null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:51:06 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: ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.ins Phases from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi Native data from ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.hkl Listing output to ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.lst Phases output to ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phs Poly-Ala trace output to ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 49464 Reflections read from file ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.phi 49464 Reflections read from file ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.hkl 49464 Unique data, highest resolution = 1.700 Angstroms Anisotropic scaling: intensities multiplied by -0.000082h^2 +0.000162k^2 -0.000017l^2 +0.000000kl +0.000000hl +0.000000hk 3925 Reflections with d > 1.900 and 0 in range 1.900 > d > 1.700 added Density sharpening factor set to 1.20 Fourier grid = 128 x 128 x 51 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.744 = 0.300, Contrast = 0.108, Connect. = 0.482 for dens.mod. cycle 1 = 0.300, Contrast = 0.292, Connect. = 0.551 for dens.mod. cycle 2 = 0.300, Contrast = 0.512, Connect. = 0.683 for dens.mod. cycle 3 = 0.300, Contrast = 0.602, Connect. = 0.725 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.743 for dens.mod. cycle 5 = 0.300, Contrast = 0.664, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.677, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.684, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.689, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.770 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2736 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 35.052 2.284 0.873 0.831 0.938 0.500 CA 1.641 B: 16 33.098 2.302 0.869 0.847 0.933 0.867 CB 1.579 C: 16 34.884 2.272 0.904 0.833 1.000 0.667 CB 1.561 16 residues pruned to eliminate duplicates D: 31 21.467 1.980 0.585 0.507 0.933 0.600 CB 1.329 E: 18 33.971 2.192 1.074 0.810 0.882 0.647 CB 1.567 18 residues pruned to eliminate duplicates F: 18 38.336 2.168 0.896 0.854 1.000 0.765 CA 1.672 17 residues pruned to eliminate duplicates G: 33 23.357 2.080 0.552 0.488 0.906 0.531 CB 1.428 H: 27 20.603 2.092 0.544 0.533 0.923 0.538 CB 1.311 27 residues pruned to eliminate duplicates I: 33 45.727 2.135 1.254 0.559 1.000 0.750 CB 1.586 J: 15 27.154 2.225 0.602 0.877 1.000 0.857 CA 1.479 K: 45 50.704 2.216 1.051 0.608 0.977 0.705 CB 1.554 18 residues pruned to eliminate duplicates L: 12 21.238 2.229 1.119 0.462 0.909 0.727 CB 1.550 4 residues pruned to eliminate duplicates M: 15 33.271 2.171 0.933 0.896 1.000 0.857 CA 1.518 N: 25 21.815 1.999 0.608 0.532 0.917 0.625 CB 1.463 25 residues pruned to eliminate duplicates O: 18 39.229 2.213 0.898 0.823 1.000 0.706 CA 1.711 19 residues pruned to eliminate duplicates P: 8 6.228 1.773 0.585 0.496 0.571 0.286 CB 1.473 Q: 15 29.934 2.159 0.696 0.891 1.000 0.714 CA 1.571 15 residues pruned to eliminate duplicates R: 33 16.568 1.932 0.568 0.351 0.844 0.375 CB 1.347 32 residues pruned to eliminate duplicates S: 15 26.035 2.174 0.490 0.876 0.929 0.786 CA 1.681 14 residues pruned to eliminate duplicates T: 12 22.961 1.905 0.901 0.875 1.000 0.818 CB 1.391 U: 29 20.961 2.037 0.537 0.518 0.964 0.571 CB 1.288 29 residues pruned to eliminate duplicates V: 19 42.990 2.109 1.198 0.785 1.000 0.722 CA 1.701 19 residues pruned to eliminate duplicates W: 15 23.567 2.250 0.405 0.867 