++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:43:02 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-hancs/2opl-1.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.ins Phases from ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.phi Native data from ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.hkl Listing output to ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.lst Phases output to ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.phs Poly-Ala trace output to ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 60684 Reflections read from file ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.phi 60684 Reflections read from file ./2opl-1.5-parrot-hancs/2opl-1.5-parrot-hancs.hkl 60684 Unique data, highest resolution = 1.500 Angstroms Anisotropic scaling: intensities multiplied by -0.000193h^2 +0.000014k^2 +0.000059l^2 +0.000000kl +0.000000hl +0.000000hk 45 Reflections with d > 1.700 and 0 in range 1.700 > d > 1.500 added Density sharpening factor set to 1.50 Fourier grid = 128 x 256 x 48 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.703 = 0.300, Contrast = 0.404, Connect. = 0.780 for dens.mod. cycle 1 = 0.300, Contrast = 0.490, Connect. = 0.797 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.609, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 0.623, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.631, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.637, Connect. = 0.827 for dens.mod. cycle 7 = 0.300, Contrast = 0.641, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.645, Connect. = 0.828 for dens.mod. cycle 9 = 0.300, Contrast = 0.647, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2507 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 519 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 62.837 2.396 1.156 0.933 0.958 0.875 CB 1.808 B: 9 38.307 2.550 1.003 0.886 1.000 1.000 CA 1.914 C: 25 67.044 2.413 1.141 0.950 1.000 0.875 CB 1.828 25 residues pruned to eliminate duplicates D: 22 73.125 2.517 1.276 0.954 1.000 0.905 CB 1.917 E: 25 72.865 2.510 1.136 0.950 1.000 0.917 CB 1.913 22 residues pruned to eliminate duplicates F: 25 67.840 2.427 1.156 0.946 1.000 0.917 CB 1.831 25 residues pruned to eliminate duplicates G: 12 25.691 2.280 0.604 0.885 0.909 0.909 CB 1.682 12 residues pruned to eliminate duplicates H: 24 72.648 2.423 1.321 0.952 1.000 0.870 CB 1.855 24 residues pruned to eliminate duplicates I: 25 79.515 2.511 1.318 0.954 1.000 0.917 C 1.917 25 residues pruned to eliminate duplicates J: 25 73.502 2.420 1.349 0.946 1.000 0.917 CB 1.826 25 residues pruned to eliminate duplicates K: 9 37.430 2.450 1.187 0.897 1.000 1.000 CB 1.768 9 residues pruned to eliminate duplicates L: 11 28.526 2.399 1.312 0.503 0.900 0.600 C 1.802 M: 27 57.128 2.301 1.045 0.928 1.000 0.923 CB 1.667 27 residues pruned to eliminate duplicates N: 53 56.507 2.293 0.924 0.591 0.981 0.731 CB 1.660 9 residues pruned to eliminate duplicates O: 25 65.476 2.402 1.087 0.944 1.000 0.917 CB 1.847 25 residues pruned to eliminate duplicates P: 101 75.959 2.282 1.173 0.582 0.910 0.620 CB 1.556 28 residues pruned to eliminate duplicates Q: 18 19.976 2.163 0.775 0.461 0.882 0.706 CB 1.489 18 residues pruned to eliminate duplicates R: 38 64.575 2.325 1.219 0.695 1.000 0.676 CB 1.721 S: 25 75.181 2.511 1.149 0.958 1.000 1.000 C 1.951 25 residues pruned to eliminate duplicates T: 27 57.049 2.396 0.942 0.930 0.962 0.923 CB 1.749 27 residues pruned to eliminate duplicates U: 25 68.792 2.427 1.132 0.936 1.000 0.958 CB 1.890 25 residues pruned to eliminate duplicates V: 10 21.443 2.416 1.265 0.524 0.778 0.667 CB 1.639 10 residues pruned to eliminate duplicates W: 27 63.948 2.383 1.093 0.942 1.000 0.885 CB 1.744 27 residues pruned to eliminate duplicates X: 27 50.954 2.283 0.926 0.924 1.000 0.923 CB 1.595 27 residues pruned to eliminate duplicates Y: 27 65.019 2.415 0.991 0.945 1.000 0.923 CB 1.835 25 residues pruned to eliminate duplicates Z: 25 67.173 2.411 1.146 0.948 1.000 0.958 C 1.831 25 residues pruned to eliminate duplicates Z: 41 31.564 2.180 0.940 0.410 0.900 0.500 CB 1.441 41 residues pruned to eliminate duplicates Z: 25 65.449 2.413 1.120 0.932 1.000 0.917 CB 1.823 25 residues pruned to eliminate duplicates Z: 25 70.600 2.450 1.184 0.952 1.000 0.875 CB 1.855 25 residues pruned to eliminate duplicates Z: 25 63.886 2.414 1.038 0.924 1.000 0.917 CB 1.861 25 residues pruned to eliminate duplicates Z: 21 27.968 2.291 0.940 0.439 0.850 0.400 CB 1.763 21 residues pruned to eliminate duplicates Z: 10 31.977 2.317 0.804 0.897 1.000 0.889 C 1.825 10 residues pruned to eliminate duplicates Z: 9 28.620 2.456 0.653 0.893 1.000 1.000 CA 1.790 Z: 125 90.361 2.331 1.036 0.621 0.927 0.702 CB 1.644 98 residues pruned to eliminate duplicates Z: 10 29.562 2.308 0.919 0.829 1.000 0.778 CA 1.674 10 residues pruned to eliminate duplicates Z: 25 73.475 2.509 1.148 0.955 1.000 0.917 CB 1.913 25 residues pruned to eliminate duplicates Z: 105 99.921 2.365 1.149 0.673 0.990 0.779 CB 1.660 107 residues pruned to eliminate duplicates Z: 25 69.313 2.421 1.189 0.932 1.000 0.958 CB 1.865 25 residues pruned to eliminate duplicates Z: 71 66.049 2.306 1.021 0.625 0.971 0.743 CB 1.550 69 residues pruned to eliminate duplicates Z: 27 51.407 2.277 0.949 0.931 0.962 0.846 CB 1.651 27 residues pruned to eliminate duplicates Z: 8 14.400 2.357 0.736 0.465 0.857 0.571 CA 1.608 8 residues pruned to eliminate duplicates Z: 112 101.106 2.359 1.179 0.646 0.982 0.766 CB 1.658 113 residues pruned to eliminate duplicates Z: 25 60.292 2.403 0.881 0.950 1.000 0.917 C 1.878 25 residues pruned to eliminate duplicates Z: 18 28.387 2.385 1.305 0.458 0.882 0.588 CB 1.482 Z: 25 63.089 2.483 0.939 0.940 1.000 0.917 CB 1.857 25 residues pruned to eliminate duplicates Z: 9 33.008 2.377 0.978 0.886 1.000 1.000 CA 1.791 9 residues pruned to eliminate duplicates Z: 16 47.209 2.356 1.135 0.891 1.000 0.867 CB 1.742 16 residues pruned to eliminate duplicates Z: 22 26.317 2.165 0.941 0.482 0.810 0.619 CB 1.719 4 residues pruned to eliminate duplicates Z: 25 61.885 2.469 0.910 0.948 1.000 0.958 CB 1.850 25 residues pruned to eliminate duplicates Z: 23 72.792 2.498 1.318 0.959 1.000 0.818 CB 1.838 23 residues pruned to eliminate duplicates Z: 23 35.279 2.276 1.485 0.383 0.909 0.636 CB 1.657 23 residues pruned to eliminate duplicates Z: 53 55.276 2.291 0.942 0.584 0.981 0.750 CB 1.620 53 residues pruned to eliminate duplicates Z: 33 60.134 2.317 1.195 0.744 0.969 0.750 CB 1.735 33 residues pruned to eliminate duplicates Z: 16 26.302 2.037 0.503 0.888 1.000 1.000 CA 1.599 16 residues pruned to eliminate duplicates Z: 25 76.593 2.516 1.256 0.953 1.000 0.875 CB 1.895 25 residues pruned to eliminate duplicates Z: 71 72.255 2.332 1.161 0.616 0.943 0.729 CB 1.628 50 residues pruned to eliminate duplicates Z: 11 26.234 2.213 0.698 0.826 1.000 0.800 CA 1.664 11 residues pruned to eliminate duplicates Z: 26 74.753 2.480 1.221 0.960 1.000 0.960 CB 1.859 26 residues pruned to eliminate duplicates Z: 11 22.495 2.356 1.252 0.493 0.800 0.700 CB 1.688 11 residues pruned to eliminate duplicates Z: 16 32.222 2.318 0.727 0.850 0.933 0.867 CB 1.649 16 residues pruned to eliminate duplicates Z: 11 23.359 2.400 1.401 0.498 0.800 0.600 CB 1.606 11 residues pruned to eliminate duplicates Z: 90 79.459 2.329 1.190 0.595 0.933 0.674 CB 1.617 90 residues pruned to eliminate duplicates Z: 52 61.845 2.326 1.038 0.621 0.961 0.725 CB 1.697 53 residues pruned to eliminate duplicates Z: 25 80.430 2.522 1.278 0.954 1.000 0.958 CB 1.965 25 residues pruned to eliminate duplicates Z: 27 67.113 2.408 1.166 0.944 0.962 0.846 CB 1.817 27 residues pruned to eliminate duplicates Z: 13 17.916 2.021 1.344 0.516 0.917 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 15 31.851 2.174 0.495 0.916 1.000 0.929 C 1.850 15 residues pruned to eliminate duplicates Z: 16 36.516 2.276 0.800 0.866 1.000 0.867 CB 1.685 16 residues pruned to eliminate duplicates Z: 17 24.857 2.149 0.914 0.637 0.938 0.625 CB 1.417 Z: 24 76.823 2.408 1.488 0.953 1.000 0.957 C 1.839 24 residues pruned to eliminate duplicates Z: 17 33.727 2.252 0.691 0.920 1.000 0.938 CB 1.559 17 residues pruned to eliminate duplicates Z: 38 61.900 2.313 1.277 0.674 0.973 0.784 CB 1.692 38 residues pruned to eliminate duplicates Z: 52 54.343 2.293 0.998 0.556 0.961 0.706 CB 1.637 52 residues pruned to eliminate duplicates Z: 27 61.400 2.312 1.099 0.936 1.000 0.846 CB 1.727 27 residues pruned to eliminate duplicates Z: 81 82.366 2.324 1.173 0.672 0.925 0.700 CB 1.682 119 residues pruned to eliminate duplicates Z: 38 52.522 2.319 1.131 0.636 0.919 0.595 CB 1.673 Z: 12 31.870 2.232 1.520 0.579 0.909 0.545 CB 1.743 10 residues pruned to eliminate duplicates Z: 16 35.633 2.126 0.735 0.923 1.000 0.933 CA 1.753 16 residues pruned to eliminate duplicates Z: 59 54.773 2.243 1.188 0.564 0.879 0.707 CB 1.567 60 residues pruned to eliminate duplicates Z: 15 22.204 2.083 0.980 0.509 1.000 0.714 CB 1.426 14 residues pruned to eliminate duplicates Z: 16 38.273 2.294 1.008 0.856 0.933 0.933 CB 1.696 16 residues pruned to eliminate duplicates Z: 15 33.652 2.278 0.700 0.930 1.000 0.929 CB 1.625 15 residues pruned to eliminate duplicates Z: 74 65.399 2.294 0.991 0.644 0.932 0.685 CB 1.573 74 residues pruned to eliminate duplicates Z: 16 46.388 2.372 1.070 0.911 1.000 0.867 CB 1.728 16 residues pruned to eliminate duplicates Z: 26 52.891 2.415 0.737 0.941 1.000 0.920 CB 1.750 26 residues pruned to eliminate duplicates Z: 27 54.076 2.364 1.020 0.935 0.962 0.808 CB 1.609 27 residues pruned to eliminate duplicates Z: 124 94.155 2.350 1.043 0.622 0.951 0.732 CB 1.657 124 residues pruned to eliminate duplicates Z: 16 45.816 2.331 1.111 0.917 1.000 0.867 CB 1.697 16 residues pruned to eliminate duplicates Z: 15 46.169 2.355 1.072 0.934 1.000 0.929 CB 1.763 15 residues pruned to eliminate duplicates Z: 42 59.251 2.289 1.123 0.657 0.976 0.732 CB 1.687 42 residues pruned to eliminate duplicates Z: 37 56.225 2.363 1.096 0.677 0.944 0.750 CB 1.703 38 residues pruned to eliminate duplicates Z: 17 25.970 2.023 0.367 0.909 1.000 0.812 C 1.666 17 residues pruned to eliminate duplicates Z: 9 41.180 2.468 1.114 0.923 1.000 1.000 CB 1.961 9 residues pruned to eliminate duplicates Z: 15 35.972 2.339 0.860 0.920 0.929 0.929 CB 1.676 15 residues pruned to eliminate duplicates Z: 28 58.996 2.254 1.087 0.917 1.000 0.852 CB 1.703 28 residues pruned to eliminate duplicates Z: 16 28.952 2.171 0.650 0.886 0.933 0.733 CB 1.614 16 residues pruned to eliminate duplicates Z: 30 57.759 2.189 1.276 0.892 0.966 0.724 CB 1.603 30 residues pruned to eliminate duplicates Z: 25 71.478 2.408 1.330 0.936 1.000 0.917 C 1.811 25 residues pruned to eliminate duplicates Z: 125 97.842 2.354 1.056 0.630 0.968 0.726 CB 1.660 125 residues pruned to eliminate duplicates Z: 25 65.225 2.396 1.118 0.935 1.000 0.917 C 1.828 25 residues pruned to eliminate duplicates Z: 27 64.775 2.411 1.124 0.931 0.962 0.923 CB 1.804 27 residues pruned to eliminate duplicates Z: 10 32.781 2.257 1.068 0.881 1.000 1.000 C 1.695 10 residues pruned to eliminate duplicates Z: 39 67.443 2.460 1.018 0.794 0.947 0.921 CB 1.798 39 residues pruned to eliminate duplicates Z: 25 79.025 2.520 1.316 0.953 1.000 0.875 C 1.903 25 residues pruned to eliminate duplicates Z: 25 64.795 2.507 0.932 0.949 1.000 0.958 CB 1.884 25 residues pruned to eliminate duplicates Z: 33 60.879 2.386 1.240 0.705 0.938 0.781 CB 1.782 33 residues pruned to eliminate duplicates Z: 6 18.522 2.265 0.605 0.826 1.000 0.600 CA 1.718 6 residues pruned to eliminate duplicates Z: 27 73.220 2.400 1.319 0.943 1.000 0.808 CB 1.788 27 residues pruned to eliminate duplicates Z: 77 85.288 2.317 1.068 0.712 0.961 0.750 CB 1.754 77 residues pruned to eliminate duplicates Z: 15 47.482 2.366 1.186 0.928 1.000 0.786 CB 1.718 15 residues pruned to eliminate duplicates Z: 25 76.003 2.432 1.360 0.943 1.000 0.833 C 1.873 25 residues pruned to eliminate duplicates Z: 52 69.840 2.299 1.283 0.735 0.961 0.745 CB 1.570 52 residues pruned to eliminate duplicates Z: 16 30.267 2.047 0.593 0.931 1.000 0.800 CA 1.675 16 residues pruned to eliminate duplicates Z: 26 73.175 2.453 1.273 0.956 1.000 1.000 CB 1.804 26 residues pruned to eliminate duplicates Z: 25 64.334 2.404 1.064 0.942 1.000 0.958 C 1.835 25 residues pruned to eliminate duplicates Z: 144 95.983 2.328 1.054 0.583 0.951 0.706 CB 1.630 144 residues pruned to eliminate duplicates Z: 26 61.459 2.383 1.082 0.937 0.960 0.840 CB 1.795 26 residues pruned to eliminate duplicates Z: 10 23.643 2.440 1.377 0.571 0.778 0.667 CB 1.631 10 residues pruned to eliminate duplicates Z: 26 59.068 2.432 0.972 0.944 0.960 0.880 CB 1.777 26 residues pruned to eliminate duplicates Z: 15 31.491 2.282 0.597 0.911 1.000 0.857 CB 1.636 15 residues pruned to eliminate duplicates Z: 9 26.986 2.210 1.290 0.877 0.875 0.750 CB 1.565 9 residues pruned to eliminate duplicates Z: 26 25.909 2.131 0.925 0.438 0.920 0.520 CB 1.463 26 residues pruned to eliminate duplicates Z: 57 57.468 2.306 0.864 0.603 0.982 0.768 CB 1.648 57 residues pruned to eliminate duplicates Z: 11 25.257 2.036 1.612 0.612 0.900 0.700 CB 1.500 11 residues pruned to eliminate duplicates Z: 9 30.956 2.403 0.820 0.908 1.000 1.000 CB 1.777 9 residues pruned to eliminate duplicates Z: 16 29.627 2.240 0.614 0.866 1.000 0.800 CB 1.548 16 residues pruned to eliminate duplicates Z: 17 25.185 2.076 0.932 0.658 1.000 0.562 CB 1.356 17 residues pruned to eliminate duplicates Z: 124 96.312 2.332 1.154 0.619 0.935 0.740 CB 1.652 124 residues pruned to eliminate duplicates Z: 79 73.267 2.304 1.131 0.583 0.923 0.679 CB 1.690 81 residues pruned to eliminate duplicates Z: 16 37.756 2.101 0.972 0.945 1.000 1.000 C 1.629 16 residues pruned to eliminate duplicates Z: 124 106.136 2.368 1.171 0.651 0.967 0.764 CB 1.672 124 residues pruned to eliminate duplicates Z: 27 58.358 2.392 0.895 0.934 1.000 0.962 CB 1.761 27 residues pruned to eliminate duplicates Z: 16 34.459 2.237 0.752 0.899 1.000 0.800 CB 1.623 16 residues pruned to eliminate duplicates Z: 17 27.654 2.040 0.551 0.855 1.000 0.812 CB 1.613 17 residues pruned to eliminate duplicates Z: 26 71.562 2.449 1.219 0.961 1.000 0.880 CB 1.803 26 residues pruned to eliminate duplicates Z: 81 69.447 2.277 0.929 0.616 0.938 0.725 CB 1.690 134 residues pruned to eliminate duplicates Z: 17 44.274 2.259 1.218 0.875 1.000 0.812 CB 1.607 17 residues pruned to eliminate duplicates Z: 125 93.091 2.349 1.029 0.630 0.944 0.734 CB 1.646 125 residues pruned to eliminate duplicates Z: 9 25.181 2.155 1.213 0.869 0.875 0.875 CB 1.558 9 residues pruned to eliminate duplicates Z: 15 39.373 2.244 1.003 0.905 1.000 0.714 CB 1.667 Z: 13 32.676 2.433 1.054 0.568 0.917 0.750 C 1.929 13 residues pruned to eliminate duplicates Z: 9 34.723 2.303 1.604 0.900 0.875 0.750 CB 1.672 Z: 6 9.953 2.266 0.125 0.799 0.800 0.600 CB 1.681 6 residues pruned to eliminate duplicates Z: 68 67.982 2.305 1.068 0.630 0.925 0.627 CB 1.665 68 residues pruned to eliminate duplicates Z: 131 92.175 2.311 1.074 0.608 0.931 0.677 CB 1.635 131 residues pruned to eliminate duplicates Z: 15 39.927 2.266 0.961 0.931 1.000 0.929 CB 1.678 15 residues pruned to eliminate duplicates Z: 23 36.259 2.122 0.731 0.826 0.955 0.636 CB 1.662 23 residues pruned to eliminate duplicates Z: 14 32.803 2.231 0.755 0.921 1.000 0.923 CB 1.636 14 residues pruned to eliminate duplicates Z: 25 80.303 2.512 1.297 0.956 1.000 0.917 CB 1.951 25 residues pruned to eliminate duplicates Z: 51 62.842 2.324 1.066 0.668 0.920 0.680 CB 1.722 51 residues pruned to eliminate duplicates Z: 70 70.969 2.315 1.098 0.636 0.942 0.797 CB 1.645 70 residues pruned to eliminate duplicates Z: 25 73.195 2.402 1.418 0.946 1.000 0.958 C 1.779 25 residues pruned to eliminate duplicates Z: 15 38.568 2.123 0.954 0.947 1.000 0.857 C 1.718 15 residues pruned to eliminate duplicates Z: 28 68.561 2.332 1.272 0.930 1.000 0.815 CB 1.742 28 residues pruned to eliminate duplicates Z: 30 19.953 1.702 0.679 0.675 0.966 0.517 CB 1.142 16 residues pruned to eliminate duplicates Z: 15 27.058 2.118 0.384 0.938 1.000 0.786 C 1.716 15 residues pruned to eliminate duplicates Z: 12 17.079 1.816 0.880 0.539 1.000 0.636 CB 1.451 Z: 27 57.630 2.354 1.059 0.931 0.962 0.923 CB 1.695 27 residues pruned to eliminate duplicates Z: 13 23.404 2.068 0.613 0.867 0.917 0.750 CB 1.617 13 residues pruned to eliminate duplicates Z: 8 11.790 1.763 0.755 0.887 1.000 0.714 CB 1.038 8 residues pruned to eliminate duplicates Z: 15 38.468 2.154 0.907 0.953 1.000 1.000 C 1.723 15 residues pruned to eliminate duplicates Z: 51 55.775 2.324 0.929 0.615 0.980 0.820 CB 1.611 34 residues pruned to eliminate duplicates Z: 50 62.874 2.320 0.937 0.650 0.980 0.735 CB 1.774 50 residues pruned to eliminate duplicates Z: 11 19.854 2.307 1.112 0.478 0.800 0.600 CB 1.647 11 residues pruned to eliminate duplicates Z: 123 90.572 2.319 1.055 0.605 0.943 0.672 CB 1.651 123 residues pruned to eliminate duplicates Z: 138 92.075 2.296 1.088 0.607 0.942 0.672 CB 1.573 138 residues pruned to eliminate duplicates Z: 54 63.438 2.249 1.272 0.716 0.943 0.755 CB 1.487 54 residues pruned to eliminate duplicates Z: 41 65.143 2.338 1.262 0.660 0.975 0.775 CB 1.722 42 residues pruned to eliminate duplicates Z: 32 26.323 1.730 0.969 0.723 0.968 0.774 CB 1.173 33 residues pruned to eliminate duplicates Z: 7 5.616 1.648 0.959 0.507 0.667 0.500 N 1.057 7 residues pruned to eliminate duplicates Z: 40 52.186 2.283 1.079 0.645 0.949 0.795 CB 1.621 40 residues pruned to eliminate duplicates Z: 16 27.385 2.220 0.509 0.866 0.933 0.933 CB 1.656 16 residues pruned to eliminate duplicates Z: 120 90.730 2.321 1.092 0.607 0.958 0.689 CB 1.615 120 residues pruned to eliminate duplicates Z: 34 22.878 1.720 0.772 0.662 0.970 0.697 CB 1.160 30 residues pruned to eliminate duplicates Z: 16 42.126 2.331 1.014 0.879 1.000 0.867 CB 1.680 16 residues pruned to eliminate duplicates Z: 9 36.426 2.483 0.886 0.904 1.000 1.000 CB 1.959 9 residues pruned to eliminate duplicates Z: 72 64.776 2.323 1.024 0.590 0.958 0.690 CB 1.566 72 residues pruned to eliminate duplicates Z: 15 28.241 2.127 0.448 0.885 1.000 1.000 C 1.769 15 residues pruned to eliminate duplicates Z: 10 19.048 1.994 1.031 0.582 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 125 97.123 2.345 1.091 0.625 0.952 0.694 CB 1.661 125 residues pruned to eliminate duplicates Z: 58 58.923 2.269 0.912 0.636 0.965 0.807 CB 1.642 58 residues pruned to eliminate duplicates Z: 33 25.870 1.730 0.820 0.750 0.969 0.750 CB 1.199 35 residues pruned to eliminate duplicates Z: 136 93.876 2.340 1.057 0.618 0.926 0.719 CB 1.622 136 residues pruned to eliminate duplicates Z: 42 55.998 2.269 0.995 0.661 1.000 0.805 CB 1.665 42 residues pruned to eliminate duplicates Z: 8 3.607 1.781 0.251 0.264 0.571 0.286 CA 1.401 8 residues pruned to eliminate duplicates Z: 16 30.482 2.231 0.585 0.890 1.000 0.867 CB 1.601 16 residues pruned to eliminate duplicates Z: 97 80.464 2.277 1.075 0.645 0.948 0.677 CB 1.601 97 residues pruned to eliminate duplicates Z: 13 23.159 2.113 0.891 0.676 1.000 0.583 CB 1.423 13 residues pruned to eliminate duplicates Z: 39 45.885 2.276 0.858 0.648 0.947 0.632 CB 1.618 39 residues pruned to eliminate duplicates Z: 50 60.375 2.341 1.088 0.667 0.939 0.694 CB 1.611 50 residues pruned to eliminate duplicates Z: 27 64.124 2.318 1.158 0.954 1.000 0.808 CB 1.729 27 residues pruned to eliminate duplicates Z: 11 33.891 2.295 1.122 0.867 0.900 0.700 CA 1.788 11 residues pruned to eliminate duplicates Z: 17 39.623 2.160 1.139 0.916 1.000 0.750 CB 1.514 17 residues pruned to eliminate duplicates Z: 16 28.792 2.232 0.659 0.840 0.933 0.933 CB 1.605 16 residues pruned to eliminate duplicates Z: 41 55.552 2.306 1.115 0.659 0.950 0.700 CB 1.636 41 residues pruned to eliminate duplicates Z: 109 92.858 2.341 1.087 0.663 0.944 0.713 CB 1.665 109 residues pruned to eliminate duplicates Z: 99 76.720 2.253 1.026 0.654 0.929 0.684 CB 1.585 99 residues pruned to eliminate duplicates Z: 42 62.318 2.347 1.066 0.676 0.976 0.756 CB 1.750 42 residues pruned to eliminate duplicates Z: 16 30.929 2.049 0.611 0.921 1.000 0.933 CB 1.702 16 residues pruned to eliminate duplicates Z: 61 60.903 2.282 0.982 0.665 0.933 0.683 CB 1.599 61 residues pruned to eliminate duplicates Z: 36 41.643 2.222 0.928 0.592 0.943 0.686 CB 1.596 36 residues pruned to eliminate duplicates Z: 20 38.584 2.284 0.864 0.771 0.947 0.842 CB 1.726 20 residues pruned to eliminate duplicates Z: 11 16.700 2.230 0.784 0.454 0.900 0.600 CB 1.545 11 residues pruned to eliminate duplicates Z: 12 27.119 2.054 1.119 0.831 1.000 0.727 CB 1.412 12 residues pruned to eliminate duplicates Z: 40 47.787 2.255 0.852 0.666 0.974 0.667 CB 1.613 40 residues pruned to eliminate duplicates Z: 95 72.070 2.290 1.098 0.584 0.883 0.670 CB 1.616 95 residues pruned to eliminate duplicates Z: 10 36.396 2.402 1.032 0.882 1.000 1.000 CA 1.799 10 residues pruned to eliminate duplicates Z: 6 3.412 1.723 0.747 0.345 0.600 0.400 N 1.000 6 residues pruned to eliminate duplicates Z: 25 65.567 2.414 1.085 0.943 1.000 0.875 CB 1.843 25 residues pruned to eliminate duplicates Z: 17 28.661 2.211 0.505 0.838 1.000 0.688 CB 1.609 17 residues pruned to eliminate duplicates Z: 42 54.974 2.264 0.982 0.646 1.000 0.732 CB 1.669 41 residues pruned to eliminate duplicates Z: 16 32.123 2.148 0.966 0.707 1.000 0.667 CB 1.628 16 residues pruned to eliminate duplicates Z: 43 59.329 2.333 1.034 0.638 0.976 0.690 CB 1.736 43 residues pruned to eliminate duplicates Z: 39 59.212 2.334 1.267 0.705 0.895 0.684 CB 1.683 39 residues pruned to eliminate duplicates Z: 16 40.583 2.306 1.024 0.855 1.000 0.733 CB 1.658 16 residues pruned to eliminate duplicates Z: 33 33.593 2.223 1.162 0.450 0.938 0.656 CB 1.388 33 residues pruned to eliminate duplicates Z: 22 26.491 2.240 0.830 0.421 0.952 0.476 CB 1.607 22 residues pruned to eliminate duplicates Z: 14 25.270 2.129 1.395 0.639 0.923 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 25 19.594 2.129 0.606 0.407 0.833 0.458 CB 1.548 25 residues pruned to eliminate duplicates Z: 27 55.364 2.238 1.125 0.921 1.000 0.808 CB 1.607 27 residues pruned to eliminate duplicates Z: 27 55.186 2.283 1.038 0.902 1.000 0.654 CB 1.659 27 residues pruned to eliminate duplicates Z: 25 79.413 2.437 1.452 0.946 1.000 0.917 C 1.877 25 residues pruned to eliminate duplicates Z: 96 86.758 2.332 1.050 0.651 0.926 0.705 CB 1.747 96 residues pruned to eliminate duplicates Z: 17 34.737 2.021 0.797 0.911 1.000 0.875 C 1.696 17 residues pruned to eliminate duplicates Z: 53 60.800 2.249 1.185 0.704 0.904 0.731 CB 1.577 53 residues pruned to eliminate duplicates Z: 75 70.459 2.355 1.041 0.619 0.932 0.649 CB 1.633 75 residues pruned to eliminate duplicates Z: 25 75.722 2.438 1.414 0.943 1.000 0.833 C 1.820 25 residues pruned to eliminate duplicates Z: 41 58.331 2.324 1.007 0.681 0.975 0.825 CB 1.716 41 residues pruned to eliminate duplicates Z: 59 77.398 2.348 1.219 0.661 0.966 0.655 CB 1.741 59 residues pruned to eliminate duplicates Z: 14 27.300 2.258 0.375 0.940 1.000 0.923 CB 1.693 14 residues pruned to eliminate duplicates Z: 38 53.777 2.326 0.966 0.679 0.973 0.784 CB 1.685 38 residues pruned to eliminate duplicates Z: 7 11.894 2.070 0.618 0.675 0.833 0.500 CA 1.481 7 residues pruned to eliminate duplicates Z: 6 16.176 2.231 0.390 0.880 1.000 0.600 CB 1.689 6 residues pruned to eliminate duplicates Z: 11 20.346 2.122 1.290 0.595 0.800 0.700 CA 1.511 11 residues pruned to eliminate duplicates Z: 11 39.885 2.227 1.312 0.898 1.000 0.800 CA 1.752 11 residues pruned to eliminate duplicates Z: 68 56.386 2.279 0.890 0.584 0.910 0.687 CB 1.621 68 residues pruned to eliminate duplicates Z: 17 32.746 2.146 0.860 0.877 0.938 0.812 CB 1.589 17 residues pruned to eliminate duplicates Z: 25 57.779 2.285 1.308 0.917 0.917 0.875 CB 1.722 25 residues pruned to eliminate duplicates Z: 83 61.227 2.188 1.189 0.594 0.890 0.646 CB 1.450 83 residues pruned to eliminate duplicates Z: 24 74.197 2.415 1.428 0.940 1.000 0.870 C 1.832 24 residues pruned to eliminate duplicates Z: 87 66.806 2.294 1.059 0.537 0.907 0.605 CB 1.622 87 residues pruned to eliminate duplicates Z: 76 66.094 2.240 1.112 0.622 0.933 0.653 CB 1.541 76 residues pruned to eliminate duplicates Z: 125 94.102 2.317 1.044 0.614 0.960 0.734 CB 1.670 125 residues pruned to eliminate duplicates Z: 65 62.018 2.322 0.975 0.632 0.906 0.703 CB 1.648 65 residues pruned to eliminate duplicates Z: 38 56.174 2.330 1.170 0.654 0.946 0.703 CB 1.672 38 residues pruned to eliminate duplicates Z: 77 89.103 2.330 1.228 0.712 0.934 0.816 CB 1.739 77 residues pruned to eliminate duplicates Z: 53 72.165 2.288 1.239 0.737 1.000 0.846 CB 1.579 53 residues pruned to eliminate duplicates Z: 16 28.379 2.170 0.722 0.846 0.933 0.600 CB 1.561 16 residues pruned to eliminate duplicates Z: 16 26.014 2.125 0.481 0.886 1.000 0.933 CB 1.540 16 residues pruned to eliminate duplicates Z: 33 76.403 2.431 1.296 0.847 0.969 0.844 CB 1.854 33 residues pruned to eliminate duplicates Z: 27 27.281 2.226 0.791 0.445 0.885 0.577 CB 1.605 27 residues pruned to eliminate duplicates Z: 16 40.884 2.158 1.225 0.928 0.933 0.800 CB 1.650 16 residues pruned to eliminate duplicates Z: 37 22.218 1.710 0.871 0.685 0.944 0.694 CB 1.034 33 residues pruned to eliminate duplicates Z: 9 33.905 2.426 0.938 0.901 1.000 1.000 CA 1.820 9 residues pruned to eliminate duplicates Z: 6 13.875 2.293 0.325 0.772 1.000 0.600 CB 1.605 6 residues pruned to eliminate duplicates Z: 66 71.515 2.326 1.081 0.633 0.938 0.708 CB 1.723 66 residues pruned to eliminate duplicates Z: 41 59.585 2.330 1.001 0.699 0.950 0.825 CB 1.774 42 residues pruned to eliminate duplicates Z: 23 29.498 2.399 1.001 0.422 0.864 0.364 CB 1.645 23 residues pruned to eliminate duplicates Z: 38 50.030 2.324 0.937 0.684 0.919 0.649 CB 1.680 38 residues pruned to eliminate duplicates Z: 8 10.006 2.041 0.598 0.439 0.857 0.571 CB 1.441 8 residues pruned to eliminate duplicates Z: 84 61.751 2.192 1.019 0.586 0.904 0.651 CB 1.561 84 residues pruned to eliminate duplicates Z: 20 25.522 2.329 0.890 0.445 0.789 0.368 CB 1.782 20 residues pruned to eliminate duplicates Z: 47 60.330 2.296 0.950 0.674 0.978 0.826 CB 1.730 47 residues pruned to eliminate duplicates Z: 19 29.280 2.199 1.222 0.532 0.944 0.778 CB 1.449 19 residues pruned to eliminate duplicates Z: 86 75.866 2.289 0.946 0.644 0.988 0.788 CB 1.634 96 residues pruned to eliminate duplicates Z: 10 19.743 2.340 1.456 0.561 0.778 0.667 CB 1.388 10 residues pruned to eliminate duplicates Z: 18 38.700 2.112 1.053 0.958 1.000 1.000 CB 1.485 18 residues pruned to eliminate duplicates Z: 48 68.039 2.330 1.130 0.645 1.000 0.766 CB 1.746 48 residues pruned to eliminate duplicates Z: 22 15.917 2.182 0.739 0.416 0.714 0.524 CB 1.400 22 residues pruned to eliminate duplicates Z: 37 61.501 2.316 1.180 0.765 0.917 0.778 CB 1.751 37 residues pruned to eliminate duplicates Z: 27 19.956 2.007 0.633 0.344 0.885 0.385 CB 1.599 27 residues pruned to eliminate duplicates Z: 16 24.528 2.103 0.781 0.698 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 8 9.880 1.733 0.695 0.862 1.000 0.857 CB 0.934 8 residues pruned to eliminate duplicates Z: 59 68.799 2.276 1.252 0.651 0.966 0.741 CB 1.586 59 residues pruned to eliminate duplicates Z: 42 56.317 2.275 1.044 0.650 0.976 0.805 CB 1.687 42 residues pruned to eliminate duplicates Z: 25 76.982 2.427 1.467 0.952 1.000 0.875 C 1.807 25 residues pruned to eliminate duplicates Z: 40 51.506 2.232 1.051 0.636 0.949 0.718 CB 1.672 40 residues pruned to eliminate duplicates Z: 15 42.744 2.139 1.138 0.954 1.000 0.929 C 1.718 15 residues pruned to eliminate duplicates Z: 22 36.145 2.264 0.750 0.735 0.952 0.762 CB 1.692 22 residues pruned to eliminate duplicates Z: 18 33.170 2.060 1.064 0.886 0.941 0.824 CB 1.451 18 residues pruned to eliminate duplicates Z: 69 62.916 2.255 1.064 0.635 0.941 0.691 CB 1.534 69 residues pruned to eliminate duplicates Z: 27 61.762 2.298 1.197 0.933 1.000 0.846 CB 1.675 27 residues pruned to eliminate duplicates Z: 69 59.984 2.296 0.942 0.602 0.926 0.662 CB 1.598 69 residues pruned to eliminate duplicates Z: 14 33.539 2.355 0.689 0.905 1.000 0.923 CB 1.665 14 residues pruned to eliminate duplicates Z: 15 31.304 2.289 0.713 0.878 0.929 0.929 CB 1.667 15 residues pruned to eliminate duplicates Z: 9 2.841 1.429 0.464 0.255 0.750 0.375 N 0.847 9 residues pruned to eliminate duplicates Z: 27 62.215 2.275 1.367 0.913 0.962 0.692 CB 1.668 27 residues pruned to eliminate duplicates Z: 6 5.687 1.568 0.203 0.826 1.000 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 11 15.957 1.990 1.052 0.586 0.800 0.700 C 1.422 11 residues pruned to eliminate duplicates Z: 16 33.935 2.335 0.596 0.888 1.000 1.000 CB 1.694 16 residues pruned to eliminate duplicates Z: 134 90.411 2.286 1.085 0.585 0.955 0.639 CB 1.588 134 residues pruned to eliminate duplicates Z: 74 64.887 2.261 1.125 0.577 0.890 0.603 CB 1.647 74 residues pruned to eliminate duplicates Z: 7 6.737 1.709 0.405 0.524 0.833 0.500 CB 1.343 7 residues pruned to eliminate duplicates Z: 9 25.999 2.349 0.702 0.872 1.000 1.000 CB 1.676 9 residues pruned to eliminate duplicates Z: 10 24.959 2.098 0.866 0.858 1.000 0.889 CB 1.564 10 residues pruned to eliminate duplicates Z: 130 94.698 2.330 1.054 0.617 0.953 0.744 CB 1.636 130 residues pruned to eliminate duplicates Z: 61 71.824 2.334 1.243 0.656 0.900 0.667 CB 1.702 61 residues pruned to eliminate duplicates Z: 7 3.737 1.572 0.370 0.347 0.833 0.833 CB 1.003 7 residues pruned to eliminate duplicates Z: 20 34.194 2.285 0.724 0.622 1.000 0.684 CB 1.774 20 residues pruned to eliminate duplicates Z: 7 6.374 1.865 0.891 0.441 0.667 0.500 CA 1.176 7 residues pruned to eliminate duplicates Z: 9 11.182 1.920 0.977 0.389 0.750 0.375 CA 1.561 9 residues pruned to eliminate duplicates Z: 8 2.481 1.587 0.588 0.288 0.714 0.571 CB 0.661 Z: 35 47.482 2.268 0.971 0.691 0.912 0.676 CB 1.677 35 residues pruned to eliminate duplicates Z: 25 73.410 2.409 1.346 0.952 1.000 0.833 C 1.826 25 residues pruned to eliminate duplicates Z: 63 66.079 2.334 1.032 0.627 0.935 0.694 CB 1.679 63 residues pruned to eliminate duplicates Z: 11 15.906 2.321 0.920 0.267 0.900 0.300 CB 1.636 11 residues pruned to eliminate duplicates Z: 6 9.491 1.658 0.504 0.830 1.000 1.000 CB 1.279 6 residues pruned to eliminate duplicates Z: 16 34.413 2.287 0.607 0.901 1.000 0.933 CB 1.726 16 residues pruned to eliminate duplicates Z: 34 19.133 1.669 0.794 0.584 0.879 0.667 CB 1.168 34 residues pruned to eliminate duplicates Z: 125 96.048 2.335 1.054 0.635 0.960 0.774 CB 1.651 125 residues pruned to eliminate duplicates Z: 9 9.842 2.050 0.606 0.492 0.750 0.500 CB 1.421 9 residues pruned to eliminate duplicates Z: 42 53.295 2.259 1.063 0.636 0.976 0.732 CB 1.611 42 residues pruned to eliminate duplicates Z: 51 63.097 2.310 1.005 0.660 0.980 0.800 CB 1.695 51 residues pruned to eliminate duplicates Z: 7 12.209 2.009 0.391 0.910 1.000 1.000 CB 1.264 7 residues pruned to eliminate duplicates Z: 25 17.095 1.918 0.797 0.396 0.917 0.583 CB 1.233 25 residues pruned to eliminate duplicates Z: 37 19.855 1.742 0.584 0.671 0.917 0.750 CB 1.117 37 residues pruned to eliminate duplicates Z: 43 55.429 2.220 0.957 0.686 1.000 0.690 CB 1.660 43 residues pruned to eliminate duplicates Z: 27 67.498 2.323 1.288 0.933 1.000 0.923 CB 1.738 27 residues pruned to eliminate duplicates Z: 21 20.369 2.258 0.849 0.391 0.800 0.550 CB 1.531 21 residues pruned to eliminate duplicates Z: 36 53.315 2.300 0.951 0.713 0.943 0.829 CB 1.756 36 residues pruned to eliminate duplicates Z: 14 15.290 1.983 0.748 0.547 0.923 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 71 70.104 2.341 1.074 0.616 0.943 0.571 CB 1.640 71 