.930 25 residues pruned to eliminate duplicates Z: 46 68.843 2.377 1.086 0.688 1.000 0.667 CB 1.743 46 residues pruned to eliminate duplicates Z: 12 13.179 2.124 0.869 0.382 0.818 0.545 CB 1.388 12 residues pruned to eliminate duplicates Z: 17 34.883 2.275 0.612 0.869 1.000 0.750 CB 1.737 17 residues pruned to eliminate duplicates Z: 124 99.534 2.427 0.882 0.623 0.967 0.724 CB 1.809 124 residues pruned to eliminate duplicates Z: 10 29.169 2.304 0.899 0.869 1.000 1.000 C 1.624 10 residues pruned to eliminate duplicates Z: 25 52.188 2.486 0.592 0.943 1.000 0.917 CB 1.866 25 residues pruned to eliminate duplicates Z: 80 76.104 2.397 1.090 0.560 0.937 0.658 CB 1.722 80 residues pruned to eliminate duplicates Z: 124 99.930 2.427 0.915 0.632 0.951 0.707 CB 1.801 124 residues pruned to eliminate duplicates Z: 28 68.340 2.348 1.295 0.926 0.963 0.741 CB 1.777 28 residues pruned to eliminate duplicates Z: 129 103.242 2.403 0.965 0.618 0.969 0.711 CB 1.784 130 residues pruned to eliminate duplicates Z: 57 60.567 2.385 0.682 0.625 0.982 0.679 CB 1.825 57 residues pruned to eliminate duplicates Z: 35 53.436 2.401 0.813 0.704 0.971 0.794 CB 1.801 35 residues pruned to eliminate duplicates Z: 15 37.976 2.257 0.763 0.900 1.000 0.786 C 1.822 15 residues pruned to eliminate duplicates Z: 9 29.597 2.187 1.199 0.855 1.000 0.750 C 1.606 9 residues pruned to eliminate duplicates Z: 69 74.568 2.398 1.091 0.618 0.926 0.735 CB 1.741 69 residues pruned to eliminate duplicates Z: 27 60.347 2.365 0.886 0.926 1.000 0.846 CB 1.861 27 residues pruned to eliminate duplicates Z: 126 105.415 2.427 0.993 0.631 0.968 0.720 CB 1.781 125 residues pruned to eliminate duplicates Z: 10 24.111 2.269 1.091 0.567 0.889 0.667 C 1.786 15 residues pruned to eliminate duplicates Z: 102 78.705 2.346 0.724 0.609 0.970 0.693 CB 1.800 112 residues pruned to eliminate duplicates Z: 28 69.542 2.358 1.278 0.923 1.000 0.852 CB 1.751 28 residues pruned to eliminate duplicates Z: 17 29.073 2.218 0.400 0.912 1.000 0.875 CB 1.658 17 residues pruned to eliminate duplicates Z: 6 8.237 1.815 0.960 0.440 0.800 0.800 CB 1.377 6 residues pruned to eliminate duplicates Z: 27 66.012 2.399 1.042 0.931 1.000 0.885 CB 1.847 27 residues pruned to eliminate duplicates Z: 16 42.624 2.241 0.882 0.942 1.000 0.933 C 1.809 16 residues pruned to eliminate duplicates Z: 16 30.556 2.291 0.570 0.851 0.933 0.800 C 1.738 16 residues pruned to eliminate duplicates Z: 145 99.878 2.394 0.936 0.593 0.944 0.667 CB 1.740 145 residues pruned to eliminate duplicates Z: 52 61.066 2.343 0.933 0.610 0.961 0.745 CB 1.770 52 residues pruned to eliminate duplicates Z: 11 23.724 2.333 0.988 0.444 0.900 0.600 C 1.902 11 residues pruned to eliminate duplicates Z: 14 21.364 2.170 1.108 0.434 0.923 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 52 58.544 2.355 0.848 0.626 0.961 0.745 CB 1.740 52 residues pruned to eliminate duplicates Z: 107 93.003 2.387 0.916 0.667 0.962 0.689 CB 1.758 107 residues pruned to eliminate duplicates Z: 17 24.009 2.248 0.294 0.886 0.938 0.938 CB 1.588 17 residues pruned to eliminate duplicates Z: 25 38.455 2.378 0.623 0.660 0.958 0.708 CB 1.830 25 residues pruned to eliminate duplicates Z: 85 64.643 2.368 0.833 0.561 0.905 0.679 CB 1.693 85 residues pruned to eliminate duplicates Z: 40 57.001 2.432 0.736 0.686 0.974 0.795 CB 1.871 40 residues pruned to eliminate duplicates Z: 81 62.403 2.367 0.907 0.561 0.875 0.663 CB 1.665 81 residues pruned to eliminate duplicates Z: 44 49.954 2.299 0.815 0.637 0.930 0.698 CB 1.727 44 residues pruned to eliminate duplicates Z: 7 7.371 2.189 0.421 0.601 0.667 0.500 CA 1.319 7 residues pruned to eliminate duplicates Z: 86 83.221 2.446 1.071 0.604 0.906 0.671 CB 1.782 86 residues pruned to eliminate duplicates Z: 8 17.269 1.879 1.042 0.873 0.857 0.714 C 1.445 8 residues pruned to eliminate duplicates Z: 17 30.886 2.179 0.690 0.876 0.938 0.812 CB 1.625 17 residues pruned to eliminate duplicates Z: 15 46.102 2.459 0.828 0.921 1.000 0.929 CB 1.928 15 residues pruned to eliminate duplicates Z: 55 69.242 2.387 1.023 0.633 0.981 0.685 CB 1.754 55 residues pruned to eliminate duplicates Z: 56 52.855 2.337 0.896 0.572 0.855 0.564 CB 1.755 56 residues pruned to eliminate duplicates Z: 59 82.278 2.432 1.178 0.654 0.948 0.741 CB 1.864 59 residues pruned to eliminate duplicates Z: 10 25.521 2.038 1.198 0.661 1.000 0.556 CA 1.636 10 residues pruned to eliminate duplicates Z: 24 48.178 2.399 0.589 0.929 1.000 0.957 CB 1.844 24 residues pruned to eliminate duplicates Z: 41 69.961 2.350 1.228 0.776 0.950 0.725 C 1.744 41 residues pruned to eliminate duplicates Z: 25 69.610 2.485 1.140 0.947 1.000 0.958 C 1.847 25 residues pruned to eliminate duplicates Z: 8 16.702 2.227 0.336 0.851 0.857 0.857 CB 1.832 8 residues pruned to eliminate duplicates Z: 71 54.099 2.301 0.743 0.586 0.900 0.671 CB 1.649 71 residues pruned to eliminate duplicates Z: 36 24.148 2.180 0.787 0.361 0.829 0.429 CB 1.470 36 residues pruned to eliminate duplicates Z: 27 50.518 2.380 0.694 0.924 1.000 0.885 CB 1.725 27 residues pruned to eliminate duplicates Z: 39 63.372 2.355 1.142 0.691 0.974 0.632 CB 1.756 38 residues pruned to eliminate duplicates Z: 42 62.093 2.313 0.953 0.690 1.000 0.829 CB 1.804 42 residues pruned to eliminate duplicates Z: 8 24.127 2.285 0.715 0.879 1.000 0.857 CB 1.686 8 residues pruned to eliminate duplicates Z: 47 76.813 2.428 1.201 0.743 0.957 0.783 CB 1.783 47 residues pruned to eliminate duplicates Z: 109 91.963 2.397 1.103 0.608 0.917 0.657 CB 1.728 72 residues pruned to eliminate duplicates Z: 11 19.455 2.345 1.004 0.498 0.800 0.700 CB 1.641 11 residues pruned to eliminate duplicates Z: 7 13.549 2.152 0.326 0.836 1.000 0.500 CA 1.452 7 residues pruned to eliminate duplicates Z: 28 65.384 2.336 1.146 0.923 0.963 0.815 CB 1.833 28 residues pruned to eliminate duplicates Z: 27 36.098 2.199 0.777 0.631 0.923 0.769 C 1.735 27 residues pruned to eliminate duplicates Z: 22 22.214 2.137 0.804 0.422 0.857 0.667 CB 1.592 22 residues pruned to eliminate duplicates Z: 44 54.686 2.353 0.702 0.652 0.977 0.791 CB 1.850 44 residues pruned to eliminate duplicates Z: 78 87.031 2.384 1.019 0.702 0.922 0.714 CB 1.859 186 residues pruned to eliminate duplicates Z: 10 14.866 1.946 0.943 0.564 0.889 0.778 CB 1.386 Z: 20 17.652 1.743 0.773 0.620 0.947 0.789 CB 1.235 20 residues pruned to eliminate duplicates Z: 6 14.808 2.483 0.675 0.694 0.800 0.400 CA 1.668 Z: 13 13.770 1.955 0.776 0.435 0.750 0.500 CA 1.633 13 residues pruned to eliminate duplicates Z: 28 53.198 2.299 0.848 0.903 1.000 0.815 CB 1.717 28 residues pruned to eliminate duplicates Z: 38 59.984 2.408 0.911 0.668 0.973 0.676 CB 1.885 44 residues pruned to eliminate duplicates Z: 12 11.792 1.618 0.596 0.619 1.000 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 43 49.833 2.282 0.851 0.621 0.952 0.833 CB 1.705 10 residues pruned to eliminate duplicates Z: 49 69.774 2.391 1.090 0.660 0.979 0.833 CB 1.774 43 residues pruned to eliminate duplicates Z: 12 8.872 2.078 0.411 0.368 0.818 0.636 CB 1.284 Z: 43 58.296 2.313 0.920 0.665 0.976 0.762 CB 1.780 43 residues pruned to eliminate duplicates Z: 14 40.808 2.372 0.722 0.938 1.000 0.846 C 1.927 14 residues pruned to eliminate duplicates Z: 58 75.573 2.429 1.107 0.664 0.930 0.702 CB 1.807 58 residues pruned to eliminate duplicates Z: 11 31.667 2.200 0.963 0.844 1.000 0.700 CB 1.726 11 residues pruned to eliminate duplicates Z: 90 82.856 2.417 1.085 0.608 0.921 0.652 CB 1.708 90 residues pruned to eliminate duplicates Z: 35 60.681 2.328 1.063 0.692 0.971 0.765 CB 1.872 35 residues pruned to eliminate duplicates Z: 27 63.965 2.326 1.006 0.936 1.000 0.962 CB 1.872 27 residues pruned to eliminate duplicates Z: 163 114.699 2.423 0.905 0.641 0.951 0.747 CB 1.801 163 residues pruned to eliminate duplicates Z: 9 34.530 2.412 0.922 0.874 1.000 1.000 CB 1.916 Z: 6 11.489 1.913 0.368 0.751 1.000 0.800 CB 1.570 6 residues pruned to eliminate duplicates Z: 27 71.159 2.435 1.131 0.959 1.000 0.808 CB 1.844 27 residues pruned to eliminate duplicates Z: 15 48.003 2.323 1.096 0.951 1.000 0.857 CB 1.816 15 residues pruned to eliminate duplicates Z: 89 90.631 2.417 1.168 0.614 0.943 0.727 CB 1.754 89 residues pruned to eliminate duplicates Z: 50 75.365 2.435 1.204 0.681 0.959 0.796 CB 1.771 50 residues pruned to eliminate duplicates Z: 12 18.798 2.179 1.003 0.503 0.818 0.545 CB 1.583 12 residues pruned to eliminate duplicates Z: 29 55.143 2.307 0.800 0.912 1.000 0.750 CB 1.777 29 residues pruned to eliminate duplicates Z: 11 14.240 2.124 0.956 0.396 0.900 0.600 CB 1.344 11 residues pruned to eliminate duplicates Z: 7 14.737 2.136 0.254 0.882 1.000 0.833 CA 1.625 7 residues pruned to eliminate duplicates Z: 43 49.264 2.280 0.733 0.632 0.976 0.738 CB 1.741 9 residues pruned to eliminate duplicates Z: 55 60.417 2.359 1.055 0.604 0.907 0.648 CB 1.693 55 residues pruned to eliminate duplicates Z: 15 46.421 2.334 1.138 0.906 0.929 0.857 C 1.904 15 residues pruned to eliminate duplicates Z: 9 6.703 2.034 0.256 0.376 0.875 0.375 C 1.211 9 residues pruned to eliminate duplicates Z: 70 71.690 2.397 1.003 0.616 0.957 0.768 CB 1.684 70 residues pruned to eliminate duplicates Z: 47 56.591 2.355 0.767 0.654 0.978 0.783 CB 1.777 47 residues pruned to eliminate duplicates Z: 25 74.410 2.500 1.243 0.938 1.000 0.833 C 1.883 25 residues pruned to eliminate duplicates Z: 51 65.482 2.424 1.104 0.662 0.920 0.700 CB 1.698 51 residues pruned to eliminate duplicates Z: 25 60.341 2.430 0.852 0.928 1.000 0.958 CB 1.916 25 residues pruned to eliminate duplicates Z: 27 69.552 2.383 1.157 0.920 1.000 0.846 C 1.869 27 residues pruned to eliminate duplicates Z: 27 75.001 2.378 1.390 0.927 1.000 0.846 CB 1.813 27 residues pruned to eliminate duplicates Z: 25 73.646 2.502 1.168 0.944 1.000 0.917 C 1.919 25 residues pruned to eliminate duplicates Z: 26 71.356 2.444 1.168 0.940 1.000 0.960 C 1.870 26 residues pruned to eliminate duplicates Z: 8 19.255 1.896 0.830 0.826 1.000 0.429 CB 1.583 Z: 19 18.078 2.352 0.613 0.294 0.889 0.444 CB 1.592 19 residues pruned to eliminate duplicates Z: 42 59.522 2.357 0.927 0.684 0.976 0.780 CB 1.772 42 residues pruned to eliminate duplicates Z: 17 41.607 2.096 1.055 0.849 1.000 0.875 C 1.789 17 residues pruned to eliminate duplicates Z: 26 17.536 2.135 0.523 0.432 0.840 0.560 CB 1.377 38 residues pruned to eliminate duplicates Z: 7 15.413 2.359 0.927 0.612 0.833 0.500 CB 1.493 7 residues pruned to eliminate duplicates Z: 16 29.354 2.190 0.384 0.922 1.000 0.933 CA 1.759 16 residues pruned to eliminate duplicates Z: 42 56.316 2.284 0.972 0.669 0.927 0.780 CB 1.803 42 residues pruned to eliminate duplicates Z: 71 70.442 2.383 1.114 0.638 0.871 0.671 CB 1.686 71 residues pruned to eliminate duplicates Z: 7 10.090 2.215 0.124 0.793 0.833 0.667 CA 1.535 Z: 80 68.255 2.370 0.897 0.562 0.937 0.608 CB 1.717 80 residues pruned to eliminate duplicates Z: 79 79.959 2.355 1.076 0.654 0.949 0.731 CB 1.693 79 residues pruned to eliminate duplicates Z: 9 12.669 1.759 0.596 0.836 0.875 0.625 CB 1.365 9 residues pruned to eliminate duplicates Z: 52 56.385 2.305 0.770 0.657 0.961 0.745 CB 1.741 43 residues pruned to eliminate duplicates Z: 25 20.350 2.077 0.729 0.412 0.875 0.500 CB 1.450 25 residues pruned to eliminate duplicates Z: 21 17.935 2.114 0.568 0.448 0.800 0.600 CB 1.595 21 residues pruned to eliminate duplicates Z: 6 5.650 1.924 0.715 0.375 0.800 0.800 CB 1.094 3 residues pruned to eliminate duplicates Z: 8 13.613 1.914 0.615 0.860 0.857 0.714 CB 1.429 8 residues pruned to eliminate duplicates Z: 25 68.842 2.475 1.267 0.932 0.958 0.750 C 1.824 25 residues pruned to eliminate duplicates Z: 35 56.776 2.357 1.039 0.638 0.971 0.647 CB 1.835 35 residues pruned to eliminate duplicates Z: 33 62.557 2.425 0.951 0.791 0.969 0.781 C 1.869 33 residues pruned to eliminate duplicates Z: 20 33.466 2.364 0.777 0.480 1.000 0.526 CB 1.864 20 residues pruned to eliminate duplicates Z: 73 68.435 2.362 0.929 0.580 0.944 0.708 CB 1.734 73 residues pruned to eliminate duplicates Z: 49 36.692 2.285 0.911 0.379 0.875 0.500 CB 1.577 49 residues pruned to eliminate duplicates Z: 10 25.716 2.247 0.884 0.806 0.889 0.778 CB 1.744 10 residues pruned to eliminate duplicates Z: 21 34.380 2.236 0.610 0.651 1.000 0.750 CA 1.854 21 residues pruned to eliminate duplicates Z: 6 6.818 1.579 0.256 0.717 1.000 0.800 C 1.263 6 residues pruned to eliminate duplicates Z: 7 19.734 2.132 0.641 0.847 1.000 0.833 CA 1.710 7 residues pruned to eliminate duplicates Z: 12 12.865 2.014 0.866 0.428 0.909 0.545 CB 1.224 12 residues pruned to eliminate duplicates Z: 20 16.091 1.816 0.704 0.536 0.947 0.579 CB 1.215 20 residues pruned to eliminate duplicates Z: 16 43.425 2.350 0.776 0.928 1.000 0.867 CA 1.881 16 residues pruned to eliminate duplicates Z: 97 92.807 2.398 0.975 0.647 0.948 0.708 CB 1.838 149 residues pruned to eliminate duplicates Z: 49 51.799 2.292 0.779 0.628 0.938 0.708 CB 1.733 49 residues pruned to eliminate duplicates Z: 6 18.495 2.348 0.589 0.873 1.000 0.800 CA 1.616 Z: 42 57.499 2.327 0.834 0.678 1.000 0.756 CB 1.786 Z: 39 62.703 2.465 0.765 0.723 1.000 0.737 CB 1.912 39 residues pruned to eliminate duplicates Z: 10 5.643 1.676 0.423 0.471 0.667 0.444 N 1.219 Z: 59 60.879 2.358 0.923 0.654 0.914 0.724 CB 1.671 59 residues pruned to eliminate duplicates Z: 16 34.431 2.198 0.541 0.934 1.000 1.000 C 1.830 16 residues pruned to eliminate duplicates Z: 26 64.015 2.427 1.028 0.943 0.960 0.880 CB 1.878 26 residues pruned to eliminate duplicates Z: 76 64.665 2.295 0.937 0.596 0.907 0.587 CB 1.691 76 residues pruned to eliminate duplicates Z: 13 23.751 2.221 0.291 0.907 1.000 0.750 CB 1.699 13 residues pruned to eliminate duplicates Z: 38 53.950 2.393 0.871 0.648 0.946 0.703 CB 1.825 51 residues pruned to eliminate duplicates Z: 17 26.411 2.237 0.333 0.921 1.000 0.938 CB 1.558 17 residues pruned to eliminate duplicates Z: 15 30.563 2.399 0.321 0.910 1.000 1.000 CB 1.827 15 residues pruned to eliminate duplicates Z: 12 8.972 1.677 0.599 0.433 0.818 0.455 CB 1.321 12 residues pruned to eliminate duplicates Z: 29 16.165 1.999 0.598 0.328 0.821 0.464 CB 1.407 29 residues pruned to eliminate duplicates Z: 15 17.748 2.213 0.948 0.379 0.857 0.571 CB 1.461 15 residues pruned to eliminate duplicates Z: 12 10.432 2.072 0.682 0.364 0.727 0.545 CB 1.436 12 residues pruned to eliminate duplicates Z: 23 21.874 1.996 0.727 0.500 0.909 0.545 CB 1.487 23 residues pruned to eliminate duplicates Z: 25 79.122 2.512 1.323 0.956 1.000 0.917 C 1.901 25 residues pruned to eliminate duplicates Z: 56 68.037 2.415 1.130 0.642 0.855 0.673 CB 1.828 56 residues pruned to eliminate duplicates Z: 18 12.457 1.585 0.795 0.646 0.941 0.647 CB 0.985 18 residues pruned to eliminate duplicates Z: 9 22.936 2.370 0.379 0.865 1.000 0.875 CB 1.819 9 residues pruned to eliminate duplicates Z: 16 18.474 1.919 0.595 0.613 1.000 0.467 CB 1.401 16 residues pruned to eliminate duplicates Z: 6 6.893 1.819 0.317 0.710 1.000 0.800 CB 1.064 6 residues pruned to eliminate duplicates Z: 54 62.498 2.352 0.835 0.625 0.962 0.736 CB 1.837 46 residues pruned to eliminate duplicates Z: 47 36.702 2.308 0.853 0.520 0.826 0.609 CB 1.501 47 residues pruned to eliminate duplicates Z: 16 45.653 2.225 1.074 0.945 1.000 0.800 CB 1.768 16 residues pruned to eliminate duplicates Z: 42 58.792 2.390 1.033 0.678 0.927 0.634 CB 1.731 42 residues pruned to eliminate duplicates Z: 55 46.967 2.188 0.914 0.543 0.907 0.519 CB 1.613 55 residues pruned to eliminate duplicates Z: 17 23.031 2.104 0.822 0.511 1.000 0.750 CB 1.486 16 residues pruned to eliminate duplicates Z: 27 72.593 2.372 1.325 0.941 0.962 0.885 C 1.864 27 residues pruned to eliminate duplicates Z: 27 71.518 2.367 1.301 0.932 1.000 0.885 C 1.798 27 residues pruned to eliminate duplicates Z: 44 49.646 2.323 0.678 0.639 0.977 0.744 CB 1.745 44 residues pruned to eliminate duplicates Z: 28 54.826 2.331 0.868 0.927 0.963 0.852 CB 1.764 28 residues pruned to eliminate duplicates Z: 9 13.000 2.214 0.659 0.415 0.875 0.625 CB 1.563 9 residues pruned to eliminate duplicates Z: 87 66.040 2.385 0.919 0.558 0.884 0.651 CB 1.665 87 residues pruned to eliminate duplicates Z: 49 56.506 2.359 0.767 0.641 0.979 0.771 CB 1.752 49 residues pruned to eliminate duplicates Z: 12 33.602 2.393 0.697 0.917 0.909 0.364 CA 1.937 12 residues pruned to eliminate duplicates Z: 56 53.489 2.307 0.976 0.601 0.873 0.618 CB 1.646 56 residues pruned to eliminate duplicates Z: 16 31.123 2.161 0.721 0.855 0.933 0.800 C 1.708 16 residues pruned to eliminate duplicates Z: 28 55.799 2.312 0.886 0.897 0.963 0.852 CB 1.831 28 residues pruned to eliminate duplicates Z: 35 27.139 2.222 0.770 0.411 0.882 0.441 CB 1.472 35 residues pruned to eliminate duplicates Z: 32 29.700 2.131 0.753 0.460 0.968 0.516 CB 1.537 32 residues pruned to eliminate duplicates Z: 12 12.840 2.197 0.512 0.351 0.909 0.545 CB 1.507 12 residues pruned to eliminate duplicates Z: 31 44.264 2.353 0.648 0.644 0.967 0.733 CB 1.884 31 residues pruned to eliminate duplicates Z: 95 79.981 2.402 1.013 0.582 0.904 0.670 CB 1.744 103 residues pruned to eliminate duplicates Z: 40 52.312 2.324 0.814 0.689 0.949 0.692 CB 1.762 40 residues pruned to eliminate duplicates Z: 83 69.967 2.327 0.999 0.549 0.902 0.610 CB 1.755 83 residues pruned to eliminate duplicates Z: 108 82.750 2.313 1.022 0.598 0.925 0.664 CB 1.684 108 residues pruned to eliminate duplicates Z: 7 8.479 2.025 0.572 0.423 0.833 0.500 CB 1.414 7 residues pruned to eliminate duplicates Z: 37 47.217 2.296 0.563 0.700 1.000 0.806 CB 1.828 37 residues pruned to eliminate duplicates Z: 66 76.153 2.387 1.113 0.651 0.954 0.723 CB 1.706 66 residues pruned to eliminate duplicates Z: 36 74.593 2.459 1.170 0.714 1.000 0.771 CB 1.947 36 residues pruned to eliminate duplicates Z: 15 24.623 2.494 0.379 0.675 0.857 0.714 CB 1.899 15 residues pruned to eliminate duplicates Z: 7 16.268 1.757 1.298 0.723 1.000 0.833 C 1.345 7 residues pruned to eliminate duplicates Z: 17 28.587 2.264 0.336 0.876 1.000 0.938 CB 1.717 17 residues pruned to eliminate duplicates Z: 27 65.545 2.422 1.007 0.934 1.000 0.846 CB 1.845 27 residues pruned to eliminate duplicates Z: 138 94.503 2.392 0.900 0.581 0.942 0.679 CB 1.745 188 residues pruned to eliminate duplicates Z: 21 55.781 2.250 1.273 0.928 1.000 0.700 CB 1.708 21 residues pruned to eliminate duplicates Z: 30 54.241 2.402 0.983 0.663 0.966 0.828 CB 1.883 30 residues pruned to eliminate duplicates Z: 7 13.539 2.178 0.552 0.804 1.000 0.667 CA 1.255 7 residues pruned to eliminate duplicates Z: 16 37.094 2.283 0.847 0.866 1.000 0.667 CB 1.663 Z: 16 17.963 1.829 0.717 0.605 1.000 0.733 CB 1.337 16 residues pruned to eliminate duplicates Z: 22 19.632 2.066 0.611 0.449 0.905 0.667 CB 1.499 22 residues pruned to eliminate duplicates Z: 55 55.935 2.347 0.725 0.608 0.944 0.778 CB 1.796 16 residues pruned to eliminate duplicates Z: 49 55.750 2.311 0.819 0.586 0.979 0.688 CB 1.800 49 residues pruned to eliminate duplicates Z: 56 56.061 2.353 0.658 0.593 0.964 0.745 CB 1.839 54 residues pruned to eliminate duplicates Z: 43 58.199 2.259 0.968 0.668 0.976 0.738 CB 1.772 43 residues pruned to eliminate duplicates Z: 78 53.580 2.256 0.880 0.611 0.870 0.610 CB 1.489 78 residues pruned to eliminate duplicates Z: 22 31.585 2.172 0.623 0.625 1.000 0.857 CB 1.737 22 residues pruned to eliminate duplicates Z: 9 6.162 1.716 0.538 0.499 1.000 0.500 CB 0.826 9 residues pruned to eliminate duplicates Z: 7 3.746 1.836 0.376 0.296 0.667 0.500 CB 1.141 7 residues pruned to eliminate duplicates Z: 7 20.146 2.687 0.277 0.737 1.000 0.833 CA 1.937 7 residues pruned to eliminate duplicates Z: 17 20.078 1.925 0.826 0.659 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 33 29.959 2.228 0.806 0.486 0.844 0.656 CB 1.582 33 residues pruned to eliminate duplicates Z: 16 17.757 2.119 0.638 0.306 0.933 0.467 CA 1.755 16 residues pruned to eliminate duplicates Z: 12 8.960 2.170 0.369 0.198 0.818 0.364 CB 1.592 12 residues pruned to eliminate duplicates Z: 10 28.598 2.125 1.006 0.905 1.000 0.889 C 1.592 10 residues pruned to eliminate duplicates Z: 38 31.640 2.321 0.590 0.447 0.892 0.622 CB 1.669 38 residues pruned to eliminate duplicates Z: 11 15.473 1.971 0.523 0.512 0.900 0.600 C 1.789 11 residues pruned to eliminate duplicates Z: 144 91.227 2.387 0.876 0.553 0.930 0.643 CB 1.739 144 residues pruned to eliminate duplicates Z: 21 31.422 2.268 1.148 0.489 0.900 0.750 CB 1.619 21 residues pruned to eliminate duplicates Z: 9 10.791 2.240 0.344 0.362 0.875 0.500 CB 1.680 9 residues pruned to eliminate duplicates Z: 20 25.684 2.211 0.866 0.507 0.895 0.789 CB 1.586 20 residues pruned to eliminate duplicates Z: 17 25.336 2.393 0.706 0.521 0.875 0.562 CB 1.737 17 residues pruned to eliminate duplicates Z: 8 2.540 1.283 0.132 0.259 0.857 0.571 CA 1.015 Z: 41 43.791 2.249 0.783 0.563 0.975 0.700 CB 1.666 41 residues pruned to eliminate duplicates Z: 26 23.167 2.151 0.737 0.487 0.880 0.680 CB 1.427 83 residues pruned to eliminate duplicates Z: 70 79.843 2.397 1.012 0.648 0.986 0.754 CB 1.763 70 residues pruned to eliminate duplicates Z: 36 56.436 2.365 0.850 0.718 0.971 0.829 CB 1.842 Z: 40 60.214 2.267 1.142 0.711 0.923 0.667 CB 1.776 40 residues pruned to eliminate duplicates Z: 77 63.762 2.309 0.752 0.594 0.961 0.697 CB 1.721 113 residues pruned to eliminate duplicates Z: 9 12.879 2.280 0.362 0.536 0.875 0.750 CB 1.619 9 residues pruned to eliminate duplicates Z: 6 5.469 1.853 0.765 0.514 0.600 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 21 28.645 2.153 0.893 0.588 0.900 0.800 CB 1.605 21 residues pruned to eliminate duplicates Z: 34 59.150 2.352 1.093 0.704 0.970 0.758 CB 1.791 34 residues pruned to eliminate duplicates Z: 10 4.232 1.446 0.174 0.379 0.889 0.444 CB 1.064 Z: 17 30.131 2.223 0.451 0.885 1.000 0.875 CB 1.686 17 residues pruned to eliminate duplicates Z: 23 54.430 2.226 1.264 0.917 1.000 0.773 C 1.624 23 residues pruned to eliminate duplicates Z: 6 5.370 2.205 -0.255 0.837 0.800 0.400 CB 1.366 6 residues pruned to eliminate duplicates Z: 17 42.988 2.408 0.846 0.892 0.938 0.875 CA 1.852 17 residues pruned to eliminate duplicates Z: 16 45.242 2.209 1.112 0.949 1.000 0.867 C 1.728 16 residues pruned to eliminate duplicates Z: 44 63.293 2.353 1.215 0.656 0.930 0.767 CB 1.722 44 residues pruned to eliminate duplicates Z: 25 29.704 2.109 1.046 0.459 0.958 0.625 CB 1.528 25 residues pruned to eliminate duplicates Z: 9 25.430 2.543 0.349 0.841 1.000 1.000 CA 1.953 9 residues pruned to eliminate duplicates Z: 33 50.828 2.283 0.974 0.697 1.000 0.625 CB 1.666 33 residues pruned to eliminate duplicates Z: 25 85.089 2.526 1.383 0.961 1.000 0.875 C 1.975 25 residues pruned to eliminate duplicates Z: 9 18.040 1.783 0.737 0.899 1.000 0.875 CA 1.472 Z: 43 46.636 2.318 0.853 0.552 0.905 0.571 CB 1.760 43 residues pruned to eliminate duplicates Z: 60 59.624 2.317 0.868 0.640 0.966 0.712 CB 1.628 60 residues pruned to eliminate duplicates Z: 74 65.699 2.276 1.039 0.641 0.904 0.685 CB 1.606 74 residues pruned to eliminate duplicates Z: 22 30.671 2.166 0.685 0.558 1.000 0.667 C 1.734 22 residues pruned to eliminate duplicates Z: 80 61.601 2.343 0.905 0.535 0.924 0.620 CB 1.624 80 residues pruned to eliminate duplicates Z: 11 15.013 2.064 0.667 0.449 1.000 0.600 CB 1.454 11 residues pruned to eliminate duplicates Z: 27 72.735 2.352 1.368 0.927 1.000 0.615 C 1.796 27 residues pruned to eliminate duplicates Z: 44 68.877 2.512 1.146 0.631 0.907 0.698 CB 1.899 44 residues pruned to eliminate duplicates Z: 97 71.425 2.317 1.005 0.561 0.885 0.615 CB 1.670 97 residues pruned to eliminate duplicates Z: 46 53.889 2.381 1.046 0.596 0.889 0.667 CB 1.693 46 residues pruned to eliminate duplicates Z: 47 64.472 2.346 0.995 0.780 0.957 0.804 CB 1.659 47 residues pruned to eliminate duplicates Z: 6 4.142 1.405 0.432 0.745 1.000 0.800 CB 0.740 Z: 23 16.202 2.202 0.513 0.381 0.773 0.500 CB 1.523 23 residues pruned to eliminate duplicates Z: 25 75.731 2.442 1.332 0.951 1.000 0.875 C 1.871 25 residues pruned to eliminate duplicates Z: 14 23.723 2.167 0.347 0.895 1.000 0.923 CB 1.616 Z: 21 30.510 2.243 1.139 0.532 0.900 0.700 CB 1.532 21 residues pruned to eliminate duplicates Z: 88 79.248 2.387 1.081 0.582 0.920 0.644 CB 1.718 88 residues pruned to eliminate duplicates Z: 107 76.599 2.377 0.952 0.547 0.906 0.642 CB 1.691 107 residues pruned to eliminate duplicates Z: 15 20.251 2.298 0.574 0.479 1.000 