0.929 0.857 CA 1.569 15 residues pruned to eliminate duplicates X: 23 16.121 1.996 0.529 0.406 0.773 0.500 CB 1.608 23 residues pruned to eliminate duplicates Y: 6 4.305 1.602 -0.114 0.762 1.000 0.600 CA 1.075 Z: 16 30.330 2.112 0.751 0.855 1.000 0.867 CA 1.562 16 residues pruned to eliminate duplicates Z: 15 16.350 1.930 0.517 0.845 0.714 0.714 CA 1.555 15 residues pruned to eliminate duplicates Z: 41 36.904 2.105 0.914 0.488 0.950 0.650 CB 1.543 13 residues pruned to eliminate duplicates Z: 50 41.765 2.202 0.779 0.619 0.918 0.633 CB 1.483 34 residues pruned to eliminate duplicates Z: 46 54.409 2.241 1.119 0.655 0.911 0.711 CB 1.623 17 residues pruned to eliminate duplicates Z: 16 31.760 2.304 0.765 0.780 0.933 0.600 CB 1.688 16 residues pruned to eliminate duplicates Z: 17 43.531 2.298 1.144 0.792 1.000 0.625 CA 1.709 17 residues pruned to eliminate duplicates Z: 16 27.674 2.190 0.652 0.824 0.933 0.667 CB 1.598 16 residues pruned to eliminate duplicates Z: 15 33.772 2.092 0.955 0.894 1.000 0.929 CB 1.583 15 residues pruned to eliminate duplicates Z: 33 32.613 2.079 0.736 0.566 0.969 0.656 CB 1.547 34 residues pruned to eliminate duplicates Z: 20 22.051 2.137 0.703 0.463 0.895 0.684 CB 1.614 20 residues pruned to eliminate duplicates Z: 11 16.604 2.042 0.945 0.826 0.700 0.500 CB 1.425 Z: 30 47.453 2.247 1.024 0.688 1.000 0.724 CB 1.631 30 residues pruned to eliminate duplicates Z: 13 7.095 1.849 0.527 0.392 0.583 0.417 CB 1.393 13 residues pruned to eliminate duplicates Z: 87 57.573 2.174 0.840 0.582 0.942 0.593 CB 1.522 87 residues pruned to eliminate duplicates Z: 15 33.336 2.294 0.954 0.850 0.929 0.714 CB 1.586 15 residues pruned to eliminate duplicates Z: 13 19.195 2.126 0.831 0.486 0.917 0.750 CA 1.575 13 residues pruned to eliminate duplicates Z: 31 43.839 2.196 1.228 0.588 0.933 0.733 CB 1.610 31 residues pruned to eliminate duplicates Z: 21 24.489 1.942 0.901 0.594 0.950 0.850 CB 1.428 Z: 33 30.251 2.071 0.621 0.507 1.000 0.562 CB 1.581 33 residues pruned to eliminate duplicates Z: 17 34.085 2.009 1.030 0.822 1.000 0.750 CB 1.581 17 residues pruned to eliminate duplicates Z: 89 53.412 2.133 0.834 0.594 0.932 0.648 CB 1.428 84 residues pruned to eliminate duplicates Z: 11 19.651 2.055 0.515 0.891 1.000 0.800 CB 1.434 11 residues pruned to eliminate duplicates Z: 91 66.718 2.176 1.031 0.603 0.922 0.733 CB 1.564 78 residues pruned to eliminate duplicates Z: 38 36.056 2.132 0.873 0.516 0.946 0.595 CB 1.544 38 residues pruned to eliminate duplicates Z: 38 33.733 2.086 1.136 0.508 0.919 0.676 CB 1.344 38 residues pruned to eliminate duplicates Z: 15 26.448 2.064 0.707 0.883 1.000 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 81 57.470 2.182 0.877 0.595 0.938 0.650 CB 1.528 81 residues pruned to eliminate duplicates Z: 49 43.496 2.199 0.782 0.654 0.917 0.646 CB 1.514 49 residues pruned to eliminate duplicates Z: 85 50.793 2.120 0.825 0.571 0.940 0.702 CB 1.422 85 residues pruned to eliminate duplicates Z: 23 21.855 1.855 0.874 0.606 0.864 0.636 CB 1.404 23 residues pruned to eliminate duplicates Z: 6 14.993 1.971 0.759 0.773 1.000 0.400 CB 1.520 6 residues pruned to eliminate duplicates Z: 11 14.725 1.995 0.280 0.872 1.000 0.800 CA 1.329 11 residues pruned to eliminate duplicates Z: 28 18.368 2.017 0.547 0.564 0.852 0.593 CB 1.250 28 residues pruned to eliminate duplicates Z: 14 11.958 2.025 0.612 0.389 0.923 0.462 CB 1.238 14 residues pruned to eliminate duplicates Z: 17 44.332 2.302 1.037 0.834 1.000 0.812 CA 1.772 17 residues pruned to eliminate