residues pruned to eliminate duplicates Z: 36 60.865 2.337 1.318 0.671 0.971 0.800 CB 1.669 36 residues pruned to eliminate duplicates Z: 82 76.790 2.303 1.152 0.613 0.963 0.704 CB 1.606 82 residues pruned to eliminate duplicates Z: 12 15.789 1.945 0.991 0.577 0.909 0.545 CB 1.255 12 residues pruned to eliminate duplicates Z: 125 102.152 2.357 1.100 0.638 0.976 0.710 CB 1.669 125 residues pruned to eliminate duplicates Z: 8 21.059 2.306 0.387 0.906 1.000 1.000 CA 1.770 8 residues pruned to eliminate duplicates Z: 16 24.697 2.099 0.761 0.660 1.000 0.667 CB 1.487 16 residues pruned to eliminate duplicates Z: 134 91.935 2.307 1.033 0.590 0.955 0.722 CB 1.633 134 residues pruned to eliminate duplicates Z: 49 64.876 2.345 0.985 0.660 1.000 0.812 CB 1.735 57 residues pruned to eliminate duplicates Z: 56 69.548 2.381 1.107 0.647 0.945 0.745 CB 1.723 56 residues pruned to eliminate duplicates Z: 25 76.722 2.515 1.235 0.955 1.000 0.917 CB 1.915 25 residues pruned to eliminate duplicates Z: 8 6.846 1.860 0.685 0.356 1.000 0.571 CB 0.964 6 residues pruned to eliminate duplicates Z: 24 46.743 2.359 1.063 0.704 0.957 0.913 CB 1.740 24 residues pruned to eliminate duplicates Z: 16 42.813 2.201 1.063 0.951 1.000 0.867 CB 1.678 16 residues pruned to eliminate duplicates Z: 90 63.577 2.239 1.048 0.578 0.910 0.685 CB 1.499 90 residues pruned to eliminate duplicates Z: 12 22.361 2.227 0.698 0.634 1.000 0.727 CB 1.573 12 residues pruned to eliminate duplicates Z: 7 6.193 1.587 0.156 0.864 1.000 0.667 CB 1.011 Z: 32 45.268 2.259 0.877 0.671 0.968 0.710 CB 1.692 32 residues pruned to eliminate duplicates Z: 41 57.611 2.306 1.059 0.662 0.950 0.750 CB 1.737 41 residues pruned to eliminate duplicates Z: 15 12.988 1.998 0.816 0.353 0.929 0.714 CB 1.208 Z: 27 25.002 2.116 0.835 0.377 0.923 0.462 CB 1.561 27 residues pruned to eliminate duplicates Z: 38 53.281 2.189 1.116 0.665 1.000 0.622 CB 1.623 38 residues pruned to eliminate duplicates Z: 6 2.787 1.425 0.623 0.286 0.600 0.400 O 1.143 6 residues pruned to eliminate duplicates Z: 36 48.234 2.264 0.883 0.697 0.914 0.800 CB 1.748 36 residues pruned to eliminate duplicates Z: 41 37.696 2.260 0.786 0.529 0.875 0.600 CB 1.639 41 residues pruned to eliminate duplicates Z: 10 13.280 1.887 1.265 0.422 0.778 0.556 CB 1.444 10 residues pruned to eliminate duplicates Z: 26 70.413 2.427 1.169 0.951 1.000 0.840 CB 1.844 26 residues pruned to eliminate duplicates Z: 31 48.995 2.307 0.998 0.682 0.967 0.733 CB 1.698 31 residues pruned to eliminate duplicates Z: 78 64.611 2.262 1.090 0.644 0.883 0.740 CB 1.542 78 residues pruned to eliminate duplicates Z: 18 43.525 2.167 1.347 0.898 0.941 0.588 CB 1.578 18 residues pruned to eliminate duplicates Z: 7 8.707 2.041 0.853 0.361 0.833 0.667 CB 1.310 7 residues pruned to eliminate duplicates Z: 16 32.721 2.205 0.786 0.828 1.000 0.800 CB 1.615 16 residues pruned to eliminate duplicates Z: 34 68.459 2.414 1.182 0.810 0.939 0.848 CB 1.838 34 residues pruned to eliminate duplicates Z: 30 40.566 2.202 0.951 0.629 1.000 0.690 CB 1.553 30 residues pruned to eliminate duplicates Z: 6 3.974 1.645 0.119 0.462 1.000 0.600 CB 1.004 6 residues pruned to eliminate duplicates Z: 12 16.302 2.061 0.892 0.527 0.818 0.727 CB 1.501 12 residues pruned to eliminate duplicates Z: 51 58.271 2.322 0.881 0.655 0.980 0.660 CB 1.667 51 residues pruned to eliminate duplicates Z: 8 6.228 1.484 0.304 0.880 1.000 0.857 CB 0.881 8 residues pruned to eliminate duplicates Z: 12 13.338 2.111 0.410 0.472 0.818 0.545 CB 1.699 12 residues pruned to eliminate duplicates Z: 28 30.956 2.346 0.868 0.410 0.889 0.556 CB 1.682 28 residues pruned to eliminate duplicates Z: 37 52.091 2.288 0.989 0.661 0.972 0.722 CB 1.690 37 residues pruned to eliminate duplicates Z: 16 37.810 2.089 0.966 0.953 1.000 0.933 C 1.636 16 residues pruned to eliminate duplicates Z: 72 68.022 2.302 1.168 0.593 0.930 0.592 CB 1.592 72 residues pruned to eliminate duplicates Z: 40 47.992 2.205 0.942 0.642 0.974 0.846 CB 1.612 40 residues pruned to eliminate duplicates Z: 23 28.318 2.021 0.877 0.555 0.955 0.773 CB 1.581 23 residues pruned to eliminate duplicates Z: 26 72.883 2.402 1.315 0.961 1.000 0.880 CB 1.794 26 residues pruned to eliminate duplicates Z: 10 2.558 1.450 0.421 0.406 0.889 0.222 CB 0.514 10 residues pruned to eliminate duplicates Z: 53 64.308 2.218 1.152 0.698 0.981 0.769 CB 1.590 60 residues pruned to eliminate duplicates Z: 17 24.991 2.120 0.307 0.916 1.000 0.875 CB 1.592 17 residues pruned to eliminate duplicates Z: 16 25.338 2.220 0.393 0.877 0.933 0.867 CB 1.646 16 residues pruned to eliminate duplicates Z: 17 23.520 2.013 1.005 0.543 0.938 0.875 CB 1.490 32 residues pruned to eliminate duplicates Z: 21 21.260 2.073 0.780 0.464 0.900 0.400 CB 1.485 21 residues pruned to eliminate duplicates Z: 42 26.926 2.187 0.894 0.372 0.805 0.439 CB 1.447 42 residues pruned to eliminate duplicates Z: 9 2.965 1.230 0.375 0.321 0.875 0.625 C 0.863 Z: 6 5.152 1.500 0.886 0.552 0.800 0.800 CB 0.968 6 residues pruned to eliminate duplicates Z: 14 27.179 2.188 0.418 0.937 1.000 0.923 CB 1.692 14 residues pruned to eliminate duplicates Z: 145 91.461 2.290 1.110 0.575 0.931 0.722 CB 1.576 145 residues pruned to eliminate duplicates Z: 8 11.153 1.694 0.659 0.830 1.000 0.714 CB 1.128 8 residues pruned to eliminate duplicates Z: 20 28.363 2.083 0.922 0.618 0.947 0.789 CB 1.535 20 residues pruned to eliminate duplicates Z: 65 65.968 2.339 1.002 0.613 0.938 0.719 CB 1.688 65 residues pruned to eliminate duplicates Z: 25 21.758 2.098 0.826 0.513 0.958 0.667 CB 1.194 25 residues pruned to eliminate duplicates Z: 11 16.047 2.031 0.756 0.570 0.900 0.700 CA 1.477 11 residues pruned to eliminate duplicates Z: 64 60.853 2.225 1.205 0.613 0.873 0.619 CB 1.609 64 residues pruned to eliminate duplicates Z: 54 67.065 2.310 1.089 0.639 0.962 0.774 CB 1.741 54 residues pruned to eliminate duplicates Z: 39 56.933 2.273 1.161 0.659 1.000 0.579 CB 1.622 40 residues pruned to eliminate duplicates Z: 15 17.075 1.970 0.734 0.500 0.929 0.786 CB 1.439 15 residues pruned to eliminate duplicates Z: 8 3.751 1.581 0.422 0.347 0.714 0.571 CB 1.043 Z: 24 30.588 2.416 1.098 0.361 0.826 0.391 CB 1.770 24 residues pruned to eliminate duplicates Z: 8 10.265 1.847 0.544 0.833 1.000 0.714 CB 1.021 8 residues pruned to eliminate duplicates Z: 37 52.470 2.329 0.895 0.697 0.944 0.639 CB 1.754 37 residues pruned to eliminate duplicates Z: 20 48.766 2.277 1.262 0.884 0.947 0.684 CB 1.657 20 residues pruned to eliminate duplicates Z: 95 65.152 2.196 0.984 0.602 0.904 0.638 CB 1.548 95 residues pruned to eliminate duplicates Z: 25 75.554 2.392 1.464 0.952 1.000 0.875 C 1.802 25 residues pruned to eliminate duplicates Z: 22 29.365 2.331 0.994 0.487 0.810 0.524 CB 1.726 22 residues pruned to eliminate duplicates Z: 14 30.701 2.330 0.958 0.790 0.923 0.769 C 1.567 14 residues pruned to eliminate duplicates Z: 9 10.693 1.614 0.852 0.724 0.750 0.750 CB 1.378 9 residues pruned to eliminate duplicates Z: 7 7.372 1.582 0.478 0.865 1.000 0.667 CB 0.943 Z: 20 28.348 2.191 0.924 0.547 0.895 0.737 CB 1.648 20 residues pruned to eliminate duplicates Z: 53 47.518 2.169 0.961 0.566 0.981 0.731 CB 1.482 53 residues pruned to eliminate duplicates Z: 7 4.225 1.784 0.456 0.266 0.667 0.333 CB 1.301 7 residues pruned to eliminate duplicates Z: 107 86.518 2.308 1.010 0.652 0.972 0.774 CB 1.618 107 residues pruned to eliminate duplicates Z: 27 69.495 2.408 1.218 0.942 1.000 0.885 CB 1.769 27 residues pruned to eliminate duplicates Z: 14 30.949 2.150 0.660 0.935 1.000 0.923 CB 1.677 14 residues pruned to eliminate duplicates Z: 44 36.461 2.303 0.840 0.484 0.860 0.535 CB 1.549 44 residues pruned to eliminate duplicates Z: 8 18.265 2.046 0.885 0.770 1.000 0.571 CB 1.409 8 residues pruned to eliminate duplicates Z: 20 36.950 2.321 0.844 0.676 1.000 0.684 CB 1.684 20 residues pruned to eliminate duplicates Z: 15 9.329 1.727 0.898 0.595 0.857 0.714 CB 0.811 18 residues pruned to eliminate duplicates Z: 21 14.650 1.812 0.606 0.520 0.850 0.750 CB 1.299 21 residues pruned to eliminate duplicates Z: 9 14.029 1.896 0.744 0.507 1.000 0.750 CB 1.491 9 residues pruned to eliminate duplicates Z: 19 21.852 1.949 0.915 0.566 0.889 0.722 CB 1.455 19 residues pruned to eliminate duplicates Z: 101 71.362 2.223 0.998 0.597 0.920 0.630 CB 1.593 101 residues pruned to eliminate duplicates Z: 11 5.342 1.574 0.404 0.400 0.800 0.500 CB 1.062 11 residues pruned to eliminate duplicates Z: 68 64.374 2.330 1.182 0.598 0.866 0.687 CB 1.628 68 residues pruned to eliminate duplicates 347 residues left after pruning, divided into chains as follows: A: 222 B: 125 CC for partial structure against native data = 47.68 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.464, Connect. = 0.766 for dens.mod. cycle 1 = 0.300, Contrast = 0.530, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.630, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 0.637, Connect. = 0.821 for dens.mod. cycle 4 = 0.300, Contrast = 0.647, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.650, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.654, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2648 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 541 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 67.231 2.478 1.022 0.937 1.000 0.875 C 1.906 B: 26 74.373 2.526 1.076 0.947 1.000 0.800 CB 1.961 C: 27 68.979 2.455 1.114 0.921 0.962 0.808 CB 1.908 26 residues pruned to eliminate duplicates D: 28 60.488 2.387 0.853 0.932 1.000 0.852 CB 1.837 28 residues pruned to eliminate duplicates E: 26 55.837 2.400 0.715 0.933 1.000 1.000 C 1.892 26 residues pruned to eliminate duplicates F: 27 59.173 2.336 1.010 0.912 0.962 0.885 CB 1.819 27 residues pruned to eliminate duplicates G: 24 66.609 2.464 1.005 0.941 1.000 0.957 CB 1.952 24 residues pruned to eliminate duplicates H: 23 60.449 2.455 0.957 0.937 0.955 0.909 C 1.955 23 residues pruned to eliminate duplicates I: 36 76.536 2.491 1.229 0.704 1.000 0.829 CB 1.935 J: 20 27.964 2.119 1.015 0.488 0.947 0.526 CB 1.604 K: 27 61.739 2.332 1.045 0.937 1.000 0.846 CB 1.767 27 residues pruned to eliminate duplicates L: 28 53.546 2.387 0.694 0.924 0.963 0.852 CB 1.858 28 residues pruned to eliminate duplicates M: 33 54.305 2.347 1.183 0.669 0.906 0.656 CB 1.770 33 residues pruned to eliminate duplicates N: 26 66.914 2.410 1.047 0.946 1.000 0.840 C 1.876 26 residues pruned to eliminate duplicates O: 11 28.216 2.419 1.150 0.488 0.900 0.800 C 1.929 11 residues pruned to eliminate duplicates P: 106 95.385 2.448 0.954 0.621 0.971 0.695 CB 1.788 25 residues pruned to eliminate duplicates Q: 10 29.551 2.369 0.729 0.865 1.000 0.889 CB 1.762 R: 10 29.598 2.363 0.605 0.843 1.000 0.889 C 1.937 10 residues pruned to eliminate duplicates S: 26 60.027 2.405 0.872 0.951 1.000 0.920 CB 1.837 26 residues pruned to eliminate duplicates T: 27 73.522 2.456 1.133 0.934 1.000 0.885 CB 1.920 27 residues pruned to eliminate duplicates U: 125 100.935 2.406 0.999 0.618 0.960 0.718 CB 1.757 107 residues pruned to eliminate duplicates V: 38 65.290 2.418 1.109 0.692 0.946 0.649 CB 1.867 38 residues pruned to eliminate duplicates W: 12 20.114 2.221 0.924 0.530 0.909 0.455 CB 1.516 12 residues pruned to eliminate duplicates X: 28 55.488 2.378 0.827 0.917 0.963 0.741 CB 1.801 28 residues pruned to eliminate duplicates Y: 12 19.250 2.371 1.091 0.437 0.818 0.636 CB 1.528 12 residues pruned to eliminate duplicates Z: 29 59.172 2.361 0.850 0.928 1.000 0.857 CB 1.793 28 residues pruned to eliminate duplicates Z: 15 26.713 2.301 0.482 0.875 0.929 0.929 CB 1.640 15 residues pruned to eliminate duplicates Z: 73 74.439 2.379 1.127 0.631 0.875 0.667 CB 1.752 73 residues pruned to eliminate duplicates Z: 106 96.613 2.385 1.016 0.665 0.943 0.790 CB 1.785 106 residues pruned to eliminate duplicates Z: 9 29.989 2.522 0.512 0.902 1.000 1.000 CA 1.983 9 residues pruned to eliminate duplicates Z: 28 65.711 2.393 0.944 0.933 1.000 0.889 CB 1.898 28 residues pruned to eliminate duplicates Z: 43 58.356 2.264 1.116 0.682 0.929 0.690 CB 1.712 43 residues pruned to eliminate duplicates Z: 9 31.056 2.557 0.586 0.877 1.000 0.875 CA 1.966 9 residues pruned to eliminate duplicates Z: 22 33.322 2.294 1.020 0.475 0.905 0.571 C 1.779 21 residues pruned to eliminate duplicates Z: 16 33.097 2.179 0.561 0.928 1.000 1.000 CA 1.759 16 residues pruned to eliminate duplicates Z: 26 71.464 2.400 1.190 0.945 1.000 0.920 C 1.881 26 residues pruned to eliminate duplicates Z: 9 36.991 2.513 0.942 0.925 1.000 1.000 CA 1.880 10 residues pruned to eliminate duplicates Z: 11 24.629 2.163 1.067 0.815 0.900 0.900 CA 1.472 11 residues pruned to eliminate duplicates Z: 25 65.679 2.474 1.005 0.948 1.000 0.917 C 1.867 25 residues pruned to eliminate duplicates Z: 15 33.090 2.303 0.456 0.946 1.000 0.929 C 1.823 15 residues pruned to eliminate duplicates Z: 27 65.247 2.454 0.939 0.925 1.000 0.808 CB 1.887 27 residues pruned to eliminate duplicates Z: 26 65.559 2.504 0.951 0.939 0.960 0.920 CB 1.943 26 residues pruned to eliminate duplicates Z: 134 95.053 2.378 0.942 0.595 0.932 0.729 CB 1.748 134 residues pruned to eliminate duplicates Z: 27 76.944 2.462 1.112 0.947 1.000 0.885 C 2.005 27 residues pruned to eliminate duplicates Z: 27 79.177 2.462 1.175 0.947 1.000 0.885 CB 2.004 28 residues pruned to eliminate duplicates Z: 10 26.925 2.254 0.732 0.888 1.000 0.889 C 1.657 10 residues pruned to eliminate duplicates Z: 9 35.831 2.500 0.897 0.888 1.000 1.000 CA 1.925 9 residues pruned to eliminate duplicates Z: 51 70.411 2.393 1.098 0.742 0.920 0.760 CB 1.736 27 residues pruned to eliminate duplicates Z: 41 39.160 2.245 0.951 0.435 0.875 0.425 CB 1.728 41 residues pruned to eliminate duplicates Z: 40 65.799 2.339 1.230 0.673 0.974 0.667 CB 1.768 40 residues pruned to eliminate duplicates Z: 16 39.213 2.319 0.942 0.867 0.933 0.733 CB 1.762 16 residues pruned to eliminate duplicates Z: 74 71.347 2.303 1.096 0.634 0.918 0.685 CB 1.662 74 residues pruned to eliminate duplicates Z: 88 76.855 2.410 0.946 0.589 0.931 0.690 CB 1.733 88 residues pruned to eliminate duplicates Z: 28 69.530 2.362 1.194 0.940 0.963 0.889 C 1.862 28 residues pruned to eliminate duplicates Z: 11 22.998 2.342 1.276 0.471 0.800 0.500 CB 1.756 Z: 16 47.825 2.379 0.970 0.913 1.000 0.733 CB 1.864 16 residues pruned to eliminate duplicates Z: 28 74.346 2.410 1.117 0.936 1.000 0.889 CB 1.953 30 residues pruned to eliminate duplicates Z: 25 65.147 2.466 0.930 0.957 1.000 0.917 C 1.918 25 residues pruned to eliminate duplicates Z: 9 33.081 2.499 0.702 0.866 1.000 0.875 C 2.013 9 residues pruned to eliminate duplicates Z: 52 50.216 2.295 0.764 0.594 0.961 0.745 CB 1.652 9 residues pruned to eliminate duplicates Z: 15 28.687 2.384 0.403 0.851 1.000 0.929 CB 1.697 15 residues pruned to eliminate duplicates Z: 12 26.877 2.304 1.445 0.539 0.818 0.818 CB 1.692 11 residues pruned to eliminate duplicates Z: 53 46.841 2.229 0.955 0.565 0.865 0.615 CB 1.618 53 residues pruned to eliminate duplicates Z: 14 33.263 2.443 0.489 0.911 1.000 0.923 CB 1.798 14 residues pruned to eliminate duplicates Z: 61 65.401 2.311 0.984 0.726 0.883 0.750 CB 1.700 48 residues pruned to eliminate duplicates Z: 128 89.527 2.323 1.030 0.605 0.929 0.717 CB 1.641 120 residues pruned to eliminate duplicates Z: 35 58.594 2.365 1.069 0.685 0.941 0.676 C 1.842 35 residues pruned to eliminate duplicates Z: 16 35.715 2.381 0.669 0.870 0.933 0.800 CB 1.816 16 residues pruned to eliminate duplicates Z: 26 76.968 2.524 1.107 0.952 1.000 0.880 C 1.993 26 residues pruned to eliminate duplicates Z: 7 12.746 2.158 0.259 0.869 0.833 0.333 CA 1.680 7 residues pruned to eliminate duplicates Z: 105 94.321 2.428 0.981 0.623 0.952 0.760 CB 1.799 105 residues pruned to eliminate duplicates Z: 17 40.890 2.280 0.904 0.886 1.000 0.750 CA 1.699 17 residues pruned to eliminate duplicates Z: 27 67.006 2.459 0.982 0.939 0.962 0.885 CB 1.949 27 residues pruned to eliminate duplicates Z: 52 48.444 2.287 0.725 0.586 0.961 0.706 CB 1.647 52 residues pruned to eliminate duplicates Z: 8 13.665 2.126 0.308 0.837 1.000 0.714 CA 1.389 8 residues pruned to eliminate duplicates Z: 16 32.756 2.174 0.453 0.932 1.000 0.933 C 1.869 16 residues pruned to eliminate duplicates Z: 29 57.470 2.336 0.898 0.927 0.964 0.821 CB 1.779 29 residues pruned to eliminate duplicates Z: 25 65.256 2.469 1.000 0.945 1.000 0.833 C 1.866 25 residues pruned to eliminate duplicates Z: 11 18.583 2.433 1.155 0.447 0.700 0.600 CB 1.691 11 residues pruned to eliminate duplicates Z: 26 67.570 2.497 0.885 0.944 1.000 0.920 C 1.988 26 residues pruned to eliminate duplicates Z: 16 37.490 2.260 0.746 0.897 1.000 0.667 CB 1.757 16 residues pruned to eliminate duplicates Z: 16 46.701 2.413 0.865 0.912 1.000 0.933 CB 1.898 16 residues pruned to eliminate duplicates Z: 26 63.342 2.391 1.034 0.904 1.000 0.920 C 1.855 26 residues pruned to eliminate duplicates Z: 15 39.282 2.297 0.737 0.937 1.000 0.929 C 1.831 15 residues pruned to eliminate duplicates Z: 37 23.991 1.788 0.761 0.660 0.972 0.667 CB 1.126 Z: 25 75.373 2.497 1.280 0.952 1.000 0.875 C 1.862 25 residues pruned to eliminate duplicates Z: 72 72.504 2.404 0.902 0.613 0.972 0.718 CB 1.739 72 residues pruned to eliminate duplicates Z: 25 68.484 2.463 1.052 0.943 1.000 0.917 C 1.917 25 residues pruned to eliminate duplicates Z: 17 26.440 2.291 0.219 0.876 1.000 0.938 CA 1.720 17 residues pruned to eliminate duplicates Z: 43 51.896 2.306 0.744 0.643 0.976 0.571 CB 1.785 43 residues pruned to eliminate duplicates Z: 6 4.405 1.991 -0.043 0.642 0.800 0.600 CB 1.132 6 residues pruned to eliminate duplicates Z: 26 66.596 2.428 1.041 0.932 1.000 0.720 C 1.876 26 residues pruned to eliminate duplicates Z: 16 28.837 2.302 0.551 0.866 0.933 0.867 CB 1.636 16 residues pruned to eliminate duplicates Z: 9 36.599 2.563 0.828 0.879 1.000 1.000 CA 2.003 9 residues pruned to eliminate duplicates Z: 17 31.343 2.093 0.550 0.894 1.000 0.938 CA 1.731 17 residues pruned to eliminate duplicates Z: 15 38.017 2.466 0.530 0.934 1.000 1.000 CB 1.878 15 residues pruned to eliminate duplicates Z: 17 35.843 2.354 0.735 0.869 0.938 0.812 CB 1.709 17 residues pruned to eliminate duplicates Z: 36 75.949 2.499 1.209 0.695 1.000 0.714 CB 1.947 36 residues pruned to eliminate duplicates Z: 16 35.715 2.228 0.716 0.913 1.000 0.867 C 1.707 16 residues pruned to eliminate duplicates Z: 49 55.158 2.242 1.005 0.581 0.938 0.625 CB 1.747 49 residues pruned to eliminate duplicates Z: 15 38.101 2.286 0.759 0.951 1.000 1.000 C 1.746 15 residues pruned to eliminate duplicates Z: 24 19.763 1.912 0.644 0.618 0.913 0.565 CB 1.285 24 residues pruned to eliminate duplicates Z: 16 40.001 2.364 0.783 0.906 0.933 0.933 CB 1.867 16 residues pruned to eliminate duplicates Z: 26 76.576 2.504 1.222 0.945 0.960 0.880 C 1.984 26 residues pruned to eliminate duplicates Z: 16 35.974 2.335 0.650 0.860 1.000 0.867 CB 1.773 16 residues pruned to eliminate duplicates Z: 17 33.578 2.292 0.553 0.850 1.000 0.750 CB 1.747 17 residues pruned to eliminate duplicates Z: 45 48.298 2.301 0.750 0.642 0.932 0.727 CB 1.699 45 residues pruned to eliminate duplicates Z: 26 60.711 2.478 0.822 0.950 0.960 0.920 CB 1.932 26 residues pruned to eliminate duplicates Z: 16 26.984 2.155 0.390 0.911 1.000 0.867 CB 1.648 16 residues pruned to eliminate duplicates Z: 52 49.379 2.273 0.804 0.591 0.941 0.667 CB 1.642 52 residues pruned to eliminate duplicates Z: 9 34.360 2.501 0.810 0.909 1.000 1.000 CB 1.905 9 residues pruned to eliminate duplicates Z: 9 28.971 2.206 1.317 0.880 0.875 0.875 CB 1.660 9 residues pruned to eliminate duplicates Z: 11 25.126 2.388 1.363 0.507 0.800 0.700 CB 1.747 11 residues pruned to eliminate duplicates Z: 52 45.952 2.197 0.939 0.536 0.863 0.627 CB 1.690 52 residues pruned to eliminate duplicates Z: 16 49.845 2.438 1.006 0.882 1.000 0.867 CB 1.904 16 residues pruned to eliminate duplicates Z: 27 71.257 2.460 1.037 0.943 1.000 0.846 CB 1.933 27 residues pruned to eliminate duplicates Z: 69 76.141 2.395 1.000 0.643 0.971 0.779 CB 1.738 69 residues pruned to eliminate duplicates Z: 38 24.600 1.725 0.885 0.669 0.973 0.730 CB 1.093 38 residues pruned to eliminate duplicates Z: 11 22.188 2.500 1.080 0.468 0.800 0.700 CB 1.743 11 residues pruned to eliminate duplicates Z: 28 55.741 2.284 1.064 0.904 0.926 0.704 CB 1.750 28 residues pruned to eliminate duplicates Z: 16 35.699 2.341 0.746 0.875 0.933 0.733 CB 1.758 16 residues pruned to eliminate duplicates Z: 40 44.951 2.346 0.775 0.575 0.897 0.744 CB 1.791 41 residues pruned to eliminate duplicates Z: 7 13.725 2.221 0.133 0.875 1.000 0.500 CA 1.619 7 residues pruned to eliminate duplicates Z: 15 36.700 2.392 0.613 0.879 1.000 1.000 CB 1.843 15 residues pruned to eliminate duplicates Z: 41 60.703 2.350 1.025 0.688 0.950 0.700 CB 1.787 41 residues pruned to eliminate duplicates Z: 27 68.215 2.340 1.303 0.917 0.962 0.808 C 1.822 27 residues pruned to eliminate duplicates Z: 15 38.621 2.421 0.669 0.907 1.000 0.857 CB 1.816 15 residues pruned to eliminate duplicates Z: 38 64.842 2.376 1.031 0.671 1.000 0.649 CB 1.887 38 residues pruned to eliminate duplicates Z: 10 31.891 2.289 0.996 0.834 1.000 0.889 C 1.744 10 residues pruned to eliminate duplicates Z: 74 73.457 2.373 1.030 0.640 0.918 0.699 CB 1.706 74 residues pruned to eliminate duplicates Z: 11 23.418 2.392 1.208 0.492 0.800 0.600 CB 1.767 11 residues pruned to eliminate duplicates Z: 27 71.796 2.448 1.137 0.940 0.962 0.923 CB 1.943 27 residues pruned to eliminate duplicates Z: 10 37.107 2.343 0.930 0.873 1.000 0.889 CB 1.992 10 residues pruned to eliminate duplicates Z: 15 35.536 2.256 0.638 0.942 1.000 0.929 C 1.783 15 residues pruned to eliminate duplicates Z: 17 37.234 2.155 0.859 0.907 1.000 0.688 CB 1.651 17 residues pruned to eliminate duplicates Z: 136 98.134 2.387 0.896 0.594 0.956 0.681 CB 1.785 136 residues pruned to eliminate duplicates Z: 27 64.236 2.343 1.098 0.924 1.000 0.846 CB 1.799 27 residues pruned to eliminate duplicates Z: 52 71.243 2.457 1.130 0.652 0.922 0.706 CB 1.796 91 residues pruned to eliminate duplicates Z: 28 54.710 2.338 0.858 0.903 0.963 0.852 CB 1.795 28 residues pruned to eliminate duplicates Z: 74 68.976 2.361 1.066 0.595 0.877 0.699 CB 1.723 74 residues pruned to eliminate duplicates Z: 19 19.614 2.104 0.994 0.387 0.833 0.500 CB 1.491 19 residues pruned to eliminate duplicates Z: 27 65.093 2.349 1.085 0.922 1.000 0.885 C 1.833 27 residues pruned to eliminate duplicates Z: 26 76.494 2.516 1.151 0.957 1.000 0.920 CB 1.941 26 residues pruned to eliminate duplicates Z: 67 62.695 2.382 0.785 0.622 0.924 0.682 CB 1.750 67 residues pruned to eliminate duplicates Z: 90 81.322 2.404 1.059 0.596 0.921 0.697 CB 1.726 90 residues pruned to eliminate duplicates Z: 8 12.022 2.142 0.260 0.821 0.857 0.714 CA 1.486 8 residues pruned to eliminate duplicates Z: 24 58.748 2.447 0.897 0.920 1.000 0.870 CB 1.859 24 residues pruned to eliminate duplicates Z: 37 66.051 2.444 1.168 0.687 0.944 0.750 CB 1.854 37 residues pruned to eliminate duplicates Z: 74 63.185 2.345 0.781 0.579 0.986 0.753 CB 1.664 74 residues pruned to eliminate duplicates Z: 22 35.544 2.237 0.536 0.844 0.952 0.714 CA 1.763 22 residues pruned to eliminate duplicates Z: 86 84.181 2.434 1.065 0.608 0.918 0.659 CB 1.786 86 residues pruned to eliminate duplicates Z: 50 60.789 2.312 0.991 0.656 0.939 0.776 CB 1.738 50 residues pruned to eliminate duplicates Z: 17 24.372 2.069 0.293 0.880 1.000 0.938 CB 1.651 17 residues pruned to eliminate duplicates Z: 16 34.067 2.202 0.641 0.913 1.000 0.933 C 1.723 16 residues pruned to eliminate duplicates Z: 41 59.266 2.383 0.817 0.686 1.000 0.675 CB 1.824 41 residues pruned to eliminate duplicates Z: 16 22.470 2.260 0.271 0.853 0.933 0.667 CB 1.599 16 residues pruned to eliminate duplicates Z: 16 43.408 2.417 0.820 0.882 1.000 0.933 CA 1.844 16 residues pruned to eliminate duplicates Z: 8 14.017 1.909 0.616 0.872 1.000 0.714 CB 1.252 8 residues pruned to eliminate duplicates Z: 16 39.512 2.314 0.852 0.858 1.000 0.800 C 1.753 16 residues pruned to eliminate duplicates Z: 16 39.248 2.356 0.741 0.877 1.000 0.867 CB 1.793 16 residues pruned to eliminate duplicates Z: 11 22.486 2.228 0.473 0.802 1.000 0.700 CA 1.664 11 residues pruned to eliminate duplicates Z: 26 74.277 2.414 1.347 0.954 1.000 0.920 C 1.804 26 residues pruned to eliminate duplicates Z: 17 28.252 2.274 0.548 0.846 0.938 0.812 CB 1.590 17 residues pruned to eliminate duplicates Z: 15 40.857 2.248 0.965 0.949 1.000 0.786 C 1.706 15 residues pruned to eliminate duplicates Z: 15 39.505 2.275 0.859 0.952 1.000 1.000 C 1.720 15 residues pruned to eliminate duplicates Z: 6 5.488 1.908 0.737 0.475 0.800 0.600 CB 0.950 6 residues pruned to eliminate duplicates Z: 9 36.420 2.566 0.876 0.885 1.000 0.875 CA 1.930 9 residues pruned to eliminate duplicates Z: 58 50.164 2.262 0.691 0.548 0.982 0.684 CB 1.687 58 residues pruned to eliminate duplicates Z: 125 101.698 2.420 0.945 0.632 0.960 0.653 CB 1.785 125 residues pruned to eliminate duplicates Z: 42 57.839 2.313 0.910 0.676 0.951 0.707 CB 1.828 42 residues pruned to eliminate duplicates Z: 16 45.569 2.414 1.000 0.861 1.000 0.867 CB 1.790 16 residues pruned to eliminate duplicates Z: 83 61.172 2.317 0.848 0.580 0.915 0.634 CB 1.597 83 residues pruned to eliminate duplicates Z: 6 2.844 1.967 0.169 0.366 0.400 0.400 CB 1.597 6 residues pruned to eliminate duplicates Z: 70 78.629 2.410 1.150 0.592 0.942 0.580 CB 1.775 70 residues pruned to eliminate duplicates Z: 15 37.673 2.375 0.585 0.936 1.000 0.786 CB 1.862 15 residues pruned to eliminate duplicates Z: 16 32.690 2.283 0.570 0.906 1.000 0.867 CB 1.675 16 residues pruned to eliminate duplicates Z: 17 34.008 2.309 0.556 0.842 1.000 0.875 CA 1.762 17 residues pruned to eliminate duplicates Z: 12 15.047 2.239 0.732 0.334 0.818 0.545 CB 1.716 12 residues pruned to eliminate duplicates Z: 17 25.250 2.233 0.436 0.868 0.938 0.875 CB 1.535 17 residues pruned to eliminate duplicates Z: 46 71.062 2.399 1.109 0.681 0.978 0.689 CB 1.813 46 residues pruned to eliminate duplicates Z: 42 47.014 2.236 0.827 0.642 0.902 0.683 CB 1.744 42 residues pruned to eliminate duplicates Z: 25 70.597 2.457 1.147 0.953 1.000 0.833 C 1.880 25 residues pruned to eliminate duplicates Z: 21 49.740 2.354 0.839 0.831 1.000 0.600 C 1.930 21 residues pruned to eliminate duplicates Z: 24 34.575 2.362 0.556 0.676 0.957 0.652 CB 1.744 24 residues pruned to eliminate duplicates Z: 37 54.826 2.330 0.948 0.641 0.972 0.750 CB 1.813 37 residues pruned to eliminate duplicates Z: 25 24.062 2.277 0.992 0.410 0.833 0.500 CB 1.428 25 residues pruned to eliminate duplicates Z: 16 41.989 2.157 0.985 0.941 1.000 0.933 C 1.757 16 residues pruned to eliminate duplicates Z: 20 27.839 2.012 0.885 0.667 1.000 0.684 CB 1.443 21 residues pruned to eliminate duplicates Z: 89 71.428 2.348 1.003 0.594 0.898 0.670 CB 1.649 89 residues pruned to eliminate duplicates Z: 15 31.786 2.209 0.612 0.884 0.929 0.786 CA 1.857 15 residues pruned to eliminate duplicates Z: 64 65.852 2.396 0.991 0.623 0.889 0.667 CB 1.742 64 residues pruned to eliminate duplicates Z: 141 97.868 2.369 0.923 0.589 0.971 0.693 CB 1.716 141 residues pruned to eliminate duplicates Z: 72 69.780 2.389 0.818 0.612 1.000 0.732 CB 1.715 72 residues pruned to eliminate duplicates Z: 9 37.595 2.469 0.978 0.900 1.000 1.000 CA 1.944 9 residues pruned to eliminate duplicates Z: 12 35.964 2.357 0.657 0.932 1.000 1.000 CB 1.939 12 residues pruned to eliminate duplicates Z: 27 57.764 2.296 1.055 0.914 0.962 0.731 CB 1.765 27 residues pruned to eliminate duplicates Z: 61 74.405 2.370 1.041 0.659 0.950 0.700 CB 1.804 61 residues pruned to eliminate duplicates Z: 136 104.445 2.400 0.956 0.622 0.948 0.711 CB 1.800 136 residues pruned to eliminate duplicates Z: 13 18.052 2.214 0.891 0.395 0.833 0.500 CB 1.668 13 residues pruned to eliminate duplicates Z: 41 59.682 2.361 0.907 0.692 0.975 0.825 CB 1.803 40 residues pruned to eliminate duplicates Z: 28 63.684 2.356 1.068 0.906 0.963 0.852 CB 1.857 28 residues pruned to eliminate duplicates Z: 9 35.404 2.537 0.791 0.873 1.000 0.875 CA 2.006 9 residues pruned to eliminate duplicates Z: 36 71.990 2.480 1.192 0.710 0.971 0.657 CB 1.904 36 residues pruned to eliminate duplicates Z: 19 30.965 2.525 0.777 0.423 0.889 0.389 CB 1.982 19 residues pruned to eliminate duplicates Z: 46 47.569 2.201 0.917 0.616 0.911 0.711 CB 1.653 46 residues pruned to eliminate duplicates Z: 37 21.826 1.722 0.696 0.656 0.944 0.556 CB 1.141 37 residues pruned to eliminate duplicates Z: 16 39.739 2.172 0.828 0.934 1.000 0.867 C 1.802 16 residues pruned to eliminate duplicates Z: 38 50.819 2.344 0.760 0.647 0.919 0.676 CA 1.921 38 residues pruned to eliminate duplicates Z: 22 27.456 2.144 0.895 0.470 0.857 0.524 C 1.774 22 residues pruned to eliminate duplicates Z: 52 55.345 2.271 0.991 0.631 0.922 0.765 CB 1.644 52 residues pruned to eliminate duplicates Z: 60 68.202 2.379 1.137 0.624 0.881 0.644 CB 1.762 60 residues pruned to eliminate duplicates Z: 7 5.002 1.852 0.328 0.384 0.833 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 17 39.165 2.236 0.826 0.892 1.000 0.750 CA 1.723 17 residues pruned to eliminate duplicates Z: 75 66.165 2.293 1.035 0.636 0.892 0.703 CB 1.626 75 residues pruned to eliminate duplicates Z: 13 23.964 2.234 0.681 0.669 0.917 0.833 CB 1.719 13 residues pruned to eliminate duplicates Z: 27 64.295 2.344 1.117 0.916 1.000 0.769 C 1.795 27 residues pruned to eliminate duplicates Z: 37 60.198 2.444 0.842 0.685 1.000 0.778 CB 1.880 37 residues pruned to eliminate duplicates Z: 42 38.337 2.245 1.042 0.439 0.902 0.561 CB 1.541 42 residues pruned to eliminate duplicates Z: 20 34.742 2.328 0.614 0.767 0.947 0.789 CB 1.768 20 residues pruned to eliminate duplicates Z: 28 54.341 2.351 0.883 0.904 0.926 0.815 CB 1.818 28 residues pruned to eliminate duplicates Z: 48 63.142 2.346 0.940 0.690 0.957 0.809 CB 1.776 52 residues pruned to eliminate duplicates Z: 42 55.325 2.301 0.859 0.671 1.000 0.756 CB 1.725 42 residues pruned to eliminate duplicates Z: 16 43.642 2.288 0.987 0.918 1.000 0.867 CB 1.748 16 residues pruned to eliminate duplicates Z: 9 18.854 2.133 1.079 0.611 0.875 0.750 CB 1.546 9 residues pruned to eliminate duplicates Z: 42 51.284 2.347 0.767 0.637 0.951 0.707 CB 1.786 42 residues pruned to eliminate duplicates Z: 16 26.599 2.293 0.319 0.906 1.000 0.867 CB 1.614 16 residues pruned to eliminate duplicates Z: 15 28.644 2.380 0.792 0.599 0.857 0.571 C 1.905 15 residues pruned to eliminate duplicates Z: 10 20.716 2.440 0.894 0.528 0.778 0.667 CB 1.870 10 residues pruned to eliminate duplicates Z: 16 36.173 2.333 0.605 0.929 1.000 0.933 CB 1.746 16 residues pruned to eliminate duplicates Z: 37 56.454 2.394 1.020 0.666 0.972 0.694 CB 1.716 37 residues pruned to eliminate duplicates Z: 8 15.624 2.095 0.526 0.793 1.000 0.714 CA 1.428 8 residues pruned to eliminate duplicates Z: 53 52.880 2.281 0.821 0.599 0.962 0.788 CB 1.670 53 residues pruned to eliminate duplicates Z: 72 73.500 2.364 0.886 0.612 1.000 0.718 CB 1.760 72 residues pruned to eliminate duplicates Z: 32 28.123 1.808 0.941 0.736 0.968 0.774 CB 1.203 32 residues pruned to eliminate duplicates Z: 32 56.469 2.345 1.107 0.705 0.935 0.710 CB 1.821 32 residues pruned to eliminate duplicates Z: 136 97.554 2.399 0.929 0.606 0.941 0.696 CB 1.744 136 residues pruned to eliminate duplicates Z: 16 26.815 2.289 0.413 0.874 0.933 0.867 CB 1.669 16 residues pruned to eliminate duplicates Z: 25 77.166 2.475 1.385 0.951 1.000 0.833 C 1.840 25 residues pruned to eliminate duplicates Z: 84 65.753 2.326 0.918 0.588 0.928 0.663 CB 1.603 84 residues pruned to eliminate duplicates Z: 12 18.046 2.062 1.140 0.426 0.818 0.727 CB 1.627 12 residues pruned to eliminate duplicates Z: 