0.571 CB 1.529 7 residues pruned to eliminate duplicates Z: 27 67.342 2.352 1.162 0.904 1.000 0.846 C 1.850 27 residues pruned to eliminate duplicates Z: 8 14.655 1.935 0.892 0.663 0.857 0.857 CB 1.518 8 residues pruned to eliminate duplicates 6 1.686 1.269 0.483 0.218 1.000 0.600 CB 0.558 ? Using tripeptides from previous cycle as seeds Z: 41 54.392 2.325 0.902 0.647 0.925 0.625 CB 1.833 52 residues pruned to eliminate duplicates Z: 6 4.373 1.642 0.820 0.272 0.800 0.400 C 1.060 6 residues pruned to eliminate duplicates Z: 37 63.999 2.452 0.880 0.699 1.000 0.722 CB 1.930 37 residues pruned to eliminate duplicates Z: 40 53.695 2.365 0.829 0.680 0.949 0.667 CB 1.775 40 residues pruned to eliminate duplicates Z: 39 53.117 2.357 0.843 0.673 0.947 0.579 CB 1.786 39 residues pruned to eliminate duplicates Z: 39 60.053 2.391 0.984 0.673 0.974 0.684 CB 1.799 39 residues pruned to eliminate duplicates Z: 39 60.542 2.386 1.042 0.667 0.947 0.658 CB 1.824 39 residues pruned to eliminate duplicates Z: 37 70.718 2.449 1.252 0.692 0.944 0.722 CB 1.899 37 residues pruned to eliminate duplicates Z: 39 63.093 2.352 1.038 0.683 1.000 0.658 CB 1.804 39 residues pruned to eliminate duplicates Z: 37 70.468 2.463 1.191 0.683 0.972 0.722 CB 1.892 37 residues pruned to eliminate duplicates Z: 39 62.410 2.380 1.079 0.678 0.947 0.658 CB 1.833 39 residues pruned to eliminate duplicates Z: 39 62.776 2.384 1.055 0.683 0.947 0.605 CB 1.855 39 residues pruned to eliminate duplicates Z: 39 62.782 2.376 1.121 0.658 0.947 0.605 CB 1.842 39 residues pruned to eliminate duplicates Z: 40 61.121 2.356 1.110 0.665 0.949 0.590 CB 1.781 40 residues pruned to eliminate duplicates Z: 40 59.444 2.359 1.039 0.658 0.949 0.615 CB 1.802 40 residues pruned to eliminate duplicates Z: 38 66.157 2.413 1.153 0.680 0.946 0.649 CB 1.876 38 residues pruned to eliminate duplicates Z: 40 63.566 2.343 1.157 0.672 0.974 0.692 CB 1.763 40 residues pruned to eliminate duplicates Z: 33 65.673 2.442 1.105 0.704 0.969 0.781 CB 1.936 33 residues pruned to eliminate duplicates Z: 37 75.660 2.443 1.233 0.702 0.972 0.722 CB 1.978 37 residues pruned to eliminate duplicates Z: 39 67.213 2.392 1.171 0.679 0.974 0.684 CB 1.829 39 residues pruned to eliminate duplicates Z: 40 60.016 2.344 1.050 0.680 0.949 0.667 CB 1.786 40 residues pruned to eliminate duplicates Z: 38 70.164 2.421 1.182 0.692 0.973 0.811 CB 1.884 38 residues pruned to eliminate duplicates Z: 38 68.469 2.405 1.184 0.675 0.973 0.676 CB 1.875 38 residues pruned to eliminate duplicates Z: 39 66.850 2.370 1.173 0.688 0.974 0.737 CB 1.821 39 residues pruned to eliminate duplicates Z: 39 61.014 2.365 1.088 0.656 0.947 0.684 CB 1.829 39 residues pruned to eliminate duplicates Z: 37 71.865 2.461 1.227 0.682 0.972 0.694 CB 1.901 37 residues pruned to eliminate duplicates Z: 37 71.304 2.453 1.237 0.678 0.972 0.722 CB 1.891 37 residues pruned to eliminate duplicates Z: 38 66.602 2.403 1.089 0.675 1.000 0.649 CB 1.857 38 residues pruned to eliminate duplicates Z: 39 62.463 2.350 1.138 0.655 0.974 0.711 CB 1.794 39 residues pruned to eliminate duplicates Z: 38 61.651 2.410 1.039 0.660 0.946 0.649 CB 1.879 38 residues pruned to eliminate duplicates Z: 38 64.905 2.388 1.120 0.650 0.973 0.622 CB 1.884 38 residues pruned to eliminate duplicates Z: 23 26.251 2.133 1.195 0.462 0.773 0.545 CB 1.607 23 residues pruned to eliminate duplicates Z: 103 83.540 2.420 1.011 0.554 0.931 0.667 CB 1.731 103 residues pruned to eliminate duplicates Z: 47 48.697 2.282 1.056 0.501 0.913 0.609 CB 1.674 47 residues pruned to eliminate duplicates Z: 9 32.360 2.503 1.490 0.599 0.875 0.875 CB 1.908 9 residues pruned to eliminate duplicates Z: 9 27.533 2.420 1.270 0.604 0.875 0.875 CB 1.835 9 residues pruned to eliminate duplicates Z: 10 17.885 2.397 0.918 0.486 0.778 0.778 CB 1.691 10 residues pruned to eliminate duplicates Z: 11 15.806 2.380 0.853 0.347 0.800 0.600 CB 1.673 11 residues pruned to eliminate duplicates Z: 12 12.588 2.225 0.740 0.276 0.818 0.636 CB 1.545 12 residues pruned to eliminate duplicates Z: 20 15.031 2.128 0.773 0.351 0.895 0.421 CB 1.201 20 residues pruned to eliminate duplicates Z: 11 11.073 2.249 0.823 0.315 0.700 0.400 CB 1.496 11 residues pruned to eliminate duplicates Z: 77 65.919 2.413 0.898 0.551 0.921 0.684 CB 1.705 77 residues pruned to eliminate duplicates Z: 37 27.533 2.287 0.746 0.355 0.889 0.417 CB 1.513 37 residues pruned to eliminate duplicates Z: 16 17.563 2.385 1.024 0.350 0.800 0.600 CB 1.381 16 residues pruned to eliminate duplicates Z: 87 72.307 2.397 0.934 0.545 0.930 0.640 CB 1.729 87 residues pruned to eliminate duplicates Z: 29 23.341 2.193 0.732 0.416 0.857 0.571 CB 1.478 29 residues pruned to eliminate duplicates Z: 87 67.353 2.404 0.987 0.521 0.895 0.651 CB 1.664 87 residues pruned to eliminate duplicates Z: 41 24.689 2.155 0.682 0.304 0.875 0.350 CB 1.532 41 residues pruned to eliminate duplicates Z: 79 60.732 2.384 0.758 0.541 0.936 0.667 CB 1.685 79 residues pruned to eliminate duplicates Z: 81 65.660 2.382 1.052 0.485 0.900 0.538 CB 1.694 81 residues pruned to eliminate duplicates Z: 9 16.799 2.347 0.930 0.394 0.875 0.625 CB 1.677 9 residues pruned to eliminate duplicates Z: 70 58.863 2.302 0.821 0.550 0.942 0.652 CB 1.710 70 residues pruned to eliminate duplicates Z: 76 59.586 2.262 0.947 0.607 0.893 0.667 CB 1.580 76 residues pruned to eliminate duplicates Z: 65 65.672 2.375 0.840 0.629 0.969 0.766 CB 1.717 65 residues pruned to eliminate duplicates Z: 19 24.082 2.308 0.694 0.468 0.889 0.556 CB 1.687 19 residues pruned to eliminate duplicates Z: 31 26.813 2.284 0.724 0.389 0.867 0.533 CB 1.613 31 residues pruned to eliminate duplicates Z: 75 64.478 2.293 0.957 0.608 0.932 0.676 CB 1.616 75 residues pruned to eliminate duplicates Z: 72 58.812 2.326 0.968 0.540 0.915 0.662 CB 1.602 72 residues pruned to eliminate duplicates Z: 22 18.365 2.020 0.597 0.394 0.905 0.476 CB 1.536 22 residues pruned to eliminate duplicates Z: 75 62.720 2.282 0.915 0.603 0.946 0.703 CB 1.600 75 residues pruned to eliminate duplicates Z: 87 68.036 2.343 0.946 0.587 0.919 0.663 CB 1.612 87 residues pruned to eliminate duplicates Z: 18 28.618 2.332 0.888 0.522 0.882 0.706 CB 1.749 18 residues pruned to eliminate duplicates Z: 66 62.495 2.360 0.974 0.608 0.908 0.692 CB 1.655 66 residues pruned to eliminate duplicates Z: 24 25.285 2.156 0.842 0.447 0.913 0.565 CB 1.536 24 residues pruned to eliminate duplicates Z: 86 66.538 2.346 0.936 0.554 0.882 0.647 CB 1.708 86 residues pruned to eliminate duplicates Z: 25 21.395 2.137 0.703 0.437 0.875 0.542 CB 1.464 25 residues pruned to eliminate duplicates Z: 82 67.829 2.345 1.024 0.570 0.901 0.642 CB 1.647 82 residues pruned to eliminate duplicates Z: 67 60.884 2.379 0.846 0.608 0.909 0.697 CB 1.694 67 residues pruned to eliminate duplicates Z: 71 64.731 2.305 0.958 0.644 0.914 0.729 CB 1.640 71 residues pruned to eliminate duplicates Z: 70 62.431 2.322 0.850 0.635 0.942 0.696 CB 1.636 70 residues pruned to eliminate duplicates Z: 66 63.972 2.371 0.953 0.623 0.908 0.708 CB 1.681 66 residues pruned to eliminate duplicates Z: 71 66.110 2.367 1.065 0.580 0.900 0.614 CB 1.663 71 residues pruned to eliminate duplicates Z: 54 62.589 2.413 1.040 0.619 0.925 0.679 CB 1.688 54 residues pruned to eliminate duplicates Z: 83 63.022 2.381 0.910 0.538 0.878 0.598 CB 1.679 83 residues pruned to eliminate duplicates Z: 81 64.357 2.351 0.967 0.584 0.875 0.637 CB 1.640 81 residues pruned to eliminate duplicates Z: 66 58.996 2.354 0.857 0.596 0.923 0.615 CB 1.654 66 residues pruned to eliminate duplicates Z: 64 58.075 2.267 0.901 0.633 0.921 0.698 CB 1.627 64 residues pruned to eliminate duplicates Z: 66 63.260 2.362 0.918 0.628 0.923 0.677 CB 1.663 66 residues pruned to eliminate duplicates Z: 66 60.409 2.364 0.870 0.601 0.923 0.646 CB 1.668 66 residues pruned to eliminate duplicates Z: 72 70.295 2.380 0.866 0.609 0.958 0.634 CB 1.769 72 residues pruned to eliminate duplicates Z: 72 72.768 2.399 1.087 0.602 0.901 0.676 CB 1.737 72 residues pruned to eliminate duplicates Z: 55 53.449 2.305 0.862 0.614 0.889 0.704 CB 1.710 55 residues pruned to eliminate duplicates Z: 74 60.195 2.319 0.842 0.586 0.918 0.644 CB 1.655 74 residues pruned to eliminate duplicates Z: 87 68.728 2.347 0.997 0.577 0.919 0.593 CB 1.599 87 residues pruned to eliminate duplicates Z: 74 63.189 2.335 1.001 0.584 0.863 0.616 CB 1.692 74 residues pruned to eliminate duplicates Z: 75 66.440 2.373 0.995 0.560 0.892 0.595 CB 1.724 75 residues pruned to eliminate duplicates Z: 72 70.404 2.393 1.045 0.599 0.887 0.676 CB 1.750 72 residues pruned to eliminate duplicates Z: 67 68.257 2.352 1.035 0.644 0.894 0.712 CB 1.717 67 residues pruned to eliminate duplicates Z: 49 69.814 2.461 1.038 0.675 0.938 0.750 CB 1.823 49 residues pruned to eliminate duplicates Z: 48 73.203 2.474 1.168 0.705 0.894 0.787 CB 1.849 48 residues pruned to eliminate duplicates Z: 49 66.930 2.458 1.066 0.676 0.896 0.750 CB 1.805 49 residues pruned to eliminate duplicates Z: 81 67.530 2.356 0.950 0.559 0.925 0.588 CB 1.678 81 residues pruned to eliminate duplicates Z: 61 60.136 2.327 0.902 0.648 0.917 0.700 CB 1.667 61 residues pruned to eliminate duplicates Z: 115 82.911 2.387 0.942 0.550 0.939 0.561 CB 1.701 115 residues pruned to eliminate duplicates Z: 47 74.732 2.469 1.050 0.716 0.957 0.717 CB 1.871 47 residues pruned to eliminate duplicates Z: 72 65.587 2.354 1.032 0.548 0.901 0.648 CB 1.722 72 residues pruned to eliminate duplicates Z: 40 61.295 2.398 1.072 0.704 0.923 0.744 CB 1.778 40 residues pruned to eliminate duplicates Z: 70 69.262 2.380 1.068 0.570 0.913 0.710 CB 1.734 70 residues pruned to eliminate duplicates Z: 68 63.806 2.392 0.950 0.572 0.925 0.642 CB 1.685 68 residues pruned to eliminate duplicates Z: 87 71.168 2.382 0.939 0.563 0.907 0.628 CB 1.725 87 residues pruned to eliminate duplicates Z: 81 66.559 2.366 0.961 0.552 0.900 0.663 CB 1.693 81 residues pruned to eliminate duplicates Z: 54 65.048 2.284 1.212 0.691 0.925 0.717 CB 1.607 54 residues pruned to eliminate duplicates Z: 65 72.762 2.395 1.062 0.628 0.938 0.703 CB 1.741 65 residues pruned to eliminate duplicates Z: 124 92.920 2.406 1.047 0.581 0.902 0.626 CB 1.743 124 residues pruned to eliminate duplicates Z: 52 58.752 2.378 0.930 0.661 0.882 0.745 CB 1.750 52 residues pruned to eliminate duplicates Z: 66 68.208 2.337 1.032 0.617 0.923 0.662 CB 1.728 66 residues pruned to eliminate duplicates Z: 45 70.232 2.388 1.214 0.679 0.977 0.705 CB 1.738 45 residues pruned to eliminate duplicates Z: 79 69.986 2.374 1.064 0.586 0.910 0.679 CB 1.636 79 residues pruned to eliminate duplicates Z: 90 65.575 2.347 0.940 0.531 0.888 0.562 CB 1.668 90 residues pruned to eliminate duplicates Z: 73 71.491 2.371 1.006 0.585 0.931 0.639 CB 1.755 73 residues pruned to eliminate duplicates Z: 72 70.324 2.390 1.010 0.595 0.901 0.606 CB 1.760 72 residues pruned to eliminate duplicates Z: 17 21.515 1.969 0.871 0.590 0.938 0.562 CB 1.428 17 residues pruned to eliminate duplicates Z: 21 16.610 1.880 0.670 0.474 0.950 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 16 24.185 2.004 0.902 0.614 0.933 0.533 CB 1.576 16 residues pruned to eliminate duplicates Z: 16 17.900 2.009 0.769 0.539 0.933 0.467 CB 1.341 16 residues pruned to eliminate duplicates Z: 20 17.235 1.774 0.809 0.540 0.947 0.579 CB 1.251 20 residues pruned to eliminate duplicates Z: 26 31.705 2.197 1.024 0.568 0.920 0.640 CB 1.451 26 residues pruned to eliminate duplicates Z: 27 32.095 2.157 1.107 0.543 0.885 0.731 CB 1.501 27 residues pruned to eliminate duplicates Z: 11 25.075 2.531 1.171 0.487 0.800 0.600 CB 1.828 11 residues pruned to eliminate duplicates Z: 10 37.734 2.449 1.319 0.713 1.000 0.667 CA 1.826 11 residues pruned to eliminate duplicates Z: 6 11.405 2.048 1.437 0.328 1.000 0.800 CB 1.234 6 residues pruned to eliminate duplicates Z: 42 36.937 2.255 1.025 0.417 0.878 0.537 CB 1.569 42 residues pruned to eliminate duplicates Z: 11 24.851 2.315 1.082 0.468 0.900 0.800 CA 1.872 11 residues pruned to eliminate duplicates Z: 12 22.501 2.452 1.061 0.441 0.818 0.636 CB 1.744 12 residues pruned to eliminate duplicates Z: 40 37.170 2.273 0.804 0.448 0.923 0.487 CB 1.659 40 residues pruned to eliminate duplicates Z: 15 19.316 2.305 0.843 0.404 0.857 0.571 CB 1.567 15 residues pruned to eliminate duplicates Z: 111 78.697 2.358 0.940 0.535 0.927 0.682 CB 1.708 133 residues pruned to eliminate duplicates Z: 37 27.729 2.194 0.610 0.388 0.861 0.500 CB 1.711 37 residues pruned to eliminate duplicates Z: 144 99.341 2.417 0.933 0.593 0.923 0.685 CB 1.762 144 residues pruned to eliminate duplicates Z: 42 32.589 2.193 0.738 0.376 0.902 0.439 CB 1.690 42 residues pruned to eliminate duplicates Z: 34 24.687 2.211 0.502 0.430 0.879 0.515 CB 1.583 34 residues pruned to eliminate duplicates Z: 137 93.214 2.366 0.889 0.593 0.956 0.735 CB 1.711 137 residues pruned to eliminate duplicates Z: 103 69.050 2.320 0.934 0.536 0.902 0.618 CB 1.631 103 residues pruned to eliminate duplicates Z: 65 68.821 2.347 0.913 0.608 0.969 0.641 CB 1.785 65 residues pruned to eliminate duplicates Z: 72 65.932 2.325 0.892 0.590 0.944 0.676 CB 1.729 72 residues pruned to eliminate duplicates Z: 81 71.749 2.351 0.924 0.567 0.938 0.613 CB 1.774 81 residues pruned to eliminate duplicates Z: 42 31.329 2.255 0.798 0.376 0.854 0.463 CB 1.613 42 residues pruned to eliminate duplicates Z: 65 65.416 2.371 0.875 0.589 0.953 0.641 CB 1.772 65 residues pruned to eliminate duplicates Z: 32 25.553 2.219 0.812 0.378 0.806 0.419 CB 1.612 32 residues pruned to eliminate duplicates Z: 82 69.601 2.360 0.948 0.564 0.889 0.642 CB 1.778 82 residues pruned to eliminate duplicates Z: 22 26.268 2.299 0.828 0.385 0.857 0.476 C 1.799 22 residues pruned to eliminate duplicates Z: 89 82.246 2.430 1.007 0.586 0.943 0.659 CB 1.755 89 residues pruned to eliminate duplicates Z: 124 101.166 2.455 0.941 0.627 0.935 0.724 CB 1.817 124 residues pruned to eliminate duplicates Z: 41 35.807 2.285 0.848 0.390 0.925 0.425 CB 1.629 41 residues pruned to eliminate duplicates Z: 21 31.171 2.369 0.865 0.431 0.900 0.400 CB 1.882 21 residues pruned to eliminate duplicates Z: 14 14.191 2.259 0.666 0.225 0.846 0.154 CB 1.705 14 residues pruned to eliminate duplicates Z: 18 12.597 2.115 0.518 0.275 0.765 0.353 CB 1.605 18 residues pruned to eliminate duplicates Z: 90 81.172 2.421 1.000 0.589 0.933 0.708 CB 1.749 90 residues pruned to eliminate duplicates Z: 12 11.187 2.304 0.696 0.184 0.818 0.091 CB 1.542 12 residues pruned to eliminate duplicates Z: 13 9.708 2.048 0.884 0.131 0.750 0.000 CB 1.534 13 residues pruned to eliminate duplicates Z: 20 36.194 2.451 1.001 0.438 0.947 0.368 CB 1.907 20 residues pruned to eliminate duplicates Z: 124 102.410 2.448 0.911 0.623 0.967 0.748 CB 1.816 124 residues pruned to eliminate duplicates Z: 89 81.795 2.451 0.997 0.601 0.932 0.705 CB 1.737 89 residues pruned to eliminate duplicates Z: 70 76.663 2.415 0.968 0.619 0.928 0.623 CB 1.870 70 residues pruned to eliminate duplicates Z: 89 79.147 2.418 0.957 0.583 0.943 0.659 CB 1.745 89 residues pruned to eliminate duplicates Z: 14 11.171 2.281 0.833 0.157 0.692 0.077 C 1.631 14 residues pruned to eliminate duplicates Z: 59 75.467 2.475 1.093 0.652 0.914 0.741 CB 1.817 59 residues pruned to eliminate duplicates Z: 125 97.767 2.438 0.905 0.613 0.944 0.702 CB 1.799 125 residues pruned to eliminate duplicates Z: 145 98.626 2.400 0.851 0.588 0.965 0.694 CB 1.763 145 residues pruned to eliminate duplicates Z: 89 80.053 2.421 0.991 0.581 0.943 0.716 CB 1.737 89 residues pruned to eliminate duplicates Z: 135 88.732 2.373 0.850 0.594 0.925 0.687 CB 1.725 135 residues pruned to eliminate duplicates Z: 108 92.985 2.376 0.863 0.655 0.991 0.748 CB 1.775 108 residues pruned to eliminate duplicates Z: 90 83.106 2.425 0.962 0.602 0.944 0.697 CB 1.780 90 residues pruned to eliminate duplicates Z: 90 83.449 2.421 1.043 0.591 0.933 0.640 CB 1.757 90 residues pruned to eliminate duplicates Z: 41 64.456 2.349 1.111 0.755 0.950 0.750 CB 1.724 41 residues pruned to eliminate duplicates Z: 125 106.033 2.437 0.954 0.633 0.976 0.718 CB 1.810 125 residues pruned to eliminate duplicates Z: 71 65.244 2.348 0.972 0.614 0.900 0.543 CB 1.681 71 residues pruned to eliminate duplicates Z: 83 74.667 2.354 0.989 0.578 0.927 0.622 CB 1.762 83 residues pruned to eliminate duplicates Z: 89 82.967 2.402 1.122 0.604 0.909 0.670 CB 1.729 89 residues pruned to eliminate duplicates Z: 64 63.985 2.329 0.950 0.591 0.921 0.587 CB 1.768 64 residues pruned to eliminate duplicates Z: 90 87.732 2.424 1.095 0.601 0.944 0.697 CB 1.762 90 residues pruned to eliminate duplicates Z: 125 99.972 2.412 0.962 0.620 0.944 0.685 CB 1.795 125 residues pruned to eliminate duplicates Z: 127 103.589 2.420 0.968 0.631 0.960 0.738 CB 1.785 127 residues pruned to eliminate duplicates Z: 61 78.801 2.433 1.183 0.643 0.917 0.650 CB 1.829 61 residues pruned to eliminate duplicates Z: 74 65.524 2.308 0.981 0.586 0.918 0.616 CB 1.682 74 residues pruned to eliminate duplicates Z: 41 73.782 2.399 1.212 0.763 0.975 0.800 CB 1.786 41 residues pruned to eliminate duplicates Z: 111 94.379 2.408 0.942 0.635 0.964 0.736 CB 1.759 111 residues pruned to eliminate duplicates Z: 107 97.812 2.420 0.965 0.653 0.953 0.736 CB 1.819 107 residues pruned to eliminate duplicates Z: 47 74.895 2.484 1.102 0.685 0.913 0.674 CB 1.954 47 residues pruned to eliminate duplicates Z: 61 73.277 2.434 1.053 0.652 0.900 0.683 CB 1.826 61 residues pruned to eliminate duplicates Z: 137 98.654 2.379 0.955 0.602 0.949 0.699 CB 1.740 137 residues pruned to eliminate duplicates Z: 60 75.044 2.426 1.083 0.635 0.932 0.729 CB 1.828 60 residues pruned to eliminate duplicates Z: 96 73.292 2.306 1.052 0.569 0.905 0.663 CB 1.642 50 residues pruned to eliminate duplicates Z: 26 65.186 2.477 1.064 0.882 0.960 0.800 C 1.922 26 residues pruned to eliminate duplicates Z: 110 92.039 2.395 0.933 0.647 0.936 0.734 CB 1.774 51 residues pruned to eliminate duplicates Z: 6 3.475 1.513 0.612 0.330 0.800 0.800 CB 0.960 6 residues pruned to eliminate duplicates Z: 147 95.014 2.371 0.926 0.574 0.938 0.664 CB 1.709 147 residues pruned to eliminate duplicates Z: 66 82.778 2.414 1.070 0.674 0.969 0.738 CB 1.806 66 residues pruned to eliminate duplicates Z: 69 79.820 2.420 1.108 0.668 0.926 0.750 CB 1.752 69 residues pruned to eliminate duplicates Z: 75 72.167 2.329 1.053 0.613 0.932 0.608 CB 1.691 75 residues pruned to eliminate duplicates Z: 59 69.351 2.419 1.062 0.636 0.897 0.638 CB 1.792 59 residues pruned to eliminate duplicates Z: 145 98.848 2.395 0.906 0.585 0.944 0.660 CB 1.761 145 residues pruned to eliminate duplicates Z: 125 104.982 2.441 0.981 0.644 0.935 0.702 CB 1.821 125 residues pruned to eliminate duplicates Z: 156 96.472 2.328 0.922 0.587 0.935 0.639 CB 1.704 156 residues pruned to eliminate duplicates Z: 105 96.042 2.412 0.952 0.616 0.981 0.673 CB 1.828 105 residues pruned to eliminate duplicates Z: 105 103.962 2.434 0.980 0.692 0.981 0.750 CB 1.809 105 residues pruned to eliminate duplicates Z: 136 100.672 2.381 0.929 0.619 0.963 0.733 CB 1.750 136 residues pruned to eliminate duplicates Z: 109 95.737 2.397 0.945 0.656 0.972 0.750 CB 1.758 109 residues pruned to eliminate duplicates Z: 106 101.041 2.421 0.992 0.669 0.981 0.762 CB 1.783 106 residues pruned to eliminate duplicates Z: 112 89.435 2.390 0.936 0.597 0.946 0.703 CB 1.768 112 residues pruned to eliminate duplicates Z: 145 99.942 2.387 0.924 0.584 0.958 0.667 CB 1.745 145 residues pruned to eliminate duplicates Z: 109 83.940 2.369 1.001 0.531 0.935 0.620 CB 1.767 109 residues pruned to eliminate duplicates Z: 145 98.502 2.380 0.923 0.594 0.938 0.653 CB 1.748 145 residues pruned to eliminate duplicates Z: 125 106.217 2.444 0.980 0.640 0.960 0.758 CB 1.802 125 residues pruned to eliminate duplicates Z: 60 60.247 2.419 0.821 0.607 0.949 0.831 CB 1.694 60 residues pruned to eliminate duplicates Z: 125 104.861 2.427 0.998 0.627 0.960 0.750 CB 1.796 125 residues pruned to eliminate duplicates Z: 110 102.060 2.378 1.008 0.665 0.982 0.807 CB 1.790 110 residues pruned to eliminate duplicates Z: 144 104.643 2.423 0.994 0.593 0.930 0.671 CB 1.783 144 residues pruned to eliminate duplicates Z: 107 95.787 2.412 0.942 0.659 0.972 0.745 CB 1.763 107 residues pruned to eliminate duplicates Z: 80 71.631 2.366 0.865 0.595 0.975 0.759 CB 1.712 80 residues pruned to eliminate duplicates Z: 61 57.049 2.343 0.747 0.570 0.950 0.733 CB 1.771 64 residues pruned to eliminate duplicates Z: 6 5.302 2.135 0.488 0.250 1.000 0.600 CB 0.995 6 residues pruned to eliminate duplicates Z: 58 56.032 2.360 0.658 0.589 0.982 0.702 CB 1.773 58 residues pruned to eliminate duplicates Z: 38 44.274 2.396 1.008 0.550 0.946 0.649 CB 1.524 38 residues pruned to eliminate duplicates Z: 88 94.176 2.465 1.145 0.618 0.954 0.724 CB 1.790 88 residues pruned to eliminate duplicates Z: 73 69.153 2.364 0.880 0.600 0.958 0.778 CB 1.740 73 residues pruned to eliminate duplicates Z: 125 104.844 2.438 0.976 0.628 0.968 0.750 CB 1.790 125 residues pruned to eliminate duplicates Z: 131 103.766 2.409 0.964 0.625 0.962 0.754 CB 1.778 131 residues pruned to eliminate duplicates Z: 167 102.039 2.377 0.786 0.617 0.940 0.741 CB 1.777 167 residues pruned to eliminate duplicates Z: 105 92.830 2.413 0.914 0.648 0.971 0.788 CB 1.768 105 residues pruned to eliminate duplicates Z: 85 75.788 2.385 0.941 0.613 0.940 0.679 CB 1.706 85 residues pruned to eliminate duplicates Z: 138 96.703 2.390 0.910 0.596 0.949 0.686 CB 1.741 138 residues pruned to eliminate duplicates Z: 40 47.046 2.420 0.603 0.591 0.974 0.769 CB 1.827 40 residues pruned to eliminate duplicates Z: 98 71.792 2.310 0.909 0.579 0.918 0.577 CB 1.670 98 residues pruned to eliminate duplicates Z: 97 88.849 2.401 0.937 0.635 0.948 0.698 CB 1.813 97 residues pruned to eliminate duplicates Z: 42 49.509 2.318 0.655 0.641 1.000 0.732 CB 1.767 42 residues pruned to eliminate duplicates Z: 42 56.094 2.341 0.799 0.645 1.000 0.780 CB 1.817 42 residues pruned to eliminate duplicates Z: 15 34.405 2.400 0.464 0.900 1.000 1.000 CA 1.869 15 residues pruned to eliminate duplicates Z: 41 54.715 2.351 0.720 0.673 0.975 0.775 CB 1.871 41 residues pruned to eliminate duplicates Z: 17 33.705 2.292 0.500 0.880 1.000 0.938 CA 1.777 17 residues pruned to eliminate duplicates Z: 98 88.046 2.369 0.892 0.634 0.969 0.670 CB 1.814 98 residues pruned to eliminate duplicates Z: 56 48.411 2.193 0.874 0.542 0.927 0.709 CB 1.643 56 residues pruned to eliminate duplicates Z: 83 72.820 2.352 0.789 0.613 0.976 0.756 CB 1.761 83 residues pruned to eliminate duplicates Z: 44 51.846 2.321 0.847 0.597 0.907 0.674 CB 1.853 44 residues pruned to eliminate duplicates Z: 30 36.546 2.254 0.834 0.600 0.897 0.586 CB 1.664 30 residues pruned to eliminate duplicates Z: 125 103.633 2.429 0.940 0.623 0.968 0.734 CB 1.817 125 residues pruned to eliminate duplicates Z: 92 86.565 2.365 0.880 0.646 0.978 0.780 CB 1.820 145 residues pruned to eliminate duplicates Z: 41 54.034 2.366 0.830 0.643 0.950 0.725 CB 1.817 41 residues pruned to eliminate duplicates Z: 42 60.541 2.356 0.860 0.668 0.976 0.805 CB 1.894 42 residues pruned to eliminate duplicates Z: 16 40.840 2.454 0.642 0.862 1.000 0.800 CB 1.922 16 residues pruned to eliminate duplicates Z: 72 69.410 2.415 0.775 0.615 0.986 0.704 CB 1.747 72 residues pruned to eliminate duplicates Z: 73 67.627 2.393 0.801 0.598 0.958 0.764 CB 1.757 73 residues pruned to eliminate duplicates Z: 43 57.066 2.369 0.710 0.660 1.000 0.667 CB 1.874 43 residues pruned to eliminate duplicates Z: 6 28.275 2.593 0.684 0.863 1.000 1.000 C 2.124 6 residues pruned to eliminate duplicates Z: 42 54.416 2.366 0.746 0.646 0.976 0.756 CB 1.840 42 residues pruned to eliminate duplicates Z: 84 85.489 2.391 0.936 0.649 0.952 0.723 CB 1.854 84 residues pruned to eliminate duplicates Z: 39 62.114 2.467 0.762 0.698 1.000 0.789 CB 1.935 41 residues pruned to eliminate duplicates Z: 9 30.431 2.433 0.656 0.873 1.000 1.000 CA 1.944 9 residues pruned to eliminate duplicates Z: 43 53.121 2.350 0.658 0.654 1.000 0.738 CB 1.824 43 residues pruned to eliminate duplicates Z: 42 52.999 2.348 0.724 0.649 1.000 0.707 CB 1.780 42 residues pruned to eliminate duplicates Z: 129 97.907 2.418 0.937 0.615 0.938 0.727 CB 1.768 129 residues pruned to eliminate duplicates Z: 86 76.346 2.337 0.802 0.629 0.976 0.753 CB 1.783 86 residues pruned to eliminate duplicates