duplicates Z: 11 25.010 2.049 1.227 0.804 0.900 0.900 CA 1.477 11 residues pruned to eliminate duplicates Z: 46 44.944 2.200 0.966 0.645 0.933 0.667 CB 1.450 46 residues pruned to eliminate duplicates Z: 14 26.083 2.200 0.623 0.869 0.923 0.846 CB 1.604 14 residues pruned to eliminate duplicates Z: 51 40.896 2.129 0.983 0.529 0.920 0.700 CB 1.447 44 residues pruned to eliminate duplicates Z: 20 26.366 1.977 0.843 0.704 0.947 0.737 CB 1.455 21 residues pruned to eliminate duplicates Z: 17 28.882 2.162 0.868 0.736 0.875 0.625 CB 1.653 17 residues pruned to eliminate duplicates Z: 11 17.168 1.974 0.696 0.842 0.900 0.700 CB 1.342 11 residues pruned to eliminate duplicates Z: 15 33.975 2.265 0.926 0.849 0.929 0.786 CB 1.662 15 residues pruned to eliminate duplicates Z: 14 15.257 2.025 0.893 0.503 0.846 0.538 CB 1.301 14 residues pruned to eliminate duplicates Z: 59 48.186 2.162 0.818 0.608 0.983 0.690 CB 1.479 59 residues pruned to eliminate duplicates Z: 88 52.440 2.101 0.858 0.588 0.897 0.644 CB 1.478 81 residues pruned to eliminate duplicates Z: 19 26.905 2.084 0.579 0.800 0.944 0.722 CB 1.569 19 residues pruned to eliminate duplicates Z: 7 9.567 1.920 0.909 0.533 0.833 0.667 CB 1.239 7 residues pruned to eliminate duplicates Z: 15 25.439 2.265 0.649 0.802 0.929 0.643 CB 1.506 15 residues pruned to eliminate duplicates Z: 16 31.901 2.294 0.813 0.817 0.933 0.733 CB 1.611 16 residues pruned to eliminate duplicates Z: 58 47.421 2.097 1.034 0.539 0.930 0.614 CB 1.524 91 residues pruned to eliminate duplicates Z: 34 49.470 2.168 1.062 0.692 1.000 0.727 CB 1.615 33 residues pruned to eliminate duplicates Z: 12 16.663 1.976 0.656 0.853 0.818 0.455 CA 1.387 12 residues pruned to eliminate duplicates Z: 25 18.745 2.052 0.390 0.580 0.958 0.500 CB 1.296 25 residues pruned to eliminate duplicates Z: 6 5.507 1.780 0.089 0.704 0.800 0.600 CA 1.320 6 residues pruned to eliminate duplicates Z: 12 9.005 1.805 0.338 0.855 0.909 0.909 CB 0.913 12 residues pruned to eliminate duplicates Z: 16 28.582 2.162 0.499 0.895 1.000 0.800 CA 1.633 16 residues pruned to eliminate duplicates Z: 12 17.850 1.975 0.627 0.884 0.909 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 28 28.723 2.144 1.027 0.496 0.852 0.630 CB 1.499 28 residues pruned to eliminate duplicates Z: 24 20.229 1.872 0.811 0.577 0.870 0.609 CB 1.329 24 residues pruned to eliminate duplicates Z: 19 17.434 2.057 0.764 0.399 0.833 0.556 CB 1.512 Z: 82 59.424 2.178 0.891 0.581 0.963 0.679 CB 1.540 82 residues pruned to eliminate duplicates Z: 26 20.586 2.044 0.488 0.545 1.000 0.440 CB 1.296 26 residues pruned to eliminate duplicates Z: 40 51.190 2.227 1.069 0.663 0.974 0.718 CB 1.570 40 residues pruned to eliminate duplicates Z: 15 27.299 2.163 0.755 0.881 0.929 0.786 CA 1.498 15 residues pruned to eliminate duplicates Z: 10 23.786 2.085 0.827 0.873 1.000 0.667 CA 1.515 10 residues pruned to eliminate duplicates Z: 17 43.209 2.253 1.216 0.799 1.000 0.625 CA 1.666 17 residues pruned to eliminate duplicates Z: 11 13.166 1.982 0.328 0.830 0.900 0.500 CA 1.321 11 residues pruned to eliminate duplicates Z: 16 19.506 2.113 0.910 0.504 0.867 0.667 CB 1.434 16 residues pruned to eliminate duplicates Z: 82 61.490 2.199 0.975 0.552 0.951 0.691 CB 1.572 86 residues pruned to eliminate duplicates Z: 130 67.099 2.133 0.865 0.591 0.899 0.620 CB 1.515 130 residues pruned to eliminate duplicates Z: 97 70.733 2.204 1.036 0.589 0.948 0.688 CB 1.558 97 residues pruned to eliminate duplicates Z: 14 31.893 2.196 0.734 0.896 1.000 0.769 CA 1.665 14 