74 64.481 2.320 0.989 0.629 0.890 0.644 CB 1.627 74 residues pruned to eliminate duplicates Z: 7 17.084 2.203 0.428 0.900 1.000 0.667 CA 1.584 7 residues pruned to eliminate duplicates Z: 14 46.025 2.370 0.944 0.953 1.000 1.000 C 1.906 14 residues pruned to eliminate duplicates Z: 26 60.447 2.377 0.929 0.938 1.000 0.920 C 1.834 26 residues pruned to eliminate duplicates Z: 25 70.576 2.493 1.130 0.946 1.000 0.875 C 1.877 25 residues pruned to eliminate duplicates Z: 6 15.917 2.278 0.308 0.879 1.000 0.800 C 1.732 6 residues pruned to eliminate duplicates Z: 52 64.398 2.352 1.076 0.728 0.902 0.745 CB 1.667 52 residues pruned to eliminate duplicates Z: 32 55.927 2.477 0.800 0.693 1.000 0.742 CB 1.889 32 residues pruned to eliminate duplicates Z: 39 28.041 2.221 0.904 0.399 0.789 0.500 CB 1.516 39 residues pruned to eliminate duplicates Z: 81 73.409 2.352 1.028 0.594 0.900 0.637 CB 1.747 81 residues pruned to eliminate duplicates Z: 43 64.563 2.335 1.043 0.760 0.929 0.762 C 1.785 43 residues pruned to eliminate duplicates Z: 53 56.197 2.277 0.964 0.611 0.962 0.712 CB 1.631 53 residues pruned to eliminate duplicates Z: 16 48.860 2.409 0.973 0.922 1.000 1.000 CA 1.866 16 residues pruned to eliminate duplicates Z: 63 76.700 2.472 1.043 0.635 0.919 0.694 CB 1.848 63 residues pruned to eliminate duplicates Z: 28 32.789 2.321 0.949 0.462 0.963 0.593 CB 1.506 28 residues pruned to eliminate duplicates Z: 66 74.890 2.386 1.120 0.610 0.923 0.662 CB 1.793 66 residues pruned to eliminate duplicates Z: 46 39.061 2.210 0.812 0.511 0.844 0.644 CB 1.703 46 residues pruned to eliminate duplicates Z: 7 11.370 1.945 0.705 0.892 1.000 1.000 CB 1.006 7 residues pruned to eliminate duplicates Z: 27 70.030 2.433 1.138 0.941 0.962 0.885 CB 1.905 27 residues pruned to eliminate duplicates Z: 31 16.787 1.625 0.570 0.715 1.000 0.800 CB 0.989 Z: 21 45.488 2.291 1.135 0.790 0.900 0.650 CB 1.791 21 residues pruned to eliminate duplicates Z: 25 72.612 2.496 1.226 0.948 1.000 0.875 C 1.843 25 residues pruned to eliminate duplicates Z: 37 60.336 2.450 0.914 0.660 0.972 0.694 CB 1.902 37 residues pruned to eliminate duplicates Z: 6 6.686 1.855 0.644 0.522 0.800 0.600 CB 1.199 6 residues pruned to eliminate duplicates Z: 33 21.660 1.787 0.669 0.683 0.938 0.719 CB 1.158 64 residues pruned to eliminate duplicates Z: 6 6.369 1.898 0.388 0.540 0.800 0.400 CB 1.298 6 residues pruned to eliminate duplicates Z: 14 29.189 2.345 0.284 0.936 1.000 1.000 CB 1.873 14 residues pruned to eliminate duplicates Z: 26 68.911 2.426 1.360 0.935 0.920 0.880 C 1.824 26 residues pruned to eliminate duplicates Z: 74 61.115 2.374 0.845 0.611 0.863 0.671 CB 1.703 74 residues pruned to eliminate duplicates Z: 31 23.998 2.211 0.629 0.361 0.933 0.500 CB 1.515 31 residues pruned to eliminate duplicates Z: 7 13.933 2.145 0.597 0.734 0.833 0.667 CA 1.615 7 residues pruned to eliminate duplicates Z: 30 20.591 2.243 0.605 0.359 0.793 0.483 CB 1.558 30 residues pruned to eliminate duplicates Z: 87 79.916 2.350 0.949 0.654 0.953 0.733 CB 1.710 87 residues pruned to eliminate duplicates Z: 43 56.568 2.262 0.950 0.665 0.976 0.667 CB 1.739 43 residues pruned to eliminate duplicates Z: 11 23.855 2.369 1.454 0.490 0.800 0.700 CB 1.638 11 residues pruned to eliminate duplicates Z: 6 6.312 1.626 1.243 0.563 0.800 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 50 54.072 2.338 0.768 0.617 0.980 0.776 CB 1.708 50 residues pruned to eliminate duplicates Z: 21 8.508 1.493 0.280 0.731 0.950 0.750 CB 0.851 Z: 17 23.037 2.109 0.406 0.824 0.938 0.875 CA 1.564 17 residues pruned to eliminate duplicates Z: 25 70.497 2.449 1.231 0.938 1.000 0.875 C 1.832 25 residues pruned to eliminate duplicates Z: 41 65.226 2.376 1.009 0.696 0.975 0.775 CB 1.853 42 residues pruned to eliminate duplicates Z: 37 60.397 2.398 1.110 0.664 0.944 0.722 CB 1.809 37 residues pruned to eliminate duplicates Z: 10 6.615 1.687 0.253 0.550 1.000 0.667 CB 0.994 10 residues pruned to eliminate duplicates Z: 95 87.113 2.368 1.043 0.622 0.947 0.660 CB 1.748 95 residues pruned to eliminate duplicates Z: 63 75.355 2.369 1.182 0.643 0.903 0.613 CB 1.793 63 residues pruned to eliminate duplicates Z: 16 25.230 2.152 0.924 0.617 0.800 0.733 C 1.760 16 residues pruned to eliminate duplicates Z: 11 18.236 2.160 0.850 0.503 0.900 0.500 C 1.600 11 residues pruned to eliminate duplicates Z: 42 56.908 2.312 1.006 0.618 0.951 0.756 CB 1.801 42 residues pruned to eliminate duplicates Z: 24 58.258 2.420 0.899 0.930 1.000 0.913 C 1.849 24 residues pruned to eliminate duplicates Z: 52 41.696 2.167 0.670 0.578 0.941 0.608 CB 1.591 52 residues pruned to eliminate duplicates Z: 13 5.249 1.632 0.717 0.313 0.583 0.417 CB 1.139 13 residues pruned to eliminate duplicates Z: 157 98.316 2.331 0.910 0.580 0.923 0.686 CB 1.773 193 residues pruned to eliminate duplicates Z: 15 10.879 1.815 0.721 0.594 0.857 0.714 CB 0.993 15 residues pruned to eliminate duplicates Z: 8 22.418 2.181 1.138 0.520 1.000 0.857 C 1.781 8 residues pruned to eliminate duplicates Z: 25 19.713 2.155 0.742 0.426 0.708 0.292 CB 1.635 25 residues pruned to eliminate duplicates Z: 24 73.971 2.467 1.332 0.941 1.000 0.870 C 1.861 24 residues pruned to eliminate duplicates Z: 124 102.650 2.418 1.001 0.627 0.959 0.699 CB 1.769 124 residues pruned to eliminate duplicates Z: 27 64.005 2.458 0.907 0.945 0.962 0.808 CB 1.927 27 residues pruned to eliminate duplicates Z: 26 70.133 2.467 0.924 0.945 1.000 0.920 CB 2.045 26 residues pruned to eliminate duplicates Z: 9 21.760 2.195 0.682 0.841 0.875 0.625 CA 1.776 9 residues pruned to eliminate duplicates Z: 14 23.521 2.179 1.190 0.443 0.846 0.615 CB 1.713 14 residues pruned to eliminate duplicates Z: 14 15.685 2.122 0.773 0.563 0.846 0.769 CB 1.285 14 residues pruned to eliminate duplicates Z: 19 15.358 2.089 0.607 0.397 0.833 0.444 CB 1.443 19 residues pruned to eliminate duplicates Z: 7 13.319 2.004 0.320 0.843 1.000 0.833 CB 1.531 Z: 21 19.433 2.230 0.799 0.363 0.850 0.450 CB 1.477 21 residues pruned to eliminate duplicates Z: 107 95.332 2.382 0.956 0.649 0.991 0.774 CB 1.746 124 residues pruned to eliminate duplicates Z: 83 66.713 2.269 1.077 0.596 0.902 0.610 CB 1.581 73 residues pruned to eliminate duplicates Z: 27 65.632 2.438 1.019 0.926 0.962 0.885 CB 1.907 27 residues pruned to eliminate duplicates Z: 25 70.719 2.480 1.190 0.963 1.000 0.958 C 1.816 25 residues pruned to eliminate duplicates Z: 41 59.064 2.395 0.747 0.695 1.000 0.725 CB 1.868 41 residues pruned to eliminate duplicates Z: 14 8.237 2.032 0.366 0.307 0.769 0.692 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 8.248 1.984 0.822 0.482 0.833 0.667 CB 1.137 7 residues pruned to eliminate duplicates Z: 41 50.681 2.319 0.742 0.685 0.925 0.825 CB 1.810 41 residues pruned to eliminate duplicates Z: 21 8.624 1.489 0.249 0.712 1.000 0.800 CB 0.856 21 residues pruned to eliminate duplicates Z: 42 48.471 2.310 0.769 0.640 0.902 0.707 CB 1.801 42 residues pruned to eliminate duplicates Z: 26 68.853 2.393 1.066 0.932 1.000 0.920 C 1.945 26 residues pruned to eliminate duplicates Z: 27 18.264 2.035 0.657 0.354 0.808 0.462 CB 1.540 27 residues pruned to eliminate duplicates Z: 21 35.756 2.225 0.708 0.655 1.000 0.850 CB 1.822 21 residues pruned to eliminate duplicates Z: 49 68.188 2.409 0.849 0.672 1.000 0.833 CB 1.885 49 residues pruned to eliminate duplicates Z: 15 24.468 2.338 0.231 0.859 0.929 0.857 CB 1.801 15 residues pruned to eliminate duplicates Z: 46 75.323 2.500 1.011 0.707 0.956 0.778 CB 1.935 46 residues pruned to eliminate duplicates Z: 42 56.418 2.311 0.990 0.659 0.951 0.732 CB 1.738 42 residues pruned to eliminate duplicates Z: 68 65.140 2.276 0.976 0.595 0.955 0.642 CB 1.691 49 residues pruned to eliminate duplicates Z: 33 17.967 1.592 0.723 0.725 1.000 0.656 CB 0.945 22 residues pruned to eliminate duplicates Z: 17 10.809 1.758 0.659 0.482 0.812 0.562 CB 1.161 Z: 61 65.833 2.330 1.017 0.614 0.917 0.633 CB 1.770 63 residues pruned to eliminate duplicates Z: 16 30.618 2.423 0.277 0.880 1.000 0.867 CB 1.850 16 residues pruned to eliminate duplicates Z: 11 14.778 1.830 0.421 0.819 1.000 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 79 67.080 2.360 0.946 0.603 0.897 0.679 CB 1.671 79 residues pruned to eliminate duplicates Z: 38 21.063 1.667 0.747 0.703 0.946 0.568 CB 1.045 33 residues pruned to eliminate duplicates Z: 51 67.493 2.437 0.956 0.679 0.900 0.640 C 1.887 51 residues pruned to eliminate duplicates Z: 43 64.451 2.325 1.006 0.699 1.000 0.714 CB 1.778 43 residues pruned to eliminate duplicates Z: 16 42.871 2.256 1.084 0.952 0.933 0.867 CB 1.738 16 residues pruned to eliminate duplicates Z: 41 59.536 2.313 1.055 0.679 0.950 0.825 CB 1.768 41 residues pruned to eliminate duplicates Z: 28 25.427 2.098 0.740 0.374 0.926 0.556 CB 1.657 28 residues pruned to eliminate duplicates Z: 15 32.762 2.414 0.527 0.855 1.000 0.857 CB 1.754 15 residues pruned to eliminate duplicates Z: 9 36.598 2.480 0.930 0.904 1.000 0.750 CA 1.926 9 residues pruned to eliminate duplicates Z: 44 50.590 2.353 0.621 0.657 0.977 0.767 CB 1.790 44 residues pruned to eliminate duplicates Z: 17 39.790 2.179 0.915 0.943 1.000 0.812 CB 1.651 17 residues pruned to eliminate duplicates Z: 150 96.766 2.344 0.919 0.569 0.946 0.671 CB 1.741 146 residues pruned to eliminate duplicates Z: 38 68.582 2.369 1.110 0.713 1.000 0.676 CB 1.860 37 residues pruned to eliminate duplicates Z: 20 20.767 2.180 0.928 0.414 0.895 0.632 CB 1.386 20 residues pruned to eliminate duplicates Z: 89 70.515 2.336 0.999 0.591 0.909 0.682 CB 1.624 89 residues pruned to eliminate duplicates Z: 48 39.113 2.322 0.720 0.412 0.915 0.468 CB 1.712 48 residues pruned to eliminate duplicates Z: 28 61.710 2.367 0.956 0.927 0.963 0.852 CB 1.867 28 residues pruned to eliminate duplicates Z: 24 80.962 2.510 1.423 0.965 1.000 0.957 C 1.895 24 residues pruned to eliminate duplicates Z: 27 71.839 2.352 1.329 0.918 1.000 0.846 C 1.814 27 residues pruned to eliminate duplicates Z: 144 96.213 2.382 0.845 0.583 0.979 0.650 CB 1.726 144 residues pruned to eliminate duplicates Z: 6 3.602 1.327 0.654 0.484 0.800 0.600 N 0.932 Z: 30 37.048 2.257 1.025 0.567 0.966 0.724 CB 1.461 30 residues pruned to eliminate duplicates Z: 16 43.864 2.288 1.011 0.917 1.000 0.733 CB 1.737 16 residues pruned to eliminate duplicates Z: 32 25.812 2.237 0.773 0.413 0.806 0.548 CB 1.589 32 residues pruned to eliminate duplicates Z: 19 25.039 1.964 1.093 0.698 1.000 0.722 CB 1.199 18 residues pruned to eliminate duplicates Z: 43 51.529 2.365 0.864 0.690 0.881 0.619 CB 1.721 43 residues pruned to eliminate duplicates Z: 17 28.119 2.260 0.378 0.880 0.938 0.938 CB 1.745 17 residues pruned to eliminate duplicates Z: 41 65.477 2.314 1.125 0.747 0.975 0.850 CB 1.731 41 residues pruned to eliminate duplicates Z: 25 86.870 2.566 1.326 0.956 1.000 0.750 C 2.041 25 residues pruned to eliminate duplicates Z: 59 62.852 2.371 0.976 0.612 0.879 0.638 CB 1.801 59 residues pruned to eliminate duplicates Z: 62 67.283 2.367 1.057 0.601 0.918 0.639 CB 1.750 62 residues pruned to eliminate duplicates Z: 34 50.622 2.401 0.717 0.667 0.970 0.727 CB 1.890 34 residues pruned to eliminate duplicates Z: 12 10.774 2.003 0.736 0.449 0.909 0.727 CB 1.083 Z: 6 8.967 1.710 0.314 0.750 1.000 0.400 C 1.429 6 residues pruned to eliminate duplicates Z: 11 28.639 2.089 1.520 0.628 1.000 0.700 CB 1.524 11 residues pruned to eliminate duplicates Z: 10 20.676 2.408 0.695 0.600 0.889 0.778 CB 1.727 10 residues pruned to eliminate duplicates Z: 20 34.549 2.425 0.997 0.434 0.947 0.474 CB 1.849 20 residues pruned to eliminate duplicates Z: 63 83.193 2.470 1.166 0.668 0.919 0.694 CB 1.839 63 residues pruned to eliminate duplicates Z: 38 22.048 1.732 0.781 0.677 0.946 0.703 CB 1.055 38 residues pruned to eliminate duplicates Z: 25 74.931 2.477 1.299 0.949 1.000 0.917 C 1.854 25 residues pruned to eliminate duplicates Z: 42 57.110 2.320 0.932 0.677 0.976 0.707 CB 1.733 42 residues pruned to eliminate duplicates Z: 10 23.521 2.059 0.687 0.789 1.000 0.889 C 1.751 10 residues pruned to eliminate duplicates Z: 76 79.561 2.391 1.081 0.639 0.933 0.720 CB 1.737 76 residues pruned to eliminate duplicates Z: 41 43.986 2.272 0.777 0.591 0.950 0.775 CB 1.661 41 residues pruned to eliminate duplicates 8 1.832 1.432 0.484 0.325 0.714 0.714 CB 0.553 ? Z: 16 22.132 2.109 1.007 0.519 0.867 0.600 CB 1.529 16 residues pruned to eliminate duplicates Z: 75 56.117 2.280 0.786 0.604 0.892 0.622 CB 1.627 75 residues pruned to eliminate duplicates Z: 62 68.847 2.339 1.057 0.649 0.902 0.689 CB 1.768 62 residues pruned to eliminate duplicates Z: 14 17.134 2.167 0.480 0.626 0.846 0.615 CB 1.555 14 residues pruned to eliminate duplicates Z: 13 24.239 2.090 0.771 0.701 1.000 0.750 CA 1.574 13 residues pruned to eliminate duplicates Z: 36 48.837 2.318 0.865 0.669 0.943 0.800 CB 1.732 36 residues pruned to eliminate duplicates Z: 13 19.048 2.319 0.594 0.438 1.000 0.750 CB 1.586 13 residues pruned to eliminate duplicates Z: 6 4.133 1.488 -0.044 0.730 1.000 0.600 N 1.057 Z: 37 57.030 2.420 0.829 0.680 0.972 0.722 CB 1.871 37 residues pruned to eliminate duplicates Z: 37 53.804 2.354 0.728 0.727 1.000 0.833 CB 1.797 37 residues pruned to eliminate duplicates Z: 62 68.280 2.380 1.120 0.645 0.902 0.656 CB 1.679 62 residues pruned to eliminate duplicates Z: 33 24.035 1.721 0.868 0.722 0.969 0.688 CB 1.117 33 residues pruned to eliminate duplicates Z: 6 5.414 1.608 0.298 0.682 0.800 0.200 C 1.226 6 residues pruned to eliminate duplicates Z: 36 16.374 1.587 0.636 0.609 0.914 0.543 CB 1.051 36 residues pruned to eliminate duplicates Z: 7 17.089 2.193 0.682 0.767 1.000 0.833 CB 1.493 7 residues pruned to eliminate duplicates Z: 52 48.374 2.370 0.902 0.462 0.882 0.431 CB 1.770 52 residues pruned to eliminate duplicates Z: 50 65.818 2.416 0.952 0.666 0.980 0.735 CB 1.746 50 residues pruned to eliminate duplicates Z: 7 17.637 2.204 0.576 0.858 1.000 0.833 CA 1.526 7 residues pruned to eliminate duplicates Z: 36 25.553 2.159 0.669 0.442 0.914 0.686 CB 1.392 36 residues pruned to eliminate duplicates Z: 70 62.341 2.339 0.949 0.573 0.899 0.609 CB 1.707 70 residues pruned to eliminate duplicates Z: 49 70.329 2.430 1.190 0.733 0.875 0.667 CB 1.768 49 residues pruned to eliminate duplicates Z: 42 55.030 2.373 0.748 0.673 1.000 0.829 CB 1.766 42 residues pruned to eliminate duplicates Z: 40 28.951 2.234 0.640 0.430 0.872 0.410 CB 1.561 40 residues pruned to eliminate duplicates Z: 25 72.471 2.457 1.265 0.937 1.000 0.875 C 1.850 25 residues pruned to eliminate duplicates Z: 17 26.386 2.142 0.937 0.626 0.938 0.688 CB 1.506 17 residues pruned to eliminate duplicates Z: 106 98.272 2.408 0.962 0.674 0.971 0.752 CB 1.779 106 residues pruned to eliminate duplicates Z: 14 50.098 2.330 1.173 0.945 1.000 0.692 C 1.900 14 residues pruned to eliminate duplicates Z: 106 87.769 2.383 0.889 0.620 0.962 0.686 CB 1.767 106 residues pruned to eliminate duplicates Z: 35 56.085 2.369 0.890 0.688 0.971 0.676 CB 1.863 35 residues pruned to eliminate duplicates Z: 15 22.596 2.130 0.896 0.556 0.929 0.857 CB 1.525 27 residues pruned to eliminate duplicates Z: 11 21.796 2.080 0.971 0.601 0.900 0.600 CB 1.695 11 residues pruned to eliminate duplicates Z: 28 48.294 2.397 1.090 0.707 0.889 0.852 CB 1.729 28 residues pruned to eliminate duplicates Z: 62 61.072 2.349 0.740 0.623 0.951 0.803 CB 1.791 62 residues pruned to eliminate duplicates Z: 24 70.619 2.437 1.121 0.931 1.000 0.913 CB 1.991 24 residues pruned to eliminate duplicates Z: 66 69.490 2.374 1.058 0.593 0.938 0.677 CB 1.720 66 residues pruned to eliminate duplicates Z: 7 5.881 1.513 0.863 0.723 0.833 0.833 N 0.836 Z: 30 35.981 2.429 0.797 0.485 0.828 0.552 C 1.877 30 residues pruned to eliminate duplicates Z: 18 28.100 2.355 0.900 0.488 0.882 0.471 C 1.747 18 residues pruned to eliminate duplicates Z: 24 28.866 2.178 0.694 0.612 0.913 0.739 CB 1.606 24 residues pruned to eliminate duplicates Z: 88 85.479 2.434 0.906 0.616 0.989 0.736 CB 1.790 88 residues pruned to eliminate duplicates Z: 26 72.538 2.488 1.061 0.948 1.000 0.840 CB 1.955 26 residues pruned to eliminate duplicates Z: 7 7.913 1.531 0.397 0.877 1.000 0.833 CB 1.097 7 residues pruned to eliminate duplicates Z: 75 57.509 2.254 0.854 0.600 0.919 0.676 CB 1.583 75 residues pruned to eliminate duplicates Z: 38 55.949 2.406 0.817 0.682 0.973 0.703 CB 1.831 38 residues pruned to eliminate duplicates Z: 15 32.211 2.344 0.547 0.818 1.000 0.786 CB 1.802 15 residues pruned to eliminate duplicates Z: 51 51.997 2.278 0.763 0.600 0.980 0.720 CB 1.698 51 residues pruned to eliminate duplicates Z: 8 17.972 1.919 0.634 0.883 1.000 0.857 N 1.566 8 residues pruned to eliminate duplicates Z: 26 75.690 2.544 1.252 0.816 1.000 0.840 CB 2.008 26 residues pruned to eliminate duplicates Z: 14 22.758 2.165 0.888 0.627 0.846 0.692 C 1.620 14 residues pruned to eliminate duplicates Z: 83 65.498 2.306 0.959 0.576 0.927 0.634 CB 1.605 83 residues pruned to eliminate duplicates Z: 55 66.988 2.340 1.137 0.693 0.926 0.704 CB 1.649 56 residues pruned to eliminate duplicates Z: 12 12.538 1.866 0.597 0.467 1.000 0.636 CB 1.312 12 residues pruned to eliminate duplicates Z: 27 34.108 2.159 0.972 0.580 0.923 0.731 CB 1.576 27 residues pruned to eliminate duplicates Z: 25 23.234 2.035 0.706 0.537 0.958 0.708 CB 1.375 25 residues pruned to eliminate duplicates Z: 11 24.588 2.334 0.816 0.570 1.000 0.800 CB 1.715 11 residues pruned to eliminate duplicates Z: 36 52.884 2.364 0.746 0.694 0.971 0.714 CB 1.867 36 residues pruned to eliminate duplicates Z: 29 52.266 2.290 0.983 0.685 1.000 0.750 C 1.835 29 residues pruned to eliminate duplicates Z: 11 10.685 1.873 0.524 0.438 0.900 0.400 CB 1.402 11 residues pruned to eliminate duplicates Z: 85 74.584 2.386 0.918 0.580 0.952 0.619 CB 1.728 85 residues pruned to eliminate duplicates Z: 27 31.243 2.323 0.888 0.420 0.885 0.462 CB 1.718 27 residues pruned to eliminate duplicates Z: 8 4.606 1.361 0.228 0.910 1.000 1.000 CB 0.738 8 residues pruned to eliminate duplicates Z: 34 34.619 1.997 0.841 0.665 0.939 0.697 C 1.498 34 residues pruned to eliminate duplicates Z: 11 25.011 2.372 0.775 0.483 1.000 0.700 CB 1.910 11 residues pruned to eliminate duplicates Z: 18 22.982 2.005 0.828 0.506 0.941 0.706 C 1.605 18 residues pruned to eliminate duplicates Z: 10 13.672 1.986 0.299 0.808 0.889 0.778 C 1.519 10 residues pruned to eliminate duplicates Z: 22 34.127 2.182 0.770 0.667 0.952 0.762 CB 1.735 22 residues pruned to eliminate duplicates Z: 45 46.585 2.341 0.893 0.542 0.886 0.682 CB 1.716 45 residues pruned to eliminate duplicates Z: 25 35.677 2.249 0.813 0.667 0.917 0.875 CB 1.670 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 5.869 1.390 0.269 0.847 0.929 0.786 CB 0.711 15 residues pruned to eliminate duplicates Z: 21 8.815 1.501 0.342 0.719 0.950 0.750 CB 0.845 21 residues pruned to eliminate duplicates Z: 21 10.224 1.501 0.402 0.726 1.000 0.700 CB 0.886 21 residues pruned to eliminate duplicates Z: 14 6.643 1.330 0.408 0.908 1.000 0.846 CB 0.698 14 residues pruned to eliminate duplicates Z: 38 25.074 1.732 0.636 0.677 1.000 0.757 CB 1.236 38 residues pruned to eliminate duplicates Z: 14 7.367 1.355 0.513 0.913 1.000 0.846 CB 0.706 14 residues pruned to eliminate duplicates Z: 34 19.687 1.722 0.631 0.677 1.000 0.758 CB 1.036 34 residues pruned to eliminate duplicates Z: 37 25.436 1.810 0.817 0.679 0.944 0.722 CB 1.158 37 residues pruned to eliminate duplicates Z: 14 7.851 1.314 0.556 0.923 1.000 0.846 CB 0.749 14 residues pruned to eliminate duplicates Z: 32 16.306 1.576 0.581 0.687 0.968 0.645 CB 1.023 32 residues pruned to eliminate duplicates Z: 19 7.422 1.396 0.594 0.690 0.944 0.667 CB 0.699 19 residues pruned to eliminate duplicates Z: 32 15.372 1.570 0.620 0.693 0.968 0.581 CB 0.940 32 residues pruned to eliminate duplicates Z: 33 23.472 1.800 0.780 0.686 0.938 0.656 CB 1.165 33 residues pruned to eliminate duplicates Z: 37 25.206 1.791 0.809 0.681 0.972 0.722 CB 1.130 37 residues pruned to eliminate duplicates Z: 21 9.551 1.372 0.497 0.806 0.950 0.400 CB 0.838 21 residues pruned to eliminate duplicates Z: 38 26.372 1.751 0.797 0.662 1.000 0.622 CB 1.186 37 residues pruned to eliminate duplicates Z: 6 6.723 1.619 0.379 0.801 1.000 0.600 CB 1.035 6 residues pruned to eliminate duplicates Z: 19 17.256 1.781 0.799 0.633 0.944 0.722 CB 1.187 19 residues pruned to eliminate duplicates Z: 22 23.178 1.908 0.877 0.612 0.952 0.714 CB 1.333 22 residues pruned to eliminate duplicates Z: 17 26.822 2.169 0.911 0.647 0.938 0.812 CB 1.504 17 residues pruned to eliminate duplicates Z: 24 24.293 1.904 0.812 0.674 0.957 0.696 CB 1.307 24 residues pruned to eliminate duplicates Z: 33 27.142 1.784 0.930 0.706 0.969 0.656 CB 1.193 35 residues pruned to eliminate duplicates Z: 7 7.161 1.739 0.300 0.415 1.000 0.167 C 1.414 7 residues pruned to eliminate duplicates Z: 24 26.441 1.920 0.754 0.690 1.000 0.739 CB 1.377 24 residues pruned to eliminate duplicates Z: 18 23.363 2.062 0.843 0.563 0.941 0.529 CB 1.491 18 residues pruned to eliminate duplicates Z: 33 25.092 1.808 0.824 0.688 0.969 0.688 CB 1.168 33 residues pruned to eliminate duplicates Z: 37 27.768 1.781 0.893 0.688 1.000 0.722 CB 1.156 37 residues pruned to eliminate duplicates Z: 46 33.253 1.933 0.914 0.616 0.933 0.644 CB 1.286 46 residues pruned to eliminate duplicates Z: 6 4.809 1.680 0.998 0.335 0.800 0.200 CB 0.959 6 residues pruned to eliminate duplicates Z: 40 38.980 2.331 0.921 0.410 0.923 0.513 CB 1.659 40 residues pruned to eliminate duplicates Z: 41 36.779 2.236 0.950 0.422 0.875 0.525 CB 1.653 41 residues pruned to eliminate duplicates Z: 41 33.198 2.251 0.839 0.364 0.875 0.450 CB 1.677 41 residues pruned to eliminate duplicates Z: 41 35.806 2.267 0.846 0.410 0.900 0.450 CB 1.652 41 residues pruned to eliminate duplicates Z: 12 21.048 2.256 1.000 0.434 0.818 0.545 C 1.840 12 residues pruned to eliminate duplicates Z: 25 25.167 2.300 1.101 0.390 0.792 0.458 CB 1.508 25 residues pruned to eliminate duplicates Z: 19 15.888 2.147 0.628 0.322 0.889 0.556 CB 1.466 19 residues pruned to eliminate duplicates Z: 13 16.939 2.290 0.710 0.484 0.833 0.667 CB 1.523 13 residues pruned to eliminate duplicates Z: 41 30.965 2.241 0.832 0.374 0.800 0.500 CB 1.706 41 residues pruned to eliminate duplicates Z: 14 8.089 1.711 0.701 0.506 0.846 0.538 CB 0.906 14 residues pruned to eliminate duplicates Z: 146 97.013 2.393 0.951 0.584 0.910 0.676 CB 1.749 146 residues pruned to eliminate duplicates Z: 83 70.149 2.351 1.009 0.565 0.902 0.610 CB 1.706 83 residues pruned to eliminate duplicates Z: 42 31.825 2.203 0.765 0.365 0.878 0.488 CB 1.682 42 residues pruned to eliminate duplicates Z: 44 29.678 2.026 0.899 0.508 0.907 0.628 CB 1.287 44 residues pruned to eliminate duplicates Z: 33 28.521 2.130 0.776 0.417 0.906 0.469 CB 1.604 33 residues pruned to eliminate duplicates Z: 41 30.217 2.257 0.835 0.349 0.825 0.450 CB 1.647 41 residues pruned to eliminate duplicates Z: 26 25.144 2.268 0.742 0.365 0.840 0.480 CB 1.752 26 residues pruned to eliminate duplicates Z: 27 25.626 2.153 0.819 0.397 0.885 0.462 CB 1.616 27 residues pruned to eliminate duplicates Z: 175 100.053 2.285 0.910 0.611 0.960 0.701 CB 1.630 175 residues pruned to eliminate duplicates Z: 41 30.691 2.256 0.836 0.356 0.850 0.475 CB 1.611 41 residues pruned to eliminate duplicates Z: 22 22.547 2.267 0.711 0.354 0.857 0.381 CB 1.734 22 residues pruned to eliminate duplicates Z: 21 24.177 2.344 0.751 0.331 0.850 0.400 C 1.866 21 residues pruned to eliminate duplicates Z: 141 89.882 2.342 0.894 0.554 0.950 0.671 CB 1.710 141 residues pruned to eliminate duplicates Z: 83 66.816 2.311 0.952 0.550 0.915 0.598 CB 1.704 83 residues pruned to eliminate duplicates Z: 18 33.318 2.428 0.836 0.576 0.882 0.529 CB 1.909 18 residues pruned to eliminate duplicates Z: 22 29.724 2.288 1.089 0.433 0.810 0.381 CB 1.798 22 residues pruned to eliminate duplicates Z: 13 14.873 2.461 0.744 0.222 0.750 0.083 CB 1.847 13 residues pruned to eliminate duplicates Z: 22 29.293 2.264 0.922 0.425 0.905 0.429 CB 1.756 22 residues pruned to eliminate duplicates Z: 33 33.814 2.313 0.867 0.359 0.875 0.375 CB 1.842 33 residues pruned to eliminate duplicates Z: 59 77.650 2.465 1.026 0.661 0.948 0.724 CB 1.854 59 residues pruned to eliminate duplicates Z: 21 30.133 2.431 0.999 0.443 0.850 0.500 CB 1.731 21 residues pruned to eliminate duplicates Z: 107 90.601 2.446 1.015 0.620 0.896 0.717 CB 1.778 107 residues pruned to eliminate duplicates Z: 13 17.292 2.452 0.886 0.188 0.833 0.083 CB 1.882 13 residues pruned to eliminate duplicates Z: 61 75.537 2.427 1.001 0.644 0.950 0.700 CB 1.848 61 residues pruned to eliminate duplicates Z: 125 100.530 2.409 0.949 0.621 0.960 0.734 CB 1.787 125 residues pruned to eliminate duplicates Z: 59 74.499 2.426 1.004 0.647 0.966 0.707 CB 1.817 59 residues pruned to eliminate duplicates Z: 12 10.045 2.248 0.824 0.169 0.727 0.000 CB 1.519 12 residues pruned to eliminate duplicates Z: 58 64.960 2.441 0.997 0.608 0.912 0.632 CB 1.747 58 residues pruned to eliminate duplicates Z: 60 74.349 2.435 1.034 0.664 0.915 0.746 CB 1.835 60 residues pruned to eliminate duplicates Z: 124 97.947 2.428 0.887 0.623 0.959 0.691 CB 1.789 124 residues pruned to eliminate duplicates Z: 35 35.862 2.432 0.949 0.433 0.794 0.471 CB 1.751 35 residues pruned to eliminate duplicates Z: 89 84.749 2.414 1.033 0.593 0.955 0.659 CB 1.764 89 residues pruned to eliminate duplicates Z: 61 71.939 2.404 0.995 0.667 0.900 0.700 CB 1.844 61 residues pruned to eliminate duplicates Z: 117 87.679 2.421 0.883 0.598 0.914 0.681 CB 1.780 117 residues pruned to eliminate duplicates Z: 106 95.821 2.391 0.983 0.676 0.962 0.743 CB 1.742 106 residues pruned to eliminate duplicates Z: 168 112.528 2.394 0.912 0.617 0.964 0.671 CB 1.766 168 residues pruned to eliminate duplicates Z: 107 99.882 2.407 0.989 0.643 1.000 0.717 CB 1.773 107 residues pruned to eliminate duplicates Z: 133 95.232 2.364 0.927 0.588 0.962 0.682 CB 1.739 133 residues pruned to eliminate duplicates Z: 106 105.768 2.409 1.044 0.681 0.990 0.771 CB 1.792 106 residues pruned to eliminate duplicates Z: 117 103.037 2.414 1.067 0.619 0.974 0.716 CB 1.759 117 residues pruned to eliminate duplicates Z: 124 103.448 2.431 1.016 0.626 0.951 0.707 CB 1.776 124 residues pruned to eliminate duplicates Z: 90 81.190 2.386 1.102 0.580 0.910 0.607 CB 1.746 90 residues pruned to eliminate duplicates Z: 127 99.267 2.368 0.950 0.624 0.952 0.683 CB 1.790 127 residues pruned to eliminate duplicates Z: 47 64.432 2.371 1.139 0.678 0.913 0.674 CB 1.742 47 residues pruned to eliminate duplicates Z: 124 98.579 2.420 0.943 0.618 0.935 0.650 CB 1.808 124 residues pruned to eliminate duplicates Z: 136 104.842 2.414 1.002 0.620 0.933 0.689 CB 1.785 136 residues pruned to eliminate duplicates Z: 89 88.011 2.427 1.127 0.601 0.932 0.682 CB 1.771 89 residues pruned to eliminate duplicates Z: 40 65.140 2.344 1.100 0.763 0.949 0.821 CB 1.768 40 residues pruned to eliminate duplicates Z: 124 84.728 2.338 0.963 0.598 0.919 0.659 CB 1.651 124 residues pruned to eliminate duplicates Z: 106 92.994 2.405 0.943 0.668 0.952 0.762 CB 1.747 106 residues pruned to eliminate duplicates Z: 145 97.052 2.373 0.925 0.581 0.951 0.660 CB 1.723 145 residues pruned to eliminate duplicates Z: 125 103.249 2.421 1.004 0.629 0.952 0.661 CB 1.779 125 residues pruned to eliminate duplicates Z: 31 58.274 2.321 1.228 0.830 0.900 0.833 C 1.720 31 residues pruned to eliminate duplicates Z: 100 81.040 2.389 1.045 0.571 0.899 0.596 CB 1.733 100 residues pruned to eliminate duplicates Z: 68 78.191 2.369 1.095 0.645 0.955 0.746 CB 1.760 68 residues pruned to eliminate duplicates Z: 179 110.958 2.377 0.927 0.597 0.933 0.669 CB 1.775 179 residues pruned to eliminate duplicates Z: 42 70.960 2.343 1.258 0.771 0.927 0.732 C 1.778 42 residues pruned to eliminate duplicates Z: 103 80.020 2.338 1.099 0.563 0.912 0.618 CB 1.666 103 residues pruned to eliminate duplicates Z: 60 75.355 2.432 1.096 0.655 0.915 0.661 CB 1.820 60 residues pruned to eliminate duplicates Z: 41 76.431 2.383 1.319 0.761 0.975 0.825 CB 1.779 41 residues pruned to eliminate duplicates Z: 66 79.124 2.440 1.136 0.626 0.892 0.723 CB 1.874 192 residues pruned to eliminate duplicates Z: 70 63.156 2.275 1.032 0.599 0.884 0.594 CB 1.693 70 residues pruned to eliminate duplicates Z: 109 78.839 2.355 0.997 0.547 0.898 0.611 CB 1.716 109 residues pruned to eliminate duplicates Z: 88 88.002 2.432 1.112 0.587 0.954 0.678 CB 1.771 88 residues pruned to eliminate duplicates Z: 124 106.396 2.435 0.987 0.641 0.959 0.691 CB 1.810 124 residues pruned to eliminate duplicates Z: 75 65.798 2.374 0.792 0.578 0.973 0.743 CB 1.715 75 residues pruned to eliminate duplicates Z: 86 83.505 2.447 1.079 0.612 0.918 0.682 CB 1.744 86 residues pruned to eliminate duplicates Z: 74 65.402 2.243 1.024 0.601 0.932 0.658 CB 1.644 74 residues pruned to eliminate duplicates Z: 125 101.147 2.421 0.964 0.632 0.944 0.718 CB 1.789 125 residues pruned to eliminate duplicates Z: 124 106.212 2.431 0.969 0.632 0.976 0.724 CB 1.811 124 residues pruned to eliminate duplicates Z: 72 71.707 2.410 0.865 0.597 0.986 0.718 CB 1.751 72 residues pruned to eliminate duplicates Z: 125 102.083 2.411 0.984 0.619 0.952 0.661 CB 1.798 125 residues pruned to eliminate duplicates Z: 124 104.091 2.437 0.979 0.625 0.967 0.715 CB 1.788 124 residues pruned to eliminate duplicates Z: 125 105.611 2.424 0.980 0.633 0.976 0.677 CB 1.787 125 residues pruned to eliminate duplicates Z: 110 92.944 2.385 1.004 0.608 0.954 0.725 CB 1.762 110 residues pruned to eliminate duplicates Z: 145 93.871 2.364 0.934 0.570 0.924 0.660 CB 1.731 145 residues pruned to eliminate duplicates Z: 105 102.135 2.424 0.981 0.683 0.981 0.808 CB 1.797 105 residues pruned to eliminate duplicates Z: 70 77.597 2.362 1.153 0.648 0.928 0.855 CB 1.725 70 residues pruned to eliminate duplicates Z: 105 94.149 2.408 0.940 0.673 0.952 0.769 CB 1.769 105 residues pruned to eliminate duplicates Z: 76 82.514 2.429 1.143 0.619 0.947 0.680 CB 1.727 76 residues pruned to eliminate duplicates Z: 89 82.598 2.402 1.058 0.590 0.943 0.659 CB 1.732 89 residues pruned to eliminate duplicates Z: 125 99.782 2.416 0.930 0.615 0.968 0.702 CB 1.781 125 residues pruned to eliminate duplicates Z: 145 104.958 2.386 1.002 0.594 0.951 0.667 CB 1.759 145 residues pruned to eliminate duplicates Z: 123 101.996 2.439 0.971 0.629 0.951 0.721 CB 1.789 123 residues pruned to eliminate duplicates Z: 72 69.715 2.397 0.874 0.596 0.972 0.775 CB 1.730 72 residues pruned to eliminate duplicates Z: 139 94.447 2.358 0.876 0.605 0.957 0.667 CB 1.720 139 residues pruned to eliminate duplicates Z: 145 102.061 2.387 1.006 0.582 0.951 0.639 CB 1.726 145 residues pruned to eliminate duplicates Z: 111 91.619 2.402 0.940 0.629 0.945 0.727 CB 1.756 111 residues pruned to eliminate duplicates Z: 88 85.113 2.414 1.042 0.599 0.954 0.713 CB 1.765 88 residues pruned to eliminate duplicates Z: 108 99.619 2.391 1.005 0.663 0.963 0.738 CB 1.795 108 residues pruned to eliminate duplicates Z: 89 87.975 2.407 1.095 0.615 0.943 0.670 CB 1.768 89 residues pruned to eliminate duplicates Z: 124 103.093 2.431 0.962 0.633 0.959 0.707 CB 1.794 124 residues pruned to eliminate duplicates Z: 145 94.826 2.359 0.923 0.572 0.938 0.639 CB 1.733 145 residues pruned to eliminate duplicates Z: 107 98.252 2.382 1.013 0.652 0.972 0.745 CB 1.778 107 residues pruned to eliminate duplicates Z: 134 104.493 2.441 0.985 0.624 0.940 0.692 CB 1.770 134 residues pruned to eliminate duplicates Z: 41 52.092 2.362 0.672 0.670 0.975 0.775 CB 1.828 41 residues pruned to eliminate duplicates Z: 44 52.641 2.353 0.626 0.671 0.977 0.744 CB 1.835 44 residues pruned to eliminate duplicates Z: 42 57.213 2.365 0.810 0.683 0.976 0.829 CB 