Z: 41 56.130 2.351 0.838 0.656 0.975 0.775 CB 1.822 41 residues pruned to eliminate duplicates Z: 97 89.290 2.403 0.911 0.643 0.938 0.677 CB 1.853 97 residues pruned to eliminate duplicates Z: 107 98.694 2.406 0.916 0.663 1.000 0.774 CB 1.788 107 residues pruned to eliminate duplicates Z: 43 63.178 2.416 0.768 0.709 0.976 0.786 CB 1.933 43 residues pruned to eliminate duplicates Z: 42 58.248 2.376 0.717 0.696 0.976 0.780 CB 1.912 41 residues pruned to eliminate duplicates Z: 6 9.497 1.729 0.946 0.441 1.000 0.800 CA 1.341 Z: 7 4.130 1.318 0.612 0.545 0.667 0.500 N 1.139 Z: 6 6.085 1.819 0.640 0.333 1.000 0.400 CB 1.095 Z: 19 29.814 2.155 0.522 0.775 1.000 0.778 C 1.681 Z: 18 29.187 2.214 0.525 0.800 0.941 0.765 CB 1.714 18 residues pruned to eliminate duplicates Z: 16 24.485 2.304 0.225 0.878 0.933 0.867 CB 1.742 16 residues pruned to eliminate duplicates Z: 41 55.201 2.354 0.897 0.631 0.950 0.725 CB 1.819 19 residues pruned to eliminate duplicates Z: 16 34.651 2.317 0.518 0.923 1.000 0.867 CB 1.788 16 residues pruned to eliminate duplicates Z: 43 56.392 2.322 0.913 0.646 0.976 0.714 CB 1.751 42 residues pruned to eliminate duplicates Z: 17 31.899 2.251 0.459 0.906 1.000 0.812 CB 1.728 17 residues pruned to eliminate duplicates Z: 53 56.709 2.316 0.840 0.607 0.981 0.769 CB 1.699 48 residues pruned to eliminate duplicates Z: 16 39.125 2.254 0.737 0.932 1.000 0.867 C 1.802 16 residues pruned to eliminate duplicates Z: 44 53.472 2.270 0.978 0.613 0.953 0.628 CB 1.713 44 residues pruned to eliminate duplicates Z: 53 52.527 2.255 0.870 0.602 0.962 0.750 CB 1.629 53 residues pruned to eliminate duplicates Z: 43 53.811 2.308 0.967 0.625 0.952 0.714 CB 1.707 43 residues pruned to eliminate duplicates Z: 43 57.136 2.337 0.933 0.656 0.976 0.762 CB 1.729 43 residues pruned to eliminate duplicates Z: 36 52.895 2.361 0.873 0.660 0.971 0.743 CB 1.795 36 residues pruned to eliminate duplicates Z: 45 50.837 2.240 0.826 0.614 0.977 0.682 CB 1.721 45 residues pruned to eliminate duplicates Z: 54 57.473 2.307 0.897 0.596 0.981 0.755 CB 1.678 54 residues pruned to eliminate duplicates Z: 12 32.063 2.338 1.007 0.710 1.000 0.818 CA 1.703 12 residues pruned to eliminate duplicates Z: 51 60.805 2.390 0.891 0.616 0.980 0.820 CB 1.739 51 residues pruned to eliminate duplicates Z: 42 54.444 2.314 0.865 0.637 0.976 0.732 CB 1.775 42 residues pruned to eliminate duplicates Z: 41 59.066 2.354 0.942 0.654 1.000 0.825 CB 1.771 42 residues pruned to eliminate duplicates Z: 9 33.612 2.404 0.867 0.816 1.000 1.000 CA 2.012 9 residues pruned to eliminate duplicates Z: 39 43.639 2.239 0.772 0.634 0.921 0.763 CB 1.709 39 residues pruned to eliminate duplicates Z: 53 52.370 2.285 0.853 0.605 0.962 0.788 CB 1.615 53 residues pruned to eliminate duplicates Z: 42 59.213 2.324 0.936 0.673 1.000 0.780 CB 1.751 42 residues pruned to eliminate duplicates Z: 37 56.347 2.358 0.998 0.679 0.944 0.806 CB 1.789 37 residues pruned to eliminate duplicates Z: 44 56.997 2.328 1.001 0.648 0.930 0.721 CB 1.749 44 residues pruned to eliminate duplicates Z: 38 61.577 2.329 1.080 0.695 0.973 0.730 CB 1.797 37 residues pruned to eliminate duplicates Z: 6 8.055 1.622 0.967 0.451 1.000 0.800 N 1.187 6 residues pruned to eliminate duplicates Z: 52 63.578 2.361 0.962 0.616 0.980 0.765 CB 1.756 53 residues pruned to eliminate duplicates Z: 7 6.253 1.680 0.562 0.410 0.833 0.667 CB 1.282 7 residues pruned to eliminate duplicates Z: 7 7.991 1.908 0.582 0.394 1.000 0.500 CB 1.209 7 residues pruned to eliminate duplicates Z: 52 60.046 2.377 0.890 0.602 0.961 0.804 CB 1.768 52 residues pruned to eliminate duplicates 317 residues left after pruning, divided into chains as follows: A: 198 B: 67 C: 52 CC for partial structure against native data = 44.52 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.485, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.552, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.657, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.661, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.669, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.670, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.673, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.673, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.673, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2772 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 559 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 69.946 2.591 1.084 0.963 1.000 0.857 CB 1.933 B: 25 73.205 2.508 1.148 0.943 1.000 0.917 C 1.922 C: 25 68.010 2.502 1.024 0.940 1.000 0.958 C 1.904 25 residues pruned to eliminate duplicates D: 28 58.414 2.361 0.983 0.926 0.963 0.852 CB 1.749 26 residues pruned to eliminate duplicates E: 28 56.485 2.344 0.926 0.929 0.963 0.815 CB 1.750 29 residues pruned to eliminate duplicates F: 27 64.338 2.423 0.985 0.945 1.000 0.885 CB 1.815 28 residues pruned to eliminate duplicates G: 12 30.803 2.401 0.498 0.809 1.000 0.818 CB 1.973 11 residues pruned to eliminate duplicates H: 25 69.389 2.494 1.015 0.957 1.000 0.958 C 1.934 25 residues pruned to eliminate duplicates I: 28 29.333 2.107 0.938 0.542 0.889 0.593 CB 1.494 J: 27 55.337 2.341 0.907 0.924 0.962 0.846 CB 1.775 27 residues pruned to eliminate duplicates K: 38 65.493 2.404 1.113 0.686 0.973 0.757 CB 1.837 L: 28 51.262 2.314 0.760 0.911 1.000 0.778 CB 1.717 27 residues pruned to eliminate duplicates M: 6 8.688 2.123 0.238 0.613 0.800 0.400 CB 1.660 N: 106 93.748 2.389 0.871 0.661 0.981 0.752 CB 1.797 26 residues pruned to eliminate duplicates O: 27 57.798 2.415 0.836 0.914 0.962 0.885 CB 1.882 23 residues pruned to eliminate duplicates P: 24 68.688 2.502 1.038 0.940 1.000 0.913 C 1.951 24 residues pruned to eliminate duplicates Q: 25 67.622 2.498 1.005 0.941 1.000 0.792 C 1.913 25 residues pruned to eliminate duplicates R: 23 64.452 2.458 1.061 0.933 1.000 0.909 CB 1.894 23 residues pruned to eliminate duplicates S: 26 68.374 2.463 1.031 0.942 1.000 0.880 C 1.896 28 residues pruned to eliminate duplicates T: 25 73.989 2.510 1.136 0.958 1.000 0.833 CB 1.932 25 residues pruned to eliminate duplicates U: 27 68.335 2.377 1.164 0.927 1.000 0.846 CB 1.826 27 residues pruned to eliminate duplicates V: 26 65.391 2.446 1.015 0.940 1.000 0.840 CB 1.843 26 residues pruned to eliminate duplicates W: 15 33.652 2.322 0.576 0.895 0.929 0.929 C 1.897 15 residues pruned to eliminate duplicates X: 40 40.239 2.366 0.939 0.411 0.897 0.564 CB 1.718 18 residues pruned to eliminate duplicates Y: 24 38.659 2.273 1.268 0.507 0.913 0.522 CB 1.701 24 residues pruned to eliminate duplicates Z: 63 69.653 2.380 0.943 0.637 0.968 0.677 CB 1.739 64 residues pruned to eliminate duplicates Z: 10 35.851 2.351 0.832 0.903 1.000 1.000 CA 1.978 Z: 9 29.961 2.555 0.521 0.892 1.000 1.000 CA 1.959 9 residues pruned to eliminate duplicates Z: 15 30.367 2.318 0.286 0.954 1.000 1.000 C 1.873 15 residues pruned to eliminate duplicates Z: 37 67.296 2.444 1.225 0.680 0.944 0.750 CB 1.850 37 residues pruned to eliminate duplicates Z: 10 27.771 2.385 0.622 0.885 1.000 1.000 CB 1.729 10 residues pruned to eliminate duplicates Z: 29 53.884 2.318 0.869 0.923 0.964 0.821 CB 1.713 29 residues pruned to eliminate duplicates Z: 52 58.326 2.371 0.815 0.616 0.961 0.765 CB 1.770 10 residues pruned to eliminate duplicates Z: 29 63.418 2.322 1.086 0.919 0.964 0.857 CB 1.809 29 residues pruned to eliminate duplicates Z: 70 82.456 2.411 1.087 0.676 0.957 0.783 CB 1.754 70 residues pruned to eliminate duplicates Z: 37 75.419 2.440 1.246 0.716 0.972 0.806 CB 1.940 38 residues pruned to eliminate duplicates Z: 48 60.990 2.375 0.818 0.634 0.979 0.787 CB 1.856 48 residues pruned to eliminate duplicates Z: 73 54.356 2.199 0.976 0.607 0.889 0.694 CB 1.498 25 residues pruned to eliminate duplicates Z: 10 22.726 2.337 0.608 0.883 0.889 0.889 CA 1.640 10 residues pruned to eliminate duplicates Z: 9 31.550 2.414 0.842 0.859 1.000 0.750 CA 1.847 9 residues pruned to eliminate duplicates Z: 11 35.045 2.198 0.911 0.929 1.000 0.700 CA 1.846 11 residues pruned to eliminate duplicates Z: 15 25.438 2.217 0.274 0.905 0.929 0.929 C 1.846 15 residues pruned to eliminate duplicates Z: 10 28.291 2.287 0.554 0.917 1.000 0.667 C 1.873 10 residues pruned to eliminate duplicates Z: 76 60.754 2.343 0.930 0.553 0.880 0.680 CB 1.675 64 residues pruned to eliminate duplicates Z: 16 38.694 2.359 0.822 0.835 0.933 0.867 CB 1.865 16 residues pruned to eliminate duplicates Z: 25 68.612 2.534 0.912 0.956 1.000 0.875 CB 1.985 25 residues pruned to eliminate duplicates Z: 51 56.779 2.325 0.864 0.562 0.980 0.760 CB 1.780 51 residues pruned to eliminate duplicates Z: 6 23.111 2.557 0.407 0.849 1.000 1.000 CB 2.130 6 residues pruned to eliminate duplicates Z: 108 92.797 2.395 1.062 0.615 0.916 0.673 CB 1.779 145 residues pruned to eliminate duplicates Z: 12 20.297 2.391 0.749 0.484 0.909 0.818 CB 1.636 12 residues pruned to eliminate duplicates Z: 16 43.355 2.344 0.819 0.918 1.000 0.867 CA 1.851 16 residues pruned to eliminate duplicates Z: 10 34.067 2.373 0.842 0.891 1.000 0.889 CB 1.867 10 residues pruned to eliminate duplicates Z: 16 42.121 2.415 0.714 0.912 1.000 0.867 CA 1.860 16 residues pruned to eliminate duplicates Z: 28 51.295 2.354 0.739 0.931 0.963 0.852 CB 1.750 28 residues pruned to eliminate duplicates Z: 26 68.429 2.516 0.942 0.959 1.000 0.960 CB 1.919 26 residues pruned to eliminate duplicates Z: 26 75.991 2.447 1.255 0.954 1.000 0.880 C 1.894 26 residues pruned to eliminate duplicates Z: 16 20.208 1.991 0.953 0.561 0.867 0.733 CB 1.460 16 residues pruned to eliminate duplicates Z: 20 27.242 2.360 1.157 0.467 0.789 0.579 CB 1.607 21 residues pruned to eliminate duplicates Z: 25 56.471 2.492 0.649 0.938 1.000 1.000 CB 1.950 25 residues pruned to eliminate duplicates Z: 32 63.959 2.374 1.122 0.734 1.000 0.742 CB 1.848 Z: 27 74.322 2.415 1.355 0.945 0.962 0.923 CB 1.845 27 residues pruned to eliminate duplicates Z: 25 75.971 2.502 1.259 0.945 1.000 0.917 C 1.899 25 residues pruned to eliminate duplicates Z: 11 22.567 2.367 1.197 0.485 0.800 0.800 CB 1.741 11 residues pruned to eliminate duplicates Z: 15 21.444 2.136 1.229 0.421 0.786 0.714 CA 1.663 15 residues pruned to eliminate duplicates Z: 27 64.655 2.364 1.021 0.922 1.000 0.808 C 1.867 27 residues pruned to eliminate duplicates Z: 8 19.628 2.080 0.688 0.794 1.000 0.857 C 1.632 8 residues pruned to eliminate duplicates Z: 9 31.649 2.514 0.574 0.901 1.000 1.000 CA 2.019 9 residues pruned to eliminate duplicates Z: 125 105.746 2.441 0.958 0.647 0.944 0.726 CB 1.836 125 residues pruned to eliminate duplicates Z: 39 61.357 2.365 1.076 0.697 0.947 0.684 CB 1.788 33 residues pruned to eliminate duplicates Z: 125 103.849 2.424 0.937 0.637 0.960 0.710 CB 1.821 125 residues pruned to eliminate duplicates Z: 27 71.925 2.419 1.201 0.944 1.000 0.846 CB 1.835 27 residues pruned to eliminate duplicates Z: 15 41.436 2.460 0.663 0.917 1.000 0.929 CB 1.911 15 residues pruned to eliminate duplicates Z: 28 68.597 2.365 1.127 0.926 1.000 0.852 CB 1.840 28 residues pruned to eliminate duplicates Z: 40 60.205 2.344 1.066 0.663 0.949 0.615 CB 1.805 40 residues pruned to eliminate duplicates Z: 28 68.477 2.360 1.089 0.936 1.000 0.889 CB 1.862 28 residues pruned to eliminate duplicates Z: 106 99.762 2.411 0.990 0.673 0.952 0.819 CB 1.816 106 residues pruned to eliminate duplicates Z: 27 56.351 2.350 0.852 0.921 1.000 0.846 CB 1.787 27 residues pruned to eliminate duplicates Z: 27 21.365 2.077 0.696 0.408 0.885 0.462 CB 1.481 27 residues pruned to eliminate duplicates Z: 16 27.047 2.400 0.181 0.884 1.000 0.933 CB 1.780 16 residues pruned to eliminate duplicates Z: 11 21.843 2.188 0.416 0.885 0.900 0.800 CA 1.789 11 residues pruned to eliminate duplicates Z: 25 72.471 2.481 1.190 0.947 1.000 0.917 C 1.882 25 residues pruned to eliminate duplicates Z: 17 32.819 2.314 0.435 0.907 1.000 1.000 CB 1.755 17 residues pruned to eliminate duplicates Z: 66 62.311 2.370 0.925 0.636 0.908 0.708 CB 1.643 66 residues pruned to eliminate duplicates Z: 31 26.863 2.275 0.615 0.449 0.933 0.567 CB 1.507 31 residues pruned to eliminate duplicates Z: 17 31.954 2.218 0.536 0.901 0.938 0.875 CA 1.786 17 residues pruned to eliminate duplicates Z: 68 67.651 2.328 1.002 0.624 0.940 0.731 CB 1.677 68 residues pruned to eliminate duplicates Z: 26 78.421 2.477 1.263 0.955 1.000 0.920 CB 1.923 26 residues pruned to eliminate duplicates Z: 25 67.964 2.515 1.018 0.925 1.000 0.833 C 1.918 25 residues pruned to eliminate duplicates Z: 26 70.879 2.446 1.202 0.938 0.960 0.800 C 1.905 26 residues pruned to eliminate duplicates Z: 15 29.512 2.306 0.340 0.908 1.000 0.929 CB 1.813 15 residues pruned to eliminate duplicates Z: 7 12.020 2.182 0.178 0.866 0.833 0.500 CA 1.676 7 residues pruned to eliminate duplicates Z: 26 64.837 2.458 1.025 0.950 0.960 0.880 C 1.872 26 residues pruned to eliminate duplicates Z: 9 33.215 2.546 0.721 0.855 1.000 1.000 CA 1.979 9 residues pruned to eliminate duplicates Z: 18 20.071 2.233 1.003 0.441 0.765 0.412 CB 1.512 18 residues pruned to eliminate duplicates Z: 54 53.397 2.298 0.693 0.625 0.962 0.717 CB 1.741 54 residues pruned to eliminate duplicates Z: 40 57.234 2.326 1.094 0.658 0.923 0.692 CB 1.760 40 residues pruned to eliminate duplicates Z: 16 35.876 2.410 0.516 0.876 1.000 0.933 CA 1.843 16 residues pruned to eliminate duplicates Z: 26 70.268 2.433 1.255 0.941 0.960 0.840 C 1.851 26 residues pruned to eliminate duplicates Z: 27 61.393 2.359 1.074 0.912 0.962 0.885 C 1.813 27 residues pruned to eliminate duplicates Z: 25 71.086 2.508 1.102 0.930 1.000 0.875 C 1.924 25 residues pruned to eliminate duplicates Z: 9 31.597 2.442 0.661 0.907 1.000 1.000 CA 1.958 9 residues pruned to eliminate duplicates Z: 9 30.360 2.556 0.588 0.877 1.000 1.000 CA 1.921 9 residues pruned to eliminate duplicates Z: 15 38.865 2.431 0.631 0.933 1.000 0.929 CB 1.828 15 residues pruned to eliminate duplicates Z: 78 70.141 2.363 1.076 0.590 0.896 0.688 CB 1.669 101 residues pruned to eliminate duplicates Z: 53 53.995 2.309 0.740 0.616 0.962 0.769 CB 1.736 53 residues pruned to eliminate duplicates Z: 15 47.746 2.447 0.930 0.929 1.000 1.000 CB 1.891 15 residues pruned to eliminate duplicates Z: 25 18.398 2.208 0.645 0.388 0.833 0.583 CB 1.397 25 residues pruned to eliminate duplicates Z: 17 29.508 2.211 0.630 0.833 0.938 0.688 CB 1.638 17 residues pruned to eliminate duplicates Z: 60 57.301 2.344 0.646 0.589 0.983 0.814 CB 1.806 60 residues pruned to eliminate duplicates Z: 25 70.943 2.502 1.048 0.947 1.000 0.958 C 1.954 25 residues pruned to eliminate duplicates Z: 16 43.528 2.419 0.788 0.886 1.000 0.800 CA 1.875 16 residues pruned to eliminate duplicates Z: 27 65.707 2.429 1.168 0.948 0.923 0.808 CB 1.831 27 residues pruned to eliminate duplicates Z: 38 67.943 2.386 1.120 0.701 1.000 0.649 CB 1.839 39 residues pruned to eliminate duplicates Z: 10 28.439 2.322 0.669 0.913 1.000 1.000 C 1.732 10 residues pruned to eliminate duplicates Z: 107 98.384 2.449 1.020 0.626 0.953 0.708 CB 1.800 107 residues pruned to eliminate duplicates Z: 16 24.928 2.264 0.384 0.856 0.867 0.867 CB 1.747 16 residues pruned to eliminate duplicates Z: 23 70.350 2.428 1.425 0.951 0.955 0.864 C 1.839 23 residues pruned to eliminate duplicates Z: 17 33.229 2.264 0.551 0.898 1.000 0.875 CB 1.693 17 residues pruned to eliminate duplicates Z: 32 59.981 2.379 1.034 0.696 0.968 0.710 C 1.924 32 residues pruned to eliminate duplicates Z: 16 32.681 2.258 0.393 0.930 1.000 0.933 C 1.877 16 residues pruned to eliminate duplicates Z: 72 65.022 2.309 0.989 0.630 0.915 0.648 CB 1.624 72 residues pruned to eliminate duplicates Z: 17 14.534 1.858 0.528 0.532 0.938 0.438 CB 1.323 17 residues pruned to eliminate duplicates Z: 64 70.240 2.367 1.031 0.633 0.937 0.746 CB 1.734 64 residues pruned to eliminate duplicates Z: 16 37.643 2.268 0.677 0.938 1.000 0.867 C 1.776 16 residues pruned to eliminate duplicates Z: 41 60.817 2.381 0.775 0.694 1.000 0.800 CB 1.906 41 residues pruned to eliminate duplicates Z: 17 41.690 2.271 0.848 0.857 1.000 0.750 CB 1.830 17 residues pruned to eliminate duplicates Z: 7 12.515 2.260 0.317 0.773 0.833 0.667 CB 1.618 7 residues pruned to eliminate duplicates Z: 25 62.040 2.500 0.832 0.950 1.000 0.917 CB 1.908 25 residues pruned to eliminate duplicates Z: 24 22.034 2.172 0.754 0.431 0.826 0.478 CB 1.569 24 residues pruned to eliminate duplicates Z: 75 64.877 2.290 1.010 0.613 0.919 0.635 CB 1.603 75 residues pruned to eliminate duplicates Z: 128 101.200 2.405 0.923 0.622 0.969 0.701 CB 1.788 128 residues pruned to eliminate duplicates Z: 25 73.985 2.506 1.193 0.943 1.000 0.833 C 1.905 25 residues pruned to eliminate duplicates Z: 26 77.624 2.429 1.411 0.935 1.000 0.880 C 1.847 26 residues pruned to eliminate duplicates Z: 53 68.840 2.334 1.080 0.635 0.981 0.788 CB 1.766 52 residues pruned to eliminate duplicates Z: 25 73.073 2.553 1.005 0.948 1.000 0.792 CB 2.012 25 residues pruned to eliminate duplicates Z: 34 32.784 2.222 0.742 0.505 0.879 0.636 CB 1.670 34 residues pruned to eliminate duplicates Z: 18 35.346 2.224 0.829 0.822 0.941 0.706 CA 1.695 18 residues pruned to eliminate duplicates Z: 85 81.702 2.447 1.014 0.597 0.929 0.714 CB 1.777 85 residues pruned to eliminate duplicates Z: 16 39.891 2.253 0.802 0.931 1.000 0.867 C 1.772 16 residues pruned to eliminate duplicates Z: 17 37.139 2.234 0.657 0.917 1.000 0.812 CB 1.771 17 residues pruned to eliminate duplicates Z: 25 76.491 2.501 1.318 0.946 1.000 0.875 C 1.863 25 residues pruned to eliminate duplicates Z: 10 29.766 2.302 0.796 0.876 1.000 0.889 C 1.745 10 residues pruned to eliminate duplicates Z: 15 23.492 2.267 1.308 0.438 0.786 0.643 CB 1.628 6 residues pruned to eliminate duplicates Z: 15 37.735 2.282 0.917 0.891 0.929 0.714 C 1.784 15 residues pruned to eliminate duplicates Z: 27 63.688 2.405 1.057 0.930 0.962 0.808 CB 1.837 27 residues pruned to eliminate duplicates Z: 17 38.558 2.205 0.861 0.882 0.938 0.875 CB 1.813 17 residues pruned to eliminate duplicates Z: 33 31.017 2.198 0.972 0.495 0.781 0.562 CB 1.627 33 residues pruned to eliminate duplicates Z: 17 39.406 2.306 0.728 0.908 1.000 0.875 CA 1.757 17 residues pruned to eliminate duplicates Z: 15 35.342 2.305 0.616 0.941 1.000 1.000 C 1.760 15 residues pruned to eliminate duplicates Z: 37 60.884 2.467 0.907 0.771 0.917 0.750 CB 1.852 37 residues pruned to eliminate duplicates Z: 17 36.140 2.230 0.967 0.864 0.875 0.812 C 1.725 17 residues pruned to eliminate duplicates Z: 17 35.105 2.249 0.774 0.882 0.938 0.812 C 1.698 17 residues pruned to eliminate duplicates Z: 9 20.771 1.889 0.863 0.875 1.000 0.875 N 1.517 9 residues pruned to eliminate duplicates Z: 23 29.082 2.341 0.930 0.546 0.818 0.636 CB 1.603 23 residues pruned to eliminate duplicates Z: 27 59.670 2.327 0.927 0.939 1.000 0.923 CB 1.814 27 residues pruned to eliminate duplicates Z: 15 33.901 2.311 0.496 0.934 1.000 1.000 C 1.827 15 residues pruned to eliminate duplicates Z: 65 55.350 2.250 0.761 0.567 0.953 0.781 CB 1.718 65 residues pruned to eliminate duplicates Z: 43 61.622 2.286 1.073 0.674 0.976 0.810 CB 1.750 43 residues pruned to eliminate duplicates Z: 10 23.411 2.076 0.778 0.906 1.000 0.778 C 1.503 10 residues pruned to eliminate duplicates Z: 16 31.744 2.227 0.513 0.874 1.000 0.800 C 1.770 16 residues pruned to eliminate duplicates Z: 17 28.014 2.279 0.279 0.870 1.000 0.875 CB 1.753 17 residues pruned to eliminate duplicates Z: 34 66.133 2.425 1.284 0.717 0.909 0.788 CB 1.879 34 residues pruned to eliminate duplicates Z: 17 33.368 2.240 0.763 0.868 0.938 0.625 CB 1.647 17 residues pruned to eliminate duplicates Z: 62 33.586 2.109 0.836 0.466 0.803 0.525 CB 1.432 62 residues pruned to eliminate duplicates Z: 138 101.048 2.388 0.970 0.604 0.942 0.657 CB 1.765 139 residues pruned to eliminate duplicates Z: 53 55.780 2.295 0.778 0.622 0.981 0.692 CB 1.722 53 residues pruned to eliminate duplicates Z: 25 57.869 2.339 1.167 0.899 0.958 0.792 CB 1.737 25 residues pruned to eliminate duplicates Z: 15 45.400 2.257 1.025 0.952 1.000 1.000 C 1.828 15 residues pruned to eliminate duplicates Z: 52 62.377 2.348 0.927 0.594 0.980 0.725 CB 1.799 53 residues pruned to eliminate duplicates Z: 79 71.254 2.379 0.835 0.598 0.974 0.833 CB 1.729 79 residues pruned to eliminate duplicates Z: 7 11.258 2.140 0.319 0.762 0.833 0.667 CA 1.548 7 residues pruned to eliminate duplicates Z: 134 98.423 2.395 0.959 0.575 0.940 0.654 CB 1.800 134 residues pruned to eliminate duplicates Z: 15 35.422 2.291 0.741 0.921 0.929 0.786 C 1.800 15 residues pruned to eliminate duplicates Z: 9 21.118 2.162 0.754 0.874 0.875 0.875 C 1.637 9 residues pruned to eliminate duplicates Z: 40 46.776 2.341 0.720 0.666 0.923 0.667 CB 1.728 40 residues pruned to eliminate duplicates Z: 45 50.193 2.273 0.946 0.594 0.909 0.773 CB 1.721 45 residues pruned to eliminate duplicates Z: 11 15.655 2.283 0.884 0.456 0.800 0.600 CB 1.504 11 residues pruned to eliminate duplicates Z: 126 100.872 2.417 0.942 0.623 0.936 0.664 CB 1.829 126 residues pruned to eliminate duplicates Z: 9 28.943 2.481 0.710 0.824 1.000 0.750 CA 1.822 9 residues pruned to eliminate duplicates Z: 78 85.881 2.365 0.911 0.720 0.974 0.857 CB 1.822 78 residues pruned to eliminate duplicates Z: 9 33.216 2.527 0.684 0.889 1.000 1.000 C 1.988 9 residues pruned to eliminate duplicates Z: 38 56.481 2.405 0.912 0.687 0.892 0.649 CB 1.907 38 residues pruned to eliminate duplicates Z: 8 14.171 2.080 0.296 0.824 1.000 0.714 CA 1.501 8 residues pruned to eliminate duplicates Z: 105 92.382 2.423 0.834 0.634 0.981 0.702 CB 1.834 141 residues pruned to eliminate duplicates Z: 17 33.942 2.229 0.651 0.845 1.000 0.750 CB 1.714 17 residues pruned to eliminate duplicates Z: 27 67.594 2.370 1.315 0.885 0.962 0.692 C 1.815 27 residues pruned to eliminate duplicates Z: 6 5.883 2.012 0.262 0.471 0.600 0.600 CA 1.779 Z: 54 58.083 2.297 0.903 0.621 0.962 0.774 CB 1.691 54 residues pruned to eliminate duplicates Z: 59 59.925 2.315 0.915 0.608 0.914 0.672 CB 1.753 59 residues pruned to eliminate duplicates Z: 53 55.578 2.291 0.824 0.604 0.942 0.712 CB 1.774 53 residues pruned to eliminate duplicates Z: 66 60.389 2.281 0.961 0.601 0.923 0.631 CB 1.647 66 residues pruned to eliminate duplicates Z: 24 28.435 2.199 0.814 0.431 0.913 0.435 CB 1.749 24 residues pruned to eliminate duplicates Z: 107 98.115 2.407 0.930 0.663 0.981 0.764 CB 1.798 107 residues pruned to eliminate duplicates Z: 127 96.023 2.410 0.896 0.621 0.929 0.675 CB 1.798 127 residues pruned to eliminate duplicates Z: 26 68.339 2.501 1.044 0.956 0.960 0.920 CB 1.912 26 residues pruned to eliminate duplicates Z: 58 81.961 2.453 1.182 0.665 0.930 0.667 CB 1.873 58 residues pruned to eliminate duplicates Z: 38 82.163 2.458 1.267 0.799 1.000 0.838 CB 1.865 38 residues pruned to eliminate duplicates Z: 73 63.754 2.359 0.848 0.595 0.931 0.681 CB 1.692 73 residues pruned to eliminate duplicates Z: 127 99.803 2.401 0.943 0.622 0.944 0.730 CB 1.800 127 residues pruned to eliminate duplicates Z: 41 58.917 2.360 0.923 0.666 0.950 0.825 CB 1.853 41 residues pruned to eliminate duplicates Z: 38 47.882 2.353 1.089 0.636 0.811 0.676 CB 1.738 38 residues pruned to eliminate duplicates Z: 7 13.201 2.077 0.674 0.744 0.833 0.333 CB 1.495 Z: 69 78.121 2.410 1.004 0.664 0.956 0.765 CB 1.763 69 residues pruned to eliminate duplicates Z: 11 33.080 2.252 0.879 0.835 1.000 0.700 CA 1.853 11 residues pruned to eliminate duplicates Z: 37 50.734 2.360 0.996 0.644 0.889 0.667 CB 1.765 37 residues pruned to eliminate duplicates Z: 53 54.112 2.268 0.903 0.594 0.942 0.769 CB 1.687 53 residues pruned to eliminate duplicates Z: 10 29.941 2.370 0.586 0.909 1.000 1.000 CA 1.884 10 residues pruned to eliminate duplicates Z: 17 46.509 2.221 1.085 0.943 1.000 0.938 CB 1.740 17 residues pruned to eliminate duplicates Z: 17 22.393 1.950 0.884 0.642 0.938 0.688 CB 1.424 17 residues pruned to eliminate duplicates Z: 17 37.787 2.068 0.996 0.935 1.000 0.875 C 1.595 Z: 124 104.702 2.448 0.914 0.629 0.967 0.715 CB 1.846 124 residues pruned to eliminate duplicates Z: 16 33.347 2.257 0.748 0.853 0.933 0.733 C 1.728 16 residues pruned to eliminate duplicates Z: 87 68.481 2.392 0.976 0.561 0.872 0.698 CB 1.688 87 residues pruned to eliminate duplicates Z: 16 41.997 2.225 0.936 0.917 1.000 0.867 C 1.777 16 residues pruned to eliminate duplicates Z: 27 16.701 2.093 0.472 0.348 0.808 0.385 CB 1.551 27 residues pruned