residues pruned to eliminate duplicates Z: 15 21.768 2.149 1.025 0.553 0.857 0.571 CB 1.482 15 residues pruned to eliminate duplicates Z: 16 27.639 2.071 0.761 0.845 1.000 0.800 CA 1.455 16 residues pruned to eliminate duplicates Z: 32 18.223 1.938 0.554 0.478 0.903 0.548 CB 1.230 32 residues pruned to eliminate duplicates Z: 32 29.248 2.088 1.040 0.492 0.903 0.677 CB 1.376 32 residues pruned to eliminate duplicates Z: 42 43.210 2.151 1.101 0.545 0.951 0.707 CB 1.502 42 residues pruned to eliminate duplicates Z: 17 31.953 2.270 0.735 0.819 0.938 0.812 CB 1.640 17 residues pruned to eliminate duplicates Z: 17 18.752 2.127 0.698 0.477 0.875 0.562 CB 1.519 19 residues pruned to eliminate duplicates Z: 22 27.318 1.942 1.024 0.636 0.952 0.762 CB 1.402 21 residues pruned to eliminate duplicates Z: 31 40.255 2.190 0.922 0.638 0.967 0.700 CB 1.587 31 residues pruned to eliminate duplicates Z: 34 25.949 2.063 0.628 0.478 0.939 0.576 CB 1.464 17 residues pruned to eliminate duplicates Z: 16 38.755 2.254 0.984 0.867 0.933 0.667 CB 1.754 16 residues pruned to eliminate duplicates Z: 16 28.024 2.253 0.724 0.783 0.867 0.467 CA 1.675 16 residues pruned to eliminate duplicates Z: 22 23.457 1.936 0.884 0.592 0.905 0.810 CA 1.420 22 residues pruned to eliminate duplicates Z: 96 63.023 2.203 0.898 0.583 0.905 0.621 CB 1.577 96 residues pruned to eliminate duplicates Z: 13 14.860 1.801 0.623 0.819 0.917 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 12 18.743 1.983 1.129 0.704 0.818 0.727 CA 1.359 12 residues pruned to eliminate duplicates Z: 14 14.154 2.135 0.619 0.569 0.923 0.538 CB 1.151 14 residues pruned to eliminate duplicates Z: 15 28.387 2.127 0.637 0.892 1.000 0.714 CA 1.565 15 residues pruned to eliminate duplicates Z: 15 28.754 2.185 0.530 0.842 1.000 0.571 CA 1.713 15 residues pruned to eliminate duplicates Z: 15 27.077 2.335 0.762 0.557 1.000 0.714 CB 1.664 15 residues pruned to eliminate duplicates Z: 17 29.475 2.189 1.183 0.562 0.938 0.625 CB 1.549 17 residues pruned to eliminate duplicates Z: 11 15.802 2.003 0.347 0.887 1.000 0.700 CA 1.336 11 residues pruned to eliminate duplicates Z: 15 16.486 1.981 0.935 0.358 0.929 0.643 CA 1.442 15 residues pruned to eliminate duplicates Z: 41 30.061 2.029 0.625 0.605 0.900 0.625 CB 1.450 41 residues pruned to eliminate duplicates Z: 15 32.986 2.141 0.946 0.884 1.000 0.857 CA 1.529 15 residues pruned to eliminate duplicates Z: 17 19.209 2.015 1.022 0.444 0.812 0.625 CA 1.537 17 residues pruned to eliminate duplicates Z: 56 30.733 2.091 0.694 0.513 0.873 0.545 CB 1.322 56 residues pruned to eliminate duplicates Z: 47 56.488 2.220 1.145 0.638 0.957 0.696 CB 1.606 48 residues pruned to eliminate duplicates Z: 17 25.283 2.110 0.831 0.834 0.875 0.500 CB 1.402 17 residues pruned to eliminate duplicates Z: 39 32.428 2.105 0.744 0.633 0.842 0.684 CB 1.502 39 residues pruned to eliminate duplicates Z: 11 22.443 2.026 0.847 0.897 1.000 0.700 CA 1.358 17 residues pruned to eliminate duplicates Z: 128 80.550 2.207 0.999 0.600 0.953 0.654 CB 1.545 128 residues pruned to eliminate duplicates Z: 15 26.913 2.167 0.446 0.877 1.000 0.857 CA 1.666 15 residues pruned to eliminate duplicates Z: 86 49.125 2.063 0.860 0.553 0.929 0.600 CB 1.419 86 residues pruned to eliminate duplicates Z: 11 13.635 1.872 0.479 0.833 1.000 0.600 CB 1.168 11 residues pruned to eliminate duplicates Z: 85 60.556 2.176 1.012 0.590 0.940 0.690 CB 1.472 85 residues pruned to eliminate duplicates Z: 47 41.789 2.139 1.009 0.534 0.913 0.609 CB 1.519 47 residues pruned