1.808 42 residues pruned to eliminate duplicates Z: 60 56.993 2.359 0.673 0.608 0.949 0.797 CB 1.787 60 residues pruned to eliminate duplicates Z: 45 48.553 2.342 0.702 0.614 0.932 0.750 CB 1.770 45 residues pruned to eliminate duplicates Z: 60 50.764 2.293 0.702 0.545 0.932 0.780 CB 1.738 60 residues pruned to eliminate duplicates Z: 42 53.346 2.376 0.652 0.671 1.000 0.805 CB 1.812 42 residues pruned to eliminate duplicates Z: 61 62.197 2.342 0.781 0.607 0.983 0.733 CB 1.767 61 residues pruned to eliminate duplicates Z: 44 51.081 2.321 0.758 0.635 0.953 0.744 CB 1.764 44 residues pruned to eliminate duplicates Z: 77 89.965 2.393 0.985 0.720 0.947 0.763 CB 1.879 77 residues pruned to eliminate duplicates Z: 41 51.113 2.383 0.766 0.640 0.950 0.650 CB 1.774 41 residues pruned to eliminate duplicates Z: 41 55.697 2.398 0.785 0.684 0.950 0.775 CB 1.828 41 residues pruned to eliminate duplicates Z: 41 53.741 2.381 0.832 0.655 0.950 0.775 CB 1.776 41 residues pruned to eliminate duplicates Z: 43 54.867 2.367 0.812 0.645 0.952 0.714 CB 1.810 43 residues pruned to eliminate duplicates Z: 42 54.622 2.338 0.762 0.644 1.000 0.707 CB 1.810 42 residues pruned to eliminate duplicates Z: 41 58.477 2.413 0.815 0.680 1.000 0.800 CB 1.789 41 residues pruned to eliminate duplicates Z: 180 99.720 2.272 0.948 0.611 0.939 0.704 CB 1.614 180 residues pruned to eliminate duplicates Z: 37 56.732 2.370 0.755 0.703 1.000 0.806 CB 1.889 37 residues pruned to eliminate duplicates Z: 59 57.539 2.337 0.823 0.582 0.931 0.741 CB 1.761 59 residues pruned to eliminate duplicates Z: 126 100.797 2.391 1.000 0.617 0.960 0.704 CB 1.758 126 residues pruned to eliminate duplicates Z: 42 53.465 2.345 0.822 0.642 0.951 0.707 CB 1.799 42 residues pruned to eliminate duplicates Z: 42 54.010 2.370 0.756 0.651 1.000 0.732 CB 1.760 42 residues pruned to eliminate duplicates Z: 44 52.849 2.327 0.737 0.640 0.977 0.767 CB 1.791 44 residues pruned to eliminate duplicates Z: 44 55.860 2.367 0.722 0.657 0.977 0.791 CB 1.850 44 residues pruned to eliminate duplicates Z: 44 60.826 2.397 0.776 0.673 0.977 0.698 CB 1.901 44 residues pruned to eliminate duplicates Z: 42 51.918 2.367 0.697 0.652 0.976 0.707 CB 1.795 42 residues pruned to eliminate duplicates Z: 79 64.842 2.305 0.797 0.568 0.962 0.718 CB 1.725 79 residues pruned to eliminate duplicates Z: 48 46.251 2.299 0.736 0.582 0.915 0.745 CB 1.707 48 residues pruned to eliminate duplicates Z: 42 55.439 2.366 0.871 0.647 0.951 0.780 CB 1.792 42 residues pruned to eliminate duplicates Z: 49 55.263 2.351 0.826 0.611 0.958 0.729 CB 1.744 49 residues pruned to eliminate duplicates Z: 44 61.415 2.388 0.804 0.700 0.977 0.767 CB 1.855 44 residues pruned to eliminate duplicates Z: 41 57.879 2.407 0.848 0.691 0.975 0.825 CB 1.772 41 residues pruned to eliminate duplicates Z: 125 106.003 2.402 0.997 0.640 0.976 0.750 CB 1.784 125 residues pruned to eliminate duplicates Z: 41 59.016 2.398 0.849 0.677 0.950 0.750 CB 1.881 41 residues pruned to eliminate duplicates Z: 40 55.515 2.401 0.706 0.686 0.974 0.744 CB 1.878 40 residues pruned to eliminate duplicates Z: 61 50.919 2.218 0.733 0.641 0.933 0.717 CB 1.605 61 residues pruned to eliminate duplicates Z: 84 76.182 2.364 0.762 0.651 0.988 0.771 CB 1.764 84 residues pruned to eliminate duplicates Z: 83 69.479 2.357 0.667 0.630 0.976 0.744 CB 1.772 83 residues pruned to eliminate duplicates Z: 82 75.268 2.408 0.729 0.663 0.963 0.765 CB 1.793 82 residues pruned to eliminate duplicates Z: 17 16.692 2.049 0.730 0.444 0.938 0.625 CB 1.330 17 residues pruned to eliminate duplicates Z: 50 57.654 2.350 0.867 0.641 0.980 0.755 CB 1.679 50 residues pruned to eliminate duplicates Z: 51 50.976 2.311 0.729 0.600 0.960 0.740 CB 1.708 51 residues pruned to eliminate duplicates Z: 42 50.399 2.334 0.825 0.638 0.951 0.780 CB 1.707 42 residues pruned to eliminate duplicates Z: 51 48.355 2.313 0.708 0.588 0.960 0.700 CB 1.656 51 residues pruned to eliminate duplicates Z: 43 51.785 2.304 0.845 0.632 0.952 0.786 CB 1.743 43 residues pruned to eliminate duplicates Z: 51 54.814 2.348 0.834 0.609 0.960 0.740 CB 1.692 51 residues pruned to eliminate duplicates Z: 53 53.663 2.298 0.875 0.614 0.942 0.788 CB 1.645 53 residues pruned to eliminate duplicates Z: 44 56.423 2.288 0.947 0.611 1.000 0.698 CB 1.738 44 residues pruned to eliminate duplicates Z: 51 62.783 2.365 0.940 0.635 0.980 0.760 CB 1.740 51 residues pruned to eliminate duplicates Z: 43 52.747 2.311 0.871 0.619 0.976 0.762 CB 1.723 43 residues pruned to eliminate duplicates Z: 109 80.393 2.341 0.912 0.603 0.917 0.704 CB 1.710 109 residues pruned to eliminate duplicates Z: 41 61.762 2.433 0.880 0.677 0.975 0.800 CB 1.861 41 residues pruned to eliminate duplicates Z: 25 33.960 2.199 0.713 0.670 0.917 0.667 CB 1.716 25 residues pruned to eliminate duplicates Z: 40 56.312 2.422 0.871 0.644 0.974 0.769 CB 1.784 40 residues pruned to eliminate duplicates Z: 81 73.748 2.380 0.760 0.640 0.975 0.788 CB 1.771 81 residues pruned to eliminate duplicates Z: 41 57.664 2.401 0.890 0.636 0.950 0.750 CB 1.861 41 residues pruned to eliminate duplicates Z: 44 52.684 2.309 0.888 0.640 0.953 0.721 CB 1.696 44 residues pruned to eliminate duplicates Z: 51 57.375 2.341 0.919 0.592 0.960 0.760 CB 1.723 51 residues pruned to eliminate duplicates Z: 53 61.443 2.288 0.981 0.595 1.000 0.769 CB 1.716 53 residues pruned to eliminate duplicates Z: 53 55.213 2.283 0.901 0.583 0.962 0.750 CB 1.693 53 residues pruned to eliminate duplicates Z: 100 78.950 2.352 0.934 0.614 0.919 0.687 CB 1.703 100 residues pruned to eliminate duplicates Z: 43 56.783 2.328 0.906 0.641 0.952 0.667 CB 1.817 43 residues pruned to eliminate duplicates Z: 51 57.064 2.347 0.809 0.610 1.000 0.760 CB 1.713 51 residues pruned to eliminate duplicates Z: 82 83.415 2.405 1.016 0.640 0.926 0.679 CB 1.811 82 residues pruned to eliminate duplicates Z: 36 57.425 2.396 0.917 0.697 0.971 0.800 CB 1.818 36 residues pruned to eliminate duplicates Z: 51 59.022 2.329 0.950 0.613 0.960 0.720 CB 1.721 51 residues pruned to eliminate duplicates Z: 53 56.221 2.268 0.915 0.604 0.981 0.712 CB 1.658 53 residues pruned to eliminate duplicates Z: 42 60.406 2.333 1.055 0.646 0.951 0.707 CB 1.805 42 residues pruned to eliminate duplicates Z: 37 51.923 2.319 0.829 0.675 0.972 0.694 CB 1.785 37 residues pruned to eliminate duplicates Z: 50 55.625 2.322 0.867 0.635 0.959 0.776 CB 1.683 50 residues pruned to eliminate duplicates Z: 41 60.329 2.343 1.049 0.654 0.975 0.725 CB 1.765 41 residues pruned to eliminate duplicates Z: 43 60.773 2.338 1.017 0.652 0.952 0.738 CB 1.812 43 residues pruned to eliminate duplicates Z: 51 67.392 2.360 1.065 0.624 0.980 0.720 CB 1.775 51 residues pruned to eliminate duplicates Z: 53 53.749 2.270 0.843 0.584 0.981 0.769 CB 1.676 53 residues pruned to eliminate duplicates Z: 42 56.424 2.299 1.006 0.659 0.951 0.805 CB 1.733 42 residues pruned to eliminate duplicates Z: 43 55.790 2.293 0.936 0.637 0.976 0.762 CB 1.747 43 residues pruned to eliminate duplicates Z: 37 59.770 2.324 0.985 0.735 0.972 0.750 CB 1.798 37 residues pruned to eliminate duplicates Z: 44 63.341 2.375 0.918 0.677 0.977 0.837 CB 1.844 44 residues pruned to eliminate duplicates Z: 37 57.937 2.469 0.819 0.672 0.944 0.694 CB 1.943 Z: 6 2.821 1.522 0.717 0.156 0.800 0.200 C 0.920 6 residues pruned to eliminate duplicates Z: 39 57.054 2.391 0.813 0.687 0.974 0.658 CB 1.848 38 residues pruned to eliminate duplicates Z: 16 37.741 2.407 0.539 0.837 1.000 0.867 C 1.968 16 residues pruned to eliminate duplicates Z: 38 55.551 2.418 0.765 0.670 0.973 0.649 CB 1.880 38 residues pruned to eliminate duplicates Z: 39 61.117 2.379 0.967 0.666 1.000 0.658 CB 1.817 39 residues pruned to eliminate duplicates Z: 14 40.068 2.368 0.701 0.945 1.000 0.846 C 1.908 14 residues pruned to eliminate duplicates Z: 37 65.403 2.455 1.059 0.676 0.972 0.667 CB 1.887 39 residues pruned to eliminate duplicates Z: 16 44.640 2.196 1.138 0.931 1.000 0.867 CA 1.715 16 residues pruned to eliminate duplicates Z: 38 60.828 2.414 0.944 0.683 0.973 0.649 CB 1.851 37 residues pruned to eliminate duplicates Z: 15 43.240 2.228 1.040 0.937 1.000 1.000 C 1.769 15 residues pruned to eliminate duplicates Z: 98 85.906 2.299 1.040 0.620 0.938 0.660 CB 1.770 135 residues pruned to eliminate duplicates Z: 38 65.390 2.428 1.114 0.662 0.973 0.676 CB 1.853 Z: 17 39.817 2.122 1.079 0.871 0.938 0.812 C 1.755 17 residues pruned to eliminate duplicates Z: 37 68.898 2.438 1.088 0.701 0.972 0.639 CB 1.932 38 residues pruned to eliminate duplicates Z: 15 46.668 2.288 1.057 0.953 1.000 0.714 C 1.824 15 residues pruned to eliminate duplicates Z: 35 59.744 2.396 1.037 0.664 0.971 0.618 CB 1.858 34 residues pruned to eliminate duplicates Z: 22 46.961 2.298 0.902 0.842 0.952 0.810 C 1.835 22 residues pruned to eliminate duplicates Z: 101 89.651 2.422 0.954 0.650 0.940 0.700 CB 1.753 139 residues pruned to eliminate duplicates Z: 37 53.525 2.383 0.975 0.625 0.917 0.667 CB 1.839 Z: 8 16.681 2.138 0.464 0.849 1.000 0.714 CA 1.493 8 residues pruned to eliminate duplicates Z: 38 66.218 2.407 1.103 0.667 0.973 0.676 CB 1.894 38 residues pruned to eliminate duplicates Z: 8 18.168 2.292 0.698 0.601 1.000 0.429 CA 1.603 8 residues pruned to eliminate duplicates Z: 115 88.541 2.395 1.052 0.589 0.921 0.693 CB 1.682 37 residues pruned to eliminate duplicates Z: 6 5.365 1.806 0.700 0.292 0.800 0.600 CB 1.233 6 residues pruned to eliminate duplicates Z: 38 62.576 2.400 1.054 0.655 0.973 0.703 CB 1.857 38 residues pruned to eliminate duplicates Z: 38 67.410 2.411 1.141 0.668 0.973 0.730 CB 1.889 38 residues pruned to eliminate duplicates Z: 39 65.333 2.367 1.194 0.645 0.974 0.658 CB 1.830 39 residues pruned to eliminate duplicates Z: 37 64.201 2.441 1.134 0.655 0.944 0.639 CB 1.883 37 residues pruned to eliminate duplicates Z: 6 4.844 1.581 0.620 0.405 0.800 0.200 CA 1.168 6 residues pruned to eliminate duplicates Z: 11 21.593 2.398 1.005 0.497 0.800 0.700 CB 1.781 11 residues pruned to eliminate duplicates Z: 12 20.432 2.299 1.301 0.456 0.818 0.636 CB 1.489 12 residues pruned to eliminate duplicates Z: 11 27.221 2.420 1.479 0.495 0.800 0.700 CB 1.803 11 residues pruned to eliminate duplicates Z: 11 24.278 2.421 1.198 0.498 0.800 0.700 CB 1.807 11 residues pruned to eliminate duplicates Z: 11 23.990 2.499 1.368 0.505 0.700 0.600 CB 1.822 11 residues pruned to eliminate duplicates Z: 14 18.279 2.259 0.997 0.421 0.692 0.538 C 1.763 14 residues pruned to eliminate duplicates Z: 47 56.836 2.387 1.033 0.593 0.891 0.652 CB 1.773 47 residues pruned to eliminate duplicates Z: 36 34.344 2.349 0.897 0.403 0.857 0.514 CB 1.683 36 residues pruned to eliminate duplicates Z: 8 9.297 1.987 1.326 0.251 0.714 0.571 CA 1.418 8 residues pruned to eliminate duplicates Z: 107 83.058 2.401 0.939 0.579 0.925 0.660 CB 1.737 107 residues pruned to eliminate duplicates Z: 75 71.157 2.394 0.946 0.570 0.946 0.689 CB 1.755 73 residues pruned to eliminate duplicates Z: 8 14.588 1.936 1.034 0.488 1.000 0.714 CB 1.418 8 residues pruned to eliminate duplicates Z: 11 6.241 2.029 0.776 0.186 0.600 0.500 CB 1.330 11 residues pruned to eliminate duplicates Z: 42 25.420 2.183 0.788 0.321 0.829 0.390 CB 1.494 42 residues pruned to eliminate duplicates Z: 82 70.967 2.353 1.020 0.588 0.914 0.667 CB 1.669 75 residues pruned to eliminate duplicates Z: 6 7.045 1.915 0.672 0.402 0.800 0.600 CA 1.364 6 residues pruned to eliminate duplicates Z: 89 63.897 2.353 0.805 0.567 0.909 0.659 CB 1.653 89 residues pruned to eliminate duplicates Z: 75 68.386 2.350 0.944 0.606 0.946 0.676 CB 1.663 75 residues pruned to eliminate duplicates Z: 67 71.492 2.387 1.046 0.612 0.924 0.652 CB 1.753 67 residues pruned to eliminate duplicates Z: 83 64.167 2.383 0.814 0.561 0.915 0.659 CB 1.690 83 residues pruned to eliminate duplicates Z: 31 27.500 2.231 0.826 0.432 0.767 0.567 CB 1.724 31 residues pruned to eliminate duplicates Z: 81 68.389 2.345 0.965 0.606 0.913 0.625 CB 1.644 81 residues pruned to eliminate duplicates Z: 79 74.760 2.380 1.002 0.619 0.949 0.718 CB 1.673 79 residues pruned to eliminate duplicates Z: 83 65.729 2.349 0.931 0.604 0.902 0.659 CB 1.606 83 residues pruned to eliminate duplicates Z: 35 33.116 2.328 0.853 0.414 0.912 0.500 CB 1.580 35 residues pruned to eliminate duplicates Z: 127 91.259 2.359 0.949 0.609 0.929 0.675 CB 1.717 126 residues pruned to eliminate duplicates Z: 7 3.103 1.569 0.439 0.231 0.667 0.000 CB 1.151 7 residues pruned to eliminate duplicates Z: 12 4.302 1.839 0.383 0.175 0.727 0.182 CB 1.039 12 residues pruned to eliminate duplicates Z: 49 59.559 2.404 0.942 0.646 0.917 0.708 CB 1.753 49 residues pruned to eliminate duplicates Z: 14 4.801 1.713 0.529 0.200 0.769 0.154 CB 0.944 14 residues pruned to eliminate duplicates Z: 44 68.818 2.484 0.981 0.717 0.953 0.791 CB 1.838 44 residues pruned to eliminate duplicates Z: 35 30.580 2.339 0.840 0.387 0.882 0.441 CB 1.557 35 residues pruned to eliminate duplicates Z: 45 29.873 2.290 0.612 0.399 0.864 0.477 CB 1.572 45 residues pruned to eliminate duplicates Z: 96 78.982 2.345 0.895 0.646 0.926 0.663 CB 1.718 96 residues pruned to eliminate duplicates Z: 81 68.973 2.353 0.924 0.634 0.925 0.650 CB 1.624 81 residues pruned to eliminate duplicates Z: 8 16.683 2.145 0.470 0.831 1.000 0.286 CB 1.502 8 residues pruned to eliminate duplicates Z: 80 71.391 2.379 0.957 0.635 0.911 0.696 CB 1.668 82 residues pruned to eliminate duplicates Z: 28 63.621 2.381 0.943 0.934 1.000 0.815 CB 1.846 28 residues pruned to eliminate duplicates Z: 54 63.505 2.374 0.926 0.710 0.943 0.736 CB 1.672 54 residues pruned to eliminate duplicates Z: 50 73.199 2.407 1.091 0.747 0.959 0.776 CB 1.737 49 residues pruned to eliminate duplicates Z: 25 77.295 2.562 1.102 0.943 1.000 0.875 CB 2.030 25 residues pruned to eliminate duplicates Z: 75 70.143 2.334 1.003 0.640 0.932 0.689 CB 1.640 75 residues pruned to eliminate duplicates Z: 69 63.523 2.348 0.905 0.595 0.912 0.662 CB 1.725 69 residues pruned to eliminate duplicates Z: 71 73.563 2.413 1.042 0.604 0.943 0.686 CB 1.714 71 residues pruned to eliminate duplicates Z: 103 84.008 2.320 1.025 0.615 0.931 0.706 CB 1.705 103 residues pruned to eliminate duplicates Z: 74 73.461 2.357 1.065 0.627 0.932 0.671 CB 1.683 74 residues pruned to eliminate duplicates Z: 76 67.601 2.311 1.049 0.607 0.893 0.653 CB 1.667 76 residues pruned to eliminate duplicates Z: 67 67.925 2.391 1.000 0.603 0.894 0.621 CB 1.772 67 residues pruned to eliminate duplicates Z: 68 69.313 2.365 0.984 0.628 0.910 0.657 CB 1.758 68 residues pruned to eliminate duplicates Z: 67 70.359 2.368 0.934 0.631 0.939 0.742 CB 1.779 67 residues pruned to eliminate duplicates Z: 79 71.532 2.340 0.976 0.630 0.923 0.641 CB 1.680 79 residues pruned to eliminate duplicates Z: 83 74.351 2.363 1.059 0.617 0.915 0.671 CB 1.652 83 residues pruned to eliminate duplicates Z: 76 71.840 2.320 1.076 0.628 0.933 0.707 CB 1.635 76 residues pruned to eliminate duplicates Z: 76 69.208 2.322 1.014 0.635 0.907 0.693 CB 1.660 76 residues pruned to eliminate duplicates Z: 73 74.391 2.358 1.087 0.641 0.931 0.722 CB 1.678 73 residues pruned to eliminate duplicates Z: 50 78.294 2.365 1.282 0.788 0.939 0.837 CB 1.714 50 residues pruned to eliminate duplicates Z: 89 70.810 2.333 1.098 0.563 0.886 0.636 CB 1.637 89 residues pruned to eliminate duplicates Z: 28 76.606 2.478 1.243 0.872 1.000 0.852 CB 1.934 28 residues pruned to eliminate duplicates Z: 75 70.784 2.336 1.023 0.651 0.919 0.635 CB 1.647 75 residues pruned to eliminate duplicates Z: 86 78.830 2.401 1.084 0.608 0.906 0.612 CB 1.703 87 residues pruned to eliminate duplicates Z: 6 8.543 1.816 0.810 0.399 1.000 0.600 CA 1.293 6 residues pruned to eliminate duplicates Z: 50 78.821 2.379 1.241 0.739 0.980 0.755 CB 1.740 50 residues pruned to eliminate duplicates Z: 40 76.116 2.485 1.276 0.744 0.897 0.795 CB 1.930 40 residues pruned to eliminate duplicates Z: 74 75.464 2.371 1.097 0.648 0.932 0.726 CB 1.661 74 residues pruned to eliminate duplicates Z: 54 63.084 2.362 1.048 0.701 0.887 0.698 CB 1.681 54 residues pruned to eliminate duplicates Z: 77 71.499 2.309 1.042 0.607 0.934 0.658 CB 1.681 77 residues pruned to eliminate duplicates Z: 51 70.025 2.410 1.126 0.744 0.900 0.740 CB 1.725 51 residues pruned to eliminate duplicates Z: 83 68.002 2.346 0.992 0.593 0.915 0.634 CB 1.607 83 residues pruned to eliminate duplicates Z: 72 74.835 2.388 1.099 0.651 0.901 0.746 CB 1.708 72 residues pruned to eliminate duplicates Z: 75 64.241 2.315 0.966 0.631 0.892 0.676 CB 1.627 75 residues pruned to eliminate duplicates Z: 83 66.505 2.327 0.998 0.606 0.866 0.659 CB 1.650 83 residues pruned to eliminate duplicates Z: 84 70.095 2.316 1.035 0.626 0.892 0.627 CB 1.626 84 residues pruned to eliminate duplicates Z: 75 72.175 2.309 1.089 0.640 0.932 0.703 CB 1.636 75 residues pruned to eliminate duplicates Z: 71 70.231 2.315 1.083 0.658 0.900 0.671 CB 1.670 71 residues pruned to eliminate duplicates Z: 23 25.703 2.152 1.017 0.626 0.864 0.636 CB 1.298 23 residues pruned to eliminate duplicates Z: 52 72.467 2.315 1.162 0.744 0.961 0.784 CB 1.697 52 residues pruned to eliminate duplicates Z: 76 63.459 2.343 0.953 0.603 0.893 0.707 CB 1.625 76 residues pruned to eliminate duplicates Z: 75 74.366 2.336 1.055 0.642 0.946 0.689 CB 1.667 75 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 220 B: 123 CC for partial structure against native data = 45.92 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.467, Connect. = 0.764 for dens.mod. cycle 1 = 0.300, Contrast = 0.532, Connect. = 0.790 for dens.mod. cycle 2 = 0.300, Contrast = 0.634, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.640, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.650, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.652, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.656, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.658, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.659, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.659, Connect. = 0.827 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2707 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 550 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 64.518 2.404 0.946 0.931 1.000 0.852 CB 1.855 B: 28 68.804 2.390 1.108 0.918 0.963 0.889 CB 1.925 28 residues pruned to eliminate duplicates C: 24 59.804 2.466 0.907 0.927 0.957 0.913 C 1.942 D: 27 57.653 2.338 0.962 0.924 0.962 0.808 CB 1.800 26 residues pruned to eliminate duplicates E: 27 58.500 2.313 0.990 0.934 1.000 0.962 CB 1.738 27 residues pruned to eliminate duplicates F: 28 62.812 2.411 0.890 0.920 1.000 0.815 CB 1.869 28 residues pruned to eliminate duplicates G: 9 39.069 2.614 0.888 0.896 1.000 1.000 CA 2.004 H: 12 26.458 2.350 1.052 0.459 0.909 0.636 CA 1.898 I: 26 58.614 2.504 0.650 0.954 1.000 1.000 CB 1.951 27 residues pruned to eliminate duplicates J: 24 41.520 2.301 0.629 0.913 0.913 0.826 C 1.790 24 residues pruned to eliminate duplicates K: 12 23.322 2.237 1.462 0.474 0.818 0.545 CB 1.602 13 residues pruned to eliminate duplicates L: 96 87.905 2.359 1.001 0.666 0.916 0.716 CB 1.789 27 residues pruned to eliminate duplicates M: 27 61.301 2.461 0.763 0.931 1.000 0.923 CB 1.936 27 residues pruned to eliminate duplicates N: 9 34.449 2.596 0.775 0.883 1.000 1.000 CA 1.911 9 residues pruned to eliminate duplicates O: 27 55.927 2.336 0.820 0.916 1.000 0.923 CB 1.821 27 residues pruned to eliminate duplicates P: 26 81.390 2.542 1.186 0.959 1.000 0.880 C 2.009 26 residues pruned to eliminate duplicates Q: 26 62.344 2.389 1.044 0.911 0.960 0.800 C 1.885 26 residues pruned to eliminate duplicates R: 22 55.299 2.463 0.779 0.924 1.000 0.952 CB 1.934 22 residues pruned to eliminate duplicates S: 182 95.143 2.242 0.914 0.593 0.950 0.696 CB 1.587 36 residues pruned to eliminate duplicates T: 28 62.487 2.379 0.965 0.900 1.000 0.852 CB 1.837 28 residues pruned to eliminate duplicates U: 27 57.024 2.458 0.734 0.941 0.962 0.808 CB 1.894 27 residues pruned to eliminate duplicates V: 25 63.331 2.434 0.869 0.946 1.000 0.958 CB 1.965 25 residues pruned to eliminate duplicates W: 24 69.928 2.465 1.189 0.934 1.000 0.913 C 1.885 24 residues pruned to eliminate duplicates X: 9 41.330 2.603 1.018 0.906 1.000 1.000 CA 1.979 9 residues pruned to eliminate duplicates Y: 25 64.420 2.476 0.911 0.906 1.000 0.958 C 1.977 25 residues pruned to eliminate duplicates Z: 73 73.536 2.306 1.046 0.649 0.944 0.736 CB 1.693 73 residues pruned to eliminate duplicates Z: 106 70.088 2.253 0.866 0.582 0.924 0.638 CB 1.627 106 residues pruned to eliminate duplicates Z: 39 62.854 2.362 1.120 0.677 0.947 0.684 CB 1.825 39 residues pruned to eliminate duplicates Z: 32 23.779 2.166 0.751 0.459 0.774 0.387 CB 1.517 32 residues pruned to eliminate duplicates Z: 70 77.256 2.363 1.133 0.581 0.971 0.623 CB 1.759 70 residues pruned to eliminate duplicates Z: 28 71.794 2.369 1.154 0.926 1.000 0.963 CB 1.898 28 residues pruned to eliminate duplicates Z: 9 35.537 2.570 0.738 0.900 1.000 1.000 C 2.008 9 residues pruned to eliminate duplicates Z: 11 27.076 2.242 1.375 0.592 0.900 0.600 CA 1.635 11 residues pruned to eliminate duplicates Z: 9 29.886 2.539 0.538 0.884 1.000 0.875 CA 1.955 9 residues pruned to eliminate duplicates Z: 6 26.596 2.621 0.608 0.890 1.000 1.000 CB 2.031 6 residues pruned to eliminate duplicates Z: 25 50.391 2.375 0.662 0.926 0.958 0.875 C 1.908 25 residues pruned to eliminate duplicates Z: 25 64.247 2.462 1.021 0.941 1.000 0.875 C 1.829 25 residues pruned to eliminate duplicates Z: 122 92.326 2.387 0.938 0.594 0.926 0.686 CB 1.792 122 residues pruned to eliminate duplicates Z: 15 49.664 2.466 0.979 0.915 1.000 0.857 CB 1.921 15 residues pruned to eliminate duplicates Z: 26 61.082 2.412 0.981 0.926 0.960 0.880 C 1.868 26 residues pruned to eliminate duplicates Z: 16 47.667 2.400 1.003 0.892 1.000 0.800 CB 1.839 16 residues pruned to eliminate duplicates Z: 9 37.127 2.630 0.823 0.879 1.000 1.000 CA 1.986 9 residues pruned to eliminate duplicates Z: 16 33.493 2.224 0.511 0.925 1.000 0.933 CA 1.806 16 residues pruned to eliminate duplicates Z: 12 26.176 2.268 1.374 0.526 0.909 0.636 CB 1.571 12 residues pruned to eliminate duplicates Z: 28 74.416 2.408 1.215 0.935 1.000 0.852 CB 1.871 28 residues pruned to eliminate duplicates Z: 27 66.634 2.326 1.164 0.927 1.000 0.885 C 1.819 27 residues pruned to eliminate duplicates Z: 27 68.895 2.472 1.024 0.952 0.962 0.808 CB 1.934 27 residues pruned to eliminate duplicates Z: 26 64.446 2.522 0.897 0.951 0.960 0.880 CB 1.933 26 residues pruned to eliminate duplicates Z: 27 74.640 2.468 1.167 0.956 0.962 0.808 CB 1.955 27 residues pruned to eliminate duplicates Z: 26 70.052 2.400 1.251 0.944 1.000 0.880 C 1.796 26 residues pruned to eliminate duplicates Z: 15 34.858 2.264 0.608 0.922 1.000 0.929 C 1.800 15 residues pruned to eliminate duplicates Z: 22 35.620 2.276 0.538 0.831 0.952 0.810 CA 1.752 22 residues pruned to eliminate duplicates Z: 10 35.300 2.421 0.940 0.876 1.000 0.778 CA 1.820 9 residues pruned to eliminate duplicates Z: 28 69.111 2.385 1.119 0.946 0.963 0.889 CB 1.891 28 residues pruned to eliminate duplicates Z: 16 43.924 2.419 0.807 0.878 1.000 0.800 CB 1.882 16 residues pruned to eliminate duplicates Z: 15 33.273 2.245 0.565 0.948 1.000 0.929 C 1.748 15 residues pruned to eliminate duplicates Z: 64 57.851 2.316 0.861 0.583 0.937 0.619 CB 1.667 64 residues pruned to eliminate duplicates Z: 10 28.653 2.332 0.604 0.890 1.000 0.889 CB 1.836 10 residues pruned to eliminate duplicates Z: 10 16.627 2.026 0.531 0.863 0.889 0.889 CA 1.475 10 residues pruned to eliminate duplicates Z: 22 80.263 2.612 1.330 0.956 0.952 0.952 C 2.076 22 residues pruned to eliminate duplicates Z: 28 21.130 2.064 0.585 0.429 0.889 0.481 CB 1.505 28 residues pruned to eliminate duplicates Z: 17 30.894 2.308 0.401 0.848 1.000 0.875 CB 1.772 17 residues pruned to eliminate duplicates Z: 11 29.469 2.180 0.858 0.856 1.000 0.800 CA 1.697 11 residues pruned to eliminate duplicates Z: 121 92.585 2.413 0.890 0.597 0.950 0.692 CB 1.778 121 residues pruned to eliminate duplicates Z: 39 64.888 2.348 1.170 0.697 0.947 0.763 CB 1.822 39 residues pruned to eliminate duplicates Z: 25 73.273 2.463 1.301 0.932 1.000 0.833 C 1.843 25 residues pruned to eliminate duplicates Z: 15 32.196 2.490 0.301 0.906 1.000 0.929 CB 1.889 15 residues pruned to eliminate duplicates Z: 86 73.351 2.413 1.002 0.554 0.894 0.635 CB 1.747 124 residues pruned to eliminate duplicates Z: 51 66.341 2.364 0.989 0.745 0.940 0.760 CB 1.706 51 residues pruned to eliminate duplicates Z: 17 37.620 2.301 0.701 0.897 1.000 0.875 CB 1.721 Z: 89 89.304 2.386 1.058 0.671 0.909 0.682 CB 1.821 32 residues pruned to eliminate duplicates Z: 16 34.041 2.381 0.556 0.896 1.000 0.933 CB 1.699 16 residues pruned to eliminate duplicates Z: 27 81.119 2.469 1.240 0.952 1.000 0.885 CB 1.981 27 residues pruned to eliminate duplicates Z: 10 37.002 2.380 0.963 0.898 1.000 1.000 CA 1.889 10 residues pruned to eliminate duplicates Z: 13 18.396 2.047 0.242 0.876 1.000 0.583 CB 1.518 13 residues pruned to eliminate duplicates Z: 12 23.303 2.297 1.363 0.458 0.818 0.545 CB 1.651 Z: 25 68.204 2.459 1.070 0.939 1.000 0.875 C 1.901 25 residues pruned to eliminate duplicates Z: 38 65.982 2.386 1.122 0.679 0.973 0.784 CB 1.868 38 residues pruned to eliminate duplicates Z: 21 13.404 2.013 0.697 0.389 0.750 0.350 CB 1.316 21 residues pruned to eliminate duplicates Z: 28 75.207 2.414 1.153 0.934 1.000 0.963 CB 1.942 28 residues pruned to eliminate duplicates Z: 75 71.110 2.354 0.982 0.620 0.932 0.689 CB 1.696 75 residues pruned to eliminate duplicates Z: 15 36.682 2.262 0.771 0.922 1.000 0.857 C 1.720 15 residues pruned to eliminate duplicates Z: 17 28.198 2.267 0.413 0.875 1.000 0.812 CB 1.600 17 residues pruned to eliminate duplicates Z: 17 31.755 2.076 0.540 0.931 1.000 0.938 C 1.735 17 residues pruned to eliminate duplicates Z: 11 34.182 2.326 0.890 0.814 1.000 0.900 CA 1.872 11 residues pruned to eliminate duplicates Z: 14 20.182 2.309 1.196 0.382 0.769 0.538 CA 1.627 14 residues pruned to eliminate duplicates Z: 9 32.485 2.466 0.743 0.921 1.000 1.000 C 1.881 9 residues pruned to eliminate duplicates Z: 43 54.169 2.323 0.717 0.662 0.976 0.786 CB 1.847 44 residues pruned to eliminate duplicates Z: 32 65.320 2.367 1.164 0.719 1.000 0.710 CB 1.879 32 residues pruned to eliminate duplicates Z: 11 21.685 2.292 0.435 0.807 1.000 0.800 C 1.595 11 residues pruned to eliminate duplicates Z: 28 65.795 2.396 1.119 0.909 0.963 0.815 CB 1.838 28 residues pruned to eliminate duplicates Z: 38 24.447 1.753 0.801 0.654 0.973 0.703 CB 1.133 38 residues pruned to eliminate duplicates Z: 26 23.754 1.857 0.908 0.666 0.960 0.640 CB 1.197 26 residues pruned to eliminate duplicates Z: 26 63.386 2.399 0.965 0.927 1.000 0.920 C 1.884 26 residues pruned to eliminate duplicates Z: 27 56.172 2.313 0.915 0.921 1.000 0.923 CB 1.751 27 residues pruned to eliminate duplicates Z: 28 68.772 2.383 1.086 0.928 1.000 0.889 CB 1.864 28 residues pruned to eliminate duplicates Z: 6 12.824 2.226 0.325 0.866 0.800 0.600 CA 1.780 6 residues pruned to eliminate duplicates Z: 17 30.301 2.221 0.566 0.855 0.938 0.812 CB 1.714 17 residues pruned to eliminate duplicates Z: 9 31.899 2.487 0.632 0.911 1.000 1.000 CB 1.970 9 residues pruned to eliminate duplicates Z: 15 35.709 2.275 0.644 0.944 1.000 1.000 C 1.767 15 residues pruned to eliminate duplicates Z: 51 53.320 2.327 0.752 0.636 0.980 0.760 CB 1.661 27 residues pruned to eliminate duplicates Z: 16 40.485 2.411 0.769 0.878 1.000 0.733 CB 1.779 16 residues pruned to eliminate duplicates Z: 20 25.844 2.075 1.051 0.453 0.947 0.632 CB 1.543 20 residues pruned to eliminate duplicates Z: 37 66.669 2.411 1.086 0.682 0.972 0.722 CB 1.922 37 residues pruned to eliminate duplicates Z: 28 75.023 2.407 1.239 0.942 1.000 0.852 CB 1.858 28 residues pruned to eliminate duplicates Z: 26 48.925 2.489 0.450 0.950 0.960 0.960 CB 1.947 26 residues pruned to eliminate duplicates Z: 25 73.257 2.444 1.363 0.934 1.000 0.708 C 1.806 25 residues pruned to eliminate duplicates Z: 23 32.305 2.332 1.273 0.386 0.864 0.591 CB 1.699 35 residues pruned to eliminate duplicates Z: 106 85.370 2.385 0.789 0.658 0.971 0.781 CB 1.736 106 residues pruned to eliminate duplicates Z: 31 23.702 2.252 0.561 0.447 0.833 0.433 CB 1.560 31 residues pruned to eliminate duplicates Z: 45 29.075 2.192 0.791 0.329 0.795 0.500 CB 1.693 45 residues pruned to eliminate duplicates Z: 26 76.151 2.509 1.168 0.956 1.000 0.880 CB 1.923 26 residues pruned to eliminate duplicates Z: 15 37.504 2.286 0.645 0.946 1.000 1.000 C 1.843 15 residues pruned to eliminate duplicates Z: 25 68.489 2.466 1.152 0.936 1.000 0.875 C 1.834 25 residues pruned to eliminate duplicates Z: 13 21.362 2.319 1.076 0.496 0.750 0.583 CA 1.715 13 residues pruned to eliminate duplicates Z: 15 21.469 2.083 0.733 0.542 1.000 0.786 CA 1.525 16 residues pruned to eliminate duplicates Z: 7 12.756 2.106 0.099 0.888 1.000 0.500 CA 1.621 7 residues pruned to eliminate duplicates Z: 29 57.843 2.297 0.881 0.929 1.000 0.893 CB 1.771 29 residues pruned to eliminate duplicates Z: 78 61.053 2.336 0.746 0.559 0.948 0.688 CB 1.698 78 residues pruned to eliminate duplicates Z: 18 35.721 2.211 0.778 0.858 0.941 0.765 CB 1.724 18 residues pruned to eliminate duplicates Z: 16 26.089 2.337 0.302 0.849 0.933 0.867 CB 1.759 16 residues pruned to eliminate duplicates Z: 51 60.901 2.343 0.926 0.622 0.980 0.740 CB 1.737 50 residues pruned to eliminate duplicates Z: 25 62.671 2.568 0.694 0.938 1.000 0.958 CB 2.045 25 residues pruned to eliminate duplicates Z: 16 19.512 2.004 0.786 0.592 0.933 0.867 CB 1.381 16 residues pruned to eliminate duplicates Z: 9 4.316 1.757 -0.001 0.427 0.875 0.250 CA 1.072 9 residues pruned to eliminate duplicates Z: 25 64.670 2.452 1.050 0.933 1.000 0.875 C 1.833 25 residues pruned to eliminate duplicates Z: 27 60.845 2.331 1.088 0.910 0.962 0.769 C 1.809 27 residues pruned to eliminate duplicates Z: 110 78.128 2.360 0.914 0.545 0.936 0.615 CB 1.693 110 residues pruned to eliminate duplicates Z: 12 20.896 2.235 0.991 0.522 0.818 0.636 CB 1.693 Z: 10 25.358 2.290 0.445 0.910 1.000 0.889 CA 1.812 10 residues pruned to eliminate duplicates Z: 28 66.735 2.404 1.081 0.923 0.963 0.852 CB 1.873 28 residues pruned to eliminate duplicates Z: 26 30.401 2.220 1.229 0.470 0.840 0.520 CB 1.508 26 residues pruned to eliminate duplicates Z: 7 15.571 2.139 0.471 0.826 1.000 0.500 CA 1.523 7 residues pruned to eliminate duplicates Z: 15 27.690 2.028 0.693 0.866 0.929 0.857 C 1.699 15 residues pruned to eliminate duplicates Z: 27 78.234 2.485 1.235 0.954 0.962 0.923 C 1.975 27 residues pruned to eliminate duplicates Z: 9 34.005 2.503 0.952 0.863 1.000 0.875 CA 1.805 9 residues pruned to eliminate duplicates Z: 9 36.538 2.459 0.906 0.924 1.000 1.000 CA 1.934 9 residues pruned to eliminate duplicates Z: 16 39.648 2.379 0.768 0.884 1.000 0.867 CB 1.759 16 residues pruned to eliminate duplicates Z: 18 27.515 2.167 0.484 0.866 0.941 0.824 CB 1.614 18 residues pruned to eliminate duplicates Z: 124 101.931 2.439 0.947 0.637 0.943 0.715 CB 1.805 124 residues pruned to eliminate duplicates Z: 25 63.899 2.470 1.006 0.934 0.958 0.917 C 1.915 25 residues pruned to eliminate duplicates Z: 79 70.005 2.382 1.055 0.579 0.885 0.628 CB 1.696 79 residues pruned to eliminate duplicates Z: 42 54.906 2.310 0.880 0.678 0.951 0.780 CB 1.761 42 residues pruned to eliminate duplicates Z: 32 38.054 2.332 1.019 0.433 0.839 0.516 C 1.855 32 residues pruned to eliminate duplicates Z: 25 64.736 2.460 0.984 0.935 1.000 0.833 C 1.886 25 residues pruned to eliminate duplicates Z: 25 66.811 2.455 1.273 0.919 0.958 0.792 C 1.797 25 residues pruned to eliminate duplicates Z: 46 60.171 