to eliminate duplicates Z: 39 61.190 2.429 0.787 0.707 0.974 0.816 CB 1.947 39 residues pruned to eliminate duplicates Z: 17 29.078 2.213 0.549 0.859 0.938 0.750 C 1.665 17 residues pruned to eliminate duplicates Z: 90 83.429 2.395 1.039 0.611 0.933 0.640 CB 1.748 90 residues pruned to eliminate duplicates Z: 79 69.309 2.367 0.777 0.602 0.974 0.769 CB 1.736 79 residues pruned to eliminate duplicates Z: 27 74.823 2.377 1.338 0.933 1.000 0.769 C 1.842 27 residues pruned to eliminate duplicates Z: 10 10.230 1.582 0.665 0.729 0.889 0.778 CB 1.186 Z: 17 34.342 2.150 0.832 0.823 0.938 0.812 C 1.758 17 residues pruned to eliminate duplicates Z: 26 63.493 2.404 1.059 0.940 1.000 0.760 CB 1.783 26 residues pruned to eliminate duplicates Z: 125 101.141 2.420 0.951 0.614 0.952 0.710 CB 1.814 125 residues pruned to eliminate duplicates Z: 11 40.012 2.247 1.217 0.885 1.000 0.800 CA 1.834 11 residues pruned to eliminate duplicates Z: 6 7.254 1.849 0.486 0.679 0.800 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 6 7.690 2.155 0.060 0.772 0.800 0.800 CB 1.479 6 residues pruned to eliminate duplicates Z: 83 72.958 2.366 0.982 0.599 0.927 0.671 CB 1.688 83 residues pruned to eliminate duplicates Z: 26 51.849 2.444 0.567 0.949 1.000 0.840 CB 1.869 26 residues pruned to eliminate duplicates Z: 28 64.016 2.388 0.969 0.931 1.000 0.815 CB 1.830 28 residues pruned to eliminate duplicates Z: 27 72.457 2.365 1.359 0.929 0.962 0.846 C 1.853 27 residues pruned to eliminate duplicates Z: 7 13.598 2.197 0.175 0.887 1.000 0.833 CA 1.551 7 residues pruned to eliminate duplicates Z: 10 14.267 2.132 0.462 0.553 1.000 0.556 CB 1.448 10 residues pruned to eliminate duplicates Z: 35 61.030 2.351 1.078 0.751 0.971 0.824 CB 1.765 28 residues pruned to eliminate duplicates Z: 27 69.131 2.359 1.183 0.923 1.000 0.769 C 1.850 27 residues pruned to eliminate duplicates Z: 26 71.187 2.401 1.315 0.928 0.960 0.880 CB 1.868 26 residues pruned to eliminate duplicates Z: 48 61.111 2.327 0.889 0.662 0.957 0.766 CB 1.822 48 residues pruned to eliminate duplicates Z: 27 72.619 2.372 1.240 0.924 1.000 0.846 C 1.882 27 residues pruned to eliminate duplicates Z: 6 15.994 2.262 0.355 0.853 1.000 0.800 CA 1.724 6 residues pruned to eliminate duplicates Z: 25 62.768 2.458 0.845 0.937 1.000 0.958 C 1.965 25 residues pruned to eliminate duplicates Z: 53 62.507 2.325 0.915 0.650 0.962 0.769 CB 1.761 53 residues pruned to eliminate duplicates Z: 27 63.940 2.350 1.137 0.909 0.962 0.923 C 1.843 27 residues pruned to eliminate duplicates Z: 8 21.659 2.424 0.349 0.863 1.000 0.714 CB 1.838 8 residues pruned to eliminate duplicates Z: 7 9.431 2.036 0.480 0.404 1.000 0.667 CA 1.414 7 residues pruned to eliminate duplicates Z: 25 69.802 2.496 1.094 0.959 1.000 0.958 C 1.868 25 residues pruned to eliminate duplicates Z: 17 30.819 2.160 0.643 0.887 0.938 0.750 C 1.671 17 residues pruned to eliminate duplicates Z: 26 73.333 2.426 1.304 0.945 1.000 0.800 C 1.816 26 residues pruned to eliminate duplicates Z: 61 62.062 2.362 1.041 0.586 0.917 0.633 CB 1.670 61 residues pruned to eliminate duplicates Z: 40 52.690 2.328 0.843 0.655 0.949 0.615 CB 1.795 38 residues pruned to eliminate duplicates Z: 71 64.901 2.363 0.896 0.603 0.929 0.671 CB 1.690 71 residues pruned to eliminate duplicates Z: 10 26.916 2.376 0.470 0.888 1.000 1.000 CA 1.851 10 residues pruned to eliminate duplicates Z: 42 54.126 2.302 0.778 0.667 1.000 0.780 CB 1.770 42 residues pruned to eliminate duplicates Z: 45 63.299 2.395 1.152 0.602 0.909 0.659 CB 1.849 46 residues pruned to eliminate duplicates Z: 17 28.112 2.262 0.451 0.854 0.938 0.750 CB 1.686 17 residues pruned to eliminate duplicates Z: 28 35.038 2.165 0.730 0.637 0.963 0.704 CB 1.645 28 residues pruned to eliminate duplicates Z: 33 60.890 2.342 1.200 0.807 0.906 0.781 C 1.764 33 residues pruned to eliminate duplicates Z: 27 70.624 2.359 1.275 0.912 1.000 0.846 C 1.827 27 residues pruned to eliminate duplicates Z: 43 66.111 2.390 1.172 0.687 0.952 0.738 CB 1.738 43 residues pruned to eliminate duplicates Z: 18 16.195 1.817 0.825 0.459 0.941 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 24 70.252 2.502 1.200 0.939 1.000 0.913 C 1.849 24 residues pruned to eliminate duplicates Z: 17 28.186 2.142 0.402 0.880 1.000 0.938 CA 1.701 17 residues pruned to eliminate duplicates Z: 8 4.259 1.668 0.829 0.514 0.714 0.571 C 0.729 8 residues pruned to eliminate duplicates Z: 145 95.016 2.385 0.900 0.579 0.924 0.653 CB 1.753 145 residues pruned to eliminate duplicates Z: 12 18.067 1.852 1.072 0.615 0.818 0.545 CA 1.556 12 residues pruned to eliminate duplicates Z: 53 53.130 2.270 0.850 0.581 0.942 0.712 CB 1.723 53 residues pruned to eliminate duplicates Z: 53 47.136 2.238 0.823 0.605 0.923 0.712 CB 1.571 53 residues pruned to eliminate duplicates Z: 64 44.465 2.274 0.857 0.473 0.841 0.540 CB 1.621 64 residues pruned to eliminate duplicates Z: 8 16.166 1.956 0.485 0.893 1.000 0.857 C 1.511 8 residues pruned to eliminate duplicates Z: 7 16.131 2.182 0.360 0.843 1.000 0.500 CA 1.653 7 residues pruned to eliminate duplicates Z: 15 31.631 2.316 0.301 0.940 1.000 1.000 CA 1.948 15 residues pruned to eliminate duplicates Z: 131 98.682 2.403 0.872 0.618 0.954 0.685 CB 1.804 131 residues pruned to eliminate duplicates Z: 14 19.352 2.023 0.873 0.507 0.923 0.769 CB 1.524 24 residues pruned to eliminate duplicates Z: 6 8.564 1.808 1.121 0.475 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 7 5.149 1.721 0.622 0.391 0.833 0.667 CB 1.015 6 residues pruned to eliminate duplicates Z: 124 100.614 2.430 0.965 0.630 0.927 0.699 CB 1.814 124 residues pruned to eliminate duplicates Z: 73 76.475 2.348 0.983 0.645 0.944 0.736 CB 1.790 73 residues pruned to eliminate duplicates Z: 16 37.865 2.181 0.795 0.904 1.000 0.933 C 1.779 16 residues pruned to eliminate duplicates Z: 62 68.259 2.381 0.959 0.653 0.918 0.656 CB 1.771 62 residues pruned to eliminate duplicates Z: 8 21.452 2.119 0.950 0.705 1.000 0.714 C 1.629 8 residues pruned to eliminate duplicates Z: 41 73.978 2.474 1.079 0.769 0.975 0.800 CB 1.837 41 residues pruned to eliminate duplicates Z: 23 59.468 2.402 1.033 0.924 1.000 0.682 CB 1.823 23 residues pruned to eliminate duplicates Z: 43 54.669 2.310 0.909 0.633 0.976 0.762 CB 1.730 43 residues pruned to eliminate duplicates Z: 40 61.517 2.326 1.081 0.668 0.974 0.667 CB 1.788 40 residues pruned to eliminate duplicates Z: 78 75.050 2.328 1.127 0.622 0.909 0.636 CB 1.692 78 residues pruned to eliminate duplicates Z: 42 59.877 2.341 0.855 0.683 1.000 0.780 CB 1.819 42 residues pruned to eliminate duplicates Z: 6 12.688 1.932 0.458 0.853 1.000 0.800 C 1.488 6 residues pruned to eliminate duplicates Z: 6 8.806 1.818 0.428 0.628 1.000 0.600 CA 1.345 6 residues pruned to eliminate duplicates Z: 10 29.854 2.141 1.098 0.884 1.000 0.778 C 1.601 10 residues pruned to eliminate duplicates Z: 8 6.907 1.795 0.529 0.788 0.571 0.286 CA 1.293 8 residues pruned to eliminate duplicates Z: 10 40.491 2.272 1.366 0.797 1.000 0.889 CA 1.935 10 residues pruned to eliminate duplicates Z: 9 14.315 1.768 0.518 0.886 1.000 0.875 CB 1.360 9 residues pruned to eliminate duplicates Z: 91 69.932 2.325 0.822 0.578 0.933 0.700 CB 1.731 102 residues pruned to eliminate duplicates Z: 15 24.481 2.323 0.186 0.894 0.929 0.929 CA 1.835 15 residues pruned to eliminate duplicates Z: 25 73.042 2.498 1.194 0.943 1.000 0.875 C 1.884 25 residues pruned to eliminate duplicates Z: 8 2.821 1.636 0.267 0.293 0.571 0.429 C 1.135 8 residues pruned to eliminate duplicates Z: 9 17.238 1.997 0.928 0.581 1.000 0.500 CA 1.464 9 residues pruned to eliminate duplicates Z: 18 20.010 2.113 0.021 0.850 1.000 0.882 CB 1.666 18 residues pruned to eliminate duplicates Z: 17 32.465 2.299 0.967 0.560 0.938 0.625 CB 1.807 17 residues pruned to eliminate duplicates Z: 78 66.208 2.331 0.731 0.624 0.948 0.714 CB 1.755 38 residues pruned to eliminate duplicates Z: 41 62.359 2.403 0.794 0.708 1.000 0.775 CB 1.893 41 residues pruned to eliminate duplicates Z: 20 35.394 2.319 0.693 0.630 1.000 0.789 CB 1.830 19 residues pruned to eliminate duplicates Z: 22 31.009 2.136 0.972 0.592 0.905 0.667 CA 1.626 22 residues pruned to eliminate duplicates Z: 8 12.409 1.850 0.314 0.876 1.000 1.000 N 1.402 8 residues pruned to eliminate duplicates Z: 6 11.406 1.807 0.669 0.736 1.000 0.600 N 1.368 6 residues pruned to eliminate duplicates Z: 65 57.932 2.383 0.822 0.599 0.891 0.641 CB 1.705 65 residues pruned to eliminate duplicates Z: 11 11.397 1.546 0.797 0.675 0.900 0.500 C 1.227 11 residues pruned to eliminate duplicates Z: 42 42.487 2.242 0.831 0.534 0.951 0.683 CB 1.643 42 residues pruned to eliminate duplicates Z: 11 29.064 2.294 1.068 0.667 0.900 0.800 CA 1.845 11 residues pruned to eliminate duplicates Z: 17 23.660 2.299 0.104 0.883 1.000 0.938 CB 1.686 17 residues pruned to eliminate duplicates Z: 33 67.259 2.391 1.149 0.855 0.969 0.781 C 1.763 33 residues pruned to eliminate duplicates Z: 12 14.320 1.735 0.334 0.868 1.000 0.727 C 1.364 12 residues pruned to eliminate duplicates Z: 76 76.453 2.379 0.919 0.670 0.933 0.760 CB 1.770 76 residues pruned to eliminate duplicates Z: 42 56.772 2.330 0.740 0.691 1.000 0.780 CB 1.837 42 residues pruned to eliminate duplicates Z: 24 27.516 2.432 0.816 0.436 0.783 0.435 CB 1.773 24 residues pruned to eliminate duplicates Z: 12 15.575 1.733 0.771 0.718 1.000 0.909 CB 1.256 12 residues pruned to eliminate duplicates Z: 14 16.899 1.940 0.731 0.575 0.923 0.769 CB 1.407 14 residues pruned to eliminate duplicates Z: 111 80.115 2.348 0.953 0.606 0.891 0.664 CB 1.691 111 residues pruned to eliminate duplicates Z: 8 6.524 2.018 0.967 0.358 0.571 0.429 CB 1.268 8 residues pruned to eliminate duplicates Z: 41 42.225 2.233 0.720 0.634 0.900 0.525 CB 1.704 41 residues pruned to eliminate duplicates Z: 47 65.663 2.374 0.905 0.685 0.978 0.739 CB 1.847 47 residues pruned to eliminate duplicates Z: 27 72.718 2.369 1.295 0.936 1.000 0.923 C 1.827 27 residues pruned to eliminate duplicates Z: 15 34.449 2.377 0.588 0.923 1.000 1.000 CB 1.715 15 residues pruned to eliminate duplicates Z: 126 102.262 2.425 0.909 0.626 0.968 0.720 CB 1.813 126 residues pruned to eliminate duplicates Z: 11 22.003 1.899 0.912 0.789 1.000 0.800 CB 1.487 11 residues pruned to eliminate duplicates Z: 73 80.081 2.403 1.035 0.664 0.931 0.819 CB 1.782 73 residues pruned to eliminate duplicates Z: 32 44.300 2.334 0.627 0.661 0.968 0.742 CB 1.864 32 residues pruned to eliminate duplicates Z: 51 64.074 2.354 0.787 0.650 1.000 0.780 CB 1.874 51 residues pruned to eliminate duplicates Z: 14 18.435 2.281 0.844 0.379 0.846 0.538 CB 1.635 14 residues pruned to eliminate duplicates Z: 26 75.518 2.419 1.320 0.960 1.000 0.960 C 1.843 26 residues pruned to eliminate duplicates Z: 59 66.758 2.392 0.989 0.651 0.914 0.638 CB 1.752 59 residues pruned to eliminate duplicates Z: 89 63.616 2.278 0.950 0.579 0.920 0.682 CB 1.537 89 residues pruned to eliminate duplicates Z: 100 82.162 2.385 0.995 0.565 0.939 0.636 CB 1.735 100 residues pruned to eliminate duplicates Z: 6 9.942 2.048 0.280 0.826 0.800 0.600 CB 1.599 6 residues pruned to eliminate duplicates Z: 115 86.146 2.392 0.979 0.558 0.939 0.658 CB 1.716 115 residues pruned to eliminate duplicates Z: 38 67.679 2.378 1.100 0.703 1.000 0.703 CB 1.852 38 residues pruned to eliminate duplicates Z: 11 20.379 2.026 0.603 0.823 0.900 0.900 CB 1.665 11 residues pruned to eliminate duplicates Z: 13 24.311 2.161 0.854 0.570 1.000 0.750 CB 1.637 13 residues pruned to eliminate duplicates Z: 6 2.906 1.491 0.294 0.340 0.800 0.600 C 1.002 Z: 20 40.615 2.349 1.015 0.596 1.000 0.789 CB 1.795 20 residues pruned to eliminate duplicates Z: 77 58.559 2.310 0.803 0.585 0.921 0.658 CB 1.615 77 residues pruned to eliminate duplicates Z: 7 9.886 1.905 0.139 0.843 1.000 0.833 CB 1.385 7 residues pruned to eliminate duplicates Z: 131 98.826 2.408 0.897 0.611 0.954 0.700 CB 1.791 131 residues pruned to eliminate duplicates Z: 95 87.718 2.368 1.057 0.622 0.947 0.649 CB 1.748 95 residues pruned to eliminate duplicates Z: 16 18.099 2.029 0.723 0.464 0.933 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 52 61.091 2.316 1.077 0.691 0.922 0.667 CB 1.620 52 residues pruned to eliminate duplicates Z: 65 69.153 2.372 0.962 0.614 0.953 0.703 CB 1.750 65 residues pruned to eliminate duplicates Z: 33 60.193 2.393 1.064 0.726 1.000 0.656 CB 1.757 34 residues pruned to eliminate duplicates Z: 30 37.196 2.408 0.862 0.466 0.828 0.448 CA 1.928 30 residues pruned to eliminate duplicates Z: 25 82.970 2.545 1.310 0.965 1.000 0.917 C 1.967 25 residues pruned to eliminate duplicates Z: 15 21.615 2.141 0.957 0.554 0.857 0.714 CB 1.526 15 residues pruned to eliminate duplicates Z: 22 28.843 2.152 0.660 0.620 0.905 0.714 C 1.738 22 residues pruned to eliminate duplicates Z: 90 78.929 2.346 1.085 0.597 0.888 0.663 CB 1.756 90 residues pruned to eliminate duplicates Z: 17 44.665 2.191 1.037 0.934 1.000 0.875 CB 1.744 17 residues pruned to eliminate duplicates Z: 28 65.424 2.382 1.047 0.936 1.000 0.815 CB 1.799 28 residues pruned to eliminate duplicates Z: 10 27.741 2.264 0.649 0.884 1.000 1.000 CA 1.789 10 residues pruned to eliminate duplicates Z: 32 32.336 2.227 0.899 0.439 0.871 0.548 CB 1.680 32 residues pruned to eliminate duplicates Z: 14 18.327 2.150 0.826 0.532 0.923 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 17 21.814 2.176 0.287 0.846 0.938 0.875 CB 1.543 17 residues pruned to eliminate duplicates Z: 11 27.838 2.477 0.758 0.729 0.900 0.600 C 1.828 11 residues pruned to eliminate duplicates Z: 41 28.779 2.294 0.837 0.325 0.775 0.375 CB 1.690 41 residues pruned to eliminate duplicates Z: 54 46.242 2.375 0.857 0.471 0.849 0.509 CB 1.748 54 residues pruned to eliminate duplicates Z: 35 28.212 2.290 0.536 0.476 0.882 0.529 CB 1.597 35 residues pruned to eliminate duplicates Z: 37 62.661 2.353 1.107 0.672 0.972 0.694 CB 1.849 38 residues pruned to eliminate duplicates Z: 18 28.815 2.219 0.385 0.880 1.000 0.824 CA 1.648 18 residues pruned to eliminate duplicates Z: 78 69.440 2.345 0.967 0.564 0.909 0.662 CB 1.774 78 residues pruned to eliminate duplicates Z: 89 85.069 2.402 1.080 0.607 0.932 0.659 CB 1.760 89 residues pruned to eliminate duplicates Z: 25 50.083 2.415 0.937 0.729 0.958 0.833 CB 1.856 25 residues pruned to eliminate duplicates Z: 11 11.501 1.867 0.509 0.598 0.800 0.600 CA 1.470 11 residues pruned to eliminate duplicates Z: 39 52.848 2.340 0.885 0.646 0.947 0.737 CB 1.791 39 residues pruned to eliminate duplicates Z: 31 45.923 2.388 0.657 0.686 0.967 0.767 CB 1.848 31 residues pruned to eliminate duplicates Z: 21 16.974 2.086 0.773 0.374 0.850 0.500 CB 1.381 21 residues pruned to eliminate duplicates Z: 8 12.171 1.727 0.640 0.894 1.000 0.714 CB 1.165 8 residues pruned to eliminate duplicates Z: 6 3.366 1.515 0.316 0.479 0.600 0.600 O 1.285 Z: 16 28.775 2.198 0.767 0.812 0.867 0.733 CB 1.682 16 residues pruned to eliminate duplicates Z: 62 59.210 2.335 0.905 0.636 0.902 0.754 CB 1.663 62 residues pruned to eliminate duplicates Z: 73 53.988 2.257 0.878 0.622 0.861 0.736 CB 1.554 73 residues pruned to eliminate duplicates Z: 30 38.059 2.396 0.746 0.499 0.897 0.448 CA 1.887 30 residues pruned to eliminate duplicates Z: 37 54.651 2.345 0.701 0.733 1.000 0.778 CB 1.852 37 residues pruned to eliminate duplicates Z: 16 38.783 2.165 1.078 0.947 0.933 0.733 C 1.648 16 residues pruned to eliminate duplicates Z: 16 26.899 2.218 0.288 0.900 1.000 0.933 CB 1.736 16 residues pruned to eliminate duplicates Z: 104 79.539 2.362 0.977 0.553 0.922 0.718 CB 1.728 104 residues pruned to eliminate duplicates Z: 14 28.355 2.397 0.252 0.903 1.000 1.000 CB 1.867 14 residues pruned to eliminate duplicates Z: 6 11.178 1.694 1.581 0.672 0.800 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 20 8.505 1.938 0.693 0.263 0.684 0.474 CB 1.139 20 residues pruned to eliminate duplicates Z: 11 12.054 1.975 0.680 0.380 0.900 0.600 CB 1.450 11 residues pruned to eliminate duplicates Z: 47 65.166 2.377 0.789 0.677 0.978 0.804 CB 1.963 47 residues pruned to eliminate duplicates Z: 40 29.870 2.204 0.637 0.441 0.846 0.385 CB 1.664 40 residues pruned to eliminate duplicates Z: 17 9.306 1.929 0.410 0.318 0.812 0.438 CB 1.287 17 residues pruned to eliminate duplicates Z: 17 23.432 2.157 0.744 0.650 0.875 0.625 C 1.547 17 residues pruned to eliminate duplicates Z: 79 60.645 2.372 0.785 0.587 0.885 0.641 CB 1.687 79 residues pruned to eliminate duplicates Z: 70 82.254 2.392 1.143 0.683 0.928 0.783 CB 1.760 70 residues pruned to eliminate duplicates Z: 64 81.533 2.465 1.121 0.660 0.921 0.651 CB 1.840 64 residues pruned to eliminate duplicates Z: 17 17.147 2.003 0.773 0.625 0.938 0.625 CB 1.144 17 residues pruned to eliminate duplicates Z: 22 25.398 2.278 0.900 0.461 0.857 0.714 CB 1.554 22 residues pruned to eliminate duplicates Z: 27 76.870 2.332 1.482 0.938 1.000 0.808 C 1.811 27 residues pruned to eliminate duplicates Z: 12 20.321 2.102 0.802 0.655 1.000 1.000 CB 1.401 12 residues pruned to eliminate duplicates Z: 21 41.968 2.289 0.952 0.653 1.000 0.850 CB 1.822 21 residues pruned to eliminate duplicates Z: 78 70.608 2.346 0.944 0.571 0.935 0.662 CB 1.762 78 residues pruned to eliminate duplicates Z: 60 59.475 2.335 0.803 0.587 0.949 0.746 CB 1.782 60 residues pruned to eliminate duplicates Z: 14 22.153 2.078 0.248 0.910 1.000 1.000 CB 1.680 14 residues pruned to eliminate duplicates Z: 12 3.375 1.392 0.396 0.383 0.727 0.636 CA 0.815 12 residues pruned to eliminate duplicates Z: 30 36.246 2.239 0.870 0.531 0.931 0.793 CB 1.674 30 residues pruned to eliminate duplicates Z: 55 68.810 2.480 1.087 0.590 0.870 0.630 CB 1.906 55 residues pruned to eliminate duplicates Z: 32 65.746 2.390 1.209 0.821 0.935 0.774 C 1.809 32 residues pruned to eliminate duplicates Z: 18 18.150 2.275 0.594 0.343 0.824 0.647 CB 1.749 18 residues pruned to eliminate duplicates Z: 16 19.605 2.090 0.607 0.531 0.933 0.667 CA 1.566 16 residues pruned to eliminate duplicates Z: 36 60.454 2.555 1.018 0.589 0.914 0.571 CB 1.990 36 residues pruned to eliminate duplicates Z: 6 7.781 2.148 0.662 0.276 0.800 0.600 CA 1.570 6 residues pruned to eliminate duplicates Z: 6 2.588 1.473 0.034 0.509 1.000 0.800 CB 0.753 Z: 8 7.204 1.708 0.234 0.510 1.000 0.429 CA 1.279 8 residues pruned to eliminate duplicates Z: 76 81.230 2.436 1.087 0.627 0.920 0.707 CB 1.778 76 residues pruned to eliminate duplicates Z: 13 3.967 1.349 0.409 0.260 0.750 0.333 O 1.057 Z: 9 39.140 2.492 1.100 0.912 1.000 1.000 CB 1.873 9 residues pruned to eliminate duplicates Z: 65 69.265 2.439 0.968 0.576 0.922 0.703 CB 1.818 65 residues pruned to eliminate duplicates Z: 16 14.692 1.823 0.721 0.552 0.933 0.667 CB 1.231 16 residues pruned to eliminate duplicates Z: 6 11.947 2.029 0.929 0.834 1.000 1.000 CB 1.023 Z: 17 28.931 2.187 0.451 0.878 1.000 0.812 CB 1.653 17 residues pruned to eliminate duplicates Z: 18 26.530 2.258 0.691 0.546 0.941 0.529 CB 1.711 18 residues pruned to eliminate duplicates Z: 73 70.086 2.315 1.045 0.638 0.944 0.681 CB 1.624 73 residues pruned to eliminate duplicates Z: 28 59.852 2.326 1.046 0.934 0.963 0.889 CB 1.753 28 residues pruned to eliminate duplicates Z: 106 87.914 2.394 0.855 0.660 0.943 0.676 CB 1.767 106 residues pruned to eliminate duplicates Z: 57 66.628 2.387 1.019 0.625 0.893 0.661 CB 1.839 57 residues pruned to eliminate duplicates Z: 8 8.626 1.903 0.155 0.801 0.857 0.714 C 1.331 8 residues pruned to eliminate duplicates Z: 22 55.629 2.434 1.151 0.860 0.952 0.857 C 1.791 22 residues pruned to eliminate duplicates Z: 64 77.143 2.434 1.065 0.656 0.937 0.667 CB 1.786 64 residues pruned to eliminate duplicates Z: 32 57.296 2.321 1.110 0.717 0.968 0.774 CB 1.784 32 residues pruned to eliminate duplicates Z: 14 19.214 2.083 0.780 0.478 1.000 0.923 CB 1.468 Z: 11 9.925 1.895 0.649 0.512 0.800 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 10 22.685 2.429 0.779 0.455 1.000 0.667 CB 1.832 10 residues pruned to eliminate duplicates Z: 26 27.265 2.201 0.861 0.421 0.880 0.480 CB 1.642 26 residues pruned to eliminate duplicates Z: 83 71.841 2.355 0.973 0.584 0.915 0.671 CB 1.723 83 residues pruned to eliminate duplicates Z: 20 14.026 2.054 0.829 0.369 0.789 0.632 CB 1.247 20 residues pruned to eliminate duplicates Z: 36 31.379 2.304 0.797 0.385 0.886 0.429 CB 1.634 36 residues pruned to eliminate duplicates Z: 9 16.142 2.176 0.767 0.539 0.875 0.500 CB 1.633 9 residues pruned to eliminate duplicates Z: 20 33.126 2.413 1.096 0.446 0.842 0.474 CB 1.887 20 residues pruned to eliminate duplicates Z: 32 56.968 2.388 1.018 0.699 0.935 0.742 CB 1.892 32 residues pruned to eliminate duplicates Z: 17 24.996 2.081 0.876 0.554 1.000 0.750 CB 1.518 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 117 97.032 2.370 0.941 0.665 0.966 0.759 CB 1.741 117 residues pruned to eliminate duplicates Z: 56 78.651 2.461 1.203 0.654 0.909 0.655 CB 1.865 56 residues pruned to eliminate duplicates Z: 57 74.061 2.434 1.103 0.642 0.911 0.625 CB 1.860 57 residues pruned to eliminate duplicates Z: 79 83.122 2.360 0.907 0.702 0.936 0.731 CB 1.858 38 residues pruned to eliminate duplicates Z: 19 28.219 2.158 0.464 0.740 1.000 0.722 CB 1.697 19 residues pruned to eliminate duplicates Z: 37 54.744 2.458 0.770 0.666 0.944 0.694 CB 1.905 37 residues pruned to eliminate duplicates Z: 37 57.381 2.471 0.841 0.661 0.944 0.639 CB 1.917 37 residues pruned to eliminate duplicates Z: 38 54.691 2.399 0.881 0.657 0.919 0.649 CB 1.874 38 residues pruned to eliminate duplicates Z: 40 53.280 2.358 0.811 0.665 0.974 0.692 CB 1.760 40 residues pruned to eliminate duplicates Z: 39 58.416 2.394 0.831 0.672 1.000 0.658 CB 1.845 39 residues pruned to eliminate duplicates Z: 38 58.120 2.426 0.854 0.673 0.973 0.676 CB 1.861 38 residues pruned to eliminate duplicates Z: 39 52.101 2.373 0.835 0.663 0.921 0.605 CB 1.813 39 residues pruned to eliminate duplicates Z: 36 53.118 2.470 0.820 0.648 0.914 0.600 CB 1.903 36 residues pruned to eliminate duplicates Z: 37 62.535 2.449 1.002 0.662 0.972 0.667 CB 1.882 37 residues pruned to eliminate duplicates Z: 40 59.919 2.358 1.055 0.659 0.949 0.590 CB 1.801 40 residues pruned to eliminate duplicates Z: 37 70.015 2.466 1.151 0.682 0.972 0.722 CB 1.913 37 residues pruned to eliminate duplicates Z: 50 58.298 2.300 1.056 0.622 0.939 0.633 CB 1.673 50 residues pruned to eliminate duplicates Z: 39 61.920 2.386 1.098 0.686 0.947 0.684 CB 1.785 39 residues pruned to eliminate duplicates Z: 48 69.314 2.403 1.135 0.653 0.957 0.638 CB 1.785 48 residues pruned to eliminate duplicates Z: 38 70.357 2.424 1.083 0.708 1.000 0.703 CB 1.897 38 residues pruned to eliminate duplicates Z: 34 66.723 2.439 1.174 0.685 0.970 0.697 CB 1.907 34 residues pruned to eliminate duplicates Z: 37 68.579 2.432 1.162 0.662 0.972 0.750 CB 1.924 37 residues pruned to eliminate duplicates Z: 44 51.990 2.303 0.901 0.629 0.907 0.674 CB 1.770 44 residues pruned to eliminate duplicates Z: 40 57.806 2.354 1.074 0.647 0.923 0.641 CB 1.791 40 residues pruned to eliminate duplicates Z: 38 62.590 2.418 1.057 0.668 0.946 0.703 CB 1.873 38 residues pruned to eliminate duplicates Z: 46 50.593 2.196 0.969 0.603 0.911 0.600 CB 1.735 46 residues pruned to eliminate duplicates Z: 38 61.206 2.377 1.043 0.644 0.973 0.622 CB 1.861 38 residues pruned to eliminate duplicates Z: 39 60.836 2.358 1.090 0.653 0.974 0.658 CB 1.785 39 residues pruned to eliminate duplicates Z: 39 59.723 2.381 1.059 0.664 0.947 0.684 CB 1.792 39 residues pruned to eliminate duplicates Z: 34 58.974 2.417 1.120 0.641 0.939 0.697 CB 1.869 34 residues pruned to eliminate duplicates Z: 38 63.795 2.406 1.157 0.659 0.946 0.676 CB 1.843 38 residues pruned to eliminate duplicates Z: 36 44.011 2.300 0.957 0.537 0.914 0.629 CB 1.743 36 residues pruned to eliminate duplicates Z: 54 60.248 2.417 1.092 0.565 0.887 0.660 CB 1.733 54 residues pruned to eliminate duplicates Z: 61 62.600 2.311 1.141 0.564 0.900 0.650 CB 1.706 61 residues pruned to eliminate duplicates Z: 69 67.309 2.405 1.058 0.525 0.912 0.676 CB 1.764 69 residues pruned to eliminate duplicates Z: 53 63.741 2.378 1.125 0.608 0.923 0.673 CB 1.709 53 residues pruned to eliminate duplicates Z: 12 20.659 2.300 1.245 0.453 0.727 0.636 CB 1.740 12 residues pruned to eliminate duplicates Z: 11 19.718 2.267 1.386 0.510 0.900 0.700 CB 1.268 11 residues pruned to eliminate duplicates Z: 13 20.519 1.929 1.401 0.576 0.917 0.667 CB 1.296 13 residues pruned to