to eliminate duplicates Z: 13 33.650 2.250 1.026 0.895 1.000 0.750 CB 1.527 13 residues pruned to eliminate duplicates Z: 51 46.446 2.164 0.979 0.595 0.920 0.720 CB 1.523 51 residues pruned to eliminate duplicates Z: 11 13.460 1.924 0.270 0.863 0.900 0.900 CB 1.421 11 residues pruned to eliminate duplicates Z: 11 16.357 2.010 0.696 0.875 0.900 0.600 CA 1.225 11 residues pruned to eliminate duplicates Z: 15 27.991 2.124 0.668 0.897 1.000 0.929 CA 1.512 15 residues pruned to eliminate duplicates Z: 14 16.120 1.992 0.939 0.446 0.846 0.462 CB 1.446 14 residues pruned to eliminate duplicates Z: 26 21.111 2.042 0.517 0.505 0.920 0.560 CB 1.473 26 residues pruned to eliminate duplicates Z: 33 34.822 2.071 0.862 0.584 0.969 0.688 CB 1.519 34 residues pruned to eliminate duplicates Z: 128 74.928 2.205 0.891 0.598 0.937 0.654 CB 1.550 128 residues pruned to eliminate duplicates Z: 79 49.478 2.110 0.971 0.576 0.885 0.718 CB 1.416 79 residues pruned to eliminate duplicates Z: 49 31.629 1.949 0.829 0.538 0.917 0.604 CB 1.345 49 residues pruned to eliminate duplicates Z: 12 23.182 2.054 1.101 0.482 1.000 0.636 CB 1.650 12 residues pruned to eliminate duplicates Z: 12 15.145 1.906 0.560 0.820 0.909 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 35 26.870 2.129 0.650 0.490 0.941 0.559 CB 1.407 35 residues pruned to eliminate duplicates Z: 56 36.243 2.123 0.732 0.569 0.927 0.691 CB 1.340 56 residues pruned to eliminate duplicates Z: 47 49.948 2.191 1.093 0.617 0.913 0.717 CB 1.574 47 residues pruned to eliminate duplicates Z: 19 18.430 2.029 0.906 0.428 0.833 0.667 CB 1.452 19 residues pruned to eliminate duplicates Z: 37 37.437 2.085 1.123 0.502 0.944 0.611 CB 1.489 37 residues pruned to eliminate duplicates Z: 10 15.173 2.100 1.159 0.443 0.778 0.778 CA 1.521 10 residues pruned to eliminate duplicates Z: 80 59.291 2.188 0.926 0.608 0.937 0.696 CB 1.526 80 residues pruned to eliminate duplicates Z: 24 22.516 2.081 0.634 0.566 0.957 0.478 CB 1.354 24 residues pruned to eliminate duplicates Z: 46 52.892 2.222 1.060 0.623 0.933 0.711 CB 1.643 46 residues pruned to eliminate duplicates Z: 11 26.662 1.998 1.355 0.778 0.900 0.800 CA 1.557 11 residues pruned to eliminate duplicates Z: 44 41.885 2.164 0.882 0.597 0.884 0.698 CB 1.618 44 residues pruned to eliminate duplicates Z: 22 23.928 1.900 0.872 0.626 0.952 0.762 CB 1.368 22 residues pruned to eliminate duplicates Z: 17 20.264 2.187 1.063 0.473 0.812 0.625 CB 1.420 17 residues pruned to eliminate duplicates Z: 7 8.120 1.960 0.766 0.598 0.833 0.500 CA 1.047 7 residues pruned to eliminate duplicates Z: 33 29.889 2.091 0.769 0.505 0.969 0.656 CB 1.468 32 residues pruned to eliminate duplicates Z: 87 51.315 2.132 0.846 0.556 0.919 0.686 CB 1.449 87 residues pruned to eliminate duplicates Z: 49 50.615 2.213 1.076 0.574 0.917 0.667 CB 1.615 49 residues pruned to eliminate duplicates Z: 11 14.802 1.852 0.471 0.853 1.000 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 12 4.197 1.584 0.402 0.210 0.727 0.364 N 1.103 12 residues pruned to eliminate duplicates Z: 44 53.485 2.214 1.114 0.633 0.953 0.674 CB 1.613 44 residues pruned to eliminate duplicates Z: 12 6.780 1.777 0.299 0.595 0.818 0.364 CB 0.989 12 residues pruned to eliminate duplicates Z: 20 18.306 2.083 0.575 0.427 0.895 0.526 CB 1.543 20 residues pruned to eliminate duplicates Z: 12 13.396 1.875 0.493 0.814 0.909 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 24 18.787 1.785 0.797 0.570 0.957 0.739 CB 1.193 Z: 12 14.069 1.873 0.508 0.850 0.909 0.818 CB 1.223 