2.398 0.990 0.681 0.911 0.667 CB 1.746 46 residues pruned to eliminate duplicates Z: 17 22.855 2.320 0.176 0.836 0.938 0.875 CB 1.672 17 residues pruned to eliminate duplicates Z: 38 64.082 2.359 1.115 0.677 0.973 0.757 CB 1.843 38 residues pruned to eliminate duplicates Z: 17 37.339 2.300 0.709 0.869 1.000 0.562 CB 1.735 17 residues pruned to eliminate duplicates Z: 41 24.920 2.236 0.626 0.418 0.800 0.425 CB 1.475 53 residues pruned to eliminate duplicates Z: 74 71.366 2.349 0.989 0.625 0.945 0.685 CB 1.681 74 residues pruned to eliminate duplicates Z: 15 36.586 2.275 0.700 0.939 1.000 1.000 C 1.757 15 residues pruned to eliminate duplicates Z: 107 94.293 2.380 0.965 0.664 0.962 0.774 CB 1.749 107 residues pruned to eliminate duplicates Z: 50 65.267 2.353 0.944 0.658 0.980 0.755 CB 1.796 51 residues pruned to eliminate duplicates Z: 9 19.887 2.251 0.369 0.855 1.000 0.875 CB 1.683 9 residues pruned to eliminate duplicates Z: 37 67.747 2.433 1.130 0.692 0.972 0.694 CB 1.880 37 residues pruned to eliminate duplicates Z: 26 66.486 2.417 1.085 0.933 1.000 0.800 C 1.842 26 residues pruned to eliminate duplicates Z: 16 32.878 2.330 0.678 0.853 0.867 0.800 CB 1.853 16 residues pruned to eliminate duplicates Z: 39 54.860 2.313 0.818 0.692 0.974 0.711 CB 1.824 39 residues pruned to eliminate duplicates Z: 15 31.437 2.232 0.456 0.947 1.000 1.000 C 1.787 15 residues pruned to eliminate duplicates Z: 26 64.187 2.520 0.745 0.947 1.000 0.920 C 2.018 26 residues pruned to eliminate duplicates Z: 17 35.348 2.307 0.679 0.868 0.938 0.812 CB 1.779 17 residues pruned to eliminate duplicates Z: 41 56.499 2.348 0.866 0.649 1.000 0.700 CB 1.774 41 residues pruned to eliminate duplicates Z: 38 61.641 2.404 0.995 0.677 0.973 0.676 CB 1.845 38 residues pruned to eliminate duplicates Z: 19 17.010 2.103 0.851 0.452 0.944 0.667 CB 1.146 19 residues pruned to eliminate duplicates Z: 19 26.753 2.099 0.405 0.839 1.000 0.833 CB 1.596 19 residues pruned to eliminate duplicates Z: 18 34.659 2.056 0.858 0.865 0.941 0.765 CA 1.712 18 residues pruned to eliminate duplicates Z: 43 53.469 2.312 0.789 0.654 0.976 0.810 CB 1.771 43 residues pruned to eliminate duplicates Z: 17 26.293 2.234 0.330 0.887 1.000 0.875 CB 1.596 17 residues pruned to eliminate duplicates Z: 96 79.129 2.334 0.922 0.573 0.979 0.663 CB 1.724 96 residues pruned to eliminate duplicates Z: 16 39.619 2.270 0.838 0.902 1.000 0.867 CB 1.748 16 residues pruned to eliminate duplicates Z: 16 27.404 2.322 0.462 0.844 0.933 0.800 CB 1.662 16 residues pruned to eliminate duplicates Z: 17 24.324 2.269 0.261 0.872 0.938 0.875 CB 1.653 17 residues pruned to eliminate duplicates Z: 16 34.807 2.158 0.792 0.858 1.000 0.800 C 1.711 16 residues pruned to eliminate duplicates Z: 110 89.492 2.371 0.891 0.655 0.972 0.761 CB 1.702 110 residues pruned to eliminate duplicates Z: 49 59.935 2.386 0.810 0.670 0.979 0.771 CB 1.749 49 residues pruned to eliminate duplicates Z: 86 89.497 2.455 1.098 0.617 0.941 0.706 CB 1.793 86 residues pruned to eliminate duplicates Z: 65 66.581 2.387 1.059 0.604 0.922 0.656 CB 1.665 65 residues pruned to eliminate duplicates Z: 7 13.848 2.021 0.510 0.808 1.000 0.500 CB 1.417 7 residues pruned to eliminate duplicates Z: 113 82.481 2.384 0.768 0.598 0.964 0.714 CB 1.747 120 residues pruned to eliminate duplicates Z: 37 48.779 2.424 0.675 0.665 0.944 0.639 CB 1.820 37 residues pruned to eliminate duplicates Z: 75 80.268 2.378 1.123 0.599 0.959 0.743 CB 1.752 75 residues pruned to eliminate duplicates Z: 9 34.843 2.538 0.676 0.898 1.000 1.000 C 2.072 9 residues pruned to eliminate duplicates Z: 48 59.398 2.457 0.806 0.695 0.894 0.809 CB 1.828 48 residues pruned to eliminate duplicates Z: 40 66.013 2.363 1.106 0.767 0.949 0.769 C 1.768 40 residues pruned to eliminate duplicates Z: 45 78.873 2.409 1.208 0.742 1.000 0.750 CB 1.800 45 residues pruned to eliminate duplicates Z: 15 43.409 2.241 1.056 0.944 1.000 0.929 C 1.743 15 residues pruned to eliminate duplicates Z: 25 64.075 2.471 0.925 0.947 1.000 0.958 C 1.901 25 residues pruned to eliminate duplicates Z: 49 65.398 2.346 1.108 0.669 0.917 0.708 CB 1.781 49 residues pruned to eliminate duplicates Z: 50 61.482 2.311 0.938 0.682 0.980 0.796 CB 1.693 50 residues pruned to eliminate duplicates Z: 8 13.671 2.075 0.508 0.744 0.857 0.571 CA 1.548 8 residues pruned to eliminate duplicates Z: 28 57.855 2.393 0.844 0.917 0.963 0.778 CB 1.849 28 residues pruned to eliminate duplicates Z: 123 102.080 2.425 0.997 0.619 0.951 0.730 CB 1.793 123 residues pruned to eliminate duplicates Z: 42 62.698 2.360 1.049 0.658 0.976 0.780 CB 1.791 42 residues pruned to eliminate duplicates Z: 82 65.834 2.347 0.957 0.613 0.889 0.654 CB 1.610 82 residues pruned to eliminate duplicates Z: 16 42.548 2.413 0.842 0.908 1.000 0.867 CB 1.755 16 residues pruned to eliminate duplicates Z: 36 60.428 2.437 0.949 0.660 0.943 0.743 CB 1.966 36 residues pruned to eliminate duplicates Z: 63 67.384 2.410 1.082 0.625 0.871 0.677 CB 1.741 63 residues pruned to eliminate duplicates Z: 13 18.840 2.115 0.802 0.446 0.917 0.667 CA 1.647 13 residues pruned to eliminate duplicates Z: 28 23.470 2.231 0.740 0.432 0.852 0.556 CB 1.466 28 residues pruned to eliminate duplicates Z: 26 62.129 2.484 0.756 0.949 1.000 0.960 C 1.967 26 residues pruned to eliminate duplicates Z: 126 82.729 2.337 0.978 0.592 0.896 0.600 CB 1.636 126 residues pruned to eliminate duplicates Z: 6 6.233 2.215 -0.129 0.541 0.800 0.400 C 1.734 6 residues pruned to eliminate duplicates Z: 27 63.168 2.355 1.044 0.913 1.000 0.846 C 1.821 27 residues pruned to eliminate duplicates Z: 25 70.889 2.487 1.119 0.948 1.000 0.875 C 1.895 25 residues pruned to eliminate duplicates Z: 69 72.213 2.396 0.986 0.591 0.941 0.588 CB 1.793 69 residues pruned to eliminate duplicates Z: 16 32.205 2.383 0.439 0.866 1.000 0.800 CB 1.774 16 residues pruned to eliminate duplicates Z: 58 64.816 2.378 1.003 0.637 0.877 0.649 CB 1.808 58 residues pruned to eliminate duplicates Z: 36 41.700 2.236 0.691 0.638 1.000 0.629 CB 1.639 36 residues pruned to eliminate duplicates Z: 7 6.125 1.778 0.613 0.525 0.833 0.333 CB 1.020 7 residues pruned to eliminate duplicates Z: 22 29.550 2.283 1.045 0.392 0.857 0.381 CB 1.807 22 residues pruned to eliminate duplicates Z: 22 18.441 1.740 0.738 0.724 0.952 0.762 CB 1.141 22 residues pruned to eliminate duplicates Z: 72 70.805 2.361 0.957 0.584 0.944 0.704 CB 1.779 72 residues pruned to eliminate duplicates Z: 6 8.594 1.840 0.111 0.750 1.000 0.800 CB 1.504 6 residues pruned to eliminate duplicates Z: 18 30.485 2.063 0.699 0.834 0.941 0.882 CA 1.681 18 residues pruned to eliminate duplicates Z: 43 49.783 2.349 0.576 0.671 1.000 0.786 CB 1.772 43 residues pruned to eliminate duplicates Z: 9 38.695 2.506 1.028 0.908 1.000 1.000 CB 1.911 9 residues pruned to eliminate duplicates Z: 15 12.552 2.091 0.610 0.378 0.857 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 38 63.457 2.354 1.162 0.678 0.946 0.703 CB 1.840 38 residues pruned to eliminate duplicates Z: 7 6.670 1.852 0.584 0.294 0.833 0.667 CA 1.403 Z: 82 71.527 2.361 0.907 0.621 0.901 0.654 CB 1.747 82 residues pruned to eliminate duplicates Z: 49 56.975 2.337 0.900 0.635 0.938 0.667 CB 1.740 49 residues pruned to eliminate duplicates Z: 26 11.949 1.527 0.483 0.692 0.960 0.760 CB 0.923 Z: 16 46.892 2.247 1.105 0.945 1.000 0.533 CB 1.772 16 residues pruned to eliminate duplicates Z: 51 53.302 2.331 0.719 0.607 1.000 0.820 CB 1.699 51 residues pruned to eliminate duplicates Z: 6 12.718 1.904 0.494 0.717 1.000 0.800 CA 1.643 6 residues pruned to eliminate duplicates Z: 7 12.877 2.084 0.484 0.743 0.833 0.667 CA 1.641 7 residues pruned to eliminate duplicates Z: 20 18.305 2.012 0.773 0.488 0.842 0.632 CB 1.415 20 residues pruned to eliminate duplicates Z: 32 21.867 1.753 0.679 0.691 0.968 0.548 CB 1.157 32 residues pruned to eliminate duplicates Z: 76 69.099 2.359 0.753 0.670 0.933 0.773 CB 1.766 76 residues pruned to eliminate duplicates Z: 59 77.308 2.444 1.098 0.662 0.931 0.621 CB 1.829 59 residues pruned to eliminate duplicates Z: 43 58.071 2.342 0.902 0.661 0.976 0.786 CB 1.774 43 residues pruned to eliminate duplicates Z: 29 61.214 2.347 0.878 0.927 1.000 0.750 CB 1.839 29 residues pruned to eliminate duplicates Z: 42 61.207 2.389 0.931 0.675 0.976 0.659 CB 1.807 42 residues pruned to eliminate duplicates Z: 32 34.906 2.325 0.964 0.452 0.903 0.677 CB 1.597 39 residues pruned to eliminate duplicates Z: 42 60.547 2.328 0.928 0.675 0.976 0.780 CB 1.838 42 residues pruned to eliminate duplicates Z: 40 60.549 2.308 1.064 0.649 0.974 0.769 CB 1.818 40 residues pruned to eliminate duplicates Z: 59 68.853 2.412 1.054 0.606 0.931 0.776 CB 1.772 59 residues pruned to eliminate duplicates Z: 15 31.010 2.354 0.442 0.890 1.000 0.857 CB 1.757 15 residues pruned to eliminate duplicates Z: 6 10.641 1.984 0.732 0.589 0.800 0.400 CB 1.589 Z: 27 69.413 2.322 1.361 0.929 1.000 0.846 C 1.737 27 residues pruned to eliminate duplicates Z: 126 99.031 2.398 0.963 0.630 0.944 0.704 CB 1.764 126 residues pruned to eliminate duplicates Z: 127 95.963 2.403 0.915 0.625 0.929 0.675 CB 1.778 127 residues pruned to eliminate duplicates Z: 83 86.602 2.400 1.085 0.665 0.927 0.756 CB 1.770 83 residues pruned to eliminate duplicates Z: 11 14.584 2.165 0.628 0.391 0.900 0.600 CA 1.631 Z: 27 70.411 2.449 1.002 0.938 1.000 0.885 CB 1.958 27 residues pruned to eliminate duplicates Z: 27 72.610 2.326 1.415 0.939 1.000 0.808 C 1.762 27 residues pruned to eliminate duplicates Z: 62 77.491 2.404 1.105 0.673 0.918 0.672 CB 1.821 61 residues pruned to eliminate duplicates Z: 35 28.079 2.274 0.886 0.442 0.794 0.500 CB 1.502 35 residues pruned to eliminate duplicates Z: 60 62.509 2.378 0.992 0.638 0.898 0.695 CB 1.680 60 residues pruned to eliminate duplicates Z: 18 23.174 2.355 1.054 0.426 0.882 0.529 CB 1.423 17 residues pruned to eliminate duplicates Z: 43 68.800 2.346 1.111 0.753 0.952 0.667 CB 1.797 43 residues pruned to eliminate duplicates Z: 9 36.455 2.513 0.847 0.877 1.000 0.875 CA 2.017 9 residues pruned to eliminate duplicates Z: 14 34.408 2.349 0.493 0.928 1.000 1.000 CB 1.905 14 residues pruned to eliminate duplicates Z: 44 63.420 2.364 0.946 0.672 0.977 0.744 CB 1.837 44 residues pruned to eliminate duplicates Z: 30 20.278 2.031 0.742 0.360 0.897 0.414 CB 1.380 30 residues pruned to eliminate duplicates Z: 124 100.313 2.425 0.940 0.639 0.943 0.691 CB 1.791 124 residues pruned to eliminate duplicates Z: 11 22.471 2.082 0.570 0.875 1.000 1.000 C 1.581 11 residues pruned to eliminate duplicates Z: 47 56.681 2.323 0.779 0.658 0.978 0.804 CB 1.785 47 residues pruned to eliminate duplicates Z: 26 66.087 2.410 1.243 0.919 1.000 0.800 C 1.723 26 residues pruned to eliminate duplicates Z: 66 74.304 2.394 1.054 0.636 0.938 0.708 CB 1.758 66 residues pruned to eliminate duplicates Z: 15 45.073 2.248 1.103 0.955 1.000 0.929 C 1.751 15 residues pruned to eliminate duplicates Z: 70 62.176 2.346 0.878 0.566 0.928 0.623 CB 1.717 70 residues pruned to eliminate duplicates Z: 43 58.524 2.296 0.929 0.658 0.976 0.786 CB 1.803 43 residues pruned to eliminate duplicates Z: 53 66.717 2.355 1.059 0.715 0.962 0.769 CB 1.633 53 residues pruned to eliminate duplicates Z: 90 70.152 2.348 1.002 0.570 0.876 0.629 CB 1.687 90 residues pruned to eliminate duplicates Z: 27 78.049 2.409 1.289 0.940 1.000 0.808 C 1.929 27 residues pruned to eliminate duplicates Z: 20 18.344 2.076 0.747 0.409 0.895 0.474 CB 1.427 20 residues pruned to eliminate duplicates Z: 16 32.201 2.142 0.748 0.903 0.933 0.800 C 1.696 16 residues pruned to eliminate duplicates Z: 78 74.171 2.344 1.012 0.615 0.935 0.649 CB 1.719 78 residues pruned to eliminate duplicates Z: 10 14.908 1.957 0.956 0.647 0.778 0.667 CA 1.456 10 residues pruned to eliminate duplicates Z: 8 11.975 2.115 0.698 0.843 0.571 0.429 C 1.641 8 residues pruned to eliminate duplicates Z: 52 65.332 2.406 0.962 0.641 0.941 0.686 CB 1.804 52 residues pruned to eliminate duplicates Z: 7 14.713 2.198 0.354 0.839 1.000 0.667 CA 1.507 7 residues pruned to eliminate duplicates Z: 105 100.637 2.411 0.969 0.683 1.000 0.779 CB 1.757 105 residues pruned to eliminate duplicates Z: 79 82.586 2.425 1.135 0.620 0.923 0.744 CB 1.747 79 residues pruned to eliminate duplicates Z: 7 9.157 1.722 1.135 0.384 0.833 0.500 CB 1.380 7 residues pruned to eliminate duplicates Z: 39 45.439 2.237 0.988 0.582 0.895 0.553 CB 1.713 39 residues pruned to eliminate duplicates Z: 7 15.731 2.197 0.312 0.891 1.000 0.500 CA 1.601 7 residues pruned to eliminate duplicates Z: 67 62.221 2.308 0.941 0.632 0.924 0.712 CB 1.633 67 residues pruned to eliminate duplicates Z: 22 21.567 2.066 0.690 0.447 0.810 0.619 CA 1.758 22 residues pruned to eliminate duplicates Z: 44 56.185 2.308 0.923 0.614 0.977 0.744 CB 1.773 44 residues pruned to eliminate duplicates Z: 10 6.761 1.666 0.316 0.545 1.000 0.778 CB 0.983 7 residues pruned to eliminate duplicates Z: 20 27.437 2.394 1.040 0.395 0.737 0.368 C 1.954 20 residues pruned to eliminate duplicates Z: 106 93.900 2.405 0.862 0.674 0.981 0.800 CB 1.777 106 residues pruned to eliminate duplicates Z: 25 72.014 2.478 1.212 0.951 1.000 0.917 C 1.848 25 residues pruned to eliminate duplicates Z: 15 7.824 1.511 0.312 0.689 1.000 0.857 CB 0.887 15 residues pruned to eliminate duplicates Z: 8 8.749 1.920 0.560 0.751 0.714 0.429 CA 1.236 8 residues pruned to eliminate duplicates Z: 26 68.730 2.485 0.928 0.946 1.000 0.880 CB 1.985 26 residues pruned to eliminate duplicates Z: 9 4.150 1.820 0.291 0.272 0.625 0.375 CA 1.295 Z: 34 20.267 1.749 0.694 0.660 0.939 0.606 CB 1.093 63 residues pruned to eliminate duplicates Z: 56 72.467 2.315 1.229 0.713 0.945 0.745 CB 1.652 56 residues pruned to eliminate duplicates Z: 60 64.762 2.363 0.904 0.656 0.949 0.746 CB 1.708 60 residues pruned to eliminate duplicates Z: 15 8.038 1.529 0.274 0.693 1.000 0.643 CB 0.924 Z: 15 22.565 2.204 1.041 0.465 0.929 0.571 CB 1.496 15 residues pruned to eliminate duplicates Z: 15 26.254 2.344 0.178 0.919 1.000 1.000 CB 1.791 15 residues pruned to eliminate duplicates Z: 14 32.457 2.242 0.575 0.937 1.000 1.000 CB 1.774 14 residues pruned to eliminate duplicates Z: 11 9.105 1.697 1.052 0.347 0.800 0.400 CB 1.221 11 residues pruned to eliminate duplicates Z: 15 45.736 2.447 0.809 0.946 1.000 0.929 CB 1.910 15 residues pruned to eliminate duplicates Z: 25 77.174 2.470 1.404 0.948 1.000 0.917 C 1.833 25 residues pruned to eliminate duplicates Z: 31 21.595 2.189 0.722 0.367 0.867 0.467 CB 1.391 31 residues pruned to eliminate duplicates Z: 6 9.159 1.574 0.710 0.682 1.000 0.800 C 1.287 6 residues pruned to eliminate duplicates Z: 27 20.314 2.025 0.766 0.354 0.885 0.462 CB 1.475 27 residues pruned to eliminate duplicates Z: 25 65.673 2.453 1.135 0.931 1.000 0.917 C 1.788 25 residues pruned to eliminate duplicates Z: 124 103.155 2.435 0.963 0.638 0.943 0.707 CB 1.814 124 residues pruned to eliminate duplicates Z: 17 35.151 2.240 0.881 0.855 0.938 0.750 CB 1.641 17 residues pruned to eliminate duplicates Z: 39 22.607 2.169 0.587 0.324 0.842 0.447 CB 1.535 39 residues pruned to eliminate duplicates Z: 59 56.746 2.364 0.736 0.580 0.948 0.759 CB 1.773 59 residues pruned to eliminate duplicates Z: 106 96.246 2.389 0.942 0.676 0.971 0.752 CB 1.773 106 residues pruned to eliminate duplicates Z: 42 58.881 2.349 0.891 0.672 0.976 0.805 CB 1.810 42 residues pruned to eliminate duplicates Z: 25 71.481 2.458 1.270 0.942 1.000 0.792 C 1.813 25 residues pruned to eliminate duplicates Z: 38 19.254 1.673 0.723 0.624 0.946 0.703 CB 1.032 53 residues pruned to eliminate duplicates Z: 6 11.053 2.191 0.103 0.864 1.000 0.200 C 1.500 6 residues pruned to eliminate duplicates Z: 18 29.124 2.180 0.340 0.863 1.000 0.941 CB 1.775 18 residues pruned to eliminate duplicates Z: 118 101.011 2.435 0.989 0.629 0.957 0.752 CB 1.784 118 residues pruned to eliminate duplicates Z: 13 40.807 2.411 1.187 0.858 0.917 0.583 CB 1.795 13 residues pruned to eliminate duplicates Z: 9 13.120 1.727 0.944 0.741 0.875 0.625 C 1.272 9 residues pruned to eliminate duplicates Z: 18 26.660 2.071 0.606 0.839 0.941 0.647 CB 1.543 18 residues pruned to eliminate duplicates Z: 14 16.357 2.185 0.832 0.403 0.846 0.462 CB 1.482 14 residues pruned to eliminate duplicates Z: 15 38.574 2.320 0.623 0.950 1.000 1.000 CA 1.889 15 residues pruned to eliminate duplicates Z: 34 64.322 2.354 1.087 0.805 0.970 0.788 C 1.802 34 residues pruned to eliminate duplicates Z: 15 32.295 2.265 0.413 0.918 1.000 1.000 C 1.903 15 residues pruned to eliminate duplicates Z: 13 9.054 1.782 0.664 0.440 0.833 0.333 CB 1.125 13 residues pruned to eliminate duplicates Z: 20 14.936 2.047 0.661 0.389 0.842 0.368 CB 1.346 20 residues pruned to eliminate duplicates Z: 9 8.843 2.355 0.503 0.419 0.625 0.625 CB 1.538 9 residues pruned to eliminate duplicates Z: 8 14.965 1.818 0.568 0.897 1.000 0.857 CA 1.420 8 residues pruned to eliminate duplicates Z: 43 52.337 2.301 0.742 0.645 1.000 0.738 CB 1.759 43 residues pruned to eliminate duplicates Z: 9 35.816 2.538 0.824 0.860 1.000 0.875 CB 2.011 9 residues pruned to eliminate duplicates Z: 16 14.152 1.885 0.428 0.523 1.000 0.533 CB 1.327 16 residues pruned to eliminate duplicates Z: 51 56.732 2.399 0.924 0.619 0.860 0.680 CB 1.805 51 residues pruned to eliminate duplicates Z: 21 35.155 2.235 0.705 0.657 1.000 0.850 CB 1.783 21 residues pruned to eliminate duplicates Z: 11 24.297 2.253 0.938 0.602 0.900 0.700 CB 1.775 11 residues pruned to eliminate duplicates Z: 17 17.680 1.918 0.754 0.626 0.938 0.562 CB 1.244 17 residues pruned to eliminate duplicates Z: 91 69.148 2.353 0.630 0.617 0.978 0.744 CB 1.740 51 residues pruned to eliminate duplicates Z: 75 70.855 2.330 1.015 0.635 0.932 0.689 CB 1.658 75 residues pruned to eliminate duplicates Z: 13 31.275 2.449 0.802 0.855 0.917 0.917 CB 1.648 13 residues pruned to eliminate duplicates Z: 9 15.096 2.269 -0.033 0.886 1.000 0.875 CB 1.756 9 residues pruned to eliminate duplicates Z: 17 25.416 2.225 0.316 0.875 0.938 0.938 CB 1.684 17 residues pruned to eliminate duplicates Z: 40 54.186 2.399 0.672 0.706 0.974 0.769 CB 1.841 40 residues pruned to eliminate duplicates Z: 33 20.734 1.700 0.618 0.712 1.000 0.625 CB 1.099 33 residues pruned to eliminate duplicates Z: 58 64.565 2.331 1.032 0.626 0.912 0.649 CB 1.757 58 residues pruned to eliminate duplicates Z: 32 23.009 2.156 0.753 0.395 0.806 0.419 CB 1.514 32 residues pruned to eliminate duplicates Z: 36 28.260 1.972 0.941 0.602 0.857 0.686 CB 1.321 36 residues pruned to eliminate duplicates Z: 18 28.353 2.093 0.465 0.870 1.000 0.706 CB 1.636 18 residues pruned to eliminate duplicates Z: 13 35.763 2.271 1.153 0.647 1.000 0.833 C 1.842 13 residues pruned to eliminate duplicates Z: 11 26.999 2.396 0.946 0.623 0.900 0.800 CA 1.811 12 residues pruned to eliminate duplicates Z: 37 64.150 2.417 1.124 0.688 0.944 0.750 CB 1.857 37 residues pruned to eliminate duplicates Z: 11 12.027 2.034 -0.127 0.875 1.000 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 20 42.478 2.384 0.927 0.656 1.000 0.737 CB 1.835 20 residues pruned to eliminate duplicates Z: 102 74.600 2.335 1.004 0.566 0.901 0.604 CB 1.652 102 residues pruned to eliminate duplicates Z: 26 75.046 2.447 1.167 0.936 1.000 0.680 C 1.971 26 residues pruned to eliminate duplicates Z: 14 6.040 1.778 0.822 0.348 0.769 0.538 CB 0.793 14 residues pruned to eliminate duplicates Z: 8 9.186 1.678 0.329 0.789 1.000 0.714 CB 1.209 8 residues pruned to eliminate duplicates Z: 33 62.254 2.374 1.094 0.844 0.938 0.750 C 1.756 33 residues pruned to eliminate duplicates Z: 8 5.958 1.442 0.526 0.532 1.000 0.571 CA 0.991 8 residues pruned to eliminate duplicates Z: 17 37.459 2.474 0.843 0.740 0.875 0.750 CB 1.893 17 residues pruned to eliminate duplicates Z: 27 72.139 2.336 1.339 0.945 1.000 0.923 C 1.793 27 residues pruned to eliminate duplicates Z: 68 79.154 2.408 1.112 0.644 0.955 0.731 CB 1.740 68 residues pruned to eliminate duplicates Z: 17 32.763 2.058 0.719 0.898 0.938 0.625 C 1.766 17 residues pruned to eliminate duplicates Z: 29 54.384 2.375 0.929 0.676 1.000 0.929 CB 1.907 29 residues pruned to eliminate duplicates Z: 14 11.877 1.738 0.857 0.459 0.846 0.615 CB 1.259 Z: 15 12.884 1.920 0.586 0.386 0.929 0.643 CB 1.374 15 residues pruned to eliminate duplicates Z: 42 49.930 2.298 0.714 0.653 0.976 0.780 CB 1.760 42 residues pruned to eliminate duplicates Z: 71 72.211 2.409 0.874 0.608 0.986 0.786 CB 1.750 71 residues pruned to eliminate duplicates Z: 37 18.675 1.777 0.471 0.665 0.889 0.722 CB 1.150 51 residues pruned to eliminate duplicates Z: 12 29.717 2.158 0.784 0.832 1.000 0.818 CA 1.748 12 residues pruned to eliminate duplicates Z: 31 43.062 2.283 0.778 0.676 0.933 0.867 CB 1.765 31 residues pruned to eliminate duplicates Z: 41 32.408 2.283 0.744 0.425 0.850 0.475 CB 1.636 41 residues pruned to eliminate duplicates Z: 79 58.617 2.273 0.816 0.573 0.962 0.679 CB 1.559 79 residues pruned to eliminate duplicates Z: 36 69.760 2.417 1.198 0.702 0.971 0.714 CB 1.900 36 residues pruned to eliminate duplicates Z: 27 82.308 2.421 1.479 0.932 1.000 0.654 CB 1.879 27 residues pruned to eliminate duplicates Z: 36 46.142 2.388 0.923 0.526 0.914 0.486 CB 1.810 36 residues pruned to eliminate duplicates Z: 24 74.933 2.486 1.317 0.958 1.000 0.870 C 1.860 24 residues pruned to eliminate duplicates Z: 95 86.164 2.408 0.922 0.607 0.968 0.723 CB 1.791 95 residues pruned to eliminate duplicates Z: 28 62.989 2.368 0.952 0.921 1.000 0.852 CB 1.845 28 residues pruned to eliminate duplicates Z: 17 25.459 2.223 0.366 0.861 0.938 0.812 CB 1.643 17 residues pruned to eliminate duplicates Z: 27 22.485 1.809 0.727 0.693 0.962 0.769 CB 1.230 27 residues pruned to eliminate duplicates Z: 27 70.193 2.328 1.412 0.941 0.962 0.808 C 1.769 27 residues pruned to eliminate duplicates Z: 13 6.538 1.689 0.383 0.330 0.833 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 28 74.193 2.400 1.225 0.937 1.000 0.852 CB 1.859 28 residues pruned to eliminate duplicates Z: 26 71.601 2.471 1.130 0.932 1.000 0.840 C 1.900 26 residues pruned to eliminate duplicates Z: 9 12.664 2.237 0.793 0.406 0.750 0.500 CB 1.642 9 residues pruned to eliminate duplicates Z: 11 32.738 2.276 0.730 0.902 1.000 0.900 C 1.875 11 residues pruned to eliminate duplicates Z: 62 63.012 2.371 0.947 0.600 0.902 0.639 CB 1.762 62 residues pruned to eliminate duplicates Z: 37 69.478 2.390 1.232 0.708 0.972 0.750 CB 1.848 37 residues pruned to eliminate duplicates Z: 25 76.457 2.457 1.446 0.962 1.000 0.875 C 1.777 25 residues pruned to eliminate duplicates Z: 19 31.625 2.239 0.767 0.631 1.000 0.833 CB 1.666 19 residues pruned to eliminate duplicates Z: 37 46.335 2.333 0.607 0.689 0.944 0.806 CB 1.834 37 residues pruned to eliminate duplicates Z: 14 29.004 2.519 0.726 0.641 0.846 0.692 C 1.915 14 residues pruned to eliminate duplicates Z: 90 80.656 2.405 1.041 0.595 0.910 0.730 CB 1.748 90 residues pruned to eliminate duplicates Z: 10 19.945 2.293 0.913 0.552 0.889 0.778 CA 1.621 10 residues pruned to eliminate duplicates Z: 38 59.995 2.395 0.987 0.678 0.946 0.730 CB 1.860 38 residues pruned to eliminate duplicates Z: 72 62.576 2.383 0.932 0.581 0.859 0.662 CB 1.737 72 residues pruned to eliminate duplicates Z: 16 33.874 2.260 0.621 0.922 1.000 0.867 CB 1.679 16 residues pruned to eliminate duplicates Z: 37 47.921 2.335 0.577 0.715 1.000 0.806 CB 1.785 37 residues pruned to eliminate duplicates Z: 6 4.742 1.580 -0.036 0.693 1.000 0.600 CA 1.166 Z: 13 13.928 1.820 1.030 0.718 0.833 0.750 CB 1.073 Z: 36 29.162 2.257 0.651 0.458 0.857 0.543 CB 1.611 36 residues pruned to eliminate duplicates Z: 15 5.276 1.697 0.278 0.282 0.714 0.286 CA 1.163 15 residues pruned to eliminate duplicates Z: 15 42.721 2.198 1.040 0.957 1.000 0.857 C 1.748 15 residues pruned to eliminate duplicates Z: 7 2.162 1.559 0.606 0.247 0.500 0.333 N 0.943 Z: 18 22.342 1.966 1.079 0.445 0.941 0.706 CA 1.490 18 residues pruned to eliminate duplicates Z: 38 57.288 2.390 0.794 0.700 1.000 0.811 CB 1.830 38 residues pruned to eliminate duplicates Z: 15 26.788 2.120 1.075 0.640 1.000 0.929 CB 1.428 15 residues pruned to eliminate duplicates Z: 16 20.451 2.078 0.495 0.586 1.000 0.733 CB 1.566 16 residues pruned to eliminate duplicates Z: 16 35.657 2.300 0.631 0.896 1.000 0.733 CB 1.759 16 residues pruned to eliminate duplicates Z: 13 28.518 2.336 0.990 0.674 0.833 0.583 CA 1.810 12 residues pruned to eliminate duplicates Z: 69 62.053 2.300 0.823 0.610 0.941 0.691 CB 1.718 69 residues pruned to eliminate duplicates Z: 38 50.354 2.250 0.981 0.714 0.946 0.784 CB 1.617 38 residues pruned to eliminate duplicates Z: 41 29.854 2.223 0.732 0.356 0.875 0.400 CB 1.637 21 residues pruned to eliminate duplicates Z: 95 81.580 2.379 0.748 0.625 0.979 0.766 CB 1.838 95 residues pruned to eliminate duplicates Z: 8 3.303 1.501 0.201 0.524 0.857 0.714 CB 0.789 8 residues pruned to eliminate duplicates Z: 55 56.256 2.373 0.907 0.636 0.926 0.648 CB 1.608 68 residues pruned to eliminate duplicates Z: 79 76.979 2.354 0.991 0.575 0.974 0.705 CB 1.776 79 residues pruned to eliminate duplicates Z: 6 10.828 1.824 0.780 0.846 1.000 0.800 CB 1.108 Z: 65 75.523 2.418 1.084 0.665 0.922 0.750 CB 1.746 65 residues pruned to eliminate duplicates Z: 15 28.643 2.438 0.268 0.856 1.000 0.857 CB 1.826 15 residues pruned to eliminate duplicates Z: 6 3.073 1.490 0.532 0.284 0.800 0.600 CA 0.961 Z: 30 36.212 2.212 0.805 0.568 0.931 0.793 CB 1.694 30 residues pruned to eliminate duplicates Z: 18 48.053 2.216 1.377 0.904 0.941 0.706 C 1.674 18 residues pruned to eliminate duplicates Z: 23 60.384 2.456 1.153 0.780 1.000 0.818 CB 1.902 23 residues pruned to eliminate duplicates Z: 49 67.760 2.382 0.958 0.673 1.000 0.812 CB 1.787 49 residues pruned to eliminate duplicates Z: 7 5.177 1.592 0.414 0.550 0.833 0.667 CB 1.074 7 residues pruned to eliminate duplicates Z: 16 41.909 2.117 1.227 0.919 1.000 0.667 C 1.617 16 residues pruned to eliminate duplicates Z: 6 4.410 1.750 0.432 0.300 0.800 0.600 CA 1.230 Z: 40 35.258 2.333 0.836 0.393 0.872 0.513 CB 1.693 46 residues pruned to eliminate duplicates Z: 50 47.821 2.205 0.851 0.617 0.939 0.735 CB 1.596 50 residues pruned to eliminate duplicates Z: 51 57.900 2.365 1.049 0.625 0.880 0.720 CB 1.706 60 residues pruned to eliminate duplicates Z: 42 62.632 2.283 1.001 0.746 1.000 0.756 CB 1.718 42 residues pruned to eliminate duplicates Z: 66 68.050 2.308 1.061 0.629 0.954 0.738 CB 1.647 66 residues pruned to eliminate duplicates Z: 41 64.572 2.479 1.078 0.638 0.900 0.600 C 1.936 41 residues pruned to eliminate duplicates Z: 9 6.789 1.666 0.788 0.719 0.875 0.750 CB 0.755 Z: 113 87.845 2.348 0.880 0.645 0.929 0.741 CB 1.768 113 residues pruned to eliminate duplicates Z: 7 6.189 1.868 0.496 0.645 0.667 0.500 CB 1.185 7 residues pruned to eliminate duplicates Z: 45 45.421 2.325 0.567 0.616 0.955 0.773 CB 1.766 45 residues pruned to eliminate duplicates Z: 80 78.547 2.376 0.934 0.636 0.975 0.823 CB 1.737 80 residues pruned to eliminate duplicates Z: 15 20.320 2.198 0.726 0.467 0.929 0.643 CA 1.594 15 residues pruned to eliminate duplicates Z: 8 8.973 1.746 0.739 0.756 0.714 0.571 C 1.244 8 residues pruned to eliminate duplicates Z: 26 40.710 2.356 0.658 0.682 0.960 0.760 CB 1.837 26 residues pruned to eliminate duplicates Z: 6 3.139 1.887 -0.253 0.503 1.000 0.800 CB 0.993 Using tripeptides from previous cycle as seeds Z: 17 7.643 1.367 0.332 0.823 1.000 0.812 CB 0.793 Z: 15 6.599 1.379 0.231 0.842 1.000 0.929 CB 0.774 15 residues pruned to eliminate duplicates Z: 7 3.695 1.504 0.337 0.433 0.833 0.667 CB 0.965 7 residues pruned to eliminate duplicates Z: 18 6.102 1.334 0.340 0.757 0.941 0.765 CB 0.700 18 residues pruned to eliminate duplicates Z: 19 7.479 1.372 0.368 0.674 0.944 0.556 CB 0.847 18 residues pruned to eliminate duplicates Z: 15 7.654 1.273 0.478 0.910 1.000 0.643 CB 0.771 15 residues pruned to eliminate duplicates Z: 22 10.059 1.452 0.493 0.730 1.000 0.619 CB 0.823 18 residues pruned to eliminate duplicates Z: 13 7.420 1.326 0.594 0.938 1.000 0.917 CB 0.704 13 residues pruned to eliminate duplicates Z: 22 10.495 1.486 0.508 0.700 0.952 0.762 CB 0.894 21 residues pruned to eliminate duplicates Z: 13 7.090 1.315 0.495 0.904 1.000 0.667 CB 0.742 13 residues pruned to eliminate duplicates Z: 38 23.371 1.751 0.762 0.657 0.946 0.622 CB 1.139 61 residues pruned to eliminate duplicates Z: 22 11.618 1.473 0.637 0.700 1.000 0.619 CB 0.876 Z: 9 6.091 1.338 0.706 0.887 1.000 0.375 CB 0.680 9 residues pruned to eliminate duplicates Z: 27 20.490 1.816 0.770 0.663 0.885 0.577 CB 1.215 27 residues pruned to eliminate duplicates Z: 37 24.506 1.777 0.801 0.661 0.944 0.556 CB 1.164 59 residues pruned to eliminate duplicates Z: 23 13.268 1.561 0.577 0.637 0.955 0.545 CB 1.059 Z: 6 5.342 1.577 0.245 0.811 1.000 0.600 CB 0.928 6 residues pruned to eliminate duplicates Z: 25 26.502 1.927 0.934 0.683 0.958 0.708 CB 1.281 48 residues pruned to eliminate duplicates Z: 26 23.605 1.817 0.870 0.665 0.960 0.680 CB 1.241 26 residues pruned to eliminate duplicates Z: 17 26.918 2.095 1.010 0.648 0.938 0.750 CB 1.486 17 residues pruned to eliminate duplicates Z: 26 23.508 1.865 0.828 0.655 0.960 0.760 CB 1.243 26 residues pruned to eliminate duplicates Z: 16 20.951 2.133 0.820 0.547 0.933 0.600 CB 1.426 16 residues pruned to eliminate duplicates Z: 21 12.640 1.586 0.439 0.710 1.000 0.750 CB 1.023 Z: 6 5.793 1.491 0.538 0.445 1.000 0.400 C 1.195 6 residues pruned to eliminate duplicates Z: 18 22.225 2.111 0.933 0.544 0.941 0.588 CB 1.345 39 residues pruned to eliminate duplicates Z: 35 22.796 1.761 0.774 0.644 0.941 0.706 CB 1.162 35 residues pruned to eliminate duplicates Z: 33 25.129 1.774 0.871 0.666 0.969 0.656 CB 1.186 33 residues pruned to eliminate duplicates Z: 26 25.333 1.824 0.856 0.675 1.000 0.720 CB 1.273 26 residues pruned to eliminate duplicates Z: 28 19.796 1.770 0.613 0.620 0.926 0.630 CB 1.287 28 residues pruned to eliminate duplicates Z: 36 34.987 2.015 1.020 0.611 0.914 0.686 CB 1.431 36 residues pruned to eliminate duplicates Z: 29 33.184 2.257 0.976 0.517 0.857 0.679 CB 1.614 29 residues pruned to eliminate duplicates Z: 45 31.574 1.964 0.942 0.547 0.909 0.614 CB 1.311 45 residues pruned to eliminate duplicates Z: 12 25.558 2.214 1.239 0.520 0.909 0.545 C 1.676 12 residues pruned to eliminate duplicates Z: 11 32.873 2.449 1.257 0.584 0.900 0.700 C 1.928 11 residues pruned to eliminate duplicates Z: 26 19.377 2.008 0.783 0.351 0.880 0.520 CB 1.444 26 residues pruned to eliminate duplicates Z: 38 35.115 2.279 0.717 0.441 0.892 0.514 CB 1.758 38 residues pruned to eliminate duplicates Z: 24 33.708 2.347 0.913 0.457 0.870 0.609 CB 1.881 24 residues pruned to eliminate duplicates Z: 13 13.299 2.292 0.568 0.282 0.750 0.417 CA 1.822 13 residues pruned to eliminate duplicates Z: 21 19.618 2.045 0.695 0.403 0.900 0.500 CB 1.557 21 residues pruned to eliminate duplicates Z: 41 32.658 2.248 0.776 0.347 0.875 0.425 CB 1.745 41 residues pruned to eliminate duplicates Z: 39 25.201 2.137 0.766 0.335 0.868 0.395 CB 1.494 39 residues pruned to eliminate duplicates Z: 20 13.463 2.077 0.722 0.361 0.789 0.421 CB 1.271 20 residues pruned to eliminate duplicates Z: 100 76.046 2.347 0.965 0.557 0.929 0.636 CB 1.688 100 residues pruned to eliminate duplicates Z: 143 93.643 2.374 0.905 0.583 0.923 0.704 CB 1.739 143 residues pruned to eliminate duplicates Z: 19 18.447 2.166 0.854 0.369 0.833 0.389 CB 1.495 19 residues pruned to eliminate duplicates Z: 146 94.109 2.375 0.865 0.583 0.945 0.710 CB 1.724 146 residues pruned to eliminate duplicates Z: 130 90.266 2.405 0.829 0.580 0.946 0.667 CB 1.768 130 residues pruned to eliminate duplicates Z: 26 25.966 2.233 0.845 0.443 0.800 0.480 CB 1.671 26 residues pruned to eliminate duplicates Z: 34 25.841 2.158 