eliminate duplicates Z: 52 59.781 2.350 1.040 0.588 0.922 0.588 CB 1.743 52 residues pruned to eliminate duplicates Z: 86 69.845 2.354 0.928 0.580 0.953 0.682 CB 1.621 86 residues pruned to eliminate duplicates Z: 18 20.728 2.268 1.194 0.434 0.824 0.412 CB 1.314 18 residues pruned to eliminate duplicates Z: 40 30.713 2.280 0.935 0.358 0.821 0.487 CB 1.584 40 residues pruned to eliminate duplicates Z: 16 4.669 1.895 0.480 0.063 0.733 0.400 CB 1.042 16 residues pruned to eliminate duplicates Z: 44 30.045 2.307 0.762 0.350 0.884 0.488 CB 1.501 44 residues pruned to eliminate duplicates Z: 42 25.001 2.173 0.705 0.353 0.854 0.439 CB 1.448 42 residues pruned to eliminate duplicates Z: 97 73.892 2.349 0.906 0.563 0.938 0.646 CB 1.691 97 residues pruned to eliminate duplicates Z: 12 9.034 1.869 0.744 0.419 0.909 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 39 26.472 2.289 0.725 0.356 0.868 0.526 CB 1.463 39 residues pruned to eliminate duplicates Z: 38 27.069 2.233 0.774 0.379 0.892 0.486 CB 1.433 38 residues pruned to eliminate duplicates Z: 87 64.348 2.391 0.873 0.515 0.919 0.605 CB 1.661 87 residues pruned to eliminate duplicates Z: 67 52.785 2.313 0.917 0.501 0.909 0.515 CB 1.610 67 residues pruned to eliminate duplicates Z: 26 20.996 2.176 0.840 0.325 0.880 0.400 CB 1.444 26 residues pruned to eliminate duplicates Z: 78 61.656 2.389 0.864 0.557 0.883 0.597 CB 1.691 78 residues pruned to eliminate duplicates Z: 22 21.078 2.189 0.727 0.399 0.905 0.571 CB 1.496 22 residues pruned to eliminate duplicates Z: 45 29.433 2.324 0.642 0.373 0.864 0.477 CB 1.542 45 residues pruned to eliminate duplicates Z: 66 62.215 2.369 0.892 0.587 0.938 0.723 CB 1.687 66 residues pruned to eliminate duplicates Z: 32 21.334 2.200 0.690 0.372 0.774 0.548 CB 1.527 32 residues pruned to eliminate duplicates Z: 27 21.333 2.154 0.734 0.392 0.808 0.500 CB 1.555 27 residues pruned to eliminate duplicates Z: 34 35.368 2.246 1.002 0.439 0.909 0.545 CB 1.604 34 residues pruned to eliminate duplicates Z: 31 22.700 2.176 0.745 0.450 0.800 0.433 CB 1.436 31 residues pruned to eliminate duplicates Z: 41 25.536 2.174 0.767 0.456 0.750 0.525 CB 1.466 41 residues pruned to eliminate duplicates Z: 27 22.729 2.210 0.716 0.403 0.885 0.462 CB 1.472 27 residues pruned to eliminate duplicates Z: 75 57.017 2.241 0.816 0.612 0.932 0.635 CB 1.571 75 residues pruned to eliminate duplicates Z: 24 23.187 2.174 0.718 0.443 0.913 0.652 CB 1.503 24 residues pruned to eliminate duplicates Z: 31 23.652 2.223 0.596 0.403 0.900 0.467 CB 1.497 31 residues pruned to eliminate duplicates Z: 78 69.634 2.424 0.986 0.575 0.896 0.649 CB 1.711 78 residues pruned to eliminate duplicates Z: 36 29.025 2.274 0.750 0.427 0.886 0.514 CB 1.502 36 residues pruned to eliminate duplicates Z: 74 66.383 2.385 0.913 0.579 0.918 0.671 CB 1.719 74 residues pruned to eliminate duplicates Z: 76 63.655 2.365 0.920 0.584 0.920 0.600 CB 1.624 76 residues pruned to eliminate duplicates Z: 74 63.523 2.308 0.872 0.636 0.945 0.685 CB 1.603 74 residues pruned to eliminate duplicates Z: 8 4.143 1.696 0.626 0.210 0.857 0.000 CB 0.934 8 residues pruned to eliminate duplicates Z: 36 25.587 2.197 0.805 0.405 0.829 0.514 CB 1.455 36 residues pruned to eliminate duplicates Z: 33 26.745 2.238 0.801 0.406 0.844 0.500 CB 1.534 33 residues pruned to eliminate duplicates Z: 49 63.358 2.353 1.045 0.744 0.938 0.771 CB 1.630 49 residues pruned to eliminate duplicates Z: 34 53.466 2.418 0.975 0.711 0.909 0.667 CB 1.770 34 residues pruned to eliminate duplicates Z: 103 70.677 2.316 0.889 0.566 0.922 0.657 CB 1.629 103 residues pruned to eliminate duplicates Z: 73 58.419 2.386 0.786 0.581 0.875 0.667 CB 1.708 73 residues pruned to eliminate duplicates Z: 78 59.314 2.219 0.919 0.597 0.922 0.727 CB 1.570 78 residues pruned to eliminate duplicates Z: 87 73.652 2.386 0.962 0.558 0.930 0.698 CB 1.724 87 residues pruned to eliminate duplicates Z: 74 67.579 2.390 0.939 0.594 0.904 0.712 CB 1.726 74 residues pruned to eliminate duplicates Z: 79 62.782 2.372 0.837 0.586 0.910 0.615 CB 1.650 79 residues pruned to eliminate duplicates Z: 75 60.553 2.349 0.922 0.570 0.865 0.703 CB 1.686 75 residues pruned to eliminate duplicates Z: 87 64.957 2.401 0.868 0.535 0.907 0.605 CB 1.663 87 residues pruned to eliminate duplicates Z: 49 72.711 2.444 1.051 0.686 0.958 0.708 CB 1.842 49 residues pruned to eliminate duplicates Z: 73 62.344 2.381 0.919 0.590 0.875 0.694 CB 1.686 73 residues pruned to eliminate duplicates Z: 87 67.456 2.335 1.002 0.586 0.907 0.663 CB 1.580 87 residues pruned to eliminate duplicates Z: 82 70.707 2.298 1.093 0.626 0.926 0.667 CB 1.567 82 residues pruned to eliminate duplicates Z: 81 66.029 2.312 1.048 0.618 0.900 0.650 CB 1.549 81 residues pruned to eliminate duplicates Z: 69 63.804 2.375 0.921 0.607 0.897 0.706 CB 1.708 69 residues pruned to eliminate duplicates Z: 221 117.375 2.398 0.903 0.586 0.923 0.686 CB 1.730 221 residues pruned to eliminate duplicates Z: 83 58.786 2.307 0.876 0.551 0.890 0.634 CB 1.604 83 residues pruned to eliminate duplicates Z: 134 100.050 2.378 1.053 0.624 0.917 0.729 CB 1.722 134 residues pruned to eliminate duplicates Z: 80 67.106 2.343 0.967 0.624 0.899 0.696 CB 1.622 80 residues pruned to eliminate duplicates Z: 74 65.501 2.372 0.914 0.595 0.904 0.658 CB 1.706 74 residues pruned to eliminate duplicates Z: 51 62.604 2.361 0.852 0.647 0.960 0.840 CB 1.839 51 residues pruned to eliminate duplicates Z: 72 65.996 2.395 0.909 0.596 0.901 0.704 CB 1.735 72 residues pruned to eliminate duplicates Z: 70 49.899 2.217 0.754 0.582 0.884 0.623 CB 1.615 70 residues pruned to eliminate duplicates Z: 47 65.213 2.434 1.080 0.649 0.870 0.717 CB 1.902 47 residues pruned to eliminate duplicates Z: 70 54.781 2.326 0.779 0.580 0.913 0.594 CB 1.617 70 residues pruned to eliminate duplicates Z: 69 58.117 2.315 0.928 0.627 0.882 0.662 CB 1.588 69 residues pruned to eliminate duplicates Z: 23 25.319 2.002 1.071 0.664 0.909 0.727 CB 1.231 23 residues pruned to eliminate duplicates Z: 48 72.826 2.339 1.237 0.774 0.957 0.830 CB 1.664 48 residues pruned to eliminate duplicates Z: 49 67.828 2.462 1.081 0.690 0.896 0.771 CB 1.792 49 residues pruned to eliminate duplicates Z: 87 68.088 2.332 1.052 0.577 0.884 0.628 CB 1.611 87 residues pruned to eliminate duplicates Z: 21 30.351 2.356 1.078 0.479 0.850 0.650 CB 1.665 21 residues pruned to eliminate duplicates Z: 52 66.489 2.428 1.134 0.647 0.902 0.686 CB 1.736 52 residues pruned to eliminate duplicates Z: 73 67.994 2.378 0.964 0.585 0.931 0.597 CB 1.699 73 residues pruned to eliminate duplicates Z: 62 67.445 2.379 1.107 0.601 0.885 0.672 CB 1.769 62 residues pruned to eliminate duplicates Z: 79 57.279 2.306 1.055 0.504 0.846 0.564 CB 1.612 79 residues pruned to eliminate duplicates Z: 123 96.840 2.406 1.103 0.580 0.926 0.590 CB 1.732 123 residues pruned to eliminate duplicates Z: 50 64.906 2.385 1.194 0.628 0.898 0.694 CB 1.749 50 residues pruned to eliminate duplicates Z: 74 69.874 2.377 0.992 0.582 0.918 0.671 CB 1.739 74 residues pruned to eliminate duplicates Z: 18 20.489 1.948 0.929 0.560 0.941 0.706 CB 1.326 18 residues pruned to eliminate duplicates Z: 16 21.819 2.012 0.995 0.548 0.933 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 16 22.630 2.007 1.010 0.592 0.933 0.600 CB 1.421 16 residues pruned to eliminate duplicates Z: 17 20.493 1.941 0.932 0.611 0.938 0.625 CB 1.311 17 residues pruned to eliminate duplicates Z: 30 25.552 2.194 0.803 0.390 0.897 0.552 CB 1.504 30 residues pruned to eliminate duplicates Z: 26 37.333 2.189 1.303 0.565 0.880 0.680 CB 1.580 26 residues pruned to eliminate duplicates Z: 27 30.627 2.172 1.143 0.498 0.846 0.654 CB 1.528 27 residues pruned to eliminate duplicates Z: 96 76.915 2.290 1.020 0.593 0.937 0.684 CB 1.666 96 residues pruned to eliminate duplicates Z: 12 25.975 2.403 1.427 0.452 0.818 0.636 CB 1.724 12 residues pruned to eliminate duplicates Z: 18 27.726 2.194 1.106 0.466 0.882 0.471 CB 1.709 18 residues pruned to eliminate duplicates Z: 9 15.736 2.245 0.978 0.536 0.750 0.625 CA 1.613 9 residues pruned to eliminate duplicates Z: 8 15.128 2.354 0.651 0.531 0.857 0.714 CA 1.666 8 residues pruned to eliminate duplicates Z: 57 40.493 2.206 0.895 0.413 0.875 0.518 CB 1.620 57 residues pruned to eliminate duplicates Z: 145 100.733 2.416 0.903 0.586 0.938 0.688 CB 1.793 145 residues pruned to eliminate duplicates Z: 41 31.120 2.299 0.823 0.351 0.850 0.425 CB 1.623 41 residues pruned to eliminate duplicates Z: 113 75.556 2.397 0.888 0.517 0.902 0.661 CB 1.720 113 residues pruned to eliminate duplicates Z: 41 33.664 2.291 0.766 0.378 0.875 0.425 CB 1.712 41 residues pruned to eliminate duplicates Z: 55 37.851 2.223 0.896 0.375 0.852 0.500 CB 1.640 55 residues pruned to eliminate duplicates Z: 47 28.931 2.105 0.749 0.380 0.826 0.435 CB 1.594 47 residues pruned to eliminate duplicates Z: 136 96.806 2.385 0.914 0.600 0.956 0.726 CB 1.736 136 residues pruned to eliminate duplicates Z: 13 8.738 1.917 0.632 0.310 0.750 0.333 CB 1.327 13 residues pruned to eliminate duplicates Z: 33 29.047 2.219 0.805 0.372 0.875 0.406 CB 1.680 33 residues pruned to eliminate duplicates Z: 108 76.282 2.376 0.886 0.549 0.907 0.636 CB 1.732 108 residues pruned to eliminate duplicates Z: 144 93.295 2.404 0.857 0.576 0.916 0.685 CB 1.772 145 residues pruned to eliminate duplicates Z: 6 5.632 1.431 0.579 0.494 1.000 0.800 CA 1.121 6 residues pruned to eliminate duplicates Z: 60 37.738 2.131 0.837 0.419 0.864 0.508 CB 1.581 60 residues pruned to eliminate duplicates Z: 67 67.176 2.421 0.849 0.555 0.939 0.606 CB 1.864 67 residues pruned to eliminate duplicates Z: 35 32.105 2.178 0.848 0.408 0.912 0.471 CB 1.653 35 residues pruned to eliminate duplicates Z: 27 33.361 2.243 0.772 0.437 0.962 0.462 CB 1.826 27 residues pruned to eliminate duplicates Z: 145 102.249 2.412 0.929 0.587 0.951 0.701 CB 1.771 145 residues pruned to eliminate duplicates Z: 35 29.521 2.183 0.810 0.413 0.882 0.382 CB 1.591 35 residues pruned to eliminate duplicates Z: 41 32.502 2.298 0.750 0.385 0.850 0.450 CB 1.699 41 residues pruned to eliminate duplicates Z: 22 25.563 2.200 0.776 0.514 0.810 0.476 CA 1.739 22 residues pruned to eliminate duplicates Z: 70 75.613 2.410 1.023 0.626 0.913 0.710 CB 1.817 70 residues pruned to eliminate duplicates Z: 32 39.298 2.350 0.973 0.476 0.871 0.484 CB 1.792 32 residues pruned to eliminate duplicates Z: 27 28.776 2.198 0.866 0.403 0.885 0.423 CB 1.723 27 residues pruned to eliminate duplicates Z: 61 73.475 2.430 1.034 0.641 0.933 0.667 CB 1.802 61 residues pruned to eliminate duplicates Z: 18 14.669 2.209 0.572 0.218 0.882 0.118 CB 1.618 18 residues pruned to eliminate duplicates Z: 58 74.670 2.386 1.106 0.621 0.947 0.737 CB 1.853 58 residues pruned to eliminate duplicates Z: 88 85.519 2.441 1.058 0.593 0.931 0.724 CB 1.794 88 residues pruned to eliminate duplicates Z: 89 82.629 2.429 0.998 0.581 0.932 0.648 CB 1.802 89 residues pruned to eliminate duplicates Z: 12 12.588 2.477 0.550 0.183 0.818 0.091 CB 1.769 12 residues pruned to eliminate duplicates Z: 124 99.531 2.448 0.920 0.627 0.927 0.724 CB 1.828 124 residues pruned to eliminate duplicates Z: 21 28.005 2.335 0.994 0.439 0.800 0.350 CB 1.790 21 residues pruned to eliminate duplicates Z: 89 78.020 2.442 0.951 0.592 0.898 0.682 CB 1.781 89 residues pruned to eliminate duplicates Z: 87 87.487 2.463 1.042 0.604 0.942 0.686 CB 1.804 87 residues pruned to eliminate duplicates Z: 52 70.713 2.497 1.021 0.639 0.902 0.667 CB 1.911 52 residues pruned to eliminate duplicates Z: 89 88.288 2.468 0.990 0.608 0.955 0.670 CB 1.812 89 residues pruned to eliminate duplicates Z: 73 66.170 2.327 0.914 0.610 0.917 0.597 CB 1.721 73 residues pruned to eliminate duplicates Z: 83 65.934 2.339 0.921 0.553 0.890 0.622 CB 1.729 83 residues pruned to eliminate duplicates Z: 100 84.173 2.392 0.989 0.576 0.949 0.677 CB 1.740 100 residues pruned to eliminate duplicates Z: 90 77.792 2.404 0.978 0.592 0.910 0.697 CB 1.744 90 residues pruned to eliminate duplicates Z: 131 91.690 2.387 0.851 0.597 0.931 0.685 CB 1.783 131 residues pruned to eliminate duplicates Z: 73 74.135 2.395 1.109 0.585 0.903 0.597 CB 1.767 73 residues pruned to eliminate duplicates Z: 105 101.973 2.439 0.945 0.678 0.971 0.779 CB 1.842 105 residues pruned to eliminate duplicates Z: 61 75.062 2.413 1.053 0.641 0.950 0.633 CB 1.803 61 residues pruned to eliminate duplicates Z: 125 100.104 2.408 0.972 0.607 0.944 0.694 CB 1.812 125 residues pruned to eliminate duplicates Z: 111 86.753 2.407 0.889 0.619 0.918 0.727 CB 1.771 111 residues pruned to eliminate duplicates Z: 127 95.958 2.409 0.864 0.618 0.952 0.683 CB 1.789 127 residues pruned to eliminate duplicates Z: 125 102.241 2.414 0.984 0.626 0.952 0.726 CB 1.789 125 residues pruned to eliminate duplicates Z: 109 93.307 2.391 0.881 0.659 0.963 0.778 CB 1.788 109 residues pruned to eliminate duplicates Z: 125 103.458 2.435 0.949 0.615 0.968 0.677 CB 1.814 125 residues pruned to eliminate duplicates Z: 70 74.409 2.400 1.070 0.632 0.928 0.768 CB 1.718 70 residues pruned to eliminate duplicates Z: 125 104.360 2.439 0.962 0.626 0.952 0.718 CB 1.827 125 residues pruned to eliminate duplicates Z: 159 95.636 2.359 0.873 0.562 0.930 0.709 CB 1.742 159 residues pruned to eliminate duplicates Z: 70 65.677 2.315 1.010 0.630 0.870 0.580 CB 1.729 70 residues pruned to eliminate duplicates Z: 124 106.013 2.447 0.979 0.631 0.959 0.748 CB 1.819 124 residues pruned to eliminate duplicates Z: 125 104.039 2.415 1.006 0.621 0.952 0.694 CB 1.808 125 residues pruned to eliminate duplicates Z: 111 80.189 2.378 0.991 0.539 0.909 0.645 CB 1.709 111 residues pruned to eliminate duplicates Z: 61 70.537 2.360 1.060 0.651 0.983 0.700 CB 1.656 61 residues pruned to eliminate duplicates Z: 85 75.885 2.381 1.068 0.577 0.905 0.595 CB 1.725 85 residues pruned to eliminate duplicates Z: 124 106.140 2.427 1.027 0.631 0.935 0.707 CB 1.840 124 residues pruned to eliminate duplicates Z: 106 95.881 2.416 0.934 0.672 0.943 0.724 CB 1.812 106 residues pruned to eliminate duplicates Z: 106 98.197 2.416 0.911 0.672 0.981 0.743 CB 1.805 106 residues pruned to eliminate duplicates Z: 107 98.225 2.414 0.930 0.649 0.981 0.717 CB 1.816 107 residues pruned to eliminate duplicates Z: 162 93.271 2.312 0.931 0.593 0.888 0.665 CB 1.696 162 residues pruned to eliminate duplicates Z: 17 17.660 2.025 0.646 0.599 0.875 0.625 CB 1.378 17 residues pruned to eliminate duplicates Z: 137 98.652 2.326 0.992 0.626 0.934 0.669 CB 1.738 137 residues pruned to eliminate duplicates Z: 124 109.320 2.453 0.993 0.643 0.951 0.683 CB 1.854 124 residues pruned to eliminate duplicates Z: 106 91.793 2.400 0.905 0.618 0.952 0.724 CB 1.840 106 residues pruned to eliminate duplicates Z: 125 98.724 2.409 0.893 0.620 0.960 0.685 CB 1.809 125 residues pruned to eliminate duplicates Z: 105 101.315 2.429 0.957 0.672 0.981 0.740 CB 1.818 105 residues pruned to eliminate duplicates Z: 124 102.437 2.449 0.920 0.625 0.951 0.732 CB 1.835 124 residues pruned to eliminate duplicates Z: 107 93.523 2.407 0.917 0.659 0.962 0.726 CB 1.765 107 residues pruned to eliminate duplicates Z: 135 100.105 2.428 0.935 0.589 0.925 0.687 CB 1.827 135 residues pruned to eliminate duplicates Z: 124 103.289 2.439 0.977 0.621 0.935 0.715 CB 1.842 124 residues pruned to eliminate duplicates Z: 71 80.990 2.379 1.159 0.634 0.957 0.771 CB 1.737 71 residues pruned to eliminate duplicates Z: 72 80.000 2.379 1.078 0.658 0.944 0.775 CB 1.757 72 residues pruned to eliminate duplicates Z: 60 60.666 2.357 0.769 0.588 0.949 0.780 CB 1.834 60 residues pruned to eliminate duplicates Z: 60 56.196 2.342 0.732 0.573 0.932 0.678 CB 1.803 60 residues pruned to eliminate duplicates Z: 126 98.716 2.413 0.906 0.624 0.944 0.712 CB 1.809 126 residues pruned to eliminate duplicates Z: 77 80.816 2.422 0.970 0.612 0.974 0.750 CB 1.794 77 residues pruned to eliminate duplicates Z: 124 102.845 2.441 0.917 0.623 0.967 0.715 CB 1.824 124 residues pruned to eliminate duplicates Z: 44 44.151 2.255 1.043 0.507 0.930 0.674 CB 1.560 44 residues pruned to eliminate duplicates Z: 124 104.982 2.421 1.017 0.631 0.935 0.683 CB 1.832 124 residues pruned to eliminate duplicates Z: 131 97.153 2.386 0.910 0.600 0.954 0.677 CB 1.783 131 residues pruned to eliminate duplicates Z: 126 101.912 2.403 0.949 0.627 0.952 0.712 CB 1.814 126 residues pruned to eliminate duplicates Z: 128 95.200 2.396 0.889 0.615 0.937 0.661 CB 1.786 128 residues pruned to eliminate duplicates Z: 60 55.857 2.313 0.661 0.591 0.983 0.746 CB 1.765 60 residues pruned to eliminate duplicates Z: 90 78.967 2.394 1.048 0.567 0.921 0.607 CB 1.737 90 residues pruned to eliminate duplicates Z: 131 99.054 2.412 0.935 0.615 0.923 0.738 CB 1.808 131 residues pruned to eliminate duplicates Z: 107 97.983 2.404 0.959 0.654 0.981 0.811 CB 1.786 107 residues pruned to eliminate duplicates Z: 109 99.518 2.405 0.963 0.656 0.963 0.741 CB 1.823 109 residues pruned to eliminate duplicates Z: 21 26.617 2.254 0.814 0.431 0.900 0.650 CB 1.736 21 residues pruned to eliminate duplicates Z: 89 86.231 2.431 1.114 0.600 0.909 0.705 CB 1.789 89 residues pruned to eliminate duplicates Z: 61 60.544 2.331 0.718 0.589 0.983 0.733 CB 1.823 61 residues pruned to eliminate duplicates Z: 124 99.222 2.410 0.885 0.640 0.959 0.732 CB 1.800 124 residues pruned to eliminate duplicates Z: 43 56.833 2.375 0.742 0.650 0.976 0.762 CB 1.887 43 residues pruned to eliminate duplicates Z: 71 60.797 2.311 0.751 0.582 0.943 0.757 CB 1.760 71 residues pruned to eliminate duplicates Z: 42 53.484 2.373 0.771 0.659 0.951 0.756 CB 1.804 42 residues pruned to eliminate duplicates Z: 41 52.600 2.396 0.553 0.691 1.000 0.725 CB 1.877 40 residues pruned to eliminate duplicates Z: 18 29.040 2.190 0.389 0.902 1.000 0.941 CB 1.651 18 residues pruned to eliminate duplicates Z: 128 99.088 2.401 0.924 0.611 0.945 0.701 CB 1.814 128 residues pruned to eliminate duplicates Z: 83 75.825 2.324 0.919 0.655 0.927 0.732 CB 1.755 83 residues pruned to eliminate duplicates Z: 105 98.849 2.430 0.928 0.629 0.981 0.769 CB 1.868 106 residues pruned to eliminate duplicates Z: 16 30.600 2.352 0.373 0.926 1.000 0.867 CB 1.716 16 residues pruned to eliminate duplicates Z: 40 60.663 2.436 0.759 0.689 1.000 0.821 CB 1.907 40 residues pruned to eliminate duplicates Z: 107 94.259 2.399 0.926 0.671 0.953 0.755 CB 1.775 107 residues pruned to eliminate duplicates Z: 41 64.380 2.383 0.919 0.680 1.000 0.775 CB 1.886 41 residues pruned to eliminate duplicates Z: 78 73.367 2.389 0.866 0.595 0.961 0.753 CB 1.783 78 residues pruned to eliminate duplicates Z: 42 55.948 2.333 0.770 0.661 1.000 0.732 CB 1.823 42 residues pruned to eliminate duplicates Z: 41 60.028 2.400 0.817 0.678 1.000 0.850 CB 1.848 41 residues pruned to eliminate duplicates Z: 47 45.333 2.246 0.728 0.599 0.935 0.717 CB 1.677 47 residues pruned to eliminate duplicates Z: 124 104.335 2.446 0.962 0.621 0.951 0.691 CB 1.839 124 residues pruned to eliminate duplicates Z: 43 55.558 2.338 0.776 0.648 0.976 0.714 CB 1.841 43 residues pruned to eliminate duplicates Z: 79 69.983 2.360 0.818 0.598 0.987 0.782 CB 1.704 79 residues pruned to eliminate duplicates Z: 42 57.487 2.378 0.718 0.684 1.000 0.805 CB 1.856 42 residues pruned to eliminate duplicates Z: 38 56.328 2.364 0.748 0.691 1.000 0.838 CB 1.882 38 residues pruned to eliminate duplicates Z: 71 71.629 2.402 0.854 0.613 0.971 0.757 CB 1.778 71 residues pruned to eliminate duplicates Z: 42 56.330 2.360 0.793 0.656 1.000 0.829 CB 1.798 42 residues pruned to eliminate duplicates Z: 72 67.649 2.371 0.756 0.595 1.000 0.732 CB 1.762 72 residues pruned to eliminate duplicates Z: 42 55.837 2.351 0.768 0.660 0.976 0.805 CB 1.854 42 residues pruned to eliminate duplicates Z: 42 59.235 2.330 0.881 0.669 1.000 0.805 CB 1.806 42 residues pruned to eliminate duplicates Z: 41 61.837 2.376 0.816 0.686 1.000 0.750 CB 1.910 41 residues pruned to eliminate duplicates Z: 42 54.927 2.326 0.741 0.665 1.000 0.756 CB 1.819 42 residues pruned to eliminate duplicates Z: 79 81.874 2.322 0.960 0.683 0.962 0.705 CB 1.791 79 residues pruned to eliminate duplicates Z: 123 108.355 2.467 0.970 0.649 0.943 0.721 CB 1.865 123 residues pruned to eliminate duplicates Z: 136 102.631 2.413 0.968 0.620 0.926 0.696 CB 1.794 136 residues pruned to eliminate duplicates Z: 59 62.448 2.358 0.789 0.618 0.948 0.759 CB 1.833 59 residues pruned to eliminate duplicates Z: 42 56.684 2.342 0.721 0.689 0.976 0.780 CB 1.893 42 residues pruned to eliminate duplicates Z: 71 75.536 2.431 0.797 0.646 0.986 0.729 CB 1.831 71 residues pruned to eliminate duplicates Z: 41 53.474 2.349 0.688 0.678 0.975 0.775 CB 1.856 41 residues pruned to eliminate duplicates Z: 14 19.361 2.185 1.135 0.440 0.846 0.692 CB 1.447 28 residues pruned to eliminate duplicates Z: 53 56.040 2.336 0.775 0.601 0.981 0.731 CB 1.735 53 residues pruned to eliminate duplicates Z: 93 73.939 2.345 0.737 0.618 0.957 0.761 CB 1.770 93 residues pruned to eliminate duplicates Z: 52 62.733 2.373 0.894 0.616 0.980 0.706 CB 1.786 52 residues pruned to eliminate duplicates Z: 18 19.380 2.131 0.894 0.398 0.882 0.588 CB 1.469 18 residues pruned to eliminate duplicates Z: 53 58.248 2.336 0.806 0.626 0.981 0.750 CB 1.733 53 residues pruned to eliminate duplicates Z: 53 54.529 2.339 0.778 0.600 0.962 0.788 CB 1.719 53 residues pruned to eliminate duplicates Z: 53 57.557 2.333 0.749 0.620 1.000 0.808 CB 1.746 53 residues pruned to eliminate duplicates Z: 52 52.656 2.368 0.636 0.602 0.980 0.745 CB 1.761 52 residues pruned to eliminate duplicates Z: 53 57.032 2.335 0.742 0.640 0.981 0.788 CB 1.739 53 residues pruned to eliminate duplicates Z: 43 56.493 2.367 0.830 0.645 0.952 0.714 CB 1.845 43 residues pruned to eliminate duplicates Z: 42 49.991 2.371 0.717 0.640 0.976 0.805 CB 1.724 42 residues pruned to eliminate duplicates Z: 42 57.760 2.371 0.776 0.662 1.000 0.829 CB 1.844 42 residues pruned to eliminate duplicates Z: 41 62.030 2.417 0.919 0.654 0.975 0.775 CB 1.880 41 residues pruned to eliminate duplicates Z: 93 70.526 2.348 0.663 0.612 0.957 0.815 CB 1.770 93 residues pruned to eliminate duplicates Z: 43 50.045 2.309 0.910 0.599 0.929 0.690 CB 1.715 43 residues pruned to eliminate duplicates Z: 42 55.078 2.356 0.899 0.617 0.951 0.683 CB 1.810 42 residues pruned to eliminate duplicates Z: 42 52.912 2.357 0.800 0.640 0.951 0.805 CB 1.795 42 residues pruned to eliminate duplicates Z: 43 59.765 2.352 0.858 0.643 1.000 0.762 CB 1.846 43 residues pruned to eliminate duplicates Z: 41 56.545 2.370 0.916 0.663 0.950 0.750 CB 1.781 41 residues pruned to eliminate duplicates Z: 52 58.283 2.347 0.834 0.604 0.980 0.725 CB 1.751 52 residues pruned to eliminate duplicates Z: 44 49.214 2.300 0.820 0.603 0.930 0.674 CB 1.747 44 residues pruned to eliminate duplicates Z: 37 54.092 2.319 0.932 0.678 0.944 0.806 CB 1.809 37 residues pruned to eliminate duplicates Z: 49 53.996 2.339 0.821 0.582 0.917 0.625 CB 1.845 49 residues pruned to eliminate duplicates Z: 52 56.244 2.317 0.955 0.583 0.961 0.765 CB 1.671 52 residues pruned to eliminate duplicates Z: 36 62.299 2.389 0.942 0.705 1.000 0.857 CB 1.884 36 residues pruned to eliminate duplicates Z: 37 55.613 2.367 0.899 0.652 0.972 0.778 CB 1.842 37 residues pruned to eliminate duplicates Z: 116 83.322 2.355 1.025 0.567 0.922 0.643 CB 1.656 116 residues pruned to eliminate duplicates Z: 53 56.298 2.317 0.936 0.560 0.962 0.712 CB 1.707 53 residues pruned to eliminate duplicates Z: 53 50.690 2.312 0.736 0.549 0.962 0.731 CB 1.736 53 residues pruned to eliminate duplicates Z: 42 54.858 2.352 0.907 0.628 0.951 0.732 CB 1.781 42 residues pruned to eliminate duplicates Z: 40 57.016 2.415 0.854 0.633 0.974 0.769 CB 1.846 40 residues pruned to eliminate duplicates Z: 53 60.537 2.329 0.867 0.606 1.000 0.731 CB 1.747 53 residues pruned to eliminate duplicates Z: 51 63.424 2.405 0.850 0.624 0.980 0.780 CB 1.830 51 residues pruned to eliminate duplicates Z: 54 53.677 2.307 0.796 0.596 0.962 0.736 CB 1.687 54 residues pruned to eliminate duplicates Z: 42 58.695 2.349 0.871 0.656 1.000 0.756 CB 1.805 42 residues pruned to eliminate duplicates Z: 50 64.740 2.380 0.883 0.638 1.000 0.735 CB 1.815 50 residues pruned to eliminate duplicates Z: 42 57.284 2.344 0.813 0.657 0.976 0.659 CB 1.865 42 residues pruned to eliminate duplicates Z: 46 58.469 2.357 0.806 0.632 0.978 0.733 CB 1.851 46 residues pruned to eliminate duplicates