12 residues pruned to eliminate duplicates Z: 48 44.874 2.117 0.912 0.570 1.000 0.766 CB 1.511 48 residues pruned to eliminate duplicates Z: 125 72.817 2.173 0.879 0.599 0.952 0.734 CB 1.531 125 residues pruned to eliminate duplicates Z: 15 23.055 2.101 0.504 0.883 0.929 0.786 CA 1.518 15 residues pruned to eliminate duplicates Z: 130 76.081 2.183 0.955 0.608 0.938 0.713 CB 1.510 130 residues pruned to eliminate duplicates Z: 16 28.817 2.118 0.879 0.832 0.933 0.733 CB 1.504 16 residues pruned to eliminate duplicates Z: 22 19.621 1.848 0.637 0.649 0.952 0.714 CB 1.294 23 residues pruned to eliminate duplicates Z: 50 47.406 2.158 1.036 0.564 0.980 0.633 CB 1.479 50 residues pruned to eliminate duplicates Z: 14 16.916 1.929 0.915 0.558 0.923 0.615 CB 1.300 14 residues pruned to eliminate duplicates Z: 9 20.783 2.171 0.589 0.898 1.000 0.875 CB 1.523 9 residues pruned to eliminate duplicates Z: 11 10.924 1.805 0.419 0.812 0.900 0.800 CB 1.142 11 residues pruned to eliminate duplicates Z: 18 33.652 2.130 0.837 0.810 1.000 0.765 CA 1.592 18 residues pruned to eliminate duplicates Z: 24 17.306 1.893 0.909 0.359 0.783 0.478 CB 1.486 24 residues pruned to eliminate duplicates Z: 13 36.499 2.307 0.866 0.861 1.000 0.750 CB 1.799 13 residues pruned to eliminate duplicates Z: 43 39.844 2.167 0.819 0.623 0.952 0.762 CB 1.459 43 residues pruned to eliminate duplicates Z: 98 69.507 2.203 1.020 0.577 0.948 0.711 CB 1.553 98 residues pruned to eliminate duplicates Z: 21 16.369 1.845 0.713 0.605 0.900 0.700 CB 1.165 21 residues pruned to eliminate duplicates Z: 13 17.802 2.206 0.676 0.598 0.917 0.667 CB 1.380 13 residues pruned to eliminate duplicates Z: 43 52.290 2.181 1.166 0.663 0.976 0.667 CB 1.505 43 residues pruned to eliminate duplicates Z: 22 23.755 1.901 0.894 0.624 0.952 0.762 CB 1.345 22 residues pruned to eliminate duplicates Z: 11 13.411 1.896 0.537 0.775 0.900 0.700 CB 1.269 11 residues pruned to eliminate duplicates Z: 32 22.315 2.148 0.541 0.447 0.935 0.516 CB 1.366 32 residues pruned to eliminate duplicates Z: 23 21.890 1.870 0.789 0.588 0.955 0.636 CA 1.344 23 residues pruned to eliminate duplicates Z: 15 27.445 2.180 0.588 0.846 1.000 0.786 CA 1.573 15 residues pruned to eliminate duplicates Z: 15 30.626 2.123 0.845 0.895 1.000 0.714 CB 1.498 15 residues pruned to eliminate duplicates Z: 15 10.991 1.837 0.548 0.403 0.786 0.500 CB 1.455 15 residues pruned to eliminate duplicates Z: 53 44.026 2.191 0.887 0.546 0.923 0.731 CB 1.530 53 residues pruned to eliminate duplicates Z: 34 33.062 2.083 0.905 0.509 0.939 0.697 CB 1.531 34 residues pruned to eliminate duplicates Z: 23 18.228 1.767 0.780 0.629 0.955 0.727 CB 1.147 23 residues pruned to eliminate duplicates Z: 75 46.804 2.090 0.914 0.558 0.905 0.743 CB 1.420 75 residues pruned to eliminate duplicates Z: 11 17.199 1.949 0.478 0.876 1.000 0.600 CA 1.372 11 residues pruned to eliminate duplicates Z: 13 11.974 1.769 0.471 0.747 0.917 0.667 CB 1.162 13 residues pruned to eliminate duplicates Z: 8 6.465 1.755 0.515 0.483 0.857 0.714 CB 1.092 8 residues pruned to eliminate duplicates Z: 36 32.750 2.047 1.016 0.547 0.914 0.686 CB 1.401 36 residues pruned to eliminate duplicates Z: 15 29.618 2.181 0.562 0.883 1.000 0.929 CA 1.681 15 residues pruned to eliminate duplicates Z: 85 58.903 2.180 0.952 0.578 0.940 0.714 CB 1.490 85 residues pruned to eliminate duplicates Z: 34 31.706 2.033 0.770 0.662 0.909 0.576 CB 1.451 34 residues pruned to eliminate duplicates Z: 22 18.066 1.819 0.883 0.599 0.857 