0.799 0.380 0.818 0.424 CB 1.609 34 residues pruned to eliminate duplicates Z: 101 73.366 2.326 0.908 0.564 0.920 0.710 CB 1.690 101 residues pruned to eliminate duplicates Z: 145 93.717 2.384 0.879 0.572 0.951 0.694 CB 1.710 145 residues pruned to eliminate duplicates Z: 41 28.056 2.220 0.681 0.348 0.825 0.375 CB 1.700 41 residues pruned to eliminate duplicates Z: 131 93.543 2.383 0.803 0.608 0.977 0.708 CB 1.764 131 residues pruned to eliminate duplicates Z: 21 31.357 2.372 0.884 0.436 0.900 0.450 C 1.864 21 residues pruned to eliminate duplicates Z: 21 29.233 2.433 0.783 0.447 0.900 0.450 CB 1.769 21 residues pruned to eliminate duplicates Z: 21 31.703 2.366 0.923 0.428 0.900 0.400 C 1.865 21 residues pruned to eliminate duplicates Z: 21 34.233 2.385 0.912 0.481 0.900 0.450 CB 1.900 21 residues pruned to eliminate duplicates Z: 65 67.455 2.349 0.982 0.611 0.922 0.688 CB 1.768 65 residues pruned to eliminate duplicates Z: 13 17.153 2.458 0.941 0.229 0.750 0.250 C 1.899 13 residues pruned to eliminate duplicates Z: 61 68.874 2.421 0.962 0.646 0.900 0.683 CB 1.814 61 residues pruned to eliminate duplicates Z: 21 26.899 2.346 0.921 0.445 0.750 0.450 CB 1.882 21 residues pruned to eliminate duplicates Z: 59 70.368 2.436 0.958 0.645 0.931 0.707 CB 1.817 59 residues pruned to eliminate duplicates Z: 124 100.399 2.443 0.873 0.634 0.951 0.715 CB 1.834 124 residues pruned to eliminate duplicates Z: 14 12.607 2.334 0.773 0.174 0.692 0.000 CB 1.813 14 residues pruned to eliminate duplicates Z: 60 77.223 2.428 1.007 0.672 0.949 0.712 CB 1.855 60 residues pruned to eliminate duplicates Z: 14 11.158 2.277 0.624 0.156 0.769 0.077 C 1.658 14 residues pruned to eliminate duplicates Z: 20 32.888 2.478 0.813 0.449 0.947 0.421 CB 1.868 20 residues pruned to eliminate duplicates Z: 12 13.063 2.396 0.750 0.167 0.818 0.091 CB 1.721 12 residues pruned to eliminate duplicates Z: 72 66.832 2.335 0.970 0.601 0.915 0.634 CB 1.711 72 residues pruned to eliminate duplicates Z: 126 99.858 2.411 0.902 0.620 0.968 0.712 CB 1.796 126 residues pruned to eliminate duplicates Z: 88 82.737 2.426 1.001 0.594 0.931 0.701 CB 1.794 88 residues pruned to eliminate duplicates Z: 108 82.893 2.381 0.978 0.549 0.953 0.598 CB 1.701 108 residues pruned to eliminate duplicates Z: 59 72.137 2.447 0.980 0.649 0.914 0.690 CB 1.862 59 residues pruned to eliminate duplicates Z: 138 89.562 2.379 0.823 0.602 0.934 0.686 CB 1.713 138 residues pruned to eliminate duplicates Z: 43 63.622 2.331 0.965 0.756 1.000 0.786 CB 1.706 43 residues pruned to eliminate duplicates Z: 115 92.579 2.443 0.876 0.607 0.956 0.711 CB 1.787 115 residues pruned to eliminate duplicates Z: 131 97.490 2.393 0.884 0.613 0.962 0.708 CB 1.773 131 residues pruned to eliminate duplicates Z: 88 80.738 2.427 0.965 0.599 0.920 0.759 CB 1.795 88 residues pruned to eliminate duplicates Z: 125 94.791 2.422 0.841 0.628 0.952 0.758 CB 1.779 125 residues pruned to eliminate duplicates Z: 72 73.040 2.392 1.014 0.615 0.915 0.676 CB 1.763 72 residues pruned to eliminate duplicates Z: 137 90.424 2.356 0.869 0.598 0.934 0.669 CB 1.716 137 residues pruned to eliminate duplicates Z: 147 90.428 2.358 0.880 0.579 0.925 0.685 CB 1.692 146 residues pruned to eliminate duplicates Z: 26 64.353 2.405 1.041 0.921 1.000 0.840 C 1.845 26 residues pruned to eliminate duplicates Z: 73 70.236 2.335 1.037 0.592 0.931 0.611 CB 1.713 73 residues pruned to eliminate duplicates Z: 75 68.118 2.278 1.012 0.605 0.932 0.595 CB 1.677 75 residues pruned to eliminate duplicates Z: 75 68.148 2.299 1.057 0.590 0.919 0.676 CB 1.673 75 residues pruned to eliminate duplicates Z: 58 74.628 2.443 1.084 0.629 0.930 0.667 CB 1.850 58 residues pruned to eliminate duplicates Z: 69 80.602 2.425 1.027 0.648 0.985 0.735 CB 1.758 69 residues pruned to eliminate duplicates Z: 124 99.575 2.434 0.945 0.609 0.951 0.675 CB 1.798 124 residues pruned to eliminate duplicates Z: 107 96.860 2.358 0.969 0.661 0.991 0.755 CB 1.762 107 residues pruned to eliminate duplicates Z: 125 101.782 2.421 0.978 0.626 0.944 0.710 CB 1.796 125 residues pruned to eliminate duplicates Z: 42 68.069 2.337 1.169 0.734 0.976 0.732 C 1.742 42 residues pruned to eliminate duplicates Z: 64 68.718 2.356 1.058 0.628 0.905 0.635 CB 1.751 64 residues pruned to eliminate duplicates Z: 57 71.916 2.424 1.145 0.640 0.893 0.679 CB 1.816 57 residues pruned to eliminate duplicates Z: 90 82.990 2.392 1.073 0.593 0.933 0.685 CB 1.741 90 residues pruned to eliminate duplicates Z: 123 99.986 2.436 0.949 0.630 0.943 0.705 CB 1.790 123 residues pruned to eliminate duplicates Z: 44 73.578 2.359 1.185 0.750 1.000 0.744 CB 1.741 44 residues pruned to eliminate duplicates Z: 122 92.908 2.388 0.972 0.585 0.950 0.678 CB 1.740 122 residues pruned to eliminate duplicates Z: 125 99.367 2.415 0.958 0.614 0.944 0.702 CB 1.795 125 residues pruned to eliminate duplicates Z: 124 100.615 2.424 0.977 0.623 0.951 0.707 CB 1.772 124 residues pruned to eliminate duplicates Z: 124 101.699 2.426 0.976 0.625 0.951 0.732 CB 1.788 124 residues pruned to eliminate duplicates Z: 123 103.230 2.434 0.938 0.637 0.959 0.730 CB 1.817 123 residues pruned to eliminate duplicates Z: 67 66.984 2.324 1.005 0.632 0.924 0.682 CB 1.691 67 residues pruned to eliminate duplicates Z: 70 73.326 2.376 1.015 0.647 0.928 0.696 CB 1.733 70 residues pruned to eliminate duplicates Z: 77 66.862 2.354 0.842 0.575 0.961 0.605 CB 1.713 77 residues pruned to eliminate duplicates Z: 105 94.203 2.411 0.942 0.623 0.981 0.702 CB 1.792 105 residues pruned to eliminate duplicates Z: 74 63.049 2.355 0.795 0.571 0.945 0.740 CB 1.724 74 residues pruned to eliminate duplicates Z: 107 96.320 2.387 0.956 0.667 0.972 0.736 CB 1.768 107 residues pruned to eliminate duplicates Z: 181 91.246 2.250 0.864 0.595 0.944 0.656 CB 1.567 181 residues pruned to eliminate duplicates Z: 135 100.659 2.413 0.951 0.606 0.940 0.687 CB 1.777 135 residues pruned to eliminate duplicates Z: 88 82.963 2.431 1.093 0.591 0.897 0.667 CB 1.787 88 residues pruned to eliminate duplicates Z: 89 82.250 2.399 1.121 0.585 0.909 0.670 CB 1.748 89 residues pruned to eliminate duplicates Z: 126 102.385 2.420 0.948 0.631 0.960 0.736 CB 1.789 126 residues pruned to eliminate duplicates Z: 109 90.760 2.373 1.079 0.567 0.926 0.630 CB 1.791 109 residues pruned to eliminate duplicates Z: 144 103.495 2.396 1.003 0.592 0.944 0.692 CB 1.749 144 residues pruned to eliminate duplicates Z: 105 94.505 2.405 0.894 0.673 0.981 0.779 CB 1.768 105 residues pruned to eliminate duplicates Z: 73 68.514 2.359 0.852 0.597 0.986 0.694 CB 1.709 73 residues pruned to eliminate duplicates Z: 70 78.718 2.380 1.096 0.579 0.986 0.710 CB 1.785 70 residues pruned to eliminate duplicates Z: 130 101.764 2.400 0.952 0.628 0.953 0.705 CB 1.778 130 residues pruned to eliminate duplicates Z: 145 102.726 2.380 0.936 0.603 0.951 0.688 CB 1.771 145 residues pruned to eliminate duplicates Z: 73 69.025 2.373 0.803 0.597 0.986 0.736 CB 1.757 73 residues pruned to eliminate duplicates Z: 134 103.848 2.402 0.952 0.613 0.962 0.744 CB 1.793 134 residues pruned to eliminate duplicates Z: 91 80.069 2.378 1.068 0.567 0.933 0.622 CB 1.723 91 residues pruned to eliminate duplicates Z: 123 100.298 2.436 0.951 0.628 0.934 0.705 CB 1.812 125 residues pruned to eliminate duplicates Z: 7 7.732 1.837 0.450 0.489 1.000 0.500 C 1.198 7 residues pruned to eliminate duplicates Z: 143 95.618 2.376 0.906 0.582 0.944 0.669 CB 1.735 143 residues pruned to eliminate duplicates Z: 94 82.685 2.354 1.068 0.575 0.946 0.677 CB 1.732 94 residues pruned to eliminate duplicates Z: 107 92.694 2.389 0.923 0.644 0.972 0.717 CB 1.763 107 residues pruned to eliminate duplicates Z: 51 38.734 2.142 0.855 0.451 0.920 0.680 CB 1.576 51 residues pruned to eliminate duplicates Z: 88 85.278 2.424 1.058 0.589 0.931 0.724 CB 1.807 88 residues pruned to eliminate duplicates Z: 124 102.346 2.419 1.000 0.599 0.959 0.715 CB 1.809 124 residues pruned to eliminate duplicates Z: 125 106.055 2.426 1.015 0.637 0.960 0.734 CB 1.786 125 residues pruned to eliminate duplicates Z: 93 82.357 2.437 1.014 0.570 0.924 0.663 CB 1.770 93 residues pruned to eliminate duplicates Z: 105 99.979 2.420 0.992 0.674 0.971 0.750 CB 1.784 105 residues pruned to eliminate duplicates Z: 89 88.469 2.426 1.106 0.609 0.932 0.727 CB 1.787 89 residues pruned to eliminate duplicates Z: 77 71.580 2.385 0.798 0.593 1.000 0.750 CB 1.753 77 residues pruned to eliminate duplicates Z: 145 98.836 2.374 0.939 0.588 0.944 0.694 CB 1.741 145 residues pruned to eliminate duplicates Z: 40 55.971 2.420 0.720 0.693 0.974 0.744 CB 1.853 40 residues pruned to eliminate duplicates Z: 41 51.055 2.378 0.658 0.657 0.975 0.850 CB 1.816 41 residues pruned to eliminate duplicates Z: 72 61.745 2.361 0.779 0.582 0.958 0.775 CB 1.682 72 residues pruned to eliminate duplicates Z: 59 58.389 2.354 0.743 0.588 0.983 0.776 CB 1.747 59 residues pruned to eliminate duplicates Z: 42 51.344 2.383 0.723 0.631 0.951 0.805 CB 1.816 42 residues pruned to eliminate duplicates Z: 42 46.426 2.371 0.594 0.642 0.951 0.707 CB 1.766 42 residues pruned to eliminate duplicates Z: 42 45.825 2.347 0.587 0.641 0.951 0.756 CB 1.771 42 residues pruned to eliminate duplicates Z: 43 52.617 2.366 0.676 0.672 0.952 0.810 CB 1.834 42 residues pruned to eliminate duplicates Z: 16 33.399 2.425 0.449 0.882 1.000 0.800 CB 1.776 16 residues pruned to eliminate duplicates Z: 43 51.118 2.377 0.579 0.680 1.000 0.762 CB 1.780 43 residues pruned to eliminate duplicates Z: 40 56.483 2.416 0.705 0.674 1.000 0.821 CB 1.871 40 residues pruned to eliminate duplicates Z: 42 50.543 2.350 0.737 0.630 0.976 0.805 CB 1.754 42 residues pruned to eliminate duplicates Z: 42 53.240 2.357 0.815 0.642 0.951 0.854 CB 1.790 42 residues pruned to eliminate duplicates Z: 59 54.048 2.343 0.629 0.576 0.966 0.776 CB 1.790 59 residues pruned to eliminate duplicates Z: 105 97.120 2.410 0.955 0.668 0.971 0.788 CB 1.782 105 residues pruned to eliminate duplicates Z: 46 49.660 2.271 0.723 0.627 0.956 0.667 CB 1.757 46 residues pruned to eliminate duplicates Z: 126 100.632 2.412 0.946 0.627 0.960 0.712 CB 1.773 126 residues pruned to eliminate duplicates Z: 51 40.083 2.197 0.612 0.572 0.920 0.700 CB 1.623 51 residues pruned to eliminate duplicates Z: 42 53.328 2.356 0.719 0.656 1.000 0.780 CB 1.778 42 residues pruned to eliminate duplicates Z: 124 101.224 2.418 0.941 0.623 0.959 0.732 CB 1.805 124 residues pruned to eliminate duplicates Z: 41 58.519 2.377 0.873 0.670 0.975 0.725 CB 1.823 41 residues pruned to eliminate duplicates Z: 105 91.671 2.417 0.881 0.626 0.962 0.740 CB 1.827 105 residues pruned to eliminate duplicates Z: 37 52.323 2.341 0.810 0.680 0.944 0.806 CB 1.848 37 residues pruned to eliminate duplicates Z: 125 98.628 2.418 0.908 0.625 0.960 0.685 CB 1.778 125 residues pruned to eliminate duplicates Z: 42 52.465 2.381 0.729 0.660 0.951 0.780 CB 1.803 42 residues pruned to eliminate duplicates Z: 42 50.888 2.312 0.746 0.657 0.951 0.780 CB 1.790 42 residues pruned to eliminate duplicates Z: 40 55.335 2.419 0.714 0.689 0.974 0.769 CB 1.843 40 residues pruned to eliminate duplicates Z: 139 97.300 2.381 0.885 0.595 0.957 0.659 CB 1.762 139 residues pruned to eliminate duplicates Z: 43 53.843 2.367 0.707 0.666 0.952 0.714 CB 1.852 43 residues pruned to eliminate duplicates Z: 44 50.426 2.342 0.715 0.640 0.930 0.721 CB 1.805 44 residues pruned to eliminate duplicates Z: 128 97.274 2.394 0.945 0.591 0.953 0.701 CB 1.783 128 residues pruned to eliminate duplicates Z: 41 55.810 2.372 0.752 0.680 0.975 0.825 CB 1.846 41 residues pruned to eliminate duplicates Z: 108 99.042 2.391 0.945 0.674 0.972 0.822 CB 1.804 108 residues pruned to eliminate duplicates Z: 144 98.262 2.373 0.928 0.584 0.951 0.664 CB 1.742 144 residues pruned to eliminate duplicates Z: 76 77.048 2.386 0.772 0.670 0.987 0.760 CB 1.823 35 residues pruned to eliminate duplicates Z: 17 32.915 2.325 0.499 0.841 1.000 0.875 CB 1.761 17 residues pruned to eliminate duplicates Z: 42 52.415 2.350 0.789 0.661 0.976 0.732 CB 1.718 42 residues pruned to eliminate duplicates Z: 51 49.528 2.302 0.799 0.601 0.940 0.720 CB 1.634 51 residues pruned to eliminate duplicates Z: 51 57.963 2.312 0.877 0.667 0.960 0.820 CB 1.686 51 residues pruned to eliminate duplicates Z: 43 55.240 2.346 0.823 0.663 0.976 0.786 CB 1.755 43 residues pruned to eliminate duplicates Z: 17 25.075 2.262 0.183 0.895 1.000 0.875 CB 1.679 17 residues pruned to eliminate duplicates Z: 42 58.981 2.380 0.860 0.666 0.976 0.756 CB 1.828 42 residues pruned to eliminate duplicates Z: 37 50.661 2.355 0.735 0.705 0.944 0.806 CB 1.815 37 residues pruned to eliminate duplicates Z: 38 49.372 2.366 0.741 0.663 1.000 0.757 CB 1.694 38 residues pruned to eliminate duplicates Z: 42 59.756 2.365 0.927 0.647 0.976 0.707 CB 1.830 42 residues pruned to eliminate duplicates Z: 16 37.537 2.310 0.797 0.849 1.000 0.733 CB 1.731 16 residues pruned to eliminate duplicates Z: 45 55.553 2.323 0.876 0.598 0.977 0.682 CB 1.792 45 residues pruned to eliminate duplicates Z: 51 65.854 2.349 1.123 0.620 0.960 0.700 CB 1.737 51 residues pruned to eliminate duplicates Z: 46 56.474 2.263 0.931 0.606 1.000 0.756 CB 1.743 46 residues pruned to eliminate duplicates Z: 16 43.863 2.362 0.949 0.873 1.000 0.600 CB 1.792 16 residues pruned to eliminate duplicates Z: 38 52.804 2.322 0.804 0.684 0.973 0.838 CB 1.800 38 residues pruned to eliminate duplicates Z: 48 62.715 2.392 0.827 0.653 1.000 0.809 CB 1.815 48 residues pruned to eliminate duplicates Z: 40 58.423 2.410 0.870 0.665 0.974 0.769 CB 1.828 40 residues pruned to eliminate duplicates Z: 50 58.918 2.351 0.848 0.636 0.980 0.755 CB 1.741 50 residues pruned to eliminate duplicates Z: 84 67.010 2.297 0.788 0.619 0.964 0.735 CB 1.660 84 residues pruned to eliminate duplicates Z: 42 56.663 2.349 0.926 0.643 0.951 0.805 CB 1.799 42 residues pruned to eliminate duplicates Z: 36 55.750 2.351 0.861 0.718 0.971 0.800 CB 1.821 36 residues pruned to eliminate duplicates Z: 10 37.542 2.398 1.024 0.860 1.000 1.000 C 1.896 10 residues pruned to eliminate duplicates Z: 43 59.539 2.349 0.901 0.658 0.952 0.786 CB 1.865 43 residues pruned to eliminate duplicates Z: 42 57.253 2.341 0.909 0.654 1.000 0.756 CB 1.734 42 residues pruned to eliminate duplicates Z: 51 69.244 2.350 1.072 0.672 0.980 0.820 CB 1.751 51 residues pruned to eliminate duplicates Z: 6 7.974 1.803 0.893 0.458 0.800 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 41 62.830 2.378 0.956 0.680 0.975 0.850 CB 1.857 41 residues pruned to eliminate duplicates Z: 52 52.230 2.283 0.828 0.608 0.961 0.804 CB 1.646 52 residues pruned to eliminate duplicates Z: 42 64.216 2.347 0.975 0.691 0.976 0.707 CB 1.862 42 residues pruned to eliminate duplicates Z: 81 92.891 2.437 1.110 0.674 0.950 0.775 CB 1.810 81 residues pruned to eliminate duplicates Z: 88 76.922 2.356 1.082 0.579 0.920 0.667 CB 1.695 88 residues pruned to eliminate duplicates Z: 49 65.141 2.390 0.898 0.696 0.979 0.833 CB 1.770 50 residues pruned to eliminate duplicates Z: 6 4.359 1.533 0.581 0.287 1.000 0.400 CB 1.022 6 residues pruned to eliminate duplicates Z: 108 84.983 2.375 0.955 0.631 0.888 0.636 CB 1.763 108 residues pruned to eliminate duplicates Z: 39 52.901 2.377 0.790 0.682 0.947 0.737 CB 1.802 39 residues pruned to eliminate duplicates Z: 38 59.026 2.399 0.894 0.665 0.973 0.622 CB 1.884 38 residues pruned to eliminate duplicates Z: 36 61.396 2.489 0.921 0.702 0.914 0.743 CB 1.975 36 residues pruned to eliminate duplicates Z: 38 61.611 2.400 0.994 0.674 0.973 0.649 CB 1.853 38 residues pruned to eliminate duplicates Z: 39 58.056 2.364 1.020 0.680 0.921 0.632 CB 1.814 39 residues pruned to eliminate duplicates Z: 36 52.534 2.319 0.936 0.657 0.971 0.600 CB 1.760 36 residues pruned to eliminate duplicates Z: 37 62.197 2.452 0.948 0.668 0.972 0.611 CB 1.912 37 residues pruned to eliminate duplicates Z: 37 63.147 2.457 1.048 0.670 0.944 0.639 CB 1.893 37 residues pruned to eliminate duplicates Z: 38 57.359 2.380 0.984 0.666 0.919 0.649 CB 1.864 38 residues pruned to eliminate duplicates Z: 37 63.830 2.451 1.127 0.686 0.917 0.722 CB 1.876 37 residues pruned to eliminate duplicates Z: 39 62.856 2.385 1.091 0.678 0.947 0.684 CB 1.832 39 residues pruned to eliminate duplicates Z: 34 54.846 2.287 0.997 0.691 0.939 0.667 CB 1.869 34 residues pruned to eliminate duplicates Z: 37 71.538 2.425 1.214 0.684 0.972 0.611 CB 1.929 37 residues pruned to eliminate duplicates Z: 37 67.799 2.451 1.165 0.691 0.944 0.722 CB 1.892 37 residues pruned to eliminate duplicates Z: 52 65.400 2.390 1.146 0.602 0.922 0.627 CB 1.757 52 residues pruned to eliminate duplicates Z: 35 58.613 2.367 1.121 0.664 0.941 0.647 CB 1.828 35 residues pruned to eliminate duplicates Z: 38 66.263 2.367 1.174 0.671 0.973 0.568 CB 1.857 38 residues pruned to eliminate duplicates Z: 37 67.327 2.444 1.257 0.670 0.917 0.639 CB 1.896 37 residues pruned to eliminate duplicates Z: 38 61.170 2.382 1.059 0.660 0.973 0.676 CB 1.817 38 residues pruned to eliminate duplicates Z: 38 65.100 2.417 1.110 0.664 0.973 0.730 CB 1.853 38 residues pruned to eliminate duplicates Z: 33 64.416 2.402 1.047 0.716 1.000 0.719 C 1.904 33 residues pruned to eliminate duplicates Z: 39 62.383 2.345 1.094 0.649 0.974 0.711 C 1.843 39 residues pruned to eliminate duplicates Z: 38 60.466 2.393 1.053 0.663 0.946 0.811 CB 1.839 38 residues pruned to eliminate duplicates Z: 39 58.287 2.355 1.029 0.672 0.947 0.684 CB 1.781 39 residues pruned to eliminate duplicates Z: 37 61.415 2.435 1.040 0.662 0.944 0.639 CB 1.877 37 residues pruned to eliminate duplicates Z: 38 65.017 2.372 1.147 0.681 0.946 0.676 CB 1.877 38 residues pruned to eliminate duplicates Z: 37 58.773 2.436 1.011 0.642 0.944 0.667 CB 1.853 37 residues pruned to eliminate duplicates Z: 38 61.810 2.387 1.134 0.638 0.946 0.595 CB 1.853 38 residues pruned to eliminate duplicates Z: 38 65.673 2.390 1.194 0.662 0.946 0.730 CB 1.873 38 residues pruned to eliminate duplicates Z: 37 66.121 2.424 1.012 0.678 1.000 0.667 CB 1.919 37 residues pruned to eliminate duplicates Z: 49 67.759 2.356 1.156 0.618 0.958 0.625 CB 1.798 49 residues pruned to eliminate duplicates Z: 24 32.011 2.366 1.181 0.463 0.826 0.609 CB 1.626 24 residues pruned to eliminate duplicates Z: 48 69.414 2.411 1.155 0.613 0.936 0.745 CB 1.871 48 residues pruned to eliminate duplicates Z: 10 23.387 2.438 1.115 0.548 0.778 0.778 CB 1.854 10 residues pruned to eliminate duplicates Z: 6 6.340 1.947 0.276 0.400 1.000 0.600 CA 1.268 6 residues pruned to eliminate duplicates Z: 56 59.237 2.358 1.077 0.544 0.909 0.600 CB 1.719 56 residues pruned to eliminate duplicates Z: 12 18.171 2.349 1.012 0.368 0.727 0.545 CB 1.836 12 residues pruned to eliminate duplicates Z: 42 28.171 2.301 0.709 0.330 0.878 0.463 CB 1.535 42 residues pruned to eliminate duplicates Z: 26 23.839 2.244 0.783 0.358 0.880 0.480 CB 1.578 26 residues pruned to eliminate duplicates Z: 15 17.054 2.405 0.902 0.325 0.786 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 14 27.965 2.379 1.358 0.524 0.846 0.538 CB 1.596 18 residues pruned to eliminate duplicates Z: 7 2.351 1.378 0.520 0.232 0.667 0.667 N 0.939 Z: 7 14.676 2.037 1.053 0.404 1.000 0.833 C 1.586 5 residues pruned to eliminate duplicates Z: 7 13.167 2.034 0.726 0.465 1.000 0.333 C 1.587 7 residues pruned to eliminate duplicates Z: 6 8.323 1.889 0.748 0.405 1.000 0.800 CA 1.245 4 residues pruned to eliminate duplicates Z: 6 6.542 1.490 0.915 0.480 1.000 1.000 CA 1.046 Z: 6 5.539 1.601 0.714 0.425 0.800 0.600 CA 1.219 12 residues pruned to eliminate duplicates Z: 33 25.281 2.181 0.881 0.399 0.812 0.562 CB 1.491 33 residues pruned to eliminate duplicates Z: 37 25.971 2.264 0.682 0.396 0.861 0.361 CB 1.473 48 residues pruned to eliminate duplicates Z: 33 25.132 2.211 0.749 0.373 0.844 0.469 CB 1.560 33 residues pruned to eliminate duplicates Z: 89 66.726 2.353 0.891 0.567 0.909 0.659 CB 1.648 89 residues pruned to eliminate duplicates Z: 37 26.607 2.195 0.812 0.375 0.889 0.528 CB 1.433 37 residues pruned to eliminate duplicates Z: 80 65.666 2.312 0.976 0.632 0.886 0.709 CB 1.613 80 residues pruned to eliminate duplicates Z: 28 24.984 2.149 0.756 0.380 0.926 0.481 CB 1.564 28 residues pruned to eliminate duplicates Z: 42 28.152 2.233 0.776 0.368 0.829 0.415 CB 1.540 42 residues pruned to eliminate duplicates Z: 45 33.848 2.310 0.802 0.413 0.909 0.432 CB 1.477 45 residues pruned to eliminate duplicates Z: 72 70.187 2.365 0.998 0.613 0.930 0.676 CB 1.703 72 residues pruned to eliminate duplicates Z: 14 6.594 1.839 0.548 0.171 0.769 0.077 CB 1.244 14 residues pruned to eliminate duplicates Z: 67 64.063 2.373 0.893 0.622 0.924 0.697 CB 1.694 67 residues pruned to eliminate duplicates Z: 32 23.597 2.210 0.636 0.407 0.871 0.387 CB 1.483 32 residues pruned to eliminate duplicates Z: 59 71.333 2.420 0.964 0.677 0.948 0.707 CB 1.765 59 residues pruned to eliminate duplicates Z: 68 62.996 2.345 0.849 0.655 0.925 0.687 CB 1.661 68 residues pruned to eliminate duplicates Z: 41 72.251 2.493 1.017 0.750 0.950 0.775 CB 1.913 41 residues pruned to eliminate duplicates Z: 69 59.537 2.307 0.923 0.642 0.868 0.721 CB 1.642 69 residues pruned to eliminate duplicates Z: 75 68.428 2.371 0.904 0.626 0.919 0.730 CB 1.703 75 residues pruned to eliminate duplicates Z: 44 73.239 2.480 1.053 0.725 0.977 0.767 CB 1.833 44 residues pruned to eliminate duplicates Z: 73 69.429 2.367 0.988 0.631 0.917 0.694 CB 1.677 73 residues pruned to eliminate duplicates Z: 51 71.980 2.376 1.117 0.747 0.960 0.780 CB 1.689 51 residues pruned to eliminate duplicates Z: 82 73.984 2.352 1.077 0.608 0.926 0.679 CB 1.640 82 residues pruned to eliminate duplicates Z: 89 77.283 2.365 1.075 0.593 0.932 0.648 CB 1.648 89 residues pruned to eliminate duplicates Z: 52 72.874 2.385 1.109 0.733 0.961 0.804 CB 1.713 52 residues pruned to eliminate duplicates Z: 66 68.759 2.404 1.030 0.597 0.908 0.615 CB 1.755 66 residues pruned to eliminate duplicates Z: 50 78.476 2.400 1.185 0.739 0.980 0.694 CB 1.761 50 residues pruned to eliminate duplicates Z: 81 65.614 2.310 0.987 0.619 0.863 0.688 CB 1.655 81 residues pruned to eliminate duplicates Z: 66 73.158 2.391 1.056 0.627 0.938 0.723 CB 1.745 66 residues pruned to eliminate duplicates Z: 41 80.858 2.519 1.190 0.788 0.950 0.850 CB 1.894 41 residues pruned to eliminate duplicates Z: 80 69.539 2.332 1.031 0.612 0.911 0.633 CB 1.631 80 residues pruned to eliminate duplicates Z: 66 70.898 2.381 1.072 0.598 0.908 0.677 CB 1.788 66 residues pruned to eliminate duplicates Z: 43 78.235 2.477 1.103 0.761 1.000 0.738 CB 1.837 43 residues pruned to eliminate duplicates Z: 81 68.692 2.331 1.058 0.627 0.887 0.663 CB 1.602 81 residues pruned to eliminate duplicates Z: 69 69.637 2.385 1.063 0.598 0.897 0.662 CB 1.742 69 residues pruned to eliminate duplicates Z: 45 73.554 2.410 1.089 0.733 0.977 0.818 CB 1.828 45 residues pruned to eliminate duplicates Z: 67 66.629 2.360 1.053 0.633 0.848 0.652 CB 1.762 67 residues pruned to eliminate duplicates Z: 51 68.395 2.338 1.128 0.758 0.920 0.800 CB 1.680 51 residues pruned to eliminate duplicates Z: 29 74.000 2.464 1.221 0.889 0.964 0.786 C 1.908 29 residues pruned to eliminate duplicates Z: 74 68.859 2.405 1.014 0.584 0.877 0.671 CB 1.751 74 residues pruned to eliminate duplicates Z: 45 69.458 2.457 1.159 0.686 0.955 0.705 CB 1.744 45 residues pruned to eliminate duplicates Z: 70 68.594 2.298 1.052 0.657 0.928 0.681 CB 1.632 70 residues pruned to eliminate duplicates Z: 75 75.893 2.361 1.059 0.629 0.946 0.676 CB 1.700 75 residues pruned to eliminate duplicates Z: 51 79.797 2.397 1.227 0.753 0.980 0.760 CB 1.721 51 residues pruned to eliminate duplicates Z: 51 71.030 2.353 1.172 0.726 0.940 0.680 CB 1.704 51 residues pruned to eliminate duplicates Z: 70 72.257 2.354 1.091 0.619 0.913 0.725 CB 1.729 70 residues pruned to eliminate duplicates Z: 74 72.948 2.332 1.109 0.632 0.932 0.658 CB 1.646 74 residues pruned to eliminate duplicates Z: 24 22.071 2.088 1.071 0.601 0.783 0.652 CB 1.235 24 residues pruned to eliminate duplicates Z: 14 27.226 2.271 1.263 0.637 0.923 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 51 70.787 2.373 1.124 0.753 0.920 0.760 CB 1.723 51 residues pruned to eliminate duplicates Z: 50 71.660 2.429 1.100 0.745 0.918 0.755 CB 1.756 50 residues pruned to eliminate duplicates Z: 49 65.900 2.390 1.142 0.681 0.917 0.667 CB 1.716 49 residues pruned to eliminate duplicates Z: 52 55.873 2.330 1.103 0.659 0.882 0.706 CB 1.561 52 residues pruned to eliminate duplicates Z: 74 68.456 2.348 0.993 0.642 0.904 0.658 CB 1.658 74 residues pruned to eliminate duplicates Z: 50 73.774 2.371 1.092 0.761 0.959 0.796 CB 1.757 50 residues pruned to eliminate duplicates Z: 23 33.201 2.103 1.249 0.677 0.955 0.636 CB 1.331 23 residues pruned to eliminate duplicates Z: 82 71.808 2.333 1.076 0.609 0.901 0.679 CB 1.648 82 residues pruned to eliminate duplicates Z: 76 67.369 2.367 1.015 0.630 0.880 0.653 CB 1.640 76 residues pruned to eliminate duplicates Z: 56 67.778 2.356 1.087 0.695 0.927 0.709 CB 1.677 56 residues pruned to eliminate duplicates Z: 74 67.833 2.357 0.900 0.627 0.932 0.726 CB 1.688 74 residues pruned to eliminate duplicates Z: 71 68.129 2.299 0.968 0.656 0.943 0.629 CB 1.651 71 residues pruned to eliminate duplicates 294 residues left after pruning, divided into chains as follows: A: 283 B: 6 C: 5 CC for partial structure against native data = 41.19 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.493, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.561, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.813 for dens.mod. cycle 3 = 0.300, Contrast = 0.661, Connect. = 0.817 for dens.mod. cycle 4 = 0.300, Contrast = 0.667, Connect. = 0.820 for dens.mod. cycle 5 = 0.300, Contrast = 0.668, Connect. = 0.821 for dens.mod. cycle 6 = 0.300, Contrast = 0.670, Connect. = 0.823 for dens.mod. cycle 7 = 0.300, Contrast = 0.670, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.670, Connect. = 0.825 for dens.mod. cycle 9 = 0.300, Contrast = 0.669, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2747 peaks > 0.5 sigma used to seed fragment search Space for about 411 unique residues taking solvent into account 539 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 65.118 2.415 0.945 0.928 1.000 0.852 CB 1.868 B: 25 72.278 2.520 1.033 0.944 1.000 0.917 C 1.994 C: 21 54.852 2.448 0.826 0.922 1.000 0.900 C 1.930 21 residues pruned to eliminate duplicates D: 37 71.104 2.428 1.229 0.687 0.972 0.722 CB 1.897 E: 25 66.407 2.499 0.893 0.938 1.000 0.875 C 1.992 25 residues pruned to eliminate duplicates F: 29 64.405 2.378 1.001 0.929 1.000 0.857 CB 1.790 29 residues pruned to eliminate duplicates G: 27 58.824 2.358 0.798 0.935 1.000 0.846 CB 1.897 27 residues pruned to eliminate duplicates H: 31 68.506 2.433 1.155 0.728 1.000 0.767 C 1.943 31 residues pruned to eliminate duplicates I: 28 59.417 2.396 0.766 0.936 1.000 0.926 CB 1.881 28 residues pruned to eliminate duplicates J: 26 69.072 2.422 1.020 0.938 1.000 0.880 CB 1.964 26 residues pruned to eliminate duplicates K: 28 69.605 2.427 1.012 0.945 1.000 0.852 CB 1.899 28 residues pruned to eliminate duplicates L: 26 61.410 2.436 0.930 0.927 0.960 0.960 CB 1.906 26 residues pruned to eliminate duplicates M: 20 28.930 2.094 1.095 0.486 0.947 0.632 CB 1.621 N: 27 60.424 2.480 0.772 0.951 1.000 0.808 CB 1.859 27 residues pruned to eliminate duplicates O: 11 25.464 2.194 0.592 0.829 1.000 0.600 CA 1.734 P: 10 32.937 2.335 0.780 0.865 1.000 0.667 N 1.935 11 residues pruned to eliminate duplicates Q: 73 75.752 2.366 1.098 0.592 0.931 0.694 CB 1.770 38 residues pruned to eliminate duplicates R: 26 65.833 2.435 1.022 0.947 1.000 0.880 CB 1.848 26 residues pruned to eliminate duplicates S: 7 9.247 1.936 0.306 0.622 0.833 0.667 CB 1.598 T: 24 66.502 2.489 1.002 0.935 1.000 0.957 C 1.940 24 residues pruned to eliminate duplicates U: 27 69.886 2.456 1.139 0.951 0.962 0.769 CB 1.870 27 residues pruned to eliminate duplicates V: 28 69.537 2.433 1.022 0.939 1.000 0.963 CB 1.890 28 residues pruned to eliminate duplicates W: 11 28.981 2.392 1.307 0.600 0.900 0.700 CB 1.678 11 residues pruned to eliminate duplicates X: 81 72.721 2.369 0.999 0.566 0.913 0.600 CB 1.765 93 residues pruned to eliminate duplicates Y: 40 68.557 2.312 1.191 0.697 1.000 0.667 CB 1.810 Z: 25 76.966 2.537 1.191 0.939 1.000 0.958 C 1.964 25 residues pruned to eliminate duplicates Z: 28 55.028 2.384 0.893 0.899 0.926 0.815 CB 1.812 28 residues pruned to eliminate duplicates Z: 28 59.759 2.406 0.843 0.922 1.000 0.815 CB 1.823 28 residues pruned to eliminate duplicates Z: 16 34.181 2.244 0.532 0.918 1.000 0.933 C 1.810 16 residues pruned to eliminate duplicates Z: 26 68.738 2.522 0.887 0.945 1.000 0.920 CB 2.000 26 residues pruned to eliminate duplicates Z: 42 47.856 2.358 0.768 0.567 0.951 0.707 CB 1.767 27 residues pruned to eliminate duplicates Z: 137 96.822 2.381 0.878 0.599 0.963 0.706 CB 1.753 119 residues pruned to eliminate duplicates Z: 26 81.150 2.545 1.159 0.949 1.000 0.840 C 2.039 26 residues pruned to eliminate duplicates Z: 15 33.045 2.319 0.660 0.881 0.857 0.786 CA 1.939 15 residues pruned to eliminate duplicates Z: 88 85.654 2.447 0.978 0.598 0.954 0.655 CB 1.811 88 residues pruned to eliminate duplicates Z: 25 61.432 2.497 0.791 0.951 1.000 0.917 C 1.932 25 residues pruned to eliminate duplicates Z: 13 27.105 2.393 1.352 0.513 0.833 0.583 CB 1.647 13 residues pruned to eliminate duplicates Z: 10 37.412 2.382 1.166 0.829 1.000 0.889 CA 1.819 10 residues pruned to eliminate duplicates Z: 16 43.573 2.386 0.811 0.907 1.000 0.800 CA 1.850 16 residues pruned to eliminate duplicates Z: 27 67.604 2.472 0.968 0.924 1.000 0.885 CB 1.914 27 residues pruned to eliminate duplicates Z: 25 78.335 2.524 1.300 0.949 1.000 0.875 C 1.901 25 residues pruned to eliminate duplicates Z: 15 20.567 2.316 1.044 0.403 0.857 0.500 CB 1.500 15 residues pruned to eliminate duplicates Z: 109 82.900 2.379 0.948 0.559 0.944 0.630 CB 1.721 109 residues pruned to eliminate duplicates Z: 71 84.945 2.407 1.162 0.663 0.943 0.729 CB 1.780 71 residues pruned to eliminate duplicates Z: 75 76.298 2.421 1.020 0.565 0.959 0.703 CB 1.775 75 residues pruned to eliminate duplicates Z: 15 41.671 2.320 0.801 0.933 1.000 1.000 C 1.860 15 residues pruned to eliminate duplicates Z: 25 66.468 2.513 0.954 0.944 1.000 0.875 C 1.913 25 residues pruned to eliminate duplicates Z: 26 63.470 2.458 0.946 0.948 0.960 0.840 C 1.908 26 residues pruned to eliminate duplicates Z: 26 71.797 2.432 1.202 0.914 1.000 0.840 C 1.896 26 residues pruned to eliminate duplicates Z: 9 34.212 2.525 0.697 0.905 1.000 1.000 CB 2.010 9 residues pruned to eliminate duplicates Z: 26 80.480 2.541 1.173 0.948 1.000 0.840 C 2.013 26 residues pruned to eliminate duplicates Z: 25 76.155 2.515 1.256 0.953 1.000 0.875 C 1.886 25 residues pruned to eliminate duplicates Z: 16 35.239 2.373 0.718 0.855 0.933 0.867 CB 1.765 16 residues pruned to eliminate duplicates Z: 16 48.348 2.419 0.984 0.888 1.000 0.800 CB 1.874 16 residues pruned to eliminate duplicates Z: 144 92.912 2.398 0.916 0.571 0.895 0.622 CB 1.765 144 residues pruned to eliminate duplicates Z: 9 35.466 2.608 0.673 0.892 1.000 1.000 CA 2.065 9 residues pruned to eliminate duplicates Z: 124 104.266 2.454 0.996 0.614 0.935 0.715 CB 1.842 124 residues pruned to eliminate duplicates Z: 17 36.747 2.178 0.620 0.922 1.000 0.812 C 1.831 17 residues pruned to eliminate duplicates Z: 26 81.321 2.526 1.223 0.946 1.000 0.880 C 2.002 26 residues pruned to eliminate duplicates Z: 16 45.893 2.451 0.842 0.875 1.000 0.800 CB 1.909 16 residues pruned to eliminate duplicates Z: 9 31.288 2.381 0.720 0.905 1.000 1.000 CA 1.924 9 residues pruned to eliminate duplicates Z: 26 66.484 