Z: 46 55.107 2.284 0.865 0.627 0.978 0.778 CB 1.750 46 residues pruned to eliminate duplicates Z: 40 61.027 2.422 0.956 0.644 0.974 0.769 CB 1.850 40 residues pruned to eliminate duplicates Z: 41 59.170 2.370 0.833 0.680 1.000 0.775 CB 1.826 41 residues pruned to eliminate duplicates Z: 53 60.122 2.341 0.903 0.608 0.942 0.808 CB 1.792 53 residues pruned to eliminate duplicates Z: 42 57.335 2.352 0.890 0.641 0.951 0.707 CB 1.857 42 residues pruned to eliminate duplicates Z: 37 61.134 2.352 0.960 0.753 0.972 0.806 CB 1.814 37 residues pruned to eliminate duplicates Z: 78 91.445 2.412 1.088 0.708 0.948 0.792 CB 1.807 78 residues pruned to eliminate duplicates Z: 41 66.028 2.380 0.942 0.709 1.000 0.725 CB 1.868 41 residues pruned to eliminate duplicates Z: 43 53.746 2.314 0.782 0.674 0.976 0.762 CB 1.755 43 residues pruned to eliminate duplicates Z: 35 66.264 2.423 0.920 0.767 1.000 0.794 CB 1.928 35 residues pruned to eliminate duplicates Z: 53 65.281 2.337 0.935 0.637 0.981 0.808 CB 1.796 53 residues pruned to eliminate duplicates 311 residues left after pruning, divided into chains as follows: A: 311 CC for partial structure against native data = 43.69 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.491, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.660, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.818 for dens.mod. cycle 4 = 0.300, Contrast = 0.670, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.672, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.674, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.674, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.674, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2767 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 543 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 62.226 2.373 1.045 0.919 0.962 0.808 C 1.844 B: 25 68.730 2.476 1.017 0.952 1.000 0.875 C 1.934 27 residues pruned to eliminate duplicates C: 28 67.236 2.386 1.074 0.920 1.000 0.704 CB 1.842 D: 11 32.884 2.403 1.368 0.636 0.900 0.700 CB 1.788 E: 26 63.290 2.411 1.088 0.916 0.960 0.880 C 1.849 26 residues pruned to eliminate duplicates F: 26 64.368 2.430 1.066 0.944 0.960 0.720 C 1.850 26 residues pruned to eliminate duplicates G: 38 71.928 2.408 1.142 0.715 1.000 0.757 CB 1.888 H: 26 68.398 2.453 1.064 0.943 1.000 0.840 CB 1.872 25 residues pruned to eliminate duplicates I: 25 81.125 2.492 1.370 0.944 1.000 0.917 C 1.941 26 residues pruned to eliminate duplicates J: 29 53.771 2.363 0.787 0.919 0.964 0.821 CB 1.759 29 residues pruned to eliminate duplicates K: 25 67.309 2.459 1.018 0.944 1.000 0.917 CB 1.918 25 residues pruned to eliminate duplicates L: 21 60.988 2.467 1.089 0.940 1.000 0.850 CB 1.838 21 residues pruned to eliminate duplicates M: 25 69.968 2.490 1.144 0.941 1.000 0.917 C 1.857 25 residues pruned to eliminate duplicates N: 25 64.487 2.478 0.865 0.957 1.000 0.958 C 1.955 25 residues pruned to eliminate duplicates O: 24 69.584 2.492 1.107 0.950 1.000 1.000 C 1.907 24 residues pruned to eliminate duplicates P: 28 66.754 2.403 0.960 0.946 1.000 0.926 CB 1.887 28 residues pruned to eliminate duplicates Q: 109 85.747 2.390 1.019 0.556 0.935 0.694 CB 1.731 36 residues pruned to eliminate duplicates R: 13 22.212 2.206 1.298 0.498 0.750 0.583 CB 1.689 11 residues pruned to eliminate duplicates S: 37 70.652 2.438 1.210 0.697 0.972 0.639 CB 1.878 39 residues pruned to eliminate duplicates T: 11 29.594 2.544 1.480 0.508 0.800 0.600 CB 1.840 13 residues pruned to eliminate duplicates U: 11 29.757 2.260 0.768 0.849 1.000 0.900 CA 1.746 V: 15 22.591 2.191 1.064 0.430 0.857 0.571 CB 1.675 12 residues pruned to eliminate duplicates W: 15 27.100 2.280 0.234 0.933 1.000 1.000 C 1.796 15 residues pruned to eliminate duplicates X: 26 69.491 2.415 1.139 0.921 1.000 0.880 C 1.894 26 residues pruned to eliminate duplicates Y: 28 61.155 2.379 0.859 0.931 1.000 0.889 CB 1.859 28 residues pruned to eliminate duplicates Z: 10 34.189 2.336 0.916 0.889 1.000 0.889 C 1.834 11 residues pruned to eliminate duplicates Z: 80 78.573 2.417 1.030 0.592 0.937 0.684 CB 1.761 80 residues pruned to eliminate duplicates Z: 26 74.333 2.531 1.034 0.946 1.000 0.840 C 1.998 26 residues pruned to eliminate duplicates Z: 16 31.230 2.212 0.632 0.883 0.933 0.933 C 1.730 16 residues pruned to eliminate duplicates Z: 26 62.307 2.452 0.994 0.901 0.960 0.680 CB 1.895 26 residues pruned to eliminate duplicates Z: 25 74.103 2.493 1.209 0.950 1.000 0.875 C 1.894 25 residues pruned to eliminate duplicates Z: 105 95.087 2.403 0.947 0.624 0.971 0.740 CB 1.824 105 residues pruned to eliminate duplicates Z: 19 49.577 2.499 0.761 0.951 1.000 0.833 C 1.830 19 residues pruned to eliminate duplicates Z: 27 60.913 2.369 0.999 0.924 1.000 0.769 CB 1.772 27 residues pruned to eliminate duplicates Z: 10 34.404 2.390 0.896 0.884 1.000 1.000 CA 1.829 10 residues pruned to eliminate duplicates Z: 25 68.567 2.493 1.021 0.948 1.000 0.875 C 1.919 25 residues pruned to eliminate duplicates Z: 6 22.593 2.581 0.356 0.874 1.000 1.000 CB 2.102 6 residues pruned to eliminate duplicates Z: 9 36.538 2.484 0.867 0.907 1.000 1.000 CB 1.980 9 residues pruned to eliminate duplicates Z: 27 74.677 2.472 1.071 0.941 1.000 0.808 CB 1.986 28 residues pruned to eliminate duplicates Z: 36 67.902 2.463 1.074 0.665 1.000 0.629 CB 1.929 Z: 106 103.649 2.412 0.996 0.684 0.990 0.790 CB 1.792 106 residues pruned to eliminate duplicates Z: 26 73.381 2.536 1.095 0.947 0.960 0.880 C 1.988 26 residues pruned to eliminate duplicates Z: 9 33.510 2.554 0.635 0.917 1.000 1.000 C 2.002 9 residues pruned to eliminate duplicates Z: 14 29.464 2.372 0.263 0.946 1.000 1.000 CB 1.887 14 residues pruned to eliminate duplicates Z: 125 106.423 2.437 0.964 0.631 0.968 0.718 CB 1.824 126 residues pruned to eliminate duplicates Z: 28 66.555 2.441 0.934 0.938 1.000 0.889 CB 1.887 28 residues pruned to eliminate duplicates Z: 9 32.829 2.436 0.954 0.888 1.000 0.875 CB 1.758 9 residues pruned to eliminate duplicates Z: 37 44.385 2.346 1.003 0.476 0.944 0.750 CB 1.708 37 residues pruned to eliminate duplicates Z: 17 38.671 2.331 0.759 0.851 0.938 0.688 CB 1.862 17 residues pruned to eliminate duplicates Z: 37 43.953 2.330 1.061 0.521 0.917 0.722 CB 1.631 37 residues pruned to eliminate duplicates Z: 16 49.355 2.442 0.960 0.891 1.000 0.867 CA 1.914 16 residues pruned to eliminate duplicates Z: 25 75.880 2.495 1.313 0.930 1.000 0.917 C 1.878 25 residues pruned to eliminate duplicates Z: 16 31.228 2.330 0.563 0.859 0.933 0.867 CB 1.745 Z: 27 24.048 2.154 0.778 0.400 0.885 0.500 CB 1.547 Z: 28 70.878 2.400 1.132 0.945 0.963 0.926 CB 1.916 28 residues pruned to eliminate duplicates Z: 9 41.341 2.511 1.056 0.918 1.000 0.875 C 1.997 9 residues pruned to eliminate duplicates Z: 10 31.695 2.427 0.708 0.886 1.000 0.889 CA 1.838 10 residues pruned to eliminate duplicates Z: 16 49.089 2.425 1.046 0.856 1.000 0.800 CB 1.884 16 residues pruned to eliminate duplicates Z: 29 50.083 2.344 0.653 0.910 0.964 0.786 CB 1.797 29 residues pruned to eliminate duplicates Z: 10 32.373 2.479 0.648 0.876 1.000 1.000 CA 1.919 10 residues pruned to eliminate duplicates Z: 28 67.577 2.389 1.214 0.931 0.926 0.852 CB 1.856 28 residues pruned to eliminate duplicates Z: 87 74.525 2.420 0.993 0.563 0.907 0.674 CB 1.728 58 residues pruned to eliminate duplicates Z: 27 65.525 2.364 1.049 0.951 1.000 0.808 C 1.828 27 residues pruned to eliminate duplicates Z: 26 67.934 2.498 0.966 0.940 1.000 0.800 CB 1.921 26 residues pruned to eliminate duplicates Z: 11 23.615 2.348 1.506 0.466 0.800 0.600 CB 1.642 11 residues pruned to eliminate duplicates Z: 26 66.527 2.519 0.946 0.936 0.960 0.840 C 1.969 26 residues pruned to eliminate duplicates Z: 15 31.497 2.431 0.354 0.922 1.000 0.929 CB 1.798 15 residues pruned to eliminate duplicates Z: 44 54.166 2.377 0.666 0.657 0.977 0.744 CB 1.845 26 residues pruned to eliminate duplicates Z: 26 75.793 2.524 1.065 0.942 1.000 0.800 C 2.018 26 residues pruned to eliminate duplicates Z: 37 69.332 2.446 1.177 0.670 0.972 0.694 CB 1.908 36 residues pruned to eliminate duplicates Z: 15 30.831 2.453 0.256 0.930 1.000 1.000 CB 1.870 15 residues pruned to eliminate duplicates Z: 16 38.059 2.393 0.650 0.889 1.000 0.733 CB 1.791 16 residues pruned to eliminate duplicates Z: 27 72.655 2.365 1.320 0.926 1.000 0.846 C 1.821 27 residues pruned to eliminate duplicates Z: 16 34.669 2.326 0.472 0.909 1.000 0.867 CA 1.855 16 residues pruned to eliminate duplicates Z: 36 72.791 2.493 1.109 0.684 1.000 0.686 CB 1.977 37 residues pruned to eliminate duplicates Z: 26 69.138 2.487 1.148 0.906 0.960 0.840 C 1.917 26 residues pruned to eliminate duplicates Z: 10 24.683 2.582 1.080 0.540 0.778 0.667 CB 1.894 10 residues pruned to eliminate duplicates Z: 8 28.079 2.517 0.523 0.903 1.000 1.000 C 1.974 8 residues pruned to eliminate duplicates Z: 72 72.146 2.415 0.843 0.597 0.972 0.761 CB 1.805 72 residues pruned to eliminate duplicates Z: 27 72.266 2.478 1.043 0.944 1.000 0.923 CB 1.938 27 residues pruned to eliminate duplicates Z: 7 7.687 1.947 0.498 0.534 0.667 0.667 CB 1.562 7 residues pruned to eliminate duplicates Z: 50 55.503 2.359 0.741 0.656 0.980 0.796 CB 1.705 44 residues pruned to eliminate duplicates Z: 12 21.792 2.301 1.143 0.449 0.818 0.727 CB 1.716 12 residues pruned to eliminate duplicates Z: 13 26.305 2.390 0.153 0.897 1.000 0.833 CB 1.972 13 residues pruned to eliminate duplicates Z: 49 57.531 2.390 0.744 0.648 1.000 0.771 CB 1.735 50 residues pruned to eliminate duplicates Z: 130 102.728 2.395 0.965 0.628 0.953 0.744 CB 1.786 129 residues pruned to eliminate duplicates Z: 12 22.705 2.208 1.089 0.539 0.818 0.727 CB 1.746 12 residues pruned to eliminate duplicates Z: 16 20.876 1.968 1.005 0.535 0.933 0.533 CB 1.415 16 residues pruned to eliminate duplicates Z: 17 29.147 2.196 0.427 0.882 1.000 0.875 CB 1.683 17 residues pruned to eliminate duplicates Z: 33 26.366 2.327 0.517 0.437 0.875 0.500 CB 1.611 33 residues pruned to eliminate duplicates Z: 130 93.761 2.394 0.893 0.608 0.930 0.674 CB 1.768 130 residues pruned to eliminate duplicates Z: 37 72.758 2.424 1.175 0.718 0.972 0.694 CB 1.942 37 residues pruned to eliminate duplicates Z: 15 34.630 2.471 0.392 0.924 1.000 0.929 CB 1.889 15 residues pruned to eliminate duplicates Z: 24 73.361 2.460 1.303 0.948 1.000 0.913 C 1.864 24 residues pruned to eliminate duplicates Z: 27 59.699 2.367 0.991 0.916 0.962 0.808 CB 1.824 27 residues pruned to eliminate duplicates Z: 6 18.415 2.264 0.478 0.889 1.000 0.600 CB 1.773 6 residues pruned to eliminate duplicates Z: 10 29.890 2.438 0.542 0.880 1.000 1.000 CA 1.921 10 residues pruned to eliminate duplicates Z: 26 71.989 2.458 1.161 0.946 1.000 0.840 C 1.876 26 residues pruned to eliminate duplicates Z: 41 69.933 2.436 0.987 0.766 0.975 0.750 CB 1.851 41 residues pruned to eliminate duplicates Z: 16 27.837 2.167 0.480 0.893 0.933 0.933 C 1.724 16 residues pruned to eliminate duplicates Z: 27 69.788 2.353 1.204 0.928 1.000 0.846 C 1.848 27 residues pruned to eliminate duplicates Z: 70 71.178 2.371 1.065 0.643 0.913 0.710 CB 1.677 70 residues pruned to eliminate duplicates Z: 10 25.507 2.405 0.493 0.874 1.000 1.000 CB 1.724 10 residues pruned to eliminate duplicates Z: 52 58.229 2.329 0.800 0.629 1.000 0.706 CB 1.723 49 residues pruned to eliminate duplicates Z: 17 31.895 2.281 0.540 0.893 0.938 0.812 CB 1.738 17 residues pruned to eliminate duplicates Z: 28 53.283 2.371 0.694 0.930 1.000 0.852 CB 1.785 28 residues pruned to eliminate duplicates Z: 127 95.475 2.406 0.909 0.599 0.929 0.730 CB 1.814 127 residues pruned to eliminate duplicates Z: 9 27.480 2.401 0.612 0.861 1.000 1.000 CB 1.844 9 residues pruned to eliminate duplicates Z: 15 36.772 2.288 0.675 0.914 1.000 0.857 C 1.813 15 residues pruned to eliminate duplicates Z: 30 52.665 2.325 1.031 0.689 1.000 0.655 CB 1.742 30 residues pruned to eliminate duplicates Z: 16 39.021 2.424 0.686 0.868 1.000 0.867 CB 1.802 16 residues pruned to eliminate duplicates Z: 25 71.124 2.470 1.185 0.941 1.000 0.833 C 1.866 25 residues pruned to eliminate duplicates Z: 27 58.897 2.442 0.803 0.942 1.000 0.885 CB 1.819 27 residues pruned to eliminate duplicates Z: 16 43.310 2.429 0.770 0.868 1.000 0.800 CB 1.902 16 residues pruned to eliminate duplicates Z: 28 59.951 2.400 0.894 0.910 1.000 0.741 CB 1.800 28 residues pruned to eliminate duplicates Z: 10 38.552 2.374 1.077 0.853 1.000 0.889 CA 1.927 10 residues pruned to eliminate duplicates Z: 10 5.638 2.164 -0.001 0.425 0.667 0.333 CB 1.410 10 residues pruned to eliminate duplicates Z: 18 30.506 2.223 0.470 0.879 1.000 0.941 CB 1.642 18 residues pruned to eliminate duplicates Z: 87 72.775 2.403 1.007 0.577 0.884 0.640 CB 1.709 87 residues pruned to eliminate duplicates Z: 10 28.535 2.427 0.778 0.860 0.889 0.889 CA 1.824 10 residues pruned to eliminate duplicates Z: 13 18.975 2.016 0.689 0.778 0.917 0.750 CB 1.373 13 residues pruned to eliminate duplicates Z: 42 59.113 2.343 1.025 0.654 0.951 0.756 CB 1.773 41 residues pruned to eliminate duplicates Z: 50 53.450 2.359 0.764 0.627 0.939 0.776 CB 1.734 53 residues pruned to eliminate duplicates Z: 7 9.842 2.324 0.498 0.464 0.667 0.333 CA 1.796 7 residues pruned to eliminate duplicates Z: 26 58.341 2.445 0.784 0.948 1.000 0.920 CB 1.847 26 residues pruned to eliminate duplicates Z: 25 63.285 2.457 0.890 0.946 1.000 0.875 C 1.924 25 residues pruned to eliminate duplicates Z: 17 38.910 2.322 0.863 0.858 0.938 0.750 CA 1.767 17 residues pruned to eliminate duplicates Z: 45 31.914 2.331 0.784 0.383 0.841 0.500 CB 1.559 45 residues pruned to eliminate duplicates Z: 100 89.443 2.433 1.037 0.591 0.939 0.646 CB 1.770 100 residues pruned to eliminate duplicates Z: 21 30.520 2.456 0.830 0.448 0.900 0.400 CB 1.780 21 residues pruned to eliminate duplicates Z: 81 84.087 2.366 0.961 0.687 0.938 0.775 CB 1.820 81 residues pruned to eliminate duplicates Z: 41 36.226 2.303 0.830 0.392 0.875 0.500 CB 1.742 41 residues pruned to eliminate duplicates Z: 27 71.911 2.455 1.038 0.953 1.000 0.923 C 1.940 27 residues pruned to eliminate duplicates Z: 25 72.656 2.430 1.288 0.940 1.000 0.917 C 1.853 25 residues pruned to eliminate duplicates Z: 6 16.720 2.297 0.378 0.886 1.000 0.600 CA 1.704 6 residues pruned to eliminate duplicates Z: 27 75.059 2.448 1.108 0.935 1.000 0.962 C 1.988 27 residues pruned to eliminate duplicates Z: 84 62.218 2.348 0.951 0.531 0.867 0.651 CB 1.667 84 residues pruned to eliminate duplicates Z: 26 71.411 2.306 1.473 0.915 1.000 0.880 C 1.770 26 residues pruned to eliminate duplicates Z: 17 31.434 2.128 0.539 0.921 1.000 1.000 C 1.688 17 residues pruned to eliminate duplicates Z: 108 91.824 2.378 0.901 0.644 0.963 0.785 CB 1.783 108 residues pruned to eliminate duplicates Z: 36 60.502 2.452 0.924 0.747 0.914 0.771 CB 1.902 36 residues pruned to eliminate duplicates Z: 25 68.874 2.494 1.192 0.937 0.958 0.875 C 1.867 25 residues pruned to eliminate duplicates Z: 30 18.616 2.249 0.565 0.334 0.759 0.517 CB 1.552 30 residues pruned to eliminate duplicates Z: 28 70.538 2.387 1.136 0.943 1.000 0.815 CB 1.844 28 residues pruned to eliminate duplicates Z: 27 62.696 2.463 0.817 0.948 1.000 0.846 CB 1.898 27 residues pruned to eliminate duplicates Z: 10 18.642 1.812 1.067 0.831 1.000 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 16 37.429 2.213 1.048 0.886 0.933 0.933 C 1.648 16 residues pruned to eliminate duplicates Z: 12 18.894 2.198 1.109 0.500 0.727 0.636 CB 1.690 12 residues pruned to eliminate duplicates Z: 111 99.095 2.433 0.980 0.642 0.964 0.755 CB 1.783 111 residues pruned to eliminate duplicates Z: 52 53.851 2.319 0.829 0.597 0.941 0.745 CB 1.721 52 residues pruned to eliminate duplicates Z: 15 40.278 2.416 0.693 0.913 1.000 0.571 CB 1.863 15 residues pruned to eliminate duplicates Z: 17 27.647 2.228 0.423 0.869 0.938 0.812 CB 1.699 17 residues pruned to eliminate duplicates Z: 35 56.063 2.383 0.929 0.680 0.971 0.794 CB 1.826 35 residues pruned to eliminate duplicates Z: 72 66.210 2.346 0.982 0.637 0.901 0.662 CB 1.649 72 residues pruned to eliminate duplicates Z: 18 29.680 2.036 0.898 0.847 0.882 0.765 C 1.567 18 residues pruned to eliminate duplicates Z: 22 28.720 2.375 0.871 0.430 0.857 0.476 CB 1.771 22 residues pruned to eliminate duplicates Z: 27 59.210 2.425 0.768 0.929 1.000 0.962 CB 1.896 27 residues pruned to eliminate duplicates Z: 25 65.842 2.436 1.119 0.944 0.958 0.875 CB 1.882 25 residues pruned to eliminate duplicates Z: 15 41.023 2.348 0.935 0.893 0.929 0.714 C 1.866 15 residues pruned to eliminate duplicates Z: 81 64.270 2.383 0.894 0.600 0.875 0.688 CB 1.654 81 residues pruned to eliminate duplicates Z: 17 35.943 2.272 0.640 0.901 1.000 0.875 CB 1.720 17 residues pruned to eliminate duplicates Z: 44 56.881 2.378 0.651 0.671 1.000 0.791 CB 1.888 44 residues pruned to eliminate duplicates Z: 42 55.275 2.360 0.801 0.672 1.000 0.854 CB 1.734 42 residues pruned to eliminate duplicates Z: 16 54.554 2.557 1.351 0.684 1.000 0.600 CB 1.978 16 residues pruned to eliminate duplicates Z: 78 65.188 2.413 0.915 0.587 0.883 0.688 CB 1.675 78 residues pruned to eliminate duplicates Z: 27 63.006 2.340 1.143 0.920 0.962 0.769 C 1.804 27 residues pruned to eliminate duplicates Z: 110 94.368 2.382 0.952 0.655 0.945 0.771 CB 1.782 110 residues pruned to eliminate duplicates Z: 7 9.630 1.920 0.765 0.697 0.667 0.500 CA 1.455 7 residues pruned to eliminate duplicates Z: 40 41.300 2.276 1.053 0.509 0.949 0.718 CB 1.478 40 residues pruned to eliminate duplicates Z: 10 29.716 2.283 0.949 0.880 1.000 1.000 C 1.612 10 residues pruned to eliminate duplicates Z: 11 17.021 2.321 0.974 0.440 0.700 0.700 CB 1.786 11 residues pruned to eliminate duplicates Z: 10 24.814 2.206 0.666 0.855 1.000 0.778 C 1.661 10 residues pruned to eliminate duplicates Z: 17 37.232 2.249 0.795 0.857 1.000 0.750 CB 1.698 17 residues pruned to eliminate duplicates Z: 43 48.515 2.324 0.673 0.638 0.952 0.690 CB 1.777 43 residues pruned to eliminate duplicates Z: 125 103.874 2.422 1.011 0.632 0.935 0.702 CB 1.808 125 residues pruned to eliminate duplicates Z: 54 67.620 2.390 0.994 0.649 0.943 0.660 CB 1.798 54 residues pruned to eliminate duplicates Z: 18 27.515 2.136 0.328 0.895 1.000 0.824 CB 1.686 18 residues pruned to eliminate duplicates Z: 25 69.191 2.489 1.094 0.945 1.000 0.917 C 1.875 25 residues pruned to eliminate duplicates Z: 26 72.193 2.527 1.067 0.960 0.960 0.880 C 1.973 26 residues pruned to eliminate duplicates Z: 18 37.051 2.148 0.797 0.869 1.000 0.765 C 1.700 18 residues pruned to eliminate duplicates Z: 16 33.403 2.185 0.962 0.874 0.867 0.733 C 1.690 16 residues pruned to eliminate duplicates Z: 44 38.352 2.231 0.931 0.485 0.930 0.674 CB 1.481 44 residues pruned to eliminate duplicates Z: 10 7.667 1.849 0.201 0.633 0.889 0.556 CB 1.143 10 residues pruned to eliminate duplicates Z: 43 48.873 2.309 0.705 0.670 0.929 0.833 CB 1.763 43 residues pruned to eliminate duplicates Z: 10 29.738 2.324 0.750 0.879 1.000 0.889 CB 1.767 10 residues pruned to eliminate duplicates Z: 37 76.593 2.400 1.274 0.708 1.000 0.694 CB 1.936 37 residues pruned to eliminate duplicates Z: 16 35.645 2.173 0.603 0.919 1.000 0.800 CB 1.862 16 residues pruned to eliminate duplicates Z: 6 17.555 2.463 0.198 0.888 1.000 1.000 CB 1.916 6 residues pruned to eliminate duplicates Z: 15 34.804 2.297 0.654 0.937 1.000 1.000 C 1.704 15 residues pruned to eliminate duplicates Z: 28 74.003 2.391 1.318 0.918 0.963 0.852 CB 1.882 28 residues pruned to eliminate duplicates Z: 43 63.591 2.295 1.088 0.751 0.952 0.810 CB 1.719 43 residues pruned to eliminate duplicates Z: 6 6.576 1.673 0.929 0.675 1.000 0.800 CB 0.776 6 residues pruned to eliminate duplicates Z: 108 89.799 2.392 0.870 0.606 0.953 0.729 CB 1.840 144 residues pruned to eliminate duplicates Z: 17 30.848 2.251 0.521 0.848 1.000 0.688 CB 1.672 17 residues pruned to eliminate duplicates Z: 79 61.648 2.289 0.931 0.522 0.897 0.615 CB 1.722 41 residues pruned to eliminate duplicates Z: 59 78.573 2.401 0.979 0.727 0.966 0.776 CB 1.832 59 residues pruned to eliminate duplicates Z: 44 32.725 2.253 0.775 0.479 0.837 0.628 CB 1.522 44 residues pruned to eliminate duplicates Z: 50 59.632 2.346 0.823 0.646 0.980 0.776 CB 1.773 50 residues pruned to eliminate duplicates Z: 7 6.191 1.770 0.539 0.433 0.833 0.667 CB 1.194 8 residues pruned to eliminate duplicates Z: 28 74.196 2.399 1.185 0.944 1.000 0.926 CB 1.887 28 residues pruned to eliminate duplicates Z: 11 16.389 1.850 0.773 0.628 1.000 0.600 CA 1.401 11 residues pruned to eliminate duplicates Z: 25 62.840 2.440 1.021 0.923 1.000 0.792 C 1.828 25 residues pruned to eliminate duplicates Z: 42 55.736 2.356 0.806 0.672 0.976 0.756 CB 1.789 42 residues pruned to eliminate duplicates Z: 17 25.313 2.185 0.312 0.874 1.000 0.875 CB 1.606 17 residues pruned to eliminate duplicates Z: 67 62.181 2.280 1.013 0.609 0.894 0.621 CB 1.682 67 residues pruned to eliminate duplicates Z: 34 76.522 2.523 1.189 0.801 0.939 0.788 CB 1.973 34 residues pruned to eliminate duplicates Z: 27 68.457 2.422 1.052 0.940 1.000 0.923 CB 1.876 27 residues pruned to eliminate duplicates Z: 36 42.957 2.384 0.915 0.519 0.943 0.686 CB 1.655 36 residues pruned to eliminate duplicates Z: 18 32.717 2.173 0.664 0.830 1.000 0.765 CA 1.650 18 residues pruned to eliminate duplicates Z: 132 95.341 2.384 0.911 0.607 0.924 0.702 CB 1.788 132 residues pruned to eliminate duplicates Z: 40 48.842 2.345 0.719 0.653 0.949 0.744 CB 1.773 40 residues pruned to eliminate duplicates Z: 15 36.986 2.313 0.617 0.957 1.000 1.000 C 1.815 15 residues pruned to eliminate duplicates Z: 128 100.953 2.409 0.951 0.615 0.945 0.709 CB 1.810 125 residues pruned to eliminate duplicates Z: 124 110.764 2.447 1.019 0.633 0.967 0.740 CB 1.844 127 residues pruned to eliminate duplicates Z: 15 34.405 2.294 0.620 0.947 1.000 1.000 C 1.710 15 residues pruned to eliminate duplicates Z: 16 33.799 2.256 0.507 0.925 1.000 0.933 C 1.801 16 residues pruned to eliminate duplicates Z: 16 45.536 2.255 1.038 0.931 1.000 0.867 CB 1.787 16 residues pruned to eliminate duplicates Z: 38 32.693 2.122 0.931 0.453 0.919 0.541 CB 1.498 38 residues pruned to eliminate duplicates Z: 74 63.828 2.353 0.907 0.639 0.918 0.712 CB 1.593 74 residues pruned to eliminate duplicates Z: 19 34.163 2.356 1.029 0.640 0.944 0.722 CB 1.563 19 residues pruned to eliminate duplicates Z: 42 57.729 2.355 0.841 0.648 1.000 0.732 CB 1.812 42 residues pruned to eliminate duplicates Z: 106 98.203 2.400 0.961 0.675 0.962 0.762 CB 1.802 106 residues pruned to eliminate duplicates Z: 27 71.381 2.427 1.169 0.940 1.000 0.846 CB 1.847 27 residues pruned to eliminate duplicates Z: 11 9.527 1.551 0.591 0.612 1.000 0.800 CB 1.099 Z: 43 52.310 2.264 0.965 0.650 0.929 0.738 CB 1.698 43 residues pruned to eliminate duplicates Z: 25 70.583 2.508 1.156 0.935 1.000 0.833 C 1.857 25 residues pruned to eliminate duplicates Z: 28 22.927 2.214 0.589 0.425 0.852 0.481 CB 1.591 28 residues pruned to eliminate duplicates Z: 27 61.782 2.329 0.981 0.936 1.000 0.923 C 1.829 27 residues pruned to eliminate duplicates Z: 79 75.133 2.380 1.085 0.574 0.910 0.654 CB 1.753 79 residues pruned to eliminate duplicates Z: 57 56.352 2.379 0.641 0.611 0.946 0.732 CB 1.833 57 residues pruned to eliminate duplicates Z: 47 65.063 2.416 1.104 0.621 0.913 0.739 CB 1.844 47 residues pruned to eliminate duplicates Z: 106 86.130 2.358 0.924 0.591 0.933 0.714 CB 1.820 106 residues pruned to eliminate duplicates Z: 125 101.870 2.416 1.001 0.627 0.944 0.758 CB 1.780 125 residues pruned to eliminate duplicates Z: 36 47.524 2.260 0.780 0.721 0.943 0.686 CB 1.734 36 residues pruned to eliminate duplicates Z: 25 70.499 2.478 1.310 0.944 0.958 0.792 C 1.817 25 residues pruned to eliminate duplicates Z: 49 61.537 2.419 0.905 0.632 0.979 0.708 CB 1.739 49 residues pruned to eliminate duplicates Z: 50 61.514 2.356 0.880 0.637 0.980 0.776 CB 1.781 49 residues pruned to eliminate duplicates Z: 9 10.507 1.696 0.777 0.694 0.875 0.625 CB 1.180 11 residues pruned to eliminate duplicates Z: 24 29.016 2.315 0.907 0.494 0.870 0.696 CB 1.585 24 residues pruned to eliminate duplicates Z: 62 79.645 2.381 1.210 0.661 0.934 0.639 CB 1.787 62 residues pruned to eliminate duplicates Z: 7 8.518 1.687 0.394 0.663 1.000 0.333 CA 1.272 7 residues pruned to eliminate duplicates Z: 61 56.314 2.319 0.620 0.584 0.983 0.750 CB 1.816 61 residues pruned to eliminate duplicates Z: 92 88.187 2.395 