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 11 14.200 1.950 0.367 0.893 1.000 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 7 2.027 1.778 -0.188 0.546 0.667 0.333 CB 0.822 7 residues pruned to eliminate duplicates Z: 45 51.673 2.192 1.105 0.654 0.932 0.727 CB 1.571 45 residues pruned to eliminate duplicates Z: 12 28.208 2.191 0.889 0.900 0.909 0.909 CB 1.615 12 residues pruned to eliminate duplicates Z: 6 5.393 1.612 -0.061 0.830 1.000 0.800 CA 1.198 6 residues pruned to eliminate duplicates Z: 32 41.419 2.177 0.956 0.668 0.935 0.677 CB 1.599 32 residues pruned to eliminate duplicates Z: 79 56.125 2.179 0.894 0.586 0.949 0.718 CB 1.494 79 residues pruned to eliminate duplicates Z: 13 13.076 1.818 0.424 0.855 0.833 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 16 29.246 2.159 0.548 0.890 1.000 0.867 CA 1.626 16 residues pruned to eliminate duplicates Z: 10 18.959 2.037 0.742 0.853 1.000 0.556 CA 1.316 10 residues pruned to eliminate duplicates Z: 23 27.166 1.937 0.985 0.652 0.909 0.727 CB 1.438 22 residues pruned to eliminate duplicates Z: 12 8.746 1.637 0.664 0.509 0.818 0.636 CB 1.173 12 residues pruned to eliminate duplicates Z: 22 39.099 2.175 1.075 0.716 0.952 0.810 CB 1.631 22 residues pruned to eliminate duplicates Z: 14 7.753 1.668 0.716 0.394 0.769 0.538 CB 1.092 14 residues pruned to eliminate duplicates Z: 11 18.123 1.898 0.558 0.841 1.000 0.600 CA 1.446 11 residues pruned to eliminate duplicates Z: 22 25.296 1.884 1.011 0.610 0.952 0.619 CA 1.378 21 residues pruned to eliminate duplicates Z: 13 11.634 1.771 0.808 0.556 0.833 0.833 CB 1.192 13 residues pruned to eliminate duplicates Z: 23 18.830 1.809 0.785 0.610 0.864 0.545 CB 1.297 23 residues pruned to eliminate duplicates Z: 15 33.480 2.309 1.004 0.795 0.929 0.714 CB 1.608 15 residues pruned to eliminate duplicates Z: 85 51.888 2.124 0.870 0.552 0.940 0.655 CB 1.441 85 residues pruned to eliminate duplicates Z: 40 32.511 2.092 0.876 0.474 0.897 0.692 CB 1.517 40 residues pruned to eliminate duplicates Z: 34 34.197 2.090 0.993 0.558 0.939 0.636 CB 1.438 34 residues pruned to eliminate duplicates Z: 97 62.115 2.150 0.913 0.591 0.927 0.625 CB 1.523 97 residues pruned to eliminate duplicates Z: 19 30.950 2.236 0.867 0.717 0.944 0.833 CB 1.521 19 residues pruned to eliminate duplicates Z: 19 13.656 2.043 0.355 0.461 1.000 0.667 CB 1.209 20 residues pruned to eliminate duplicates Z: 12 15.794 2.194 0.756 0.422 0.909 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 9 16.199 2.008 0.596 0.843 0.875 0.500 CA 1.520 9 residues pruned to eliminate duplicates Z: 15 32.563 2.095 0.898 0.893 1.000 0.714 CB 1.571 15 residues pruned to eliminate duplicates Z: 21 10.514 1.920 0.402 0.500 0.750 0.450 CB 1.165 21 residues pruned to eliminate duplicates Z: 46 45.547 2.159 1.083 0.643 0.911 0.644 CB 1.450 46 residues pruned to eliminate duplicates Z: 85 58.904 2.153 0.941 0.590 0.952 0.714 CB 1.482 85 residues pruned to eliminate duplicates Z: 11 8.934 1.595 0.526 0.581 1.000 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 21 28.928 2.036 1.326 0.598 0.900 0.650 CB 1.382 21 residues pruned to eliminate duplicates Z: 11 11.228 1.835 0.450 0.610 0.900 0.600 CB 1.335 11 residues pruned to eliminate duplicates Z: 87 58.545 2.119 0.933 0.598 0.930 0.674 CB 1.509 83 residues pruned to eliminate duplicates Z: 15 22.836 2.132 0.542 0.823 0.929 0.786 CB 1.511 15 residues pruned to eliminate duplicates Z: 16 17.293 2.010 1.059 0.423 0.867 0.533 CB 1.349 16 residues pruned to eliminate duplicates Z: 17 26.210 2.108 