2.401 1.132 0.913 1.000 0.840 C 1.839 26 residues pruned to eliminate duplicates Z: 25 73.657 2.476 1.120 0.950 1.000 0.875 C 1.975 25 residues pruned to eliminate duplicates Z: 26 62.980 2.473 0.913 0.944 0.960 0.920 C 1.921 26 residues pruned to eliminate duplicates Z: 26 81.280 2.535 1.247 0.939 1.000 0.880 C 1.983 28 residues pruned to eliminate duplicates Z: 33 67.417 2.413 1.122 0.731 1.000 0.844 CB 1.891 35 residues pruned to eliminate duplicates Z: 9 34.314 2.417 0.843 0.891 1.000 1.000 C 1.958 9 residues pruned to eliminate duplicates Z: 75 68.283 2.301 1.120 0.629 0.892 0.716 CB 1.616 26 residues pruned to eliminate duplicates Z: 18 29.583 2.147 0.546 0.845 0.941 0.706 CB 1.708 Z: 28 65.121 2.420 0.979 0.938 0.963 0.815 CB 1.890 28 residues pruned to eliminate duplicates Z: 12 30.520 2.313 0.675 0.914 0.909 0.727 C 1.848 12 residues pruned to eliminate duplicates Z: 16 35.429 2.253 0.528 0.919 1.000 0.867 CB 1.873 18 residues pruned to eliminate duplicates Z: 16 20.673 2.043 0.819 0.585 0.933 0.467 CB 1.418 Z: 28 55.144 2.389 0.764 0.923 1.000 0.815 CB 1.770 28 residues pruned to eliminate duplicates Z: 69 63.082 2.329 0.892 0.653 0.926 0.676 CB 1.625 69 residues pruned to eliminate duplicates Z: 15 29.114 2.448 0.286 0.917 0.929 0.857 CB 1.878 15 residues pruned to eliminate duplicates Z: 9 32.856 2.491 0.691 0.902 1.000 1.000 CA 1.967 9 residues pruned to eliminate duplicates Z: 89 82.340 2.441 0.978 0.592 0.932 0.670 CB 1.786 89 residues pruned to eliminate duplicates Z: 16 28.599 2.172 0.465 0.902 0.933 0.933 C 1.773 16 residues pruned to eliminate duplicates Z: 16 33.055 2.419 0.333 0.902 1.000 0.867 CB 1.888 16 residues pruned to eliminate duplicates Z: 10 29.572 2.367 0.715 0.864 1.000 0.778 CA 1.780 10 residues pruned to eliminate duplicates Z: 7 14.378 2.157 0.191 0.879 1.000 0.500 CA 1.657 7 residues pruned to eliminate duplicates Z: 25 75.427 2.515 1.270 0.944 1.000 0.875 C 1.867 25 residues pruned to eliminate duplicates Z: 28 67.318 2.414 1.077 0.924 0.963 0.852 CB 1.884 28 residues pruned to eliminate duplicates Z: 42 25.129 2.100 0.818 0.372 0.878 0.390 CB 1.343 30 residues pruned to eliminate duplicates Z: 27 67.868 2.451 0.948 0.949 1.000 0.731 CB 1.924 27 residues pruned to eliminate duplicates Z: 18 21.856 1.871 0.756 0.571 1.000 0.588 CB 1.506 16 residues pruned to eliminate duplicates Z: 7 16.621 2.233 0.349 0.852 1.000 0.500 CA 1.666 7 residues pruned to eliminate duplicates Z: 24 52.131 2.364 1.077 0.901 0.957 0.739 CB 1.652 24 residues pruned to eliminate duplicates Z: 27 70.293 2.376 1.215 0.924 1.000 0.846 C 1.839 27 residues pruned to eliminate duplicates Z: 15 37.415 2.328 0.639 0.944 1.000 1.000 C 1.815 15 residues pruned to eliminate duplicates Z: 10 27.501 2.358 0.452 0.909 1.000 0.778 CA 1.900 10 residues pruned to eliminate duplicates Z: 42 55.996 2.368 0.792 0.677 0.951 0.805 CB 1.841 43 residues pruned to eliminate duplicates Z: 6 14.655 2.273 0.148 0.852 1.000 0.400 CA 1.858 6 residues pruned to eliminate duplicates Z: 18 26.791 2.204 0.289 0.844 1.000 0.765 CA 1.701 18 residues pruned to eliminate duplicates Z: 23 23.667 2.197 1.039 0.410 0.864 0.727 CB 1.434 24 residues pruned to eliminate duplicates Z: 15 43.471 2.484 0.680 0.921 1.000 0.929 CB 1.960 15 residues pruned to eliminate duplicates Z: 53 54.591 2.294 0.810 0.602 0.981 0.769 CB 1.687 26 residues pruned to eliminate duplicates Z: 39 60.579 2.314 1.138 0.667 0.921 0.737 CB 1.847 39 residues pruned to eliminate duplicates Z: 42 33.665 2.225 0.921 0.438 0.854 0.512 CB 1.536 42 residues pruned to eliminate duplicates Z: 7 22.558 2.609 0.244 0.883 1.000 1.000 CB 2.052 7 residues pruned to eliminate duplicates Z: 16 29.925 2.346 0.305 0.910 1.000 0.933 CB 1.788 16 residues pruned to eliminate duplicates Z: 27 67.008 2.355 1.143 0.912 1.000 0.846 CB 1.845 27 residues pruned to eliminate duplicates Z: 16 37.612 2.399 0.796 0.856 0.933 0.933 CB 1.782 16 residues pruned to eliminate duplicates Z: 37 58.104 2.405 1.008 0.660 0.917 0.583 CB 1.885 39 residues pruned to eliminate duplicates Z: 25 65.974 2.460 1.093 0.930 1.000 0.792 C 1.830 25 residues pruned to eliminate duplicates Z: 27 54.683 2.451 0.602 0.931 1.000 0.885 CB 1.908 27 residues pruned to eliminate duplicates Z: 42 74.745 2.504 1.052 0.771 0.951 0.878 CB 1.879 48 residues pruned to eliminate duplicates Z: 72 70.451 2.431 0.796 0.599 0.972 0.761 CB 1.792 72 residues pruned to eliminate duplicates Z: 16 38.076 2.388 0.797 0.852 0.933 0.733 C 1.817 16 residues pruned to eliminate duplicates Z: 12 21.314 2.250 1.175 0.516 0.727 0.636 CA 1.777 12 residues pruned to eliminate duplicates Z: 9 24.077 2.312 0.480 0.880 1.000 1.000 CB 1.803 9 residues pruned to eliminate duplicates Z: 7 23.549 2.266 0.877 0.798 1.000 0.833 C 1.741 7 residues pruned to eliminate duplicates Z: 28 70.241 2.407 1.191 0.925 0.963 0.926 CB 1.868 28 residues pruned to eliminate duplicates Z: 16 52.993 2.434 1.059 0.906 1.000 0.733 CB 1.942 16 residues pruned to eliminate duplicates Z: 26 71.452 2.513 1.075 0.957 0.960 0.840 C 1.959 26 residues pruned to eliminate duplicates Z: 25 75.539 2.523 1.211 0.947 1.000 0.917 C 1.910 25 residues pruned to eliminate duplicates Z: 26 71.177 2.452 1.159 0.928 1.000 0.880 C 1.884 26 residues pruned to eliminate duplicates Z: 28 53.157 2.347 0.724 0.921 1.000 0.852 CB 1.779 28 residues pruned to eliminate duplicates Z: 28 78.837 2.436 1.292 0.940 1.000 0.815 CB 1.888 28 residues pruned to eliminate duplicates Z: 47 70.346 2.416 1.081 0.707 0.978 0.696 CB 1.747 47 residues pruned to eliminate duplicates Z: 7 15.444 2.104 0.377 0.865 1.000 0.833 CA 1.594 7 residues pruned to eliminate duplicates Z: 25 66.094 2.493 0.936 0.938 1.000 0.875 C 1.944 25 residues pruned to eliminate duplicates Z: 15 37.210 2.313 0.627 0.944 1.000 0.929 C 1.831 15 residues pruned to eliminate duplicates Z: 41 59.749 2.374 0.844 0.705 0.975 0.750 CB 1.838 42 residues pruned to eliminate duplicates Z: 7 5.241 1.858 0.183 0.426 0.833 0.333 CA 1.262 7 residues pruned to eliminate duplicates Z: 16 40.989 2.349 0.801 0.887 1.000 0.800 CB 1.803 16 residues pruned to eliminate duplicates Z: 125 91.270 2.383 0.893 0.594 0.919 0.669 CB 1.807 125 residues pruned to eliminate duplicates Z: 16 41.758 2.236 0.860 0.939 1.000 0.867 C 1.801 16 residues pruned to eliminate duplicates Z: 105 97.254 2.429 0.908 0.658 0.962 0.817 CB 1.848 105 residues pruned to eliminate duplicates Z: 25 74.792 2.500 1.220 0.950 1.000 0.958 C 1.897 25 residues pruned to eliminate duplicates Z: 15 34.408 2.261 0.626 0.915 1.000 0.929 C 1.768 15 residues pruned to eliminate duplicates Z: 16 41.587 2.153 1.015 0.872 1.000 0.733 CB 1.805 16 residues pruned to eliminate duplicates Z: 34 28.920 2.231 0.843 0.469 0.818 0.576 CB 1.545 34 residues pruned to eliminate duplicates Z: 10 14.378 2.242 0.799 0.377 0.889 0.667 CB 1.525 10 residues pruned to eliminate duplicates Z: 32 29.499 2.219 0.942 0.439 0.903 0.677 CB 1.450 32 residues pruned to eliminate duplicates Z: 26 72.844 2.534 1.053 0.954 0.960 0.840 CB 2.007 26 residues pruned to eliminate duplicates Z: 15 45.982 2.449 0.796 0.932 1.000 0.929 CB 1.952 15 residues pruned to eliminate duplicates Z: 16 26.234 2.174 1.019 0.564 0.933 0.667 CB 1.553 16 residues pruned to eliminate duplicates Z: 17 31.327 2.261 0.644 0.871 0.938 0.750 CB 1.639 17 residues pruned to eliminate duplicates Z: 37 48.744 2.331 1.053 0.537 0.944 0.694 CB 1.734 37 residues pruned to eliminate duplicates Z: 23 63.483 2.510 0.946 0.944 1.000 0.955 CB 1.919 23 residues pruned to eliminate duplicates Z: 9 32.612 2.303 1.128 0.888 1.000 1.000 C 1.695 9 residues pruned to eliminate duplicates Z: 9 22.959 1.897 1.084 0.862 1.000 0.875 C 1.508 9 residues pruned to eliminate duplicates Z: 73 75.115 2.366 1.101 0.604 0.917 0.681 CB 1.759 73 residues pruned to eliminate duplicates Z: 124 99.263 2.461 0.862 0.632 0.951 0.724 CB 1.813 124 residues pruned to eliminate duplicates Z: 40 53.700 2.383 0.759 0.640 0.974 0.692 CB 1.846 40 residues pruned to eliminate duplicates Z: 22 25.262 2.216 1.078 0.434 0.857 0.619 CB 1.496 22 residues pruned to eliminate duplicates Z: 17 31.565 2.239 0.465 0.833 1.000 0.875 C 1.805 17 residues pruned to eliminate duplicates Z: 14 43.182 2.404 0.791 0.938 1.000 0.923 C 1.935 14 residues pruned to eliminate duplicates Z: 28 77.478 2.434 1.248 0.929 1.000 0.852 CB 1.907 28 residues pruned to eliminate duplicates Z: 50 53.613 2.323 0.795 0.622 0.959 0.776 CB 1.706 50 residues pruned to eliminate duplicates Z: 42 59.359 2.363 0.879 0.655 0.976 0.829 CB 1.853 42 residues pruned to eliminate duplicates Z: 15 42.736 2.284 0.935 0.940 1.000 0.714 C 1.794 15 residues pruned to eliminate duplicates Z: 26 67.938 2.427 1.079 0.906 1.000 0.880 C 1.914 26 residues pruned to eliminate duplicates Z: 9 37.164 2.524 0.993 0.850 1.000 0.875 CA 1.935 9 residues pruned to eliminate duplicates Z: 25 32.391 2.220 0.676 0.599 0.958 0.667 CB 1.687 25 residues pruned to eliminate duplicates Z: 48 66.098 2.383 1.217 0.633 0.936 0.766 CB 1.721 48 residues pruned to eliminate duplicates Z: 106 91.463 2.413 0.928 0.618 0.943 0.705 CB 1.820 142 residues pruned to eliminate duplicates Z: 17 30.114 2.295 0.372 0.888 1.000 0.938 CB 1.722 17 residues pruned to eliminate duplicates Z: 74 68.241 2.368 0.769 0.576 0.986 0.671 CB 1.797 74 residues pruned to eliminate duplicates Z: 17 41.349 2.293 0.887 0.856 1.000 0.875 CA 1.762 17 residues pruned to eliminate duplicates Z: 16 38.368 2.350 0.808 0.884 0.933 0.867 C 1.805 16 residues pruned to eliminate duplicates Z: 7 14.690 2.256 0.409 0.817 0.833 0.667 CA 1.719 Z: 27 63.003 2.342 1.130 0.913 0.962 0.846 C 1.823 27 residues pruned to eliminate duplicates Z: 25 71.769 2.496 1.189 0.942 1.000 0.833 C 1.859 25 residues pruned to eliminate duplicates Z: 21 24.660 2.091 1.075 0.509 0.900 0.500 CB 1.400 21 residues pruned to eliminate duplicates Z: 9 28.730 2.426 0.591 0.794 1.000 0.750 CA 2.034 9 residues pruned to eliminate duplicates Z: 82 78.426 2.385 0.789 0.632 0.988 0.790 CB 1.826 95 residues pruned to eliminate duplicates Z: 16 34.494 2.310 0.763 0.836 0.933 0.667 C 1.754 16 residues pruned to eliminate duplicates Z: 24 61.489 2.491 0.860 0.941 1.000 1.000 CB 1.920 24 residues pruned to eliminate duplicates Z: 74 63.756 2.355 0.804 0.595 0.932 0.712 CB 1.722 74 residues pruned to eliminate duplicates Z: 107 92.138 2.452 0.900 0.628 0.943 0.708 CB 1.806 107 residues pruned to eliminate duplicates Z: 38 43.664 2.377 0.949 0.506 0.946 0.676 CB 1.628 38 residues pruned to eliminate duplicates Z: 48 81.329 2.516 1.168 0.713 0.936 0.766 CB 1.916 59 residues pruned to eliminate duplicates Z: 20 33.567 2.469 0.810 0.474 0.947 0.474 CB 1.866 20 residues pruned to eliminate duplicates Z: 13 16.454 1.861 0.883 0.531 0.917 0.583 CA 1.434 13 residues pruned to eliminate duplicates Z: 61 76.040 2.421 1.119 0.657 0.900 0.683 CB 1.838 61 residues pruned to eliminate duplicates Z: 89 66.844 2.287 0.962 0.546 0.909 0.625 CB 1.670 89 residues pruned to eliminate duplicates Z: 25 69.655 2.506 1.071 0.913 1.000 0.792 C 1.939 25 residues pruned to eliminate duplicates Z: 51 49.151 2.315 0.764 0.573 0.960 0.720 CB 1.652 51 residues pruned to eliminate duplicates Z: 16 25.164 2.324 0.220 0.859 0.933 0.800 CB 1.806 16 residues pruned to eliminate duplicates Z: 125 105.042 2.437 0.998 0.620 0.952 0.710 CB 1.818 125 residues pruned to eliminate duplicates Z: 105 97.705 2.427 0.973 0.673 0.942 0.769 CB 1.809 105 residues pruned to eliminate duplicates Z: 49 62.854 2.416 1.161 0.613 0.875 0.625 CB 1.783 49 residues pruned to eliminate duplicates Z: 40 56.574 2.428 0.712 0.680 0.974 0.744 CB 1.896 40 residues pruned to eliminate duplicates Z: 40 51.687 2.289 0.849 0.680 0.949 0.769 CB 1.746 7 residues pruned to eliminate duplicates Z: 17 27.588 2.278 0.325 0.847 1.000 0.750 CB 1.696 17 residues pruned to eliminate duplicates Z: 32 19.341 2.154 0.454 0.369 0.871 0.516 CB 1.465 32 residues pruned to eliminate duplicates Z: 41 59.403 2.366 0.835 0.689 1.000 0.700 CB 1.819 41 residues pruned to eliminate duplicates Z: 10 25.517 2.371 0.823 0.562 1.000 0.778 C 1.853 10 residues pruned to eliminate duplicates Z: 8 9.695 2.020 0.166 0.760 0.857 0.571 CA 1.441 8 residues pruned to eliminate duplicates Z: 12 15.243 1.921 0.527 0.700 1.000 0.727 CB 1.306 12 residues pruned to eliminate duplicates Z: 16 40.283 2.287 0.897 0.899 0.933 0.800 CB 1.835 16 residues pruned to eliminate duplicates Z: 6 3.025 1.871 0.302 0.423 0.600 0.400 CA 1.002 6 residues pruned to eliminate duplicates Z: 38 51.991 2.400 0.752 0.656 0.946 0.703 CB 1.860 40 residues pruned to eliminate duplicates Z: 45 59.315 2.428 0.880 0.682 0.932 0.727 CB 1.780 45 residues pruned to eliminate duplicates Z: 124 98.067 2.436 0.960 0.608 0.919 0.691 CB 1.818 124 residues pruned to eliminate duplicates Z: 34 66.723 2.371 1.249 0.677 0.970 0.667 CB 1.908 38 residues pruned to eliminate duplicates Z: 15 44.257 2.303 1.084 0.903 0.929 0.500 CB 1.892 15 residues pruned to eliminate duplicates Z: 9 32.313 2.508 0.647 0.902 1.000 1.000 C 1.972 9 residues pruned to eliminate duplicates Z: 84 67.211 2.323 0.936 0.560 0.880 0.566 CB 1.760 84 residues pruned to eliminate duplicates Z: 10 34.303 2.238 0.950 0.897 1.000 1.000 CB 1.876 10 residues pruned to eliminate duplicates Z: 15 35.589 2.268 0.700 0.930 1.000 0.857 C 1.725 15 residues pruned to eliminate duplicates Z: 66 68.214 2.377 0.998 0.616 0.923 0.738 CB 1.730 66 residues pruned to eliminate duplicates Z: 34 59.460 2.409 0.940 0.684 0.970 0.758 CB 1.930 35 residues pruned to eliminate duplicates Z: 16 36.061 2.319 0.626 0.892 1.000 0.800 CB 1.774 16 residues pruned to eliminate duplicates Z: 88 88.526 2.445 1.123 0.600 0.920 0.724 CB 1.809 88 residues pruned to eliminate duplicates Z: 27 21.956 2.154 0.804 0.473 0.846 0.654 CB 1.346 27 residues pruned to eliminate duplicates Z: 44 46.309 2.301 0.969 0.520 0.930 0.721 CB 1.642 44 residues pruned to eliminate duplicates Z: 23 26.698 2.259 0.948 0.413 0.818 0.455 CB 1.732 23 residues pruned to eliminate duplicates Z: 42 48.460 2.336 0.708 0.645 0.951 0.732 CB 1.742 42 residues pruned to eliminate duplicates Z: 81 79.994 2.409 1.094 0.604 0.925 0.713 CB 1.736 81 residues pruned to eliminate duplicates Z: 10 25.747 2.393 0.594 0.822 1.000 0.889 CA 1.701 10 residues pruned to eliminate duplicates Z: 53 47.577 2.238 0.820 0.544 0.923 0.615 CB 1.682 53 residues pruned to eliminate duplicates Z: 38 46.933 2.383 1.062 0.530 0.946 0.757 CB 1.611 38 residues pruned to eliminate duplicates Z: 6 11.663 1.929 0.311 0.746 1.000 0.600 CA 1.654 6 residues pruned to eliminate duplicates Z: 26 39.770 2.273 0.772 0.654 1.000 0.840 CB 1.711 26 residues pruned to eliminate duplicates Z: 34 76.720 2.552 1.243 0.796 0.909 0.818 CB 1.979 34 residues pruned to eliminate duplicates Z: 41 59.387 2.360 0.939 0.678 0.950 0.725 CB 1.833 41 residues pruned to eliminate duplicates Z: 9 41.329 2.611 0.903 0.886 1.000 0.875 CA 2.121 9 residues pruned to eliminate duplicates Z: 16 35.230 2.165 0.912 0.900 1.000 0.867 C 1.570 16 residues pruned to eliminate duplicates Z: 16 40.939 2.183 1.020 0.934 1.000 0.733 C 1.671 16 residues pruned to eliminate duplicates Z: 16 20.023 2.022 0.688 0.615 0.933 0.733 CB 1.455 16 residues pruned to eliminate duplicates Z: 41 55.582 2.387 0.814 0.660 0.950 0.775 CB 1.842 41 residues pruned to eliminate duplicates Z: 24 71.934 2.558 1.115 0.946 1.000 0.957 C 1.917 24 residues pruned to eliminate duplicates Z: 27 66.223 2.384 1.122 0.924 0.962 0.846 CB 1.875 27 residues pruned to eliminate duplicates Z: 34 52.980 2.299 0.994 0.721 0.939 0.667 CB 1.753 29 residues pruned to eliminate duplicates Z: 7 10.415 1.891 0.549 0.754 0.833 0.500 C 1.390 7 residues pruned to eliminate duplicates Z: 25 76.233 2.529 1.200 0.953 1.000 0.833 C 1.925 25 residues pruned to eliminate duplicates Z: 27 65.000 2.442 1.032 0.947 0.962 0.769 CB 1.846 27 residues pruned to eliminate duplicates Z: 41 51.855 2.359 0.671 0.646 0.975 0.750 CB 1.861 41 residues pruned to eliminate duplicates Z: 42 59.200 2.350 0.934 0.661 0.976 0.780 CB 1.795 42 residues pruned to eliminate duplicates Z: 16 33.879 2.341 0.650 0.843 0.933 0.867 CB 1.806 16 residues pruned to eliminate duplicates Z: 52 56.540 2.307 0.859 0.636 0.961 0.804 CB 1.692 52 residues pruned to eliminate duplicates Z: 7 17.242 2.177 0.495 0.893 1.000 0.833 CA 1.553 7 residues pruned to eliminate duplicates Z: 30 20.856 1.972 0.669 0.467 0.862 0.586 CB 1.412 30 residues pruned to eliminate duplicates Z: 72 76.804 2.414 1.013 0.624 0.930 0.732 CB 1.795 72 residues pruned to eliminate duplicates Z: 104 79.416 2.345 1.042 0.576 0.913 0.670 CB 1.664 104 residues pruned to eliminate duplicates Z: 16 33.845 2.377 0.407 0.811 1.000 0.933 CB 1.992 16 residues pruned to eliminate duplicates Z: 12 11.760 1.979 0.911 0.381 0.818 0.364 CB 1.300 12 residues pruned to eliminate duplicates Z: 14 16.627 2.300 1.073 0.439 0.692 0.615 CB 1.488 14 residues pruned to eliminate duplicates Z: 8 17.173 2.341 0.521 0.822 0.857 0.714 CB 1.609 8 residues pruned to eliminate duplicates Z: 17 38.916 2.207 0.923 0.949 1.000 0.750 C 1.582 17 residues pruned to eliminate duplicates Z: 7 11.620 2.069 0.762 0.702 0.667 0.500 CA 1.624 7 residues pruned to eliminate duplicates Z: 96 91.803 2.416 1.007 0.651 0.926 0.705 CB 1.823 96 residues pruned to eliminate duplicates Z: 37 41.376 2.298 0.948 0.538 0.917 0.778 CB 1.620 37 residues pruned to eliminate duplicates Z: 7 6.957 2.051 0.258 0.388 0.833 0.500 CB 1.487 7 residues pruned to eliminate duplicates Z: 8 17.305 1.909 0.621 0.841 1.000 0.714 CA 1.577 8 residues pruned to eliminate duplicates Z: 51 56.256 2.333 0.786 0.611 1.000 0.720 CB 1.718 51 residues pruned to eliminate duplicates Z: 75 85.748 2.465 1.053 0.638 0.959 0.689 CB 1.804 75 residues pruned to eliminate duplicates Z: 15 19.045 2.353 1.109 0.462 0.714 0.643 CB 1.493 15 residues pruned to eliminate duplicates Z: 67 62.374 2.356 0.921 0.615 0.909 0.712 CB 1.674 67 residues pruned to eliminate duplicates Z: 12 11.941 2.099 0.477 0.392 0.818 0.364 CA 1.591 12 residues pruned to eliminate duplicates Z: 82 76.731 2.397 1.072 0.603 0.901 0.642 CB 1.727 82 residues pruned to eliminate duplicates Z: 50 61.731 2.353 0.860 0.692 0.980 0.837 CB 1.725 50 residues pruned to eliminate duplicates Z: 125 104.843 2.455 0.999 0.623 0.935 0.718 CB 1.826 125 residues pruned to eliminate duplicates Z: 123 76.348 2.308 0.904 0.561 0.893 0.631 CB 1.659 124 residues pruned to eliminate duplicates Z: 40 81.895 2.455 1.231 0.811 0.974 0.846 CB 1.874 40 residues pruned to eliminate duplicates Z: 24 60.721 2.431 1.026 0.931 0.957 0.826 C 1.878 24 residues pruned to eliminate duplicates Z: 9 6.772 1.957 0.792 0.339 0.625 0.375 CB 1.301 9 residues pruned to eliminate duplicates Z: 29 27.143 2.293 0.639 0.410 0.893 0.429 CB 1.679 29 residues pruned to eliminate duplicates Z: 26 71.641 2.431 1.298 0.941 1.000 0.960 C 1.779 26 residues pruned to eliminate duplicates Z: 8 18.003 2.134 0.478 0.829 1.000 0.571 CA 1.624 8 residues pruned to eliminate duplicates Z: 27 78.227 2.388 1.404 0.930 1.000 0.923 C 1.868 27 residues pruned to eliminate duplicates Z: 8 15.304 1.865 0.569 0.888 1.000 1.000 CA 1.424 8 residues pruned to eliminate duplicates Z: 6 5.514 1.504 0.535 0.461 1.000 0.800 C 1.111 6 residues pruned to eliminate duplicates Z: 80 75.525 2.425 0.949 0.584 0.937 0.620 CB 1.771 80 residues pruned to eliminate duplicates Z: 27 72.355 2.398 1.298 0.924 0.962 0.846 C 1.880 27 residues pruned to eliminate duplicates Z: 80 78.889 2.336 1.041 0.648 0.924 0.696 CB 1.755 80 residues pruned to eliminate duplicates Z: 21 29.919 2.310 0.900 0.417 0.900 0.400 C 1.846 21 residues pruned to eliminate duplicates Z: 116 96.452 2.440 0.938 0.609 0.939 0.696 CB 1.826 116 residues pruned to eliminate duplicates Z: 9 23.817 2.337 1.319 0.611 0.875 0.875 CB 1.599 9 residues pruned to eliminate duplicates Z: 16 31.896 2.292 0.663 0.852 0.933 0.600 CB 1.712 16 residues pruned to eliminate duplicates Z: 16 42.401 2.405 0.736 0.916 1.000 0.867 CA 1.851 16 residues pruned to eliminate duplicates Z: 27 65.025 2.299 1.185 0.922 1.000 0.923 CB 1.784 27 residues pruned to eliminate duplicates Z: 15 36.977 2.319 0.516 0.953 1.000 1.000 CA 1.934 15 residues pruned to eliminate duplicates Z: 40 51.475 2.288 0.928 0.673 0.949 0.744 CB 1.679 40 residues pruned to eliminate duplicates Z: 28 64.005 2.359 1.003 0.933 1.000 0.889 CB 1.819 28 residues pruned to eliminate duplicates Z: 27 36.296 2.424 0.921 0.455 0.885 0.462 CB 1.810 27 residues pruned to eliminate duplicates Z: 17 14.913 1.750 0.725 0.647 0.938 0.750 CB 1.149 17 residues pruned to eliminate duplicates Z: 17 14.022 1.815 0.840 0.515 0.875 0.625 CB 1.182 17 residues pruned to eliminate duplicates Z: 25 76.846 2.491 1.305 0.941 1.000 0.792 C 1.896 25 residues pruned to eliminate duplicates Z: 50 51.522 2.320 0.771 0.622 0.959 0.755 CB 1.665 50 residues pruned to eliminate duplicates Z: 27 71.271 2.451 1.161 0.954 0.962 0.885 CB 1.888 27 residues pruned to eliminate duplicates Z: 16 36.660 2.117 0.900 0.904 1.000 0.933 C 1.676 16 residues pruned to eliminate duplicates Z: 27 67.364 2.463 0.976 0.947 1.000 0.846 CB 1.876 27 residues pruned to eliminate duplicates Z: 26 68.914 2.431 1.140 0.930 1.000 0.880 C 1.853 26 residues pruned to eliminate duplicates Z: 67 63.123 2.354 0.881 0.609 0.939 0.667 CB 1.684 67 residues pruned to eliminate duplicates Z: 85 77.202 2.404 1.060 0.561 0.917 0.607 CB 1.750 85 residues pruned to eliminate duplicates Z: 14 17.888 2.008 0.653 0.553 0.923 0.615 CB 1.537 14 residues pruned to eliminate duplicates Z: 10 14.148 1.962 0.482 0.815 0.889 0.556 C 1.387 10 residues pruned to eliminate duplicates Z: 10 29.421 2.291 0.844 0.878 1.000 0.778 CB 1.684 10 residues pruned to eliminate duplicates Z: 26 64.675 2.488 1.049 0.933 0.960 0.720 CB 1.845 26 residues pruned to eliminate duplicates Z: 17 20.442 1.958 0.806 0.636 0.938 0.625 CB 1.357 17 residues pruned to eliminate duplicates Z: 49 57.508 2.400 0.686 0.625 0.958 0.771 CB 1.903 49 residues pruned to eliminate duplicates Z: 15 31.971 2.269 0.444 0.918 1.000 0.929 CA 1.839 15 residues pruned to eliminate duplicates Z: 106 94.006 2.410 0.920 0.667 0.962 0.743 CB 1.766 106 residues pruned to eliminate duplicates Z: 61 43.992 2.332 0.769 0.430 0.867 0.517 CB 1.708 61 residues pruned to eliminate duplicates Z: 16 18.577 2.271 0.033 0.856 0.933 0.733 CB 1.616 16 residues pruned to eliminate duplicates Z: 28 32.877 2.300 0.881 0.474 0.889 0.630 CB 1.688 30 residues pruned to eliminate duplicates Z: 16 25.688 2.204 0.289 0.881 0.933 0.933 CA 1.812 16 residues pruned to eliminate duplicates Z: 42 51.866 2.351 0.685 0.653 0.951 0.732 CB 1.866 42 residues pruned to eliminate duplicates Z: 78 87.261 2.361 0.920 0.697 0.987 0.740 CB 1.855 78 residues pruned to eliminate duplicates Z: 9 31.280 2.525 0.726 0.852 1.000 0.750 CA 1.877 9 residues pruned to eliminate duplicates Z: 7 6.025 1.589 0.267 0.533 1.000 0.500 CB 1.182 7 residues pruned to eliminate duplicates Z: 17 29.650 2.271 0.442 0.906 1.000 0.938 CB 1.610 17 residues pruned to eliminate duplicates Z: 34 24.310 2.224 0.565 0.407 0.879 0.455 CB 1.526 34 residues pruned to eliminate duplicates Z: 26 76.843 2.475 1.289 0.956 1.000 0.920 C 1.863 26 residues pruned to eliminate duplicates Z: 45 51.472 2.315 0.723 0.629 0.955 0.727 CB 1.805 45 residues pruned to eliminate duplicates Z: 21 30.414 2.223 0.589 0.615 0.950 0.700 CB 1.818 21 residues pruned to eliminate duplicates Z: 40 54.554 2.338 0.903 0.668 0.923 0.667 CB 1.822 40 residues pruned to eliminate duplicates Z: 62 74.268 2.390 1.092 0.654 0.918 0.705 CB 1.796 62 residues pruned to eliminate duplicates Z: 41 51.622 2.381 0.595 0.689 1.000 0.825 CB 1.808 41 residues pruned to eliminate duplicates Z: 107 100.185 2.405 0.962 0.671 0.981 0.783 CB 1.795 107 residues pruned to eliminate duplicates Z: 9 11.903 2.270 0.664 0.423 0.750 0.500 CB 1.609 9 residues pruned to eliminate duplicates Z: 36 64.502 2.404 1.144 0.762 0.914 0.800 CB 1.834 36 residues pruned to eliminate duplicates Z: 27 78.823 2.381 1.390 0.947 1.000 0.808 CB 1.878 27 residues pruned to eliminate duplicates Z: 7 11.321 1.909 0.368 0.811 0.833 0.667 N 1.620 7 residues pruned to eliminate duplicates Z: 16 12.045 1.800 0.478 0.618 0.933 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 8 18.527 1.886 0.911 0.895 1.000 0.857 C 1.393 8 residues pruned to eliminate duplicates Z: 101 82.283 2.390 0.993 0.570 0.940 0.710 CB 1.717 101 residues pruned to eliminate duplicates Z: 66 68.648 2.395 1.036 0.625 0.892 0.631 CB 1.739 66 residues pruned to eliminate duplicates Z: 10 21.518 2.124 0.525 0.901 1.000 0.889 CB 1.580 10 residues pruned to eliminate duplicates Z: 128 93.287 2.405 0.971 0.600 0.898 0.646 CB 1.770 128 residues pruned to eliminate duplicates Z: 31 39.573 2.305 0.619 0.650 1.000 0.667 CB 1.684 31 residues pruned to eliminate duplicates Z: 69 68.694 2.359 1.036 0.624 0.926 0.662 CB 1.666 69 residues pruned to eliminate duplicates Z: 12 14.034 1.992 0.833 0.434 1.000 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 134 94.941 2.380 0.926 0.600 0.932 0.722 CB 1.752 134 residues pruned to eliminate duplicates Z: 12 11.421 2.086 0.713 0.577 0.727 0.364 CB 1.230 12 residues pruned to eliminate duplicates Z: 25 69.780 2.497 1.117 0.942 1.000 0.833 C 1.870 25 residues pruned to eliminate duplicates Z: 27 66.799 2.347 1.105 0.938 1.000 0.923 C 1.844 27 residues pruned to eliminate duplicates Z: 21 39.835 2.213 0.654 0.818 1.000 0.850 C 1.846 21 residues pruned to eliminate duplicates Z: 15 32.177 2.399 0.452 0.875 1.000 0.857 CB 1.796 15 residues pruned to eliminate duplicates Z: 73 62.074 2.354 0.869 0.572 0.903 0.653 CB 1.718 73 residues pruned to eliminate duplicates Z: 52 52.120 2.315 0.748 0.592 0.980 0.784 CB 1.685 52 residues pruned to eliminate duplicates Z: 46 47.801 2.215 0.866 0.616 0.933 0.756 CB 1.656 46 residues pruned to eliminate duplicates Z: 16 16.386 2.071 0.577 0.529 0.800 0.600 CB 1.574 16 residues pruned to eliminate duplicates Z: 17 29.613 2.262 0.303 0.930 1.000 0.938 CB 1.756 17 residues pruned to eliminate duplicates Z: 9 25.751 2.277 0.634 0.880 1.000 0.875 C 1.773 9 residues pruned to eliminate duplicates Z: 29 65.729 2.446 1.096 0.781 0.964 0.786 CA 1.961 29 residues pruned to eliminate duplicates Z: 37 37.366 2.311 0.799 0.513 0.944 0.750 CB 1.566 37 residues pruned to eliminate duplicates Z: 16 43.566 2.268 1.010 0.916 1.000 1.000 CA 1.742 16 residues pruned to eliminate duplicates Z: 34 46.271 2.337 0.710 0.614 0.970 0.636 CB 1.866 34 residues pruned to eliminate duplicates Z: 32 17.437 1.852 0.711 0.380 0.806 0.484 CB 1.393 32 residues pruned to eliminate duplicates Z: 11 18.595 2.081 0.976 0.655 0.800 0.800 CB 1.547 11 residues pruned to eliminate duplicates Z: 26 29.765 2.167 1.010 0.496 0.880 0.520 CB 1.559 26 residues pruned to eliminate duplicates Z: 16 21.717 2.024 0.955 0.644 0.933 0.800 CB 1.327 16 residues pruned to eliminate duplicates Z: 6 4.435 1.592 0.219 0.321 1.000 0.800 N 1.244 Z: 7 9.520 1.733 1.258 0.521 0.833 0.667 C 1.168 7 residues pruned to eliminate duplicates Z: 22 29.754 2.254 1.042 0.465 0.905 0.714 CB 1.616 22 residues pruned to eliminate duplicates Z: 8 9.487 1.789 0.608 0.599 0.857 0.714 CA 1.323 8 residues pruned to eliminate duplicates Z: 17 29.869 2.300 0.371 0.876 1.000 0.875 CB 1.720 17 residues pruned to eliminate duplicates Z: 25 80.185 2.483 1.425 0.961 1.000 0.875 C 1.860 25 residues pruned to eliminate duplicates Z: 38 34.251 2.213 0.827 0.505 0.919 0.649 CB 1.507 38 residues pruned to eliminate duplicates Z: 38 50.315 2.355 0.710 0.678 0.946 0.703 CB 1.844 38 residues pruned to eliminate duplicates Z: 76 82.035 2.431 0.989 0.647 0.973 0.773 CB 1.754 76 residues pruned to eliminate duplicates Z: 10 13.956 2.204 0.208 0.696 0.889 0.667 C 1.643 10 residues pruned to eliminate duplicates Z: 36 59.952 2.385 0.809 0.745 1.000 0.857 CB 1.887 36 residues pruned to eliminate duplicates Z: 75 81.649 2.328 1.051 0.641 1.000 0.757 CB 1.742 75 residues pruned to eliminate duplicates Z: 17 35.946 2.384 1.161 0.511 0.938 0.688 CB 1.840 17 residues pruned to eliminate duplicates Z: 13 6.523 1.730 0.391 0.327 0.833 0.417 CB 1.136 13 residues pruned to eliminate duplicates Z: 33 44.381 2.315 0.843 0.652 0.906 0.781 CB 1.762 33 residues pruned to eliminate duplicates Z: 49 64.327 2.389 1.055 0.644 0.938 0.688 CB 1.764 49 residues pruned to eliminate duplicates Z: 41 36.714 2.323 0.782 0.475 0.825 0.475 CB 1.744 41 residues pruned to eliminate duplicates Z: 44 52.547 2.257 0.874 0.626 0.977 0.698 CB 1.722 44 residues pruned to eliminate duplicates Z: 17 29.127 2.167 0.741 0.846 0.938 0.875 CB 1.530 17 residues pruned to eliminate duplicates Z: 62 89.753 2.507 1.253 0.681 0.918 0.721 CB 1.877 62 residues pruned to eliminate duplicates Z: 14 26.926 2.120 1.021 0.679 1.000 0.846 CB 1.479 14 residues pruned to eliminate duplicates Z: 39 34.524 2.198 0.773 0.522 0.895 0.632 CB 1.571 39 residues pruned to eliminate duplicates Z: 13 11.601 1.904 0.714 0.426 0.833 0.667 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 43.097 2.203 1.107 0.924 1.000 0.643 C 1.743 15 residues pruned to eliminate duplicates Z: 40 30.370 2.274 0.846 0.389 0.821 0.410 CB 1.587 40 residues pruned to eliminate duplicates Z: 21 26.607 2.046 0.927 0.708 1.000 0.850 CB 1.249 21 residues pruned to eliminate duplicates Z: 44 47.989 2.313 0.731 0.631 0.907 0.721 CB 1.781 44 residues pruned to eliminate duplicates Z: 41 48.103 2.336 0.615 0.652 0.975 0.725 CB 1.795 41 residues pruned to eliminate duplicates Z: 14 25.751 2.156 0.910 0.728 0.846 0.615 C 1.669 14 residues pruned to eliminate duplicates Z: 52 71.017 2.457 1.056 0.656 0.902 0.686 CB 1.889 52 residues pruned to eliminate duplicates Z: 36 54.904 2.383 0.764 0.723 0.971 0.800 CB 1.857 36 residues pruned to eliminate duplicates Z: 15 19.805 2.087 0.684 0.542 1.000 0.714 CB 1.445 15 residues pruned to eliminate duplicates Z: 16 26.299 2.353 0.366 0.828 0.933 0.867 CB 1.704 16 residues pruned to eliminate duplicates Z: 9 4.060 1.536 0.029 0.321 1.000 0.250 CB 1.106 9 residues pruned to eliminate duplicates Z: 50 43.221 2.274 0.791 0.434 0.918 0.449 CB 1.767 50 residues pruned to eliminate duplicates Z: 11 18.064 2.000 0.560 0.798 0.900 0.600 C 1.568 11 residues pruned to eliminate duplicates Z: 16 22.784 2.044 0.939 0.521 0.933 0.467 CA 1.557 16 residues pruned to eliminate duplicates Z: 15 31.181 2.384 0.467 0.861 1.000 0.857 CB 1.750 15 residues pruned to eliminate duplicates Z: 47 53.093 2.312 1.037 0.598 0.935 0.652 CB 1.619 47 residues pruned to eliminate duplicates Z: 8 17.113 2.094 0.596 0.873 1.000 0.714 CA 1.410 8 residues pruned to eliminate duplicates Z: 27 65.207 2.457 0.848 0.944 1.000 0.769 CB 1.951 27 residues pruned to eliminate duplicates Z: 10 4.886 1.391 0.418 0.545 1.000 0.778 CB 0.790 Z: 6 2.856 1.610 0.490 0.371 0.800 0.600 CB 0.764 Z: 14 27.846 2.136 0.961 0.649 0.923 0.692 CB 1.739 14 residues pruned to eliminate duplicates Z: 8 8.510 1.703 0.358 0.504 1.000 0.429 C 1.385 8 residues pruned to eliminate duplicates Z: 19 18.917 2.228 0.832 0.360 0.889 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 47 59.906 2.340 0.818 0.673 0.957 0.761 CB 1.850 47 residues pruned to eliminate duplicates Z: 32 49.162 2.321 0.850 0.665 0.968 0.806 C 1.824 32 residues pruned to eliminate duplicates Z: 18 18.897 1.858 0.860 0.490 0.941 0.588 CB 1.422 18 residues pruned to eliminate duplicates Z: 14 14.843 2.088 0.551 0.492 0.923 0.692 CB 1.388 20 residues pruned to eliminate duplicates Z: 37 64.585 2.346 1.209 0.685 0.944 0.750 C 1.855 38 residues pruned to eliminate duplicates