0.971 0.636 0.934 0.670 CB 1.845 92 residues pruned to eliminate duplicates Z: 40 73.594 2.356 1.291 0.768 0.949 0.744 CB 1.816 40 residues pruned to eliminate duplicates Z: 7 12.069 1.739 0.471 0.755 1.000 0.833 N 1.535 7 residues pruned to eliminate duplicates Z: 45 64.916 2.363 0.985 0.657 1.000 0.682 CB 1.803 45 residues pruned to eliminate duplicates Z: 8 11.879 2.040 0.633 0.722 0.857 0.429 CA 1.286 8 residues pruned to eliminate duplicates Z: 23 27.493 2.202 0.905 0.407 0.864 0.318 CA 1.784 23 residues pruned to eliminate duplicates Z: 15 50.656 2.277 1.172 0.927 1.000 0.786 C 1.918 15 residues pruned to eliminate duplicates Z: 6 16.941 2.310 0.409 0.867 1.000 0.800 CA 1.702 6 residues pruned to eliminate duplicates Z: 6 3.712 1.783 0.244 0.355 0.800 0.400 N 1.093 6 residues pruned to eliminate duplicates Z: 21 27.283 2.125 0.607 0.736 0.900 0.750 CB 1.605 21 residues pruned to eliminate duplicates Z: 15 33.166 2.276 0.603 0.927 1.000 0.929 C 1.702 15 residues pruned to eliminate duplicates Z: 10 36.659 2.453 0.905 0.890 1.000 0.667 CA 1.882 10 residues pruned to eliminate duplicates Z: 105 95.128 2.416 0.851 0.659 1.000 0.769 CB 1.799 105 residues pruned to eliminate duplicates Z: 27 73.491 2.431 1.199 0.950 1.000 0.846 C 1.859 27 residues pruned to eliminate duplicates Z: 15 45.174 2.401 0.856 0.935 1.000 1.000 CB 1.888 15 residues pruned to eliminate duplicates Z: 27 68.876 2.382 1.160 0.928 1.000 0.769 CB 1.839 27 residues pruned to eliminate duplicates Z: 21 28.276 2.320 0.917 0.482 0.850 0.600 CB 1.703 21 residues pruned to eliminate duplicates Z: 42 52.482 2.339 0.710 0.663 0.976 0.756 CB 1.806 42 residues pruned to eliminate duplicates Z: 16 39.117 2.150 1.010 0.930 1.000 0.933 C 1.635 16 residues pruned to eliminate duplicates Z: 39 55.621 2.299 0.996 0.684 0.947 0.711 CB 1.753 39 residues pruned to eliminate duplicates Z: 10 31.196 2.337 0.882 0.879 0.889 0.889 C 1.929 10 residues pruned to eliminate duplicates Z: 28 20.755 2.195 0.664 0.387 0.852 0.556 CB 1.447 28 residues pruned to eliminate duplicates Z: 6 17.903 2.308 0.456 0.856 1.000 0.600 CA 1.757 6 residues pruned to eliminate duplicates Z: 52 59.691 2.305 0.861 0.655 0.980 0.843 CB 1.721 52 residues pruned to eliminate duplicates Z: 11 15.060 1.901 0.941 0.522 0.900 0.500 CA 1.403 11 residues pruned to eliminate duplicates Z: 27 68.257 2.365 1.232 0.919 1.000 0.846 C 1.787 27 residues pruned to eliminate duplicates Z: 25 74.187 2.501 1.242 0.938 1.000 1.000 C 1.878 25 residues pruned to eliminate duplicates Z: 25 73.746 2.494 1.238 0.952 1.000 0.875 C 1.857 25 residues pruned to eliminate duplicates Z: 18 32.074 2.079 0.720 0.849 0.941 0.706 CA 1.713 18 residues pruned to eliminate duplicates Z: 52 47.264 2.344 0.662 0.604 0.902 0.667 CB 1.706 52 residues pruned to eliminate duplicates Z: 15 29.493 2.271 0.304 0.945 1.000 1.000 CA 1.841 15 residues pruned to eliminate duplicates Z: 27 74.604 2.366 1.344 0.923 1.000 0.808 C 1.854 27 residues pruned to eliminate duplicates Z: 40 54.028 2.307 0.979 0.624 0.949 0.641 CB 1.776 40 residues pruned to eliminate duplicates Z: 76 69.826 2.359 0.977 0.585 0.933 0.573 CB 1.707 76 residues pruned to eliminate duplicates Z: 60 75.365 2.389 1.186 0.646 0.932 0.695 CB 1.760 60 residues pruned to eliminate duplicates Z: 53 54.948 2.279 0.885 0.608 0.942 0.769 CB 1.699 53 residues pruned to eliminate duplicates Z: 8 13.859 2.120 0.256 0.812 1.000 0.571 CA 1.500 8 residues pruned to eliminate duplicates Z: 72 65.363 2.353 0.952 0.553 0.944 0.620 CB 1.700 72 residues pruned to eliminate duplicates Z: 65 70.931 2.427 0.966 0.635 0.938 0.719 CB 1.746 65 residues pruned to eliminate duplicates Z: 70 59.263 2.343 0.809 0.592 0.913 0.681 CB 1.688 70 residues pruned to eliminate duplicates Z: 8 11.264 2.013 0.593 0.586 0.857 0.286 CA 1.426 8 residues pruned to eliminate duplicates Z: 16 31.984 2.255 0.916 0.842 0.867 0.733 CB 1.643 16 residues pruned to eliminate duplicates Z: 71 74.813 2.333 1.066 0.651 0.957 0.729 CB 1.683 71 residues pruned to eliminate duplicates Z: 8 12.113 2.038 0.129 0.782 1.000 0.571 CB 1.553 8 residues pruned to eliminate duplicates Z: 86 78.146 2.368 1.012 0.594 0.953 0.671 CB 1.707 86 residues pruned to eliminate duplicates Z: 25 66.484 2.501 1.072 0.937 0.958 0.833 C 1.902 25 residues pruned to eliminate duplicates Z: 23 24.050 2.099 0.728 0.453 0.909 0.409 CB 1.632 23 residues pruned to eliminate duplicates Z: 20 31.980 2.509 1.076 0.418 0.789 0.526 CB 1.944 20 residues pruned to eliminate duplicates Z: 24 65.681 2.461 1.116 0.944 1.000 0.826 C 1.821 24 residues pruned to eliminate duplicates Z: 59 48.683 2.291 0.608 0.550 0.966 0.655 CB 1.711 59 residues pruned to eliminate duplicates Z: 16 42.143 2.387 0.626 0.935 1.000 0.867 CB 1.954 16 residues pruned to eliminate duplicates Z: 23 25.348 2.181 0.790 0.460 0.864 0.500 CB 1.670 23 residues pruned to eliminate duplicates Z: 9 15.826 1.805 0.562 0.881 1.000 0.875 N 1.437 9 residues pruned to eliminate duplicates Z: 12 12.793 2.010 0.757 0.527 0.909 0.727 CB 1.170 12 residues pruned to eliminate duplicates Z: 72 65.369 2.381 0.845 0.571 0.930 0.690 CB 1.774 72 residues pruned to eliminate duplicates Z: 16 27.244 2.147 0.510 0.814 0.933 0.933 CA 1.769 16 residues pruned to eliminate duplicates Z: 12 17.195 2.113 0.180 0.832 0.909 0.727 CB 1.717 12 residues pruned to eliminate duplicates Z: 42 51.730 2.339 0.854 0.642 0.951 0.732 CB 1.715 42 residues pruned to eliminate duplicates Z: 8 13.008 1.705 0.527 0.892 1.000 1.000 CA 1.357 8 residues pruned to eliminate duplicates Z: 32 60.665 2.511 0.958 0.749 0.903 0.710 CB 1.963 32 residues pruned to eliminate duplicates Z: 73 64.106 2.340 0.703 0.653 0.931 0.764 CB 1.768 85 residues pruned to eliminate duplicates Z: 15 34.171 2.317 0.516 0.908 1.000 0.857 CB 1.847 15 residues pruned to eliminate duplicates Z: 6 4.072 1.838 0.235 0.464 0.600 0.600 C 1.387 15 residues pruned to eliminate duplicates Z: 117 96.829 2.361 0.827 0.681 0.974 0.802 CB 1.812 113 residues pruned to eliminate duplicates Z: 6 3.761 1.697 0.810 0.249 0.600 0.400 CB 1.218 6 residues pruned to eliminate duplicates Z: 32 48.577 2.363 0.752 0.682 1.000 0.774 CB 1.784 32 residues pruned to eliminate duplicates Z: 53 51.591 2.301 0.802 0.608 0.962 0.769 CB 1.620 53 residues pruned to eliminate duplicates Z: 14 15.615 1.903 0.816 0.489 0.923 0.615 C 1.372 14 residues pruned to eliminate duplicates Z: 9 13.643 2.207 0.740 0.512 0.750 0.750 CA 1.654 9 residues pruned to eliminate duplicates Z: 13 17.256 2.041 0.216 0.879 1.000 0.833 CA 1.456 13 residues pruned to eliminate duplicates Z: 18 22.045 2.205 0.631 0.498 0.824 0.706 CB 1.808 18 residues pruned to eliminate duplicates Z: 24 22.268 2.265 0.704 0.437 0.870 0.522 CB 1.476 24 residues pruned to eliminate duplicates Z: 82 66.243 2.266 0.789 0.617 0.938 0.704 CB 1.732 82 residues pruned to eliminate duplicates Z: 17 29.201 2.299 0.354 0.875 1.000 0.938 CA 1.705 17 residues pruned to eliminate duplicates Z: 90 68.796 2.341 0.919 0.590 0.843 0.629 CB 1.768 90 residues pruned to eliminate duplicates Z: 14 14.334 2.042 0.680 0.375 0.923 0.462 CB 1.435 14 residues pruned to eliminate duplicates Z: 25 71.253 2.498 1.222 0.954 0.958 0.917 C 1.881 25 residues pruned to eliminate duplicates Z: 25 71.561 2.491 1.304 0.944 0.958 0.875 C 1.839 25 residues pruned to eliminate duplicates Z: 27 13.940 2.073 0.349 0.285 0.885 0.346 CB 1.407 27 residues pruned to eliminate duplicates Z: 21 38.832 2.239 0.758 0.702 1.000 0.800 C 1.835 21 residues pruned to eliminate duplicates Z: 93 73.270 2.318 0.752 0.626 0.967 0.761 CB 1.727 53 residues pruned to eliminate duplicates Z: 16 23.598 1.977 1.056 0.639 0.933 0.733 CB 1.411 16 residues pruned to eliminate duplicates Z: 71 66.809 2.373 1.013 0.607 0.900 0.671 CB 1.678 71 residues pruned to eliminate duplicates Z: 9 6.721 1.887 0.881 0.360 0.625 0.625 C 1.246 9 residues pruned to eliminate duplicates Z: 11 20.976 1.929 1.075 0.799 0.900 0.800 CB 1.418 11 residues pruned to eliminate duplicates Z: 43 33.594 2.347 0.631 0.497 0.833 0.619 CB 1.630 43 residues pruned to eliminate duplicates Z: 17 24.901 2.197 1.089 0.484 0.812 0.562 CB 1.696 17 residues pruned to eliminate duplicates Z: 17 28.183 2.206 0.323 0.905 1.000 0.938 CB 1.718 17 residues pruned to eliminate duplicates Z: 7 13.177 2.029 0.383 0.853 1.000 0.833 CA 1.417 7 residues pruned to eliminate duplicates Z: 35 61.297 2.366 1.074 0.802 0.941 0.735 C 1.749 35 residues pruned to eliminate duplicates Z: 29 19.025 2.000 0.684 0.387 0.821 0.500 CB 1.466 29 residues pruned to eliminate duplicates Z: 25 59.800 2.429 0.825 0.934 1.000 0.917 CB 1.921 25 residues pruned to eliminate duplicates Z: 47 62.054 2.329 0.937 0.680 0.957 0.783 CB 1.796 47 residues pruned to eliminate duplicates Z: 8 9.251 1.857 0.807 0.351 0.857 0.571 CB 1.429 8 residues pruned to eliminate duplicates Z: 7 17.445 2.264 0.624 0.820 1.000 0.833 CA 1.468 7 residues pruned to eliminate duplicates Z: 10 27.265 2.387 0.554 0.868 1.000 0.889 CA 1.790 10 residues pruned to eliminate duplicates Z: 63 59.623 2.392 0.783 0.611 0.903 0.710 CB 1.770 63 residues pruned to eliminate duplicates Z: 27 50.177 2.328 0.791 0.920 1.000 0.808 CB 1.662 27 residues pruned to eliminate duplicates Z: 56 65.804 2.417 0.860 0.641 0.964 0.582 CB 1.796 56 residues pruned to eliminate duplicates Z: 41 60.336 2.381 0.795 0.683 1.000 0.725 CB 1.887 41 residues pruned to eliminate duplicates Z: 23 26.076 2.210 0.780 0.373 0.909 0.409 CB 1.780 23 residues pruned to eliminate duplicates Z: 27 67.657 2.352 1.209 0.944 0.962 0.885 CB 1.840 27 residues pruned to eliminate duplicates Z: 125 102.360 2.414 0.996 0.629 0.935 0.726 CB 1.806 125 residues pruned to eliminate duplicates Z: 26 31.958 2.200 0.609 0.668 0.960 0.680 CB 1.611 26 residues pruned to eliminate duplicates Z: 19 39.565 2.407 0.720 0.655 1.000 0.778 CB 1.951 19 residues pruned to eliminate duplicates Z: 18 18.103 2.119 0.752 0.432 0.765 0.588 CB 1.660 18 residues pruned to eliminate duplicates Z: 6 4.549 1.586 0.763 0.776 0.800 0.600 CB 0.713 Z: 27 35.858 2.462 0.937 0.447 0.846 0.462 CB 1.841 27 residues pruned to eliminate duplicates Z: 24 84.920 2.507 1.584 0.955 1.000 0.826 C 1.878 24 residues pruned to eliminate duplicates Z: 39 65.323 2.312 1.069 0.704 1.000 0.684 CB 1.840 39 residues pruned to eliminate duplicates Z: 28 46.636 2.467 0.712 0.658 0.963 0.889 CB 1.905 28 residues pruned to eliminate duplicates Z: 72 55.286 2.227 0.685 0.544 0.958 0.732 CB 1.748 72 residues pruned to eliminate duplicates Z: 10 13.339 1.702 0.754 0.726 1.000 0.889 CB 1.215 10 residues pruned to eliminate duplicates Z: 13 24.839 2.121 0.857 0.630 1.000 0.667 CB 1.611 13 residues pruned to eliminate duplicates Z: 16 26.137 2.150 0.483 0.865 0.933 0.933 CA 1.661 16 residues pruned to eliminate duplicates Z: 12 5.837 1.818 0.341 0.353 0.818 0.455 CB 1.035 12 residues pruned to eliminate duplicates Z: 16 22.412 2.234 0.220 0.830 0.933 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 87 74.696 2.367 1.047 0.569 0.907 0.616 CB 1.714 87 residues pruned to eliminate duplicates Z: 21 15.302 2.028 0.581 0.362 0.900 0.400 CB 1.375 21 residues pruned to eliminate duplicates Z: 31 38.912 2.265 0.643 0.639 0.933 0.767 CB 1.796 31 residues pruned to eliminate duplicates Z: 63 75.320 2.378 1.043 0.627 0.968 0.677 CB 1.805 63 residues pruned to eliminate duplicates Z: 130 104.352 2.390 1.023 0.640 0.930 0.698 CB 1.791 131 residues pruned to eliminate duplicates Z: 60 56.802 2.363 0.655 0.606 0.949 0.695 CB 1.801 61 residues pruned to eliminate duplicates Z: 25 66.510 2.464 0.984 0.937 1.000 0.875 CB 1.932 25 residues pruned to eliminate duplicates Z: 14 7.996 1.982 0.193 0.377 0.846 0.538 CB 1.264 14 residues pruned to eliminate duplicates Z: 34 59.707 2.369 1.100 0.683 0.939 0.667 CB 1.880 34 residues pruned to eliminate duplicates Z: 27 65.519 2.464 0.926 0.924 1.000 0.769 CB 1.902 27 residues pruned to eliminate duplicates Z: 14 33.138 2.133 0.866 0.922 1.000 0.769 CB 1.624 14 residues pruned to eliminate duplicates 7 1.986 1.523 0.670 0.303 0.667 0.500 CB 0.595 ? Z: 15 18.520 2.312 0.631 0.422 0.786 0.500 CB 1.812 15 residues pruned to eliminate duplicates Z: 127 97.097 2.382 0.970 0.609 0.944 0.659 CB 1.760 127 residues pruned to eliminate duplicates Z: 14 9.858 1.821 0.487 0.347 0.923 0.615 CB 1.292 14 residues pruned to eliminate duplicates Z: 30 27.733 2.224 0.792 0.430 0.862 0.448 CB 1.613 30 residues pruned to eliminate duplicates Z: 36 30.172 2.268 0.589 0.473 0.886 0.514 CB 1.641 36 residues pruned to eliminate duplicates Z: 26 67.207 2.516 0.840 0.948 1.000 0.840 C 2.005 26 residues pruned to eliminate duplicates Z: 68 69.572 2.375 1.026 0.624 0.896 0.642 CB 1.754 68 residues pruned to eliminate duplicates Z: 7 12.846 1.878 0.955 0.671 0.833 0.833 CA 1.463 7 residues pruned to eliminate duplicates Z: 40 49.560 2.319 0.842 0.632 0.974 0.821 CB 1.684 40 residues pruned to eliminate duplicates Z: 70 77.225 2.372 1.032 0.659 0.957 0.797 CB 1.740 70 residues pruned to eliminate duplicates Z: 100 83.629 2.373 1.012 0.604 0.889 0.646 CB 1.794 100 residues pruned to eliminate duplicates Z: 7 10.456 1.873 0.445 0.875 1.000 1.000 CB 1.147 7 residues pruned to eliminate duplicates Z: 16 27.553 2.304 0.271 0.861 1.000 0.867 CB 1.784 16 residues pruned to eliminate duplicates Z: 56 73.817 2.408 1.095 0.652 0.945 0.636 CB 1.811 56 residues pruned to eliminate duplicates Z: 10 3.573 1.725 0.142 0.327 0.778 0.667 CB 0.941 10 residues pruned to eliminate duplicates Z: 16 20.464 1.956 0.823 0.579 0.867 0.733 CB 1.585 16 residues pruned to eliminate duplicates Z: 6 5.492 1.425 0.538 0.791 1.000 0.600 CB 0.868 Z: 29 23.789 2.115 0.761 0.392 0.893 0.357 CB 1.517 29 residues pruned to eliminate duplicates Z: 71 63.663 2.326 0.921 0.623 0.900 0.700 CB 1.685 71 residues pruned to eliminate duplicates Z: 6 2.743 1.297 0.456 0.298 0.800 0.600 N 1.017 Z: 36 69.293 2.420 1.154 0.713 0.971 0.714 CB 1.907 36 residues pruned to eliminate duplicates Z: 20 22.599 2.116 0.788 0.424 0.895 0.632 CB 1.657 20 residues pruned to eliminate duplicates Z: 19 19.182 2.220 0.739 0.447 0.833 0.667 CB 1.483 19 residues pruned to eliminate duplicates Z: 103 93.390 2.401 0.891 0.648 0.980 0.765 CB 1.809 103 residues pruned to eliminate duplicates Z: 27 68.436 2.455 1.017 0.930 1.000 0.923 CB 1.895 27 residues pruned to eliminate duplicates Z: 15 10.261 1.716 0.692 0.629 0.857 0.643 CB 0.976 15 residues pruned to eliminate duplicates Z: 32 45.983 2.553 0.833 0.512 0.871 0.516 CB 2.003 32 residues pruned to eliminate duplicates Z: 27 38.318 2.584 0.890 0.450 0.808 0.423 CB 2.005 27 residues pruned to eliminate duplicates Z: 15 27.403 2.409 0.247 0.910 1.000 0.857 CB 1.730 15 residues pruned to eliminate duplicates Z: 20 50.665 2.417 1.037 0.921 0.947 0.947 CB 1.753 20 residues pruned to eliminate duplicates Z: 6 4.833 1.604 0.066 0.599 1.000 0.600 CA 1.151 6 residues pruned to eliminate duplicates Z: 15 15.775 2.292 0.782 0.264 0.857 0.357 CB 1.576 15 residues pruned to eliminate duplicates Z: 15 49.298 2.263 1.283 0.946 1.000 0.857 C 1.764 15 residues pruned to eliminate duplicates Z: 91 74.766 2.325 0.721 0.638 0.956 0.767 CB 1.811 97 residues pruned to eliminate duplicates Z: 13 21.488 2.347 0.666 0.473 1.000 0.667 CB 1.631 13 residues pruned to eliminate duplicates Z: 9 12.341 2.070 0.168 0.637 1.000 0.875 C 1.587 9 residues pruned to eliminate duplicates Z: 26 80.312 2.510 1.249 0.946 1.000 0.960 CB 1.967 26 residues pruned to eliminate duplicates Z: 14 29.460 2.540 0.738 0.640 0.846 0.615 C 1.918 14 residues pruned to eliminate duplicates Z: 28 52.257 2.397 1.001 0.714 0.963 0.815 CB 1.793 28 residues pruned to eliminate duplicates Z: 113 89.387 2.392 1.022 0.566 0.929 0.652 CB 1.764 113 residues pruned to eliminate duplicates Z: 98 76.522 2.345 0.951 0.574 0.907 0.588 CB 1.743 98 residues pruned to eliminate duplicates Z: 31 27.327 2.264 0.694 0.393 0.900 0.433 CB 1.620 31 residues pruned to eliminate duplicates Z: 43 36.237 2.298 0.777 0.437 0.857 0.476 CB 1.705 43 residues pruned to eliminate duplicates Z: 20 52.819 2.512 1.027 0.802 0.947 0.947 C 1.930 20 residues pruned to eliminate duplicates Z: 30 52.860 2.376 0.776 0.704 1.000 0.655 CA 1.931 30 residues pruned to eliminate duplicates Z: 6 3.531 1.178 1.032 0.736 0.800 0.600 C 0.667 Z: 16 24.590 2.111 0.472 0.891 0.933 0.667 C 1.574 16 residues pruned to eliminate duplicates Z: 15 23.705 2.187 0.970 0.469 0.929 0.643 CA 1.634 15 residues pruned to eliminate duplicates Z: 21 26.890 2.249 0.885 0.445 0.900 0.600 CB 1.668 21 residues pruned to eliminate duplicates Z: 19 59.367 2.512 1.040 0.932 1.000 0.833 C 1.907 19 residues pruned to eliminate duplicates Z: 36 56.776 2.395 0.734 0.758 0.971 0.886 CB 1.891 36 residues pruned to eliminate duplicates Z: 8 2.402 1.302 0.268 0.440 0.571 0.571 CA 1.023 Z: 19 25.637 2.246 0.809 0.535 0.889 0.833 CB 1.617 19 residues pruned to eliminate duplicates Z: 27 23.131 2.191 0.833 0.354 0.846 0.462 CB 1.563 27 residues pruned to eliminate duplicates Z: 75 56.017 2.298 0.713 0.555 0.919 0.662 CB 1.707 75 residues pruned to eliminate duplicates Z: 6 5.116 1.528 0.141 0.717 1.000 0.600 N 1.078 Z: 79 65.624 2.337 0.958 0.602 0.897 0.641 CB 1.643 79 residues pruned to eliminate duplicates Z: 6 3.595 1.487 0.735 0.392 0.800 0.600 O 0.873 Z: 11 12.848 2.111 0.374 0.427 1.000 0.400 CB 1.511 9 residues pruned to eliminate duplicates Z: 115 97.644 2.410 0.946 0.619 0.965 0.719 CB 1.805 115 residues pruned to eliminate duplicates Z: 32 30.595 2.110 0.782 0.539 0.935 0.710 CB 1.504 32 residues pruned to eliminate duplicates Z: 12 18.030 1.995 0.914 0.647 0.818 0.727 CB 1.518 12 residues pruned to eliminate duplicates Z: 21 18.816 2.161 0.493 0.412 0.950 0.500 CB 1.505 21 residues pruned to eliminate duplicates Z: 43 53.147 2.345 0.599 0.669 1.000 0.690 CB 1.871 43 residues pruned to eliminate duplicates Z: 65 71.043 2.338 0.978 0.656 0.969 0.734 CB 1.714 65 residues pruned to eliminate duplicates Z: 68 81.055 2.420 1.106 0.641 0.940 0.672 CB 1.810 68 residues pruned to eliminate duplicates Z: 36 55.908 2.552 1.109 0.584 0.829 0.600 CB 1.955 36 residues pruned to eliminate duplicates Z: 36 53.621 2.360 0.715 0.725 0.971 0.800 CB 1.881 36 residues pruned to eliminate duplicates Z: 77 76.255 2.392 1.061 0.584 0.921 0.645 CB 1.778 77 residues pruned to eliminate duplicates Z: 90 90.138 2.403 0.931 0.661 0.989 0.764 CB 1.794 90 residues pruned to eliminate duplicates Z: 45 47.512 2.262 0.673 0.591 0.955 0.705 CB 1.817 45 residues pruned to eliminate duplicates Z: 65 84.347 2.447 1.115 0.663 0.953 0.641 CB 1.837 65 residues pruned to eliminate duplicates Z: 23 15.283 2.124 0.623 0.387 0.727 0.545 CB 1.465 23 residues pruned to eliminate duplicates Z: 74 63.510 2.295 0.957 0.628 0.890 0.644 CB 1.649 74 residues pruned to eliminate duplicates Z: 21 27.708 2.141 0.722 0.521 0.950 0.650 CA 1.733 21 residues pruned to eliminate duplicates Z: 6 4.013 1.249 0.621 0.668 1.000 0.600 O 0.759 Z: 56 58.884 2.385 0.661 0.628 0.964 0.764 CB 1.843 56 residues pruned to eliminate duplicates Z: 25 66.699 2.438 1.104 0.927 1.000 0.875 C 1.860 25 residues pruned to eliminate duplicates Z: 18 44.205 2.322 0.950 0.911 0.941 0.882 CB 1.783 18 residues pruned to eliminate duplicates Z: 32 60.129 2.493 0.782 0.707 1.000 0.710 CB 2.013 32 residues pruned to eliminate duplicates Z: 10 21.670 2.245 1.455 0.546 0.889 0.667 CB 1.410 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.542 1.647 0.191 0.612 0.833 0.667 CA 1.244 6 residues pruned to eliminate duplicates Z: 7 2.157 1.572 0.549 0.347 0.500 0.500 CB 0.854 7 residues pruned to eliminate duplicates Z: 38 59.879 2.422 0.910 0.705 0.946 0.730 CB 1.866 38 residues pruned to eliminate duplicates Z: 39 55.907 2.392 0.827 0.684 0.947 0.632 CB 1.849 39 residues pruned to eliminate duplicates Z: 39 57.039 2.376 0.820 0.684 0.974 0.711 CB 1.856 39 residues pruned to eliminate duplicates Z: 39 54.655 2.396 0.878 0.674 0.921 0.684 CB 1.822 39 residues pruned to eliminate duplicates Z: 38 59.190 2.437 0.875 0.654 0.973 0.622 CB 1.897 38 residues pruned to eliminate duplicates Z: 37 53.781 2.432 0.813 0.671 0.944 0.694 CB 1.839 37 residues pruned to eliminate duplicates Z: 37 60.194 2.457 0.830 0.688 0.972 0.750 CB 1.932 37 residues pruned to eliminate duplicates Z: 35 47.511 2.422 0.707 0.652 0.912 0.618 CB 1.876 35 residues pruned to eliminate duplicates Z: 48 59.203 2.428 0.873 0.608 0.936 0.638 CB 1.831 51 residues pruned to eliminate duplicates Z: 16 35.739 2.257 0.617 0.939 1.000 0.933 C 1.758 16 residues pruned to eliminate duplicates Z: 37 56.695 2.443 0.865 0.653 0.944 0.694 CB 1.904 37 residues pruned to eliminate duplicates Z: 43 47.690 2.304 0.822 0.653 0.905 0.619 CB 1.681 43 residues pruned to eliminate duplicates Z: 39 58.342 2.383 0.934 0.680 0.947 0.632 CB 1.837 37 residues pruned to eliminate duplicates Z: 17 41.869 2.142 0.966 0.916 1.000 0.875 C 1.756 17 residues pruned to eliminate duplicates Z: 38 57.032 2.397 0.943 0.674 0.919 0.649 CB 1.866 39 residues pruned to eliminate duplicates Z: 22 45.258 2.285 0.772 0.825 1.000 0.714 C 1.841 22 residues pruned to eliminate duplicates Z: 39 58.497 2.369 0.989 0.665 0.921 0.579 CB 1.876 38 residues pruned to eliminate duplicates Z: 8 10.745 2.084 0.217 0.764 0.857 0.714 CA 1.477 8 residues pruned to eliminate duplicates Z: 37 68.634 2.448 1.080 0.683 0.972 0.583 CB 1.953 37 residues pruned to eliminate duplicates Z: 97 93.881 2.390 1.110 0.643 0.917 0.635 CB 1.814 39 residues pruned to eliminate duplicates Z: 10 15.578 2.122 0.681 0.574 0.889 0.556 CA 1.526 10 residues pruned to eliminate duplicates Z: 37 68.823 2.431 1.175 0.649 0.972 0.639 C 1.942 37 residues pruned to eliminate duplicates Z: 38 63.311 2.396 1.092 0.657 0.973 0.784 CB 1.843 38 residues pruned to eliminate duplicates Z: 38 66.971 2.397 1.089 0.692 0.973 0.703 CB 1.897 38 residues pruned to eliminate duplicates Z: 37 65.758 2.421 1.071 0.662 0.972 0.639 CB 1.934 37 residues pruned to eliminate duplicates Z: 34 60.677 2.424 1.139 0.664 0.939 0.636 CB 1.863 34 residues pruned to eliminate duplicates Z: 39 64.479 2.376 1.144 0.673 0.974 0.711 CB 1.798 39 residues pruned to eliminate duplicates Z: 38 67.898 2.411 1.175 0.677 0.973 0.730 CB 1.858 38 residues pruned to eliminate duplicates Z: 37 68.149 2.455 1.106 0.674 0.972 0.750 CB 1.925 37 residues pruned to eliminate duplicates Z: 50 58.195 2.335 0.952 0.630 0.918 0.694 CB 1.758 50 residues pruned to eliminate duplicates Z: 48 64.857 2.386 1.103 0.625 0.936 0.723 CB 1.790 48 residues pruned to eliminate duplicates Z: 51 59.596 2.304 1.090 0.607 0.900 0.700 CB 1.757 51 residues pruned to eliminate duplicates Z: 18 24.961 2.310 1.263 0.409 0.824 0.588 CB 1.547 18 residues pruned to eliminate duplicates Z: 12 20.241 2.223 1.107 0.503 0.818 0.636 CA 1.588 12 residues pruned to eliminate duplicates Z: 88 64.597 2.338 0.940 0.536 0.897 0.598 CB 1.643 88 residues pruned to eliminate duplicates Z: 15 18.018 2.217 1.054 0.392 0.786 0.571 CB 1.509 15 residues pruned to eliminate duplicates Z: 15 27.334 2.293 1.094 0.466 0.857 0.571 CB 1.837 15 residues pruned to eliminate duplicates Z: 18 26.433 2.327 1.288 0.424 0.824 0.588 CB 1.582 18 residues pruned to eliminate duplicates Z: 12 15.586 2.211 1.072 0.438 0.727 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 25 25.399 2.301 0.857 0.375 0.792 0.458 CB 1.751 25 residues pruned to eliminate duplicates Z: 38 27.810 2.299 0.793 0.332 0.865 0.486 CB 1.541 38 residues pruned to eliminate duplicates Z: 41 34.179 2.252 0.918 0.394 0.900 0.500 CB 1.555 41 residues pruned to eliminate duplicates Z: 17 10.736 1.922 0.759 0.251 0.875 0.438 CB 1.208 17 residues pruned to eliminate duplicates Z: 130 86.658 2.319 0.991 0.594 0.907 0.636 CB 1.666 130 residues pruned to eliminate duplicates Z: 77 73.664 2.420 0.983 0.576 0.934 0.645 CB 1.751 77 residues pruned to eliminate duplicates Z: 14 21.714 2.318 1.212 0.338 1.000 0.615 CB 1.402 14 residues pruned to eliminate duplicates Z: 33 17.993 2.199 0.656 0.369 0.750 0.438 CB 1.341 33 residues pruned to eliminate duplicates Z: 26 19.891 2.128 0.780 0.328 0.800 0.440 CB 1.586 26 residues pruned to eliminate duplicates Z: 28 14.557 2.134 0.514 0.252 0.778 0.370 CB 1.482 28 residues pruned to eliminate duplicates Z: 19 25.792 2.238 0.880 0.423 0.889 0.722 CB 1.761 19 residues pruned