Z: 21 37.019 2.210 0.771 0.681 1.000 0.750 CB 1.792 21 residues pruned to eliminate duplicates Z: 15 48.186 2.288 1.245 0.950 1.000 0.786 C 1.729 15 residues pruned to eliminate duplicates Z: 16 31.958 2.365 0.478 0.850 1.000 0.867 CB 1.748 16 residues pruned to eliminate duplicates Z: 21 26.976 2.094 1.232 0.640 0.900 0.700 CB 1.257 21 residues pruned to eliminate duplicates Z: 108 69.721 2.348 0.798 0.523 0.907 0.551 CB 1.721 108 residues pruned to eliminate duplicates Z: 10 13.145 2.231 0.583 0.484 0.889 0.778 CB 1.418 10 residues pruned to eliminate duplicates Z: 26 64.915 2.453 0.871 0.941 1.000 0.880 CB 1.963 26 residues pruned to eliminate duplicates Z: 52 73.657 2.446 1.144 0.656 0.902 0.627 CB 1.887 52 residues pruned to eliminate duplicates Z: 7 7.024 1.932 0.212 0.559 0.833 0.500 CB 1.388 7 residues pruned to eliminate duplicates Z: 6 4.857 1.508 0.499 0.408 1.000 0.400 CB 1.058 Z: 48 52.725 2.313 0.827 0.649 0.957 0.787 CB 1.654 48 residues pruned to eliminate duplicates Z: 12 25.122 2.122 0.701 0.829 0.909 0.818 C 1.736 12 residues pruned to eliminate duplicates 6 1.333 1.095 0.431 0.588 0.800 0.400 C 0.437 ? Z: 34 59.795 2.300 1.167 0.724 0.939 0.788 CB 1.816 34 residues pruned to eliminate duplicates Z: 33 27.693 2.158 0.834 0.404 0.875 0.500 CB 1.563 33 residues pruned to eliminate duplicates Z: 35 51.842 2.240 1.107 0.697 0.941 0.706 CB 1.673 35 residues pruned to eliminate duplicates Z: 39 73.442 2.473 1.085 0.810 0.974 0.763 CB 1.811 39 residues pruned to eliminate duplicates Z: 15 25.531 2.259 0.305 0.835 1.000 0.857 CB 1.733 15 residues pruned to eliminate duplicates Z: 93 67.072 2.292 0.912 0.535 0.935 0.696 CB 1.649 51 residues pruned to eliminate duplicates Z: 51 44.635 2.315 0.585 0.603 0.960 0.760 CB 1.625 51 residues pruned to eliminate duplicates Z: 43 53.007 2.366 0.773 0.649 0.976 0.786 CB 1.739 43 residues pruned to eliminate duplicates Z: 37 52.812 2.340 0.758 0.719 0.972 0.778 CB 1.805 37 residues pruned to eliminate duplicates Z: 15 20.822 2.264 0.189 0.812 0.929 0.786 CB 1.697 15 residues pruned to eliminate duplicates Z: 66 63.424 2.308 0.890 0.631 0.938 0.662 CB 1.699 66 residues pruned to eliminate duplicates Z: 12 16.283 2.223 0.502 0.454 1.000 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 16 31.716 2.122 0.753 0.892 1.000 0.667 CB 1.580 16 residues pruned to eliminate duplicates Z: 19 20.466 1.987 0.839 0.490 0.944 0.778 CB 1.412 19 residues pruned to eliminate duplicates Z: 41 39.204 2.324 0.845 0.532 0.875 0.625 CB 1.602 41 residues pruned to eliminate duplicates Z: 41 33.434 2.243 0.799 0.348 0.900 0.550 CB 1.716 41 residues pruned to eliminate duplicates Z: 120 96.842 2.388 0.916 0.658 0.950 0.714 CB 1.765 120 residues pruned to eliminate duplicates Z: 26 69.503 2.414 1.194 0.930 1.000 0.880 C 1.835 26 residues pruned to eliminate duplicates Z: 35 52.389 2.286 0.924 0.647 0.971 0.706 CB 1.835 35 residues pruned to eliminate duplicates Z: 46 71.166 2.322 1.188 0.771 0.956 0.733 CB 1.718 46 residues pruned to eliminate duplicates Z: 29 60.792 2.424 1.186 0.694 0.929 0.679 CB 1.955 29 residues pruned to eliminate duplicates Z: 20 22.940 2.012 0.971 0.617 0.895 0.737 CB 1.328 20 residues pruned to eliminate duplicates Z: 52 66.773 2.448 1.102 0.636 0.863 0.569 CB 1.853 52 residues pruned to eliminate duplicates Z: 14 56.639 2.392 1.347 0.948 1.000 0.692 C 1.932 14 residues pruned to eliminate duplicates Z: 18 44.017 2.435 1.002 0.831 0.941 0.824 C 1.748 18 residues pruned to eliminate duplicates Z: 26 40.347 2.309 0.679 0.681 0.960 0.800 CB 1.837 26 residues pruned to eliminate duplicates Z: 14 11.102 2.286 0.689 0.224 0.692 0.385 CB 1.592 14 residues pruned to eliminate duplicates Z: 25 30.466 2.156 0.661 0.556 0.958 0.708 CB 1.716 25 residues pruned to eliminate duplicates Z: 41 25.546 2.237 0.609 0.378 0.825 0.450 CB 1.550 41 residues pruned to eliminate duplicates Z: 43 72.361 2.535 1.060 0.660 0.929 0.738 CB 1.986 43 residues pruned to eliminate duplicates Z: 7 2.274 1.361 0.439 0.369 0.667 0.500 N 0.817 Z: 7 11.787 1.849 0.773 0.846 1.000 1.000 CB 1.091 7 residues pruned to eliminate duplicates Z: 10 4.001 1.722 0.521 0.458 0.556 0.333 CB 0.956 Z: 35 58.793 2.433 0.949 0.640 0.971 0.706 CB 1.921 35 residues pruned to eliminate duplicates Z: 25 21.679 2.037 0.760 0.492 0.875 0.583 CB 1.423 25 residues pruned to eliminate duplicates Z: 21 21.775 1.962 0.776 0.496 0.900 0.450 CB 1.558 28 residues pruned to eliminate duplicates Z: 13 5.565 1.264 0.545 0.629 1.000 0.583 CB 0.729 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 44 56.274 2.307 0.949 0.623 0.953 0.651 CB 1.784 44 residues pruned to eliminate duplicates Z: 38 59.839 2.409 0.917 0.675 0.973 0.703 CB 1.864 37 residues pruned to eliminate duplicates Z: 7 4.241 1.581 0.776 0.225 0.833 0.500 CB 1.021 7 residues pruned to eliminate duplicates Z: 37 59.321 2.426 0.845 0.687 0.972 0.750 CB 1.915 38 residues pruned to eliminate duplicates Z: 17 30.410 2.165 0.494 0.798 1.000 0.812 C 1.811 17 residues pruned to eliminate duplicates Z: 36 57.043 2.355 0.859 0.689 0.971 0.686 CB 1.907 33 residues pruned to eliminate duplicates Z: 15 44.826 2.274 1.090 0.941 1.000 0.786 C 1.749 15 residues pruned to eliminate duplicates Z: 36 52.477 2.326 1.001 0.655 0.886 0.629 CB 1.863 36 residues pruned to eliminate duplicates Z: 61 60.731 2.302 0.998 0.567 0.967 0.600 CB 1.652 61 residues pruned to eliminate duplicates Z: 36 66.161 2.465 1.028 0.688 0.971 0.743 C 1.938 39 residues pruned to eliminate duplicates Z: 15 47.767 2.278 1.128 0.922 1.000 0.786 C 1.852 15 residues pruned to eliminate duplicates Z: 39 55.259 2.351 0.921 0.690 0.921 0.632 CB 1.811 39 residues pruned to eliminate duplicates Z: 31 59.743 2.459 1.018 0.682 0.967 0.667 C 1.924 31 residues pruned to eliminate duplicates Z: 37 67.780 2.445 1.121 0.675 0.972 0.639 CB 1.906 37 residues pruned to eliminate duplicates Z: 37 69.957 2.434 1.193 0.687 0.972 0.583 CB 1.893 37 residues pruned to eliminate duplicates Z: 29 69.462 2.464 1.205 0.749 1.000 0.786 CB 1.935 29 residues pruned to eliminate duplicates Z: 38 62.694 2.369 1.250 0.667 0.892 0.595 CB 1.858 38 residues pruned to eliminate duplicates Z: 40 57.666 2.306 1.146 0.685 0.897 0.718 CB 1.754 40 residues pruned to eliminate duplicates Z: 37 69.917 2.421 1.228 0.672 0.972 0.722 CB 1.896 37 residues pruned to eliminate duplicates Z: 32 58.457 2.392 1.081 0.704 0.935 0.677 C 1.873 32 residues pruned to eliminate duplicates Z: 39 66.778 2.336 1.239 0.682 0.974 0.658 CB 1.800 39 residues pruned to eliminate duplicates Z: 38 69.608 2.390 1.246 0.677 0.973 0.703 CB 1.861 38 residues pruned to eliminate duplicates Z: 97 94.286 2.375 1.196 0.626 0.885 0.656 CB 1.850 37 residues pruned to eliminate duplicates Z: 10 19.705 2.224 0.763 0.586 1.000 0.667 CA 1.543 10 residues pruned to eliminate duplicates Z: 38 68.090 2.375 1.071 0.694 1.000 0.784 CB 1.906 38 residues pruned to eliminate duplicates Z: 32 66.840 2.376 1.188 0.723 1.000 0.742 CB 1.888 32 residues pruned to eliminate duplicates Z: 51 55.220 2.225 0.954 0.571 0.960 0.520 CB 1.748 51 residues pruned to eliminate duplicates Z: 32 65.481 2.420 1.151 0.702 0.968 0.742 C 1.943 32 residues pruned to eliminate duplicates Z: 95 87.180 2.410 0.882 0.634 0.936 0.660 CB 1.868 95 residues pruned to eliminate duplicates Z: 85 93.770 2.412 1.072 0.658 0.952 0.643 CB 1.856 85 residues pruned to eliminate duplicates Z: 86 68.952 2.308 0.787 0.611 0.941 0.647 CB 1.734 86 residues pruned to eliminate duplicates Z: 24 20.683 2.277 0.408 0.402 0.870 0.478 CB 1.716 24 residues pruned to eliminate duplicates Z: 72 68.898 2.387 0.974 0.593 0.915 0.690 CB 1.734 72 residues pruned to eliminate duplicates Z: 66 67.329 2.351 1.005 0.620 0.923 0.646 CB 1.714 66 residues pruned to eliminate duplicates Z: 79 66.785 2.355 0.940 0.584 0.885 0.679 CB 1.726 79 residues pruned to eliminate duplicates Z: 31 21.489 2.179 0.723 0.380 0.800 0.433 CB 1.485 31 residues pruned to eliminate duplicates Z: 71 67.164 2.389 0.893 0.601 0.929 0.714 CB 1.736 71 residues pruned to eliminate duplicates Z: 30 17.798 2.089 0.799 0.328 0.759 0.379 CB 1.400 30 residues pruned to eliminate duplicates Z: 26 16.865 2.027 0.690 0.400 0.840 0.440 CB 1.303 26 residues pruned to eliminate duplicates Z: 24 19.043 2.060 0.636 0.449 0.826 0.522 CB 1.503 24 residues pruned to eliminate duplicates Z: 32 26.126 2.116 0.921 0.422 0.903 0.484 CB 1.387 32 residues pruned to eliminate duplicates Z: 72 68.625 2.397 0.954 0.596 0.915 0.662 CB 1.732 72 residues pruned to eliminate duplicates Z: 63 63.790 2.389 0.833 0.643 0.952 0.710 CB 1.700 63 residues pruned to eliminate duplicates Z: 28 20.273 1.972 0.699 0.411 0.889 0.444 CB 1.438 28 residues pruned to eliminate duplicates Z: 68 64.330 2.351 0.886 0.618 0.955 0.672 CB 1.661 68 residues pruned to eliminate duplicates Z: 29 20.772 2.186 0.670 0.430 0.821 0.429 CB 1.408 29 residues pruned to eliminate duplicates Z: 67 58.162 2.362 0.842 0.584 0.879 0.652 CB 1.728 67 residues pruned to eliminate duplicates Z: 40 73.992 2.549 1.106 0.746 0.949 0.795 CB 1.867 40 residues pruned to eliminate duplicates Z: 87 59.691 2.335 0.785 0.551 0.907 0.616 CB 1.620 87 residues pruned to eliminate duplicates Z: 10 5.806 2.169 0.265 0.158 0.889 0.222 CB 1.206 10 residues pruned to eliminate duplicates Z: 47 65.156 2.408 0.921 0.754 0.957 0.783 CB 1.731 47 residues pruned to eliminate duplicates Z: 74 61.286 2.311 0.917 0.618 0.904 0.630 CB 1.602 74 residues pruned to eliminate duplicates Z: 68 68.920 2.358 1.005 0.630 0.925 0.716 CB 1.703 68 residues pruned to eliminate duplicates Z: 53 64.156 2.395 0.909 0.689 0.962 0.654 CB 1.702 53 residues pruned to eliminate duplicates Z: 64 56.963 2.322 0.826 0.613 0.921 0.651 CB 1.652 64 residues pruned to eliminate duplicates Z: 54 57.666 2.345 0.997 0.632 0.868 0.623 CB 1.722 54 residues pruned to eliminate duplicates Z: 41 74.692 2.549 1.051 0.738 0.950 0.775 CB 1.920 41 residues pruned to eliminate duplicates Z: 73 71.158 2.376 1.042 0.587 0.903 0.639 CB 1.762 73 residues pruned to eliminate duplicates Z: 66 63.835 2.337 1.001 0.624 0.892 0.662 CB 1.688 66 residues pruned to eliminate duplicates Z: 75 63.640 2.281 0.970 0.614 0.919 0.689 CB 1.608 75 residues pruned to eliminate duplicates Z: 45 70.424 2.465 1.028 0.759 0.955 0.750 CB 1.768 45 residues pruned to eliminate duplicates Z: 72 71.568 2.392 1.000 0.607 0.915 0.648 CB 1.751 72 residues pruned to eliminate duplicates Z: 52 74.377 2.478 1.134 0.628 0.941 0.667 CB 1.854 52 residues pruned to eliminate duplicates Z: 67 72.800 2.362 1.090 0.630 0.939 0.667 CB 1.711 67 residues pruned to eliminate duplicates Z: 66 71.350 2.337 1.137 0.659 0.938 0.692 CB 1.629 66 residues pruned to eliminate duplicates Z: 52 72.227 2.482 1.149 0.650 0.902 0.706 CB 1.828 52 residues pruned to eliminate duplicates Z: 42 74.935 2.521 1.058 0.758 0.951 0.805 CB 1.885 42 residues pruned to eliminate duplicates Z: 76 66.129 2.352 0.936 0.594 0.907 0.667 CB 1.690 76 residues pruned to eliminate duplicates Z: 71 68.851 2.358 1.043 0.605 0.886 0.686 CB 1.746 71 residues pruned to eliminate duplicates Z: 64 58.289 2.347 0.993 0.605 0.841 0.667 CB 1.689 64 residues pruned to eliminate duplicates Z: 78 69.465 2.388 1.014 0.585 0.896 0.649 CB 1.693 78 residues pruned to eliminate duplicates Z: 46 70.395 2.452 1.070 0.753 0.911 0.733 CB 1.811 46 residues pruned to eliminate duplicates Z: 85 66.190 2.340 0.971 0.554 0.893 0.631 CB 1.663 85 residues pruned to eliminate duplicates Z: 71 68.565 2.393 1.023 0.586 0.871 0.629 CB 1.788 71 residues pruned to eliminate duplicates Z: 68 69.519 2.383 1.048 0.611 0.896 0.627 CB 1.748 68 residues pruned to eliminate duplicates Z: 41 75.339 2.525 1.136 0.776 0.925 0.800 CB 1.871 41 residues pruned to eliminate duplicates Z: 71 63.762 2.356 1.034 0.601 0.871 0.643 CB 1.658 71 residues pruned to eliminate duplicates Z: 72 52.387 2.231 0.907 0.585 0.873 0.606 CB 1.542 72 residues pruned to eliminate duplicates Z: 65 70.482 2.383 0.943 0.643 0.953 0.641 CB 1.747 65 residues pruned to eliminate duplicates Z: 36 29.619 2.289 0.883 0.354 0.829 0.486 CB 1.642 36 residues pruned to eliminate duplicates Z: 65 72.004 2.372 1.022 0.654 0.953 0.719 CB 1.707 65 residues pruned to eliminate duplicates Z: 79 67.258 2.396 1.006 0.580 0.872 0.603 CB 1.683 79 residues pruned to eliminate duplicates Z: 69 68.678 2.317 1.048 0.632 0.941 0.662 CB 1.647 69 residues pruned to eliminate duplicates Z: 74 74.002 2.376 1.056 0.596 0.904 0.658 CB 1.788 74 residues pruned to eliminate duplicates Z: 54 67.069 2.457 1.102 0.631 0.868 0.679 CB 1.817 54 residues pruned to eliminate duplicates Z: 50 79.204 2.463 1.256 0.669 0.939 0.694 CB 1.855 50 residues pruned to eliminate duplicates Z: 17 20.527 2.078 0.943 0.513 0.938 0.500 CB 1.338 17 residues pruned to eliminate duplicates Z: 18 23.439 1.915 0.945 0.541 0.941 0.471 CA 1.558 18 residues pruned to eliminate duplicates Z: 16 21.687 2.069 1.017 0.586 0.867 0.800 CB 1.425 16 residues pruned to eliminate duplicates Z: 17 22.794 1.934 0.887 0.599 1.000 0.562 CB 1.421 17 residues pruned to eliminate duplicates Z: 15 26.596 2.091 1.088 0.586 1.000 0.500 CB 1.499 15 residues pruned to eliminate duplicates Z: 56 38.983 2.247 0.960 0.440 0.818 0.473 CB 1.551 56 residues pruned to eliminate duplicates Z: 28 36.489 2.098 1.246 0.555 0.926 0.630 CB 1.526 28 residues pruned to eliminate duplicates Z: 146 101.245 2.401 0.919 0.579 0.959 0.662 CB 1.764 146 residues pruned to eliminate duplicates Z: 13 19.498 2.308 1.053 0.487 0.667 0.667 CB 1.805 13 residues pruned to eliminate duplicates Z: 41 34.266 2.246 0.832 0.395 0.850 0.550 CB 1.731 41 residues pruned to eliminate duplicates Z: 14 15.987 2.083 0.734 0.388 0.846 0.462 CB 1.634 14 residues pruned to eliminate duplicates Z: 84 73.276 2.350 1.014 0.559 0.916 0.651 CB 1.752 84 residues pruned to eliminate duplicates Z: 23 14.890 1.969 0.782 0.295 0.909 0.409 CB 1.252 23 residues pruned to eliminate duplicates Z: 108 80.654 2.404 0.914 0.543 0.925 0.664 CB 1.756 108 residues pruned to eliminate duplicates Z: 31 26.147 2.111 0.754 0.417 0.900 0.500 CB 1.563 31 residues pruned to eliminate duplicates Z: 143 100.293 2.424 0.894 0.583 0.944 0.690 CB 1.794 104 residues pruned to eliminate duplicates Z: 6 2.696 1.437 0.261 0.370 0.800 0.400 C 0.956 6 residues pruned to eliminate duplicates Z: 36 27.177 2.135 0.802 0.373 0.886 0.514 CB 1.544 36 residues pruned to eliminate duplicates Z: 144 99.209 2.408 0.876 0.577 0.958 0.699 CB 1.780 144 residues pruned to eliminate duplicates Z: 105 77.732 2.349 0.974 0.538 0.923 0.635 CB 1.715 105 residues pruned to eliminate duplicates Z: 11 5.554 1.575 0.665 0.273 0.800 0.300 CB 1.082 11 residues pruned to eliminate duplicates Z: 41 30.951 2.270 0.764 0.372 0.875 0.425 CB 1.601 41 residues pruned to eliminate duplicates Z: 138 99.508 2.409 0.914 0.583 0.956 0.708 CB 1.780 138 residues pruned to eliminate duplicates Z: 26 30.064 2.322 0.809 0.381 0.920 0.600 CB 1.767 26 residues pruned to eliminate duplicates Z: 79 72.959 2.387 0.951 0.573 0.923 0.628 CB 1.791 79 residues pruned to eliminate duplicates Z: 102 77.089 2.376 0.887 0.542 0.950 0.713 CB 1.727 102 residues pruned to eliminate duplicates Z: 41 34.669 2.306 0.833 0.394 0.875 0.475 CB 1.658 41 residues pruned to eliminate duplicates Z: 124 94.382 2.444 0.841 0.605 0.943 0.707 CB 1.816 124 residues pruned to eliminate duplicates Z: 20 30.568 2.518 0.925 0.366 0.895 0.368 CB 1.868 20 residues pruned to eliminate duplicates Z: 42 29.765 2.257 0.794 0.373 0.805 0.390 CB 1.634 42 residues pruned to eliminate duplicates Z: 47 78.045 2.508 1.056 0.683 0.957 0.696 CB 1.973 47 residues pruned to eliminate duplicates Z: 21 31.276 2.374 0.988 0.409 0.850 0.450 CB 1.918 21 residues pruned to eliminate duplicates Z: 90 80.771 2.419 1.002 0.579 0.921 0.719 CB 1.778 90 residues pruned to eliminate duplicates Z: 23 27.617 2.260 1.049 0.382 0.864 0.364 CB 1.668 23 residues pruned to eliminate duplicates Z: 13 16.165 2.488 0.918 0.199 0.750 0.167 CB 1.864 13 residues pruned to eliminate duplicates Z: 14 12.335 2.284 0.856 0.193 0.692 0.154 C 1.681 14 residues pruned to eliminate duplicates Z: 125 104.006 2.451 0.968 0.622 0.944 0.710 CB 1.829 125 residues pruned to eliminate duplicates Z: 128 98.440 2.407 0.977 0.611 0.929 0.717 CB 1.779 128 residues pruned to eliminate duplicates Z: 22 28.010 2.268 1.024 0.444 0.857 0.476 CB 1.646 22 residues pruned to eliminate duplicates Z: 125 105.727 2.451 0.985 0.625 0.944 0.718 CB 1.838 125 residues pruned to eliminate duplicates Z: 14 14.055 2.259 0.683 0.146 0.923 0.231 CB 1.719 14 residues pruned to eliminate duplicates Z: 59 66.501 2.414 1.014 0.628 0.879 0.638 CB 1.812 59 residues pruned to eliminate duplicates Z: 106 94.214 2.455 0.983 0.632 0.924 0.676 CB 1.806 106 residues pruned to eliminate duplicates Z: 127 99.092 2.412 0.945 0.610 0.952 0.722 CB 1.779 127 residues pruned to eliminate duplicates Z: 90 82.841 2.425 1.011 0.597 0.944 0.685 CB 1.740 90 residues pruned to eliminate duplicates Z: 113 93.000 2.430 0.940 0.615 0.938 0.696 CB 1.784 113 residues pruned to eliminate duplicates Z: 61 64.213 2.406 0.919 0.630 0.900 0.667 CB 1.765 61 residues pruned to eliminate duplicates Z: 74 71.625 2.364 1.002 0.608 0.890 0.616 CB 1.796 74 residues pruned to eliminate duplicates Z: 63 74.133 2.411 1.005 0.642 0.935 0.710 CB 1.823 63 residues pruned to eliminate duplicates Z: 40 66.012 2.399 1.075 0.734 0.949 0.744 CB 1.814 40 residues pruned to eliminate duplicates Z: 110 93.054 2.461 0.931 0.621 0.917 0.734 CB 1.823 110 residues pruned to eliminate duplicates Z: 144 97.387 2.392 0.897 0.589 0.937 0.664 CB 1.759 144 residues pruned to eliminate duplicates Z: 112 94.542 2.417 0.959 0.619 0.946 0.721 CB 1.791 112 residues pruned to eliminate duplicates Z: 90 84.140 2.417 1.060 0.584 0.933 0.674 CB 1.772 90 residues pruned to eliminate duplicates Z: 60 73.543 2.451 1.150 0.658 0.864 0.644 CB 1.814 60 residues pruned to eliminate duplicates Z: 79 82.705 2.449 1.100 0.595 0.923 0.692 CB 1.801 79 residues pruned to eliminate duplicates Z: 125 101.357 2.431 0.946 0.631 0.952 0.694 CB 1.788 125 residues pruned to eliminate duplicates Z: 125 102.263 2.446 0.984 0.612 0.927 0.726 CB 1.836 125 residues pruned to eliminate duplicates Z: 89 84.793 2.409 1.054 0.594 0.932 0.670 CB 1.792 89 residues pruned to eliminate duplicates Z: 62 67.297 2.345 1.138 0.594 0.885 0.574 CB 1.775 62 residues pruned to eliminate duplicates Z: 107 98.223 2.432 0.959 0.663 0.943 0.745 CB 1.826 107 residues pruned to eliminate duplicates Z: 124 101.358 2.459 0.922 0.624 0.943 0.740 CB 1.825 124 residues pruned to eliminate duplicates Z: 89 90.519 2.437 1.122 0.597 0.943 0.648 CB 1.803 89 residues pruned to eliminate duplicates Z: 126 98.669 2.421 0.963 0.604 0.936 0.704 CB 1.798 126 residues pruned to eliminate duplicates Z: 62 77.365 2.414 1.125 0.648 0.918 0.639 CB 1.831 62 residues pruned to eliminate duplicates Z: 93 73.907 2.352 0.961 0.559 0.935 0.609 CB 1.687 93 residues pruned to eliminate duplicates Z: 91 88.320 2.410 1.087 0.593 0.933 0.644 CB 1.814 91 residues pruned to eliminate duplicates Z: 81 80.362 2.423 1.052 0.583 0.950 0.688 CB 1.757 81 residues pruned to eliminate duplicates Z: 101 82.222 2.355 1.087 0.582 0.900 0.700 CB 1.718 101 residues pruned to eliminate duplicates Z: 124 104.884 2.463 0.959 0.629 0.951 0.707 CB 1.825 124 residues pruned to eliminate duplicates Z: 126 103.019 2.421 0.978 0.615 0.952 0.752 CB 1.813 126 residues pruned to eliminate duplicates Z: 60 77.394 2.449 1.103 0.662 0.915 0.729 CB 1.839 60 residues pruned to eliminate duplicates Z: 113 78.465 2.345 1.009 0.545 0.902 0.643 CB 1.671 113 residues pruned to eliminate duplicates Z: 108 98.699 2.409 0.985 0.665 0.944 0.738 CB 1.815 108 residues pruned to eliminate duplicates Z: 48 59.811 2.186 1.111 0.688 0.957 0.702 CB 1.662 48 residues pruned to eliminate duplicates Z: 58 84.367 2.480 1.161 0.659 0.947 0.632 CB 1.899 58 residues pruned to eliminate duplicates Z: 125 104.243 2.447 1.001 0.627 0.927 0.710 CB 1.830 125 residues pruned to eliminate duplicates Z: 139 99.768 2.394 0.943 0.606 0.935 0.703 CB 1.766 139 residues pruned to eliminate duplicates Z: 127 97.295 2.430 0.914 0.631 0.929 0.730 CB 1.774 127 residues pruned to eliminate duplicates Z: 70 82.464 2.398 1.201 0.655 0.928 0.710 CB 1.755 70 residues pruned to eliminate duplicates Z: 107 102.677 2.425 0.984 0.667 0.981 0.698 CB 1.812 107 residues pruned to eliminate duplicates Z: 73 71.139 2.379 0.861 0.600 0.972 0.736 CB 1.771 73 residues pruned to eliminate duplicates Z: 125 107.018 2.442 1.026 0.625 0.952 0.710 CB 1.814 125 residues pruned to eliminate duplicates Z: 124 112.587 2.475 1.021 0.644 0.951 0.748 CB 1.865 124 residues pruned to eliminate duplicates Z: 124 103.495 2.441 0.994 0.603 0.951 0.642 CB 1.828 124 residues pruned to eliminate duplicates Z: 108 103.654 2.423 1.029 0.660 0.972 0.757 CB 1.808 108 residues pruned to eliminate duplicates Z: 71 81.482 2.420 1.147 0.646 0.914 0.729 CB 1.789 71 residues pruned to eliminate duplicates Z: 40 47.151 2.363 1.112 0.520 0.923 0.769 CB 1.606 40 residues pruned to eliminate duplicates Z: 71 76.893 2.381 1.011 0.587 0.971 0.700 CB 1.818 71 residues pruned to eliminate duplicates Z: 142 93.661 2.372 0.886 0.581 0.922 0.638 CB 1.769 142 residues pruned to eliminate duplicates Z: 89 84.525 2.424 1.153 0.589 0.886 0.693 CB 1.788 89 residues pruned to eliminate duplicates Z: 72 72.228 2.406 0.863 0.598 0.972 0.690 CB 1.792 72 residues pruned to eliminate duplicates Z: 26 24.369 2.258 0.873 0.432 0.840 0.560 CB 1.472 26 residues pruned to eliminate duplicates Z: 124 108.248 2.466 1.015 0.631 0.935 0.740 CB 1.857 124 residues pruned to eliminate duplicates Z: 94 85.945 2.374 1.034 0.578 0.968 0.634 CB 1.770 94 residues pruned to eliminate duplicates Z: 38 46.449 2.346 1.083 0.521 0.973 0.676 CB 1.574 38 residues pruned to eliminate duplicates Z: 112 97.411 2.434 0.922 0.625 0.973 0.757 CB 1.805 112 residues pruned to eliminate duplicates Z: 106 100.745 2.423 1.028 0.668 0.943 0.724 CB 1.818 106 residues pruned to eliminate duplicates Z: 89 91.050 2.441 1.062 0.594 0.966 0.727 CB 1.825 89 residues pruned to eliminate duplicates Z: 125 103.447 2.428 0.975 0.608 0.952 0.710 CB 1.837 125 residues pruned to eliminate duplicates Z: 70 81.407 2.404 1.116 0.660 0.942 0.768 CB 1.764 70 residues pruned to eliminate duplicates Z: 110 94.868 2.439 0.913 0.617 0.954 0.697 CB 1.827 110 residues pruned to eliminate duplicates Z: 57 61.902 2.403 0.793 0.599 0.946 0.821 CB 1.846 57 residues pruned to eliminate duplicates Z: 142 90.797 2.380 0.892 0.566 0.915 0.624 CB 1.741 142 residues pruned to eliminate duplicates Z: 56 55.202 2.394 0.660 0.572 0.945 0.691 CB 1.847 56 residues pruned to eliminate duplicates Z: 126 104.000 2.441 0.986 0.630 0.936 0.736 CB 1.814 126 residues pruned to eliminate duplicates Z: 75 76.109 2.320 1.150 0.617 0.905 0.649 CB 1.754 75 residues pruned to eliminate duplicates Z: 107 90.745 2.444 0.924 0.610 0.934 0.736 CB 1.808 107 residues pruned to eliminate duplicates Z: 105 102.315 2.450 0.972 0.667 0.962 0.760 CB 1.851 105 residues pruned to eliminate duplicates Z: 125 102.386 2.444 0.986 0.606 0.935 0.645 CB 1.831 125 residues pruned to eliminate duplicates Z: 123 105.829 2.474 0.955 0.632 0.943 0.721 CB 1.855 123 residues pruned to eliminate duplicates Z: 126 104.767 2.429 0.971 0.607 0.968 0.728 CB 1.827 126 residues pruned to eliminate duplicates Z: 120 91.470 2.418 0.882 0.586 0.941 0.706 CB 1.802 120 residues pruned to eliminate duplicates Z: 41 55.466 2.374 0.719 0.665 1.000 0.725 CB 1.844 41 residues pruned to eliminate duplicates Z: 20 28.371 2.204 0.423 0.770 1.000 0.737 CB 1.635 20 residues pruned to eliminate duplicates Z: 25 31.047 2.292 0.587 0.615 0.958 0.667 CB 1.631 25 residues pruned to eliminate duplicates Z: 107 98.744 2.432 0.939 0.662 0.962 0.764 CB 1.819 107 residues pruned to eliminate duplicates Z: 123 110.200 2.471 1.012 0.642 0.951 0.754 CB 1.849 123 residues pruned to eliminate duplicates Z: 43 49.630 2.291 0.665 0.661 0.976 0.762 CB 1.771 43 residues pruned to eliminate duplicates Z: 83 69.538 2.352 0.700 0.606 0.976 0.744 CB 1.780 40 residues pruned to eliminate duplicates Z: 16 33.486 2.361 0.398 0.902 1.000 0.867 CB 1.868 16 residues pruned to eliminate duplicates Z: 42 53.116 2.344 0.696 0.671 1.000 0.780 CB 1.782 42 residues pruned to eliminate duplicates Z: 79 70.974 2.393 0.804 0.590 0.974 0.769 CB 1.752 79 residues pruned to eliminate duplicates Z: 43 51.807 2.330 0.748 0.638 0.952 0.762 CB 1.811 43 residues pruned to eliminate duplicates Z: 78 68.843 2.393 0.822 0.596 0.948 0.792 CB 1.731 78 residues pruned to eliminate duplicates Z: 41 54.170 2.405 0.739 0.648 0.975 0.725 CB 1.830 41 residues pruned to eliminate duplicates Z: 41 60.192 2.387 0.897 0.632 1.000 0.750 CB 1.856 41 residues pruned to eliminate duplicates Z: 79 89.024 2.388 1.011 0.686 0.936 0.718 CB 1.890 79 residues pruned to eliminate duplicates Z: 81 71.914 2.358 0.928 0.572 0.963 0.725 CB 1.713 81 residues pruned to eliminate duplicates Z: 44 62.962 2.401 0.858 0.670 0.977 0.837 CB 1.884 44 residues pruned to eliminate duplicates Z: 44 52.633 2.319 0.765 0.633 0.977 0.674 CB 1.773 44 residues pruned to eliminate duplicates Z: 79 78.809 2.382 0.754 0.665 0.987 0.769 CB 1.857 79 residues pruned to eliminate duplicates Z: 125 103.469 2.444 0.952 0.618 0.944 0.718 CB 1.846 125 residues pruned to eliminate duplicates Z: 72 67.018 2.395 0.793 0.619 0.944 0.704 CB 1.754 72 residues pruned to eliminate duplicates Z: 125 103.947 2.426 0.932 0.623 0.976 0.726 CB 1.817 125 residues pruned to eliminate duplicates Z: 42 51.502 2.351 0.714 0.630 0.976 0.707 CB 1.810 42 residues pruned to eliminate duplicates Z: 42 57.472 2.384 0.783 0.650 0.976 0.780 CB 1.882 42 residues pruned to eliminate duplicates Z: 40 53.570 2.428 0.626 0.670 0.974 0.667 CB 1.905 40 residues pruned to eliminate duplicates Z: 43 55.611 2.373 0.718 0.663 0.976 0.762 CB 1.854 43 residues pruned to eliminate duplicates Z: 125 107.092 2.446 1.024 0.635 0.935 0.702 CB 1.830 125 residues pruned to eliminate duplicates Z: 80 84.417 2.393 0.934 0.668 0.949 0.722 CB 1.850 80 residues pruned to eliminate duplicates Z: 46 48.185 2.246 0.774 0.601 0.933 0.689 CB 1.755 46 residues pruned to eliminate duplicates Z: 101 84.140 2.369 0.904 0.611 0.920 0.640 CB 1.826 101 residues pruned to eliminate duplicates Z: 127 102.848 2.421 0.945 0.610 0.968 0.675 CB 1.810 127 residues pruned to eliminate duplicates Z: 60 53.386 2.364 0.643 0.580 0.932 0.847 CB 1.778 60 residues pruned to eliminate duplicates Z: 37 55.634 2.370 0.704 0.721 1.000 0.806 CB 1.880 37 residues pruned to eliminate duplicates Z: 42 52.132 2.333 0.788 0.637 0.951 0.732 CB 1.804 42 residues pruned to eliminate duplicates Z: 108 86.398 2.352 0.966 0.607 0.935 0.701 CB 1.745 108 residues pruned to eliminate duplicates Z: 84 67.540 2.340 0.711 0.596 0.964 0.699 CB 1.753 84 residues pruned to eliminate duplicates Z: 84 71.066 2.354 0.699 0.643 0.964 0.735 CB 1.771 84 residues pruned to eliminate duplicates Z: 19 27.317 2.305 0.442 0.767 0.889 0.833 CB 1.721 19 residues pruned to eliminate duplicates Z: 82 74.793 2.364 0.787 0.623 0.963 0.728 CB 1.819 82 residues pruned to eliminate duplicates Z: 84 83.114 2.418 0.900 0.645 0.964 0.687 CB 1.799 84 residues pruned to eliminate duplicates Z: 43 48.496 2.316 0.770 0.616 0.929 0.667 CB 1.762 43 residues pruned to eliminate duplicates Z: 50 54.283 2.319 0.829 0.635 0.980 0.776 CB 1.644 50 residues pruned to eliminate duplicates Z: 42 53.906 2.362 0.787 0.643 0.976 0.756 CB 1.789 42 residues pruned to eliminate duplicates Z: 17 30.740 2.327 0.355 0.899 1.000 0.938 CB 1.742 17 residues pruned to eliminate duplicates Z: 52 58.964 2.329 0.862 0.625 0.980 0.765 CB 1.727 52 residues pruned to eliminate duplicates Z: 15 37.428 2.376 0.624 0.931 1.000 0.857 CB 1.810 15 residues pruned to eliminate duplicates Z: 42 56.619 2.374 0.881 0.640 0.951 0.780 CB 1.825 42 residues pruned to eliminate duplicates Z: 42 59.765 2.370 0.916 0.664 0.951 0.780 CB 1.857 42 residues pruned to eliminate duplicates Z: 42 52.870 2.356 0.835 0.616 0.951 0.756 CB 1.800 42 residues pruned to eliminate duplicates Z: 51 57.954 2.341 0.859 0.605 0.980 0.680 CB 1.740 51 residues pruned to eliminate duplicates Z: 36 61.673 2.407 0.908 0.721 1.000 0.829 CB 1.860 36 residues pruned to eliminate duplicates Z: 43 51.020 2.348 0.733 0.640 0.952 0.714 CB 1.782 43 residues pruned to eliminate duplicates Z: 135 106.726 2.422 0.887 0.628 0.948 0.701 CB 1.886 135 residues pruned to eliminate duplicates Z: 37 55.893 2.377 0.888 0.680 0.972 0.889 CB 1.809 37 residues pruned to eliminate duplicates Z: 50 61.815 2.363 0.916 0.650 0.980 0.755 CB 1.731 50 residues pruned to eliminate duplicates Z: 42 59.353 2.359 0.929 0.654 0.976 0.756 CB 1.809 42 residues pruned to eliminate duplicates Z: 54 49.399 2.235 0.771 0.596 0.962 0.604 CB 1.625 54 residues pruned to eliminate duplicates Z: 42 55.809 2.349 0.803 0.669 0.976 0.780 CB 1.805 42 residues pruned to eliminate duplicates Z: 42 61.362 2.358 1.030 0.641 0.976 0.756 CB 1.798 42 residues pruned to eliminate duplicates Z: 46 51.934 2.289 0.959 0.603 0.933 0.756 CB 1.677 46 residues pruned to eliminate duplicates Z: 42 62.102 2.354 0.908 0.644 1.000 0.805 CB 1.888 42 residues pruned to eliminate duplicates Z: 12 34.301 2.438 0.901 0.689 1.000 0.545 CB 1.877 12 residues pruned to eliminate duplicates Z: 99 84.691 2.370 0.999 0.604 0.929 0.694 CB 1.761 99 residues pruned to eliminate duplicates Z: 43 59.125 2.363 0.806 0.672 0.976 0.714 CB 1.868 43 residues pruned to eliminate duplicates Z: 42 57.598 2.338 0.877 0.650 1.000 0.756 CB 1.782 42 residues pruned to eliminate duplicates Z: 42 61.320 2.366 0.928 0.657 0.976 0.707 CB 1.860 42 residues pruned to eliminate duplicates Z: 53 50.543 2.278 0.773 0.616 0.942 0.808 CB 1.650 53 residues pruned to eliminate duplicates Z: 51 64.601 2.359 1.024 0.651 0.960 0.820 CB 1.731 51 residues pruned to eliminate duplicates Z: 49 63.370 2.353 1.068 0.645 0.958 0.750 CB 1.714 49 residues pruned to eliminate duplicates Z: 43 50.670 2.318 0.869 0.641 0.929 0.762 CB 1.703 43 residues pruned to eliminate duplicates Z: 85 74.281 2.308 0.848 0.626 0.964 0.750 CB 1.751 85 residues pruned to eliminate duplicates Z: 47 63.226 2.409 1.047 0.599 0.935 0.565 CB 1.840 47 residues pruned to eliminate duplicates Z: 86 67.447 2.347 0.983 0.593 0.894 0.647 CB 1.609 86 residues pruned to eliminate duplicates Z: 13 17.683 2.204 1.095 0.431 0.750 0.500 CB 1.583 13 residues pruned to eliminate duplicates Z: 14 19.300 2.293 1.137 0.408 0.769 0.615 CB 1.563 14 residues pruned to eliminate duplicates Z: 14 20.640 2.413 1.062 0.413 0.846 0.692 CB 1.489 14 residues pruned to eliminate duplicates Z: 10 7.792 2.157 0.862 0.371 0.667 0.556 CB 1.114 10 residues pruned to eliminate duplicates Z: 15 21.246 2.261 1.180 0.386 0.857 0.571 CB 1.517 15 residues pruned to eliminate duplicates 320 residues left after pruning, divided into chains as follows: A: 13 B: 307 CC for partial structure against native data = 44.03 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.483, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.655, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.658, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.666, Connect. = 0.821 for dens.mod. cycle 5 = 0.300, Contrast = 0.668, Connect. = 0.823 for dens.mod. cycle 6 = 0.300, Contrast = 0.671, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.672, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.673, Connect. = 0.826 for dens.mod. cycle 9 TimeTaking 255.87