to eliminate duplicates Z: 68 64.783 2.382 0.890 0.582 0.940 0.627 CB 1.727 68 residues pruned to eliminate duplicates Z: 73 61.849 2.347 0.827 0.590 0.931 0.639 CB 1.677 73 residues pruned to eliminate duplicates Z: 83 59.777 2.354 0.836 0.536 0.890 0.622 CB 1.657 83 residues pruned to eliminate duplicates Z: 72 64.688 2.353 0.875 0.622 0.930 0.690 CB 1.668 72 residues pruned to eliminate duplicates Z: 71 59.198 2.345 0.906 0.554 0.900 0.714 CB 1.669 71 residues pruned to eliminate duplicates Z: 65 56.980 2.401 0.766 0.603 0.906 0.672 CB 1.680 65 residues pruned to eliminate duplicates Z: 36 26.759 2.310 0.844 0.402 0.800 0.514 CB 1.471 36 residues pruned to eliminate duplicates Z: 61 58.161 2.391 0.818 0.615 0.900 0.717 CB 1.721 61 residues pruned to eliminate duplicates Z: 75 64.223 2.391 0.860 0.564 0.905 0.649 CB 1.742 75 residues pruned to eliminate duplicates Z: 79 68.857 2.390 0.995 0.560 0.897 0.679 CB 1.719 79 residues pruned to eliminate duplicates Z: 76 65.925 2.367 0.933 0.554 0.907 0.653 CB 1.740 76 residues pruned to eliminate duplicates Z: 69 66.249 2.362 0.966 0.602 0.926 0.676 CB 1.694 69 residues pruned to eliminate duplicates Z: 55 56.266 2.401 0.815 0.635 0.907 0.648 CB 1.706 55 residues pruned to eliminate duplicates Z: 26 17.433 2.087 0.565 0.388 0.800 0.440 CB 1.502 26 residues pruned to eliminate duplicates Z: 67 65.284 2.393 0.852 0.602 0.939 0.697 CB 1.751 67 residues pruned to eliminate duplicates Z: 29 23.453 2.292 0.718 0.409 0.786 0.500 CB 1.576 29 residues pruned to eliminate duplicates Z: 71 59.749 2.329 0.747 0.620 0.929 0.686 CB 1.688 71 residues pruned to eliminate duplicates Z: 45 27.797 2.284 0.735 0.378 0.795 0.432 CB 1.514 45 residues pruned to eliminate duplicates Z: 87 69.817 2.412 0.905 0.568 0.895 0.674 CB 1.713 87 residues pruned to eliminate duplicates Z: 31 24.749 2.252 0.629 0.384 0.900 0.533 CB 1.549 31 residues pruned to eliminate duplicates Z: 8 6.699 2.374 0.145 0.344 0.714 0.571 CB 1.545 8 residues pruned to eliminate duplicates Z: 72 60.849 2.337 0.984 0.596 0.845 0.676 CB 1.681 72 residues pruned to eliminate duplicates Z: 73 66.992 2.401 0.876 0.588 0.903 0.694 CB 1.784 73 residues pruned to eliminate duplicates Z: 72 64.753 2.370 0.907 0.596 0.901 0.662 CB 1.721 72 residues pruned to eliminate duplicates Z: 69 67.569 2.393 0.910 0.609 0.912 0.691 CB 1.772 69 residues pruned to eliminate duplicates Z: 72 63.137 2.329 0.903 0.636 0.901 0.690 CB 1.651 72 residues pruned to eliminate duplicates Z: 68 64.945 2.365 0.903 0.629 0.896 0.672 CB 1.744 68 residues pruned to eliminate duplicates Z: 69 59.499 2.346 0.822 0.580 0.912 0.662 CB 1.714 69 residues pruned to eliminate duplicates Z: 66 73.936 2.390 1.019 0.643 0.954 0.708 CB 1.743 66 residues pruned to eliminate duplicates Z: 45 59.887 2.362 0.956 0.682 0.932 0.750 CB 1.774 45 residues pruned to eliminate duplicates Z: 49 58.399 2.382 0.969 0.662 0.896 0.667 CB 1.725 49 residues pruned to eliminate duplicates Z: 72 66.386 2.353 0.925 0.627 0.915 0.662 CB 1.686 72 residues pruned to eliminate duplicates Z: 71 64.493 2.354 0.833 0.651 0.929 0.686 CB 1.672 71 residues pruned to eliminate duplicates Z: 68 60.556 2.318 0.833 0.583 0.940 0.642 CB 1.710 68 residues pruned to eliminate duplicates Z: 47 70.934 2.427 1.103 0.758 0.935 0.804 CB 1.743 47 residues pruned to eliminate duplicates Z: 53 68.660 2.441 1.089 0.644 0.904 0.712 CB 1.805 53 residues pruned to eliminate duplicates Z: 73 69.242 2.315 1.041 0.611 0.917 0.625 CB 1.695 73 residues pruned to eliminate duplicates Z: 36 60.723 2.344 1.246 0.701 0.943 0.800 CB 1.722 36 residues pruned to eliminate duplicates Z: 87 68.336 2.351 0.950 0.562 0.907 0.628 CB 1.669 87 residues pruned to eliminate duplicates Z: 51 63.476 2.445 0.932 0.648 0.900 0.740 CB 1.839 51 residues pruned to eliminate duplicates Z: 46 65.148 2.423 0.932 0.689 0.956 0.733 CB 1.826 46 residues pruned to eliminate duplicates Z: 73 71.636 2.400 0.938 0.601 0.903 0.625 CB 1.827 73 residues pruned to eliminate duplicates Z: 68 67.070 2.365 1.054 0.611 0.866 0.657 CB 1.754 68 residues pruned to eliminate duplicates Z: 45 65.167 2.373 0.918 0.729 0.977 0.818 CB 1.797 45 residues pruned to eliminate duplicates Z: 68 73.675 2.382 1.014 0.638 0.940 0.687 CB 1.754 68 residues pruned to eliminate duplicates Z: 49 67.630 2.499 0.950 0.683 0.917 0.812 CB 1.847 49 residues pruned to eliminate duplicates Z: 72 68.217 2.406 0.927 0.594 0.901 0.690 CB 1.770 72 residues pruned to eliminate duplicates Z: 71 68.464 2.418 1.040 0.578 0.900 0.671 CB 1.711 71 residues pruned to eliminate duplicates Z: 76 58.924 2.299 0.896 0.553 0.893 0.560 CB 1.659 76 residues pruned to eliminate duplicates Z: 74 59.502 2.324 0.991 0.531 0.863 0.616 CB 1.692 74 residues pruned to eliminate duplicates Z: 82 70.508 2.300 1.084 0.616 0.926 0.679 CB 1.583 82 residues pruned to eliminate duplicates Z: 72 66.457 2.299 1.042 0.629 0.915 0.662 CB 1.625 72 residues pruned to eliminate duplicates Z: 73 72.213 2.303 1.084 0.627 0.944 0.639 CB 1.667 73 residues pruned to eliminate duplicates Z: 81 73.277 2.407 1.012 0.578 0.900 0.625 CB 1.743 81 residues pruned to eliminate duplicates Z: 12 31.382 2.436 1.158 0.575 1.000 0.727 CB 1.674 12 residues pruned to eliminate duplicates Z: 54 67.234 2.389 1.083 0.620 0.925 0.604 CB 1.792 54 residues pruned to eliminate duplicates Z: 53 67.274 2.453 1.033 0.639 0.904 0.692 CB 1.817 53 residues pruned to eliminate duplicates Z: 20 34.398 2.343 1.113 0.518 0.895 0.684 CB 1.749 20 residues pruned to eliminate duplicates Z: 22 29.501 2.314 1.055 0.488 0.857 0.714 CB 1.599 22 residues pruned to eliminate duplicates Z: 76 67.554 2.408 1.037 0.571 0.867 0.653 CB 1.713 76 residues pruned to eliminate duplicates Z: 88 68.702 2.385 0.990 0.572 0.862 0.621 CB 1.679 88 residues pruned to eliminate duplicates Z: 16 22.744 1.918 0.986 0.578 0.933 0.667 C 1.532 16 residues pruned to eliminate duplicates Z: 17 19.521 1.988 0.966 0.542 0.938 0.562 CB 1.278 17 residues pruned to eliminate duplicates Z: 16 22.296 2.016 1.079 0.569 0.933 0.600 CB 1.376 16 residues pruned to eliminate duplicates Z: 17 23.722 1.924 1.139 0.633 0.938 0.750 CB 1.356 17 residues pruned to eliminate duplicates Z: 13 24.191 2.165 0.939 0.483 1.000 0.667 CB 1.693 13 residues pruned to eliminate duplicates Z: 29 30.461 2.129 1.061 0.497 0.857 0.571 CB 1.536 29 residues pruned to eliminate duplicates Z: 26 39.124 2.182 1.278 0.610 0.880 0.600 CB 1.611 26 residues pruned to eliminate duplicates Z: 33 29.688 2.208 0.844 0.451 0.844 0.562 CB 1.607 33 residues pruned to eliminate duplicates Z: 44 34.234 2.198 1.054 0.408 0.791 0.465 CB 1.610 44 residues pruned to eliminate duplicates Z: 21 23.613 2.161 1.034 0.456 0.850 0.500 CB 1.478 21 residues pruned to eliminate duplicates Z: 26 32.242 2.148 1.043 0.542 0.880 0.640 CB 1.602 26 residues pruned to eliminate duplicates Z: 81 73.485 2.383 1.047 0.594 0.887 0.688 CB 1.736 81 residues pruned to eliminate duplicates Z: 33 28.956 2.099 0.999 0.461 0.844 0.500 CB 1.505 33 residues pruned to eliminate duplicates Z: 41 36.131 2.325 0.812 0.398 0.875 0.475 CB 1.725 41 residues pruned to eliminate duplicates Z: 41 33.714 2.294 0.942 0.373 0.825 0.450 CB 1.662 41 residues pruned to eliminate duplicates Z: 13 16.089 2.307 0.692 0.378 0.750 0.500 CB 1.806 13 residues pruned to eliminate duplicates Z: 32 29.986 2.274 0.697 0.416 0.903 0.484 CB 1.687 32 residues pruned to eliminate duplicates Z: 40 36.938 2.358 0.927 0.394 0.872 0.615 CB 1.671 40 residues pruned to eliminate duplicates Z: 100 76.695 2.370 1.022 0.540 0.919 0.657 CB 1.683 100 residues pruned to eliminate duplicates Z: 41 30.388 2.302 0.760 0.354 0.850 0.450 CB 1.633 41 residues pruned to eliminate duplicates Z: 40 34.901 2.351 0.841 0.358 0.872 0.513 CB 1.727 40 residues pruned to eliminate duplicates Z: 105 80.596 2.310 1.059 0.570 0.933 0.663 CB 1.665 105 residues pruned to eliminate duplicates Z: 145 103.573 2.405 0.965 0.579 0.958 0.681 CB 1.766 145 residues pruned to eliminate duplicates Z: 127 90.617 2.402 0.894 0.571 0.960 0.667 CB 1.726 127 residues pruned to eliminate duplicates Z: 144 100.272 2.396 0.888 0.593 0.951 0.706 CB 1.783 144 residues pruned to eliminate duplicates Z: 30 26.901 2.216 0.865 0.433 0.862 0.552 CB 1.503 30 residues pruned to eliminate duplicates Z: 34 29.339 2.197 0.814 0.394 0.879 0.424 CB 1.631 34 residues pruned to eliminate duplicates Z: 57 41.180 2.183 0.815 0.457 0.911 0.536 CB 1.593 57 residues pruned to eliminate duplicates Z: 38 24.046 2.174 0.588 0.320 0.892 0.405 CB 1.565 38 residues pruned to eliminate duplicates Z: 124 103.894 2.446 0.923 0.619 0.967 0.691 CB 1.839 124 residues pruned to eliminate duplicates Z: 33 28.908 2.160 0.740 0.410 0.875 0.406 CB 1.707 33 residues pruned to eliminate duplicates Z: 21 31.165 2.363 0.959 0.466 0.850 0.400 CB 1.832 21 residues pruned to eliminate duplicates Z: 20 34.230 2.469 0.818 0.451 0.947 0.421 C 1.941 20 residues pruned to eliminate duplicates Z: 32 30.618 2.381 0.749 0.416 0.839 0.452 CB 1.718 32 residues pruned to eliminate duplicates Z: 84 73.632 2.411 1.028 0.575 0.892 0.639 CB 1.725 84 residues pruned to eliminate duplicates Z: 14 13.335 2.339 0.845 0.194 0.769 0.154 C 1.605 14 residues pruned to eliminate duplicates Z: 124 100.836 2.440 0.949 0.616 0.943 0.764 CB 1.817 124 residues pruned to eliminate duplicates Z: 38 26.335 2.232 0.722 0.439 0.757 0.541 CB 1.585 38 residues pruned to eliminate duplicates Z: 60 78.722 2.440 1.130 0.647 0.949 0.712 CB 1.812 60 residues pruned to eliminate duplicates Z: 62 72.106 2.388 1.082 0.632 0.918 0.672 CB 1.788 62 residues pruned to eliminate duplicates Z: 16 12.608 2.233 0.543 0.182 0.800 0.133 C 1.731 16 residues pruned to eliminate duplicates Z: 81 76.938 2.406 1.025 0.582 0.938 0.688 CB 1.740 81 residues pruned to eliminate duplicates Z: 100 82.919 2.400 0.998 0.577 0.919 0.687 CB 1.756 100 residues pruned to eliminate duplicates Z: 179 113.043 2.418 0.948 0.596 0.916 0.657 CB 1.792 179 residues pruned to eliminate duplicates Z: 21 32.438 2.397 1.011 0.436 0.900 0.400 CB 1.786 21 residues pruned to eliminate duplicates Z: 43 64.126 2.383 1.122 0.706 0.881 0.667 CB 1.842 43 residues pruned to eliminate duplicates Z: 63 74.252 2.407 1.065 0.639 0.919 0.661 CB 1.812 63 residues pruned to eliminate duplicates Z: 124 100.346 2.442 0.885 0.636 0.951 0.740 CB 1.820 124 residues pruned to eliminate duplicates Z: 65 69.790 2.363 0.911 0.628 0.953 0.609 CB 1.796 65 residues pruned to eliminate duplicates Z: 106 100.750 2.422 0.974 0.674 0.971 0.762 CB 1.803 106 residues pruned to eliminate duplicates Z: 125 104.822 2.439 0.930 0.630 0.960 0.742 CB 1.845 125 residues pruned to eliminate duplicates Z: 73 72.351 2.367 0.970 0.629 0.944 0.750 CB 1.715 73 residues pruned to eliminate duplicates Z: 89 87.692 2.444 1.032 0.604 0.955 0.625 CB 1.787 89 residues pruned to eliminate duplicates Z: 89 85.318 2.424 1.082 0.599 0.932 0.705 CB 1.759 89 residues pruned to eliminate duplicates Z: 124 99.798 2.442 0.942 0.635 0.911 0.699 CB 1.837 124 residues pruned to eliminate duplicates Z: 92 81.391 2.384 1.075 0.573 0.912 0.648 CB 1.762 92 residues pruned to eliminate duplicates Z: 39 67.223 2.348 1.232 0.733 0.947 0.763 CB 1.781 39 residues pruned to eliminate duplicates Z: 125 102.833 2.424 0.974 0.624 0.944 0.702 CB 1.821 125 residues pruned to eliminate duplicates Z: 127 92.904 2.407 0.994 0.572 0.929 0.675 CB 1.733 127 residues pruned to eliminate duplicates Z: 36 67.409 2.431 1.193 0.716 0.971 0.771 CB 1.809 36 residues pruned to eliminate duplicates Z: 90 87.748 2.413 1.079 0.587 0.955 0.607 CB 1.785 90 residues pruned to eliminate duplicates Z: 129 97.313 2.393 0.974 0.606 0.914 0.656 CB 1.800 129 residues pruned to eliminate duplicates Z: 113 96.412 2.401 0.991 0.633 0.946 0.741 CB 1.778 113 residues pruned to eliminate duplicates Z: 41 70.813 2.404 1.298 0.737 0.950 0.775 CB 1.724 41 residues pruned to eliminate duplicates Z: 71 79.024 2.378 1.124 0.625 0.971 0.771 CB 1.710 71 residues pruned to eliminate duplicates Z: 123 98.593 2.403 0.992 0.608 0.951 0.738 CB 1.770 123 residues pruned to eliminate duplicates Z: 89 84.548 2.422 1.121 0.581 0.909 0.659 CB 1.785 89 residues pruned to eliminate duplicates Z: 45 66.453 2.269 1.195 0.705 0.977 0.591 CB 1.707 45 residues pruned to eliminate duplicates Z: 89 86.849 2.411 1.125 0.589 0.932 0.636 CB 1.780 89 residues pruned to eliminate duplicates Z: 38 75.089 2.361 1.335 0.759 0.973 0.865 C 1.828 38 residues pruned to eliminate duplicates Z: 42 63.428 2.318 1.203 0.742 0.902 0.756 CB 1.731 42 residues pruned to eliminate duplicates Z: 43 70.211 2.341 1.179 0.767 0.976 0.738 CB 1.718 43 residues pruned to eliminate duplicates Z: 44 65.387 2.311 1.114 0.739 0.953 0.721 CB 1.727 44 residues pruned to eliminate duplicates Z: 125 102.306 2.408 0.951 0.625 0.976 0.702 CB 1.781 125 residues pruned to eliminate duplicates Z: 113 82.144 2.351 1.035 0.530 0.911 0.571 CB 1.729 113 residues pruned to eliminate duplicates Z: 71 75.402 2.379 1.097 0.633 0.929 0.714 CB 1.718 71 residues pruned to eliminate duplicates Z: 125 100.674 2.437 0.958 0.624 0.927 0.685 CB 1.818 125 residues pruned to eliminate duplicates Z: 108 95.298 2.398 0.993 0.651 0.953 0.738 CB 1.757 108 residues pruned to eliminate duplicates Z: 125 108.416 2.432 1.054 0.633 0.944 0.669 CB 1.824 125 residues pruned to eliminate duplicates Z: 129 94.336 2.366 0.941 0.588 0.945 0.703 CB 1.765 129 residues pruned to eliminate duplicates Z: 89 88.632 2.423 1.136 0.584 0.943 0.716 CB 1.786 89 residues pruned to eliminate duplicates Z: 109 97.861 2.393 0.993 0.652 0.972 0.750 CB 1.764 109 residues pruned to eliminate duplicates Z: 68 80.411 2.435 1.124 0.584 0.955 0.657 CB 1.835 68 residues pruned to eliminate duplicates Z: 92 79.709 2.399 1.011 0.581 0.912 0.626 CB 1.758 92 residues pruned to eliminate duplicates Z: 89 83.078 2.421 1.098 0.580 0.909 0.682 CB 1.776 89 residues pruned to eliminate duplicates Z: 124 108.653 2.449 0.996 0.631 0.959 0.748 CB 1.846 124 residues pruned to eliminate duplicates Z: 107 98.072 2.412 0.949 0.678 0.953 0.755 CB 1.806 107 residues pruned to eliminate duplicates Z: 72 72.960 2.401 0.863 0.604 0.972 0.704 CB 1.804 72 residues pruned to eliminate duplicates Z: 80 68.278 2.357 0.823 0.582 0.962 0.696 CB 1.717 80 residues pruned to eliminate duplicates Z: 61 72.257 2.379 1.052 0.664 0.950 0.783 CB 1.729 61 residues pruned to eliminate duplicates Z: 90 90.044 2.399 1.149 0.586 0.955 0.663 CB 1.784 90 residues pruned to eliminate duplicates Z: 124 107.993 2.436 1.026 0.627 0.959 0.724 CB 1.825 124 residues pruned to eliminate duplicates Z: 69 77.850 2.386 1.060 0.649 0.956 0.721 CB 1.749 69 residues pruned to eliminate duplicates Z: 69 85.112 2.406 1.108 0.647 0.985 0.750 CB 1.800 69 residues pruned to eliminate duplicates Z: 78 72.505 2.400 0.807 0.611 0.987 0.779 CB 1.737 78 residues pruned to eliminate duplicates Z: 125 104.213 2.435 0.944 0.626 0.960 0.677 CB 1.829 125 residues pruned to eliminate duplicates Z: 123 107.840 2.453 1.004 0.627 0.959 0.721 CB 1.837 123 residues pruned to eliminate duplicates Z: 72 67.786 2.387 0.784 0.590 0.986 0.704 CB 1.759 72 residues pruned to eliminate duplicates Z: 90 79.554 2.431 0.989 0.577 0.921 0.663 CB 1.758 90 residues pruned to eliminate duplicates Z: 90 88.186 2.401 1.160 0.582 0.955 0.663 CB 1.744 90 residues pruned to eliminate duplicates Z: 115 79.778 2.364 0.966 0.516 0.912 0.579 CB 1.735 115 residues pruned to eliminate duplicates Z: 111 88.481 2.383 0.920 0.620 0.955 0.718 CB 1.725 111 residues pruned to eliminate duplicates Z: 81 72.549 2.366 0.864 0.598 0.988 0.750 CB 1.697 81 residues pruned to eliminate duplicates Z: 25 27.939 2.158 0.846 0.432 0.917 0.625 CB 1.675 25 residues pruned to eliminate duplicates Z: 58 58.937 2.408 0.654 0.579 0.982 0.719 CB 1.849 58 residues pruned to eliminate duplicates Z: 73 66.969 2.375 0.822 0.561 0.972 0.708 CB 1.768 73 residues pruned to eliminate duplicates Z: 89 84.869 2.417 1.054 0.592 0.932 0.750 CB 1.790 89 residues pruned to eliminate duplicates Z: 23 23.517 2.207 0.688 0.428 0.909 0.773 CB 1.596 23 residues pruned to eliminate duplicates Z: 107 97.118 2.403 0.911 0.668 0.981 0.745 CB 1.792 107 residues pruned to eliminate duplicates Z: 142 97.966 2.396 0.914 0.569 0.936 0.702 CB 1.798 142 residues pruned to eliminate duplicates Z: 136 102.130 2.411 0.910 0.603 0.956 0.711 CB 1.811 136 residues pruned to eliminate duplicates Z: 62 55.844 2.318 0.639 0.590 0.967 0.803 CB 1.785 62 residues pruned to eliminate duplicates Z: 72 71.122 2.399 0.831 0.609 0.972 0.732 CB 1.783 72 residues pruned to eliminate duplicates Z: 142 98.862 2.386 0.923 0.586 0.957 0.667 CB 1.746 142 residues pruned to eliminate duplicates Z: 41 50.961 2.380 0.655 0.678 0.975 0.700 CB 1.782 41 residues pruned to eliminate duplicates Z: 106 97.994 2.412 0.985 0.669 0.962 0.810 CB 1.776 106 residues pruned to eliminate duplicates Z: 84 74.067 2.347 0.830 0.631 0.952 0.699 CB 1.758 84 residues pruned to eliminate duplicates Z: 43 52.481 2.332 0.691 0.664 0.976 0.810 CB 1.807 43 residues pruned to eliminate duplicates Z: 98 84.551 2.372 0.870 0.625 0.938 0.670 CB 1.835 98 residues pruned to eliminate duplicates Z: 129 91.033 2.369 0.892 0.591 0.938 0.672 CB 1.755 129 residues pruned to eliminate duplicates Z: 43 51.272 2.320 0.686 0.648 0.976 0.714 CB 1.806 43 residues pruned to eliminate duplicates Z: 107 99.097 2.405 0.954 0.667 0.981 0.764 CB 1.789 107 residues pruned to eliminate duplicates Z: 42 55.273 2.359 0.710 0.674 0.976 0.732 CB 1.869 42 residues pruned to eliminate duplicates Z: 43 54.211 2.347 0.671 0.654 1.000 0.667 CB 1.847 43 residues pruned to eliminate duplicates Z: 41 53.557 2.378 0.728 0.654 0.975 0.750 CB 1.831 41 residues pruned to eliminate duplicates Z: 41 54.988 2.359 0.721 0.658 0.975 0.775 CB 1.897 41 residues pruned to eliminate duplicates Z: 140 100.464 2.343 0.891 0.646 0.950 0.712 CB 1.767 140 residues pruned to eliminate duplicates Z: 107 91.635 2.409 0.893 0.631 0.962 0.726 CB 1.794 107 residues pruned to eliminate duplicates Z: 109 88.650 2.367 0.866 0.627 0.954 0.731 CB 1.797 109 residues pruned to eliminate duplicates Z: 98 85.327 2.374 0.933 0.611 0.918 0.649 CB 1.852 98 residues pruned to eliminate duplicates Z: 85 79.009 2.390 0.747 0.647 0.964 0.786 CB 1.866 85 residues pruned to eliminate duplicates Z: 56 61.549 2.384 0.705 0.606 1.000 0.764 CB 1.846 56 residues pruned to eliminate duplicates Z: 42 55.598 2.341 0.745 0.656 0.976 0.780 CB 1.885 42 residues pruned to eliminate duplicates Z: 42 53.649 2.337 0.720 0.671 0.976 0.732 CB 1.824 42 residues pruned to eliminate duplicates Z: 45 47.468 2.268 0.641 0.645 0.955 0.750 CB 1.759 45 residues pruned to eliminate duplicates Z: 107 93.460 2.388 0.900 0.632 0.972 0.726 CB 1.819 107 residues pruned to eliminate duplicates Z: 42 47.971 2.295 0.751 0.630 0.927 0.756 CB 1.780 42 residues pruned to eliminate duplicates Z: 57 62.451 2.400 0.742 0.616 0.964 0.696 CB 1.856 57 residues pruned to eliminate duplicates Z: 129 91.882 2.369 0.900 0.567 0.961 0.625 CB 1.760 129 residues pruned to eliminate duplicates Z: 40 58.132 2.429 0.735 0.663 0.974 0.667 CB 1.949 40 residues pruned to eliminate duplicates Z: 44 55.327 2.379 0.628 0.670 0.977 0.791 CB 1.907 44 residues pruned to eliminate duplicates Z: 38 53.364 2.294 0.743 0.689 1.000 0.838 CB 1.845 38 residues pruned to eliminate duplicates Z: 41 53.659 2.391 0.687 0.654 0.950 0.775 CB 1.919 41 residues pruned to eliminate duplicates Z: 79 78.496 2.383 0.941 0.611 1.000 0.718 CB 1.729 79 residues pruned to eliminate duplicates Z: 60 53.865 2.320 0.660 0.559 0.949 0.729 CB 1.812 60 residues pruned to eliminate duplicates Z: 42 55.774 2.327 0.722 0.668 1.000 0.683 CB 1.861 42 residues pruned to eliminate duplicates Z: 41 56.179 2.382 0.725 0.704 0.975 0.825 CB 1.841 41 residues pruned to eliminate duplicates Z: 40 56.101 2.402 0.743 0.688 0.974 0.795 CB 1.853 40 residues pruned to eliminate duplicates Z: 51 54.209 2.311 0.658 0.629 0.960 0.780 CB 1.846 41 residues pruned to eliminate duplicates Z: 6 7.799 1.745 1.163 0.426 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 42 57.880 2.333 0.888 0.648 1.000 0.829 CB 1.788 42 residues pruned to eliminate duplicates Z: 50 48.860 2.302 0.776 0.541 0.959 0.714 CB 1.710 50 residues pruned to eliminate duplicates Z: 55 55.737 2.269 0.938 0.566 0.944 0.741 CB 1.712 55 residues pruned to eliminate duplicates Z: 53 48.028 2.271 0.717 0.566 0.981 0.769 CB 1.633 53 residues pruned to eliminate duplicates Z: 50 52.462 2.356 0.709 0.606 0.980 0.755 CB 1.718 50 residues pruned to eliminate duplicates Z: 37 47.130 2.331 0.639 0.681 0.972 0.778 CB 1.790 37 residues pruned to eliminate duplicates Z: 37 47.399 2.324 0.688 0.674 0.944 0.778 CB 1.816 37 residues pruned to eliminate duplicates Z: 54 50.638 2.268 0.847 0.570 0.925 0.774 CB 1.680 54 residues pruned to eliminate duplicates Z: 50 58.816 2.345 0.869 0.639 0.959 0.755 CB 1.755 50 residues pruned to eliminate duplicates Z: 83 75.219 2.347 0.828 0.631 0.976 0.732 CB 1.754 92 residues pruned to eliminate duplicates Z: 16 40.371 2.303 0.825 0.875 1.000 0.867 CA 1.804 16 residues pruned to eliminate duplicates Z: 146 113.656 2.405 0.943 0.658 0.972 0.793 CB 1.794 146 residues pruned to eliminate duplicates Z: 41 55.735 2.384 0.882 0.622 0.975 0.650 CB 1.795 41 residues pruned to eliminate duplicates Z: 42 53.431 2.327 0.948 0.621 0.951 0.732 CB 1.727 42 residues pruned to eliminate duplicates Z: 42 58.940 2.352 0.935 0.629 0.976 0.683 CB 1.836 42 residues pruned to eliminate duplicates Z: 52 60.898 2.324 0.992 0.609 0.980 0.667 CB 1.695 52 residues pruned to eliminate duplicates Z: 53 53.930 2.285 0.790 0.580 1.000 0.692 CB 1.693 53 residues pruned to eliminate duplicates Z: 94 74.965 2.301 0.839 0.588 0.978 0.753 CB 1.724 94 residues pruned to eliminate duplicates Z: 44 57.715 2.318 0.946 0.635 0.977 0.744 CB 1.759 44 residues pruned to eliminate duplicates Z: 37 53.778 2.333 0.825 0.679 0.972 0.778 CB 1.836 37 residues pruned to eliminate duplicates Z: 44 62.371 2.390 0.938 0.659 0.977 0.837 CB 1.815 44 residues pruned to eliminate duplicates Z: 42 58.815 2.380 0.853 0.638 1.000 0.683 CB 1.830 42 residues pruned to eliminate duplicates Z: 43 57.674 2.324 1.013 0.623 0.976 0.690 CB 1.735 43 residues pruned to eliminate duplicates Z: 37 52.580 2.307 0.878 0.658 0.972 0.750 CB 1.796 37 residues pruned to eliminate duplicates Z: 37 53.839 2.357 0.931 0.667 0.944 0.667 CB 1.788 37 residues pruned to eliminate duplicates Z: 42 57.400 2.355 0.987 0.638 0.951 0.780 CB 1.771 42 residues pruned to eliminate duplicates Z: 54 56.653 2.283 0.960 0.577 0.962 0.717 CB 1.679 54 residues pruned to eliminate duplicates Z: 42 53.410 2.323 0.851 0.656 0.976 0.780 CB 1.721 42 residues pruned to eliminate duplicates Z: 54 50.625 2.251 0.783 0.570 0.981 0.774 CB 1.651 54 residues pruned to eliminate duplicates Z: 83 72.747 2.338 0.684 0.618 0.988 0.732 CB 1.847 83 residues pruned to eliminate duplicates Z: 42 55.644 2.344 0.936 0.638 0.951 0.707 CB 1.769 42 residues pruned to eliminate duplicates Z: 42 51.337 2.348 0.897 0.613 0.927 0.707 CB 1.745 42 residues pruned to eliminate duplicates Z: 82 74.122 2.361 0.719 0.638 0.988 0.741 CB 1.805 82 residues pruned to eliminate duplicates Z: 52 52.827 2.319 0.856 0.597 0.941 0.725 CB 1.665 52 residues pruned to eliminate duplicates Z: 53 54.313 2.282 0.785 0.604 1.000 0.731 CB 1.675 53 residues pruned to eliminate duplicates Z: 52 59.247 2.305 0.921 0.635 0.980 0.804 CB 1.684 52 residues pruned to eliminate duplicates Z: 43 49.814 2.291 0.845 0.623 0.952 0.738 CB 1.701 43 residues pruned to eliminate duplicates Z: 57 54.509 2.260 0.881 0.567 0.964 0.732 CB 1.665 57 residues pruned to eliminate duplicates 311 residues left after pruning, divided into chains as follows: A: 311 CC for partial structure against native data = 44.37 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.495, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.561, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.668, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.671, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.681, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.681, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.681, Connect. = 0.827 for dens.mod. cycle 10 TimeTaking 269.5