0.858 0.833 0.875 0.750 CB 1.434 17 residues pruned to eliminate duplicates Z: 51 39.818 2.142 0.789 0.603 0.940 0.700 CB 1.417 56 residues pruned to eliminate duplicates Z: 8 7.893 1.672 0.417 0.396 1.000 0.429 CA 1.405 8 residues pruned to eliminate duplicates Z: 17 15.093 1.944 0.977 0.484 0.812 0.438 CB 1.228 17 residues pruned to eliminate duplicates Z: 8 6.435 1.551 0.513 0.418 1.000 0.571 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 28.328 1.982 1.436 0.768 1.000 0.900 CA 1.463 11 residues pruned to eliminate duplicates Z: 31 41.226 2.142 1.023 0.624 0.933 0.667 CB 1.656 31 residues pruned to eliminate duplicates Z: 132 71.647 2.147 0.934 0.596 0.908 0.695 CB 1.514 132 residues pruned to eliminate duplicates Z: 82 54.891 2.146 0.878 0.574 0.951 0.617 CB 1.482 82 residues pruned to eliminate duplicates Z: 14 29.439 2.233 1.055 0.582 1.000 0.692 CB 1.644 17 residues pruned to eliminate duplicates Z: 11 7.457 1.670 0.586 0.402 0.800 0.500 CB 1.234 11 residues pruned to eliminate duplicates Z: 87 52.186 2.112 0.838 0.571 0.930 0.686 CB 1.455 87 residues pruned to eliminate duplicates Z: 32 19.492 1.963 0.538 0.517 0.903 0.581 CB 1.262 32 residues pruned to eliminate duplicates Z: 47 39.078 2.094 0.826 0.648 0.913 0.696 CB 1.438 51 residues pruned to eliminate duplicates Z: 47 48.694 2.233 1.091 0.581 0.913 0.739 CB 1.558 47 residues pruned to eliminate duplicates Z: 15 13.901 1.808 0.796 0.516 0.857 0.643 CB 1.314 15 residues pruned to eliminate duplicates Z: 22 21.057 1.897 0.857 0.604 0.857 0.714 CB 1.379 22 residues pruned to eliminate duplicates Z: 12 16.409 1.805 0.863 0.847 0.909 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 7 8.407 1.896 0.025 0.827 1.000 0.667 C 1.331 7 residues pruned to eliminate duplicates Z: 19 15.165 1.836 0.958 0.471 0.833 0.611 CB 1.229 8 residues pruned to eliminate duplicates Z: 33 32.745 2.079 0.792 0.536 0.969 0.656 CB 1.548 34 residues pruned to eliminate duplicates Z: 6 9.534 1.946 0.377 0.830 1.000 0.800 CB 1.196 6 residues pruned to eliminate duplicates Z: 90 66.048 2.188 1.035 0.590 0.955 0.640 CB 1.510 90 residues pruned to eliminate duplicates Z: 14 22.168 1.933 1.179 0.573 0.923 0.615 C 1.474 14 residues pruned to eliminate duplicates Z: 17 33.697 2.155 0.946 0.811 1.000 0.750 CB 1.532 17 residues pruned to eliminate duplicates Z: 130 68.818 2.146 0.913 0.595 0.907 0.682 CB 1.486 130 residues pruned to eliminate duplicates Z: 48 30.644 1.990 0.660 0.603 0.894 0.660 CB 1.373 48 residues pruned to eliminate duplicates Z: 12 21.894 1.915 1.059 0.692 0.909 0.818 CA 1.544 12 residues pruned to eliminate duplicates Z: 54 40.468 2.136 0.905 0.548 0.906 0.642 CB 1.439 54 residues pruned to eliminate duplicates Z: 36 39.628 2.171 0.937 0.609 0.971 0.800 CB 1.479 36 residues pruned to eliminate duplicates Z: 25 21.632 1.880 0.799 0.583 0.958 0.542 CB 1.259 25 residues pruned to eliminate duplicates Z: 47 50.841 2.207 0.999 0.599 0.957 0.674 CB 1.617 47 residues pruned to eliminate duplicates Z: 13 8.346 1.536 0.245 0.540 1.000 0.750 CB 1.211 12 residues pruned to eliminate duplicates Z: 23 28.202 1.916 1.102 0.605 0.955 0.773 CB 1.415 23 residues pruned to eliminate duplicates Z: 20 15.989 1.828 0.875 0.450 0.895 0.526 CB 1.259 14 residues pruned to eliminate duplicates Z: 12 15.768 1.888 0.522 0.861 0.909 0.727 CB 1.338 12 residues pruned to eliminate duplicates Z: 33 41.730 2.160 0.984 0.572 1.000 0.688 CB 1.607 33 residues pruned to eliminate duplicates Z: 10 13.381 1.892 0.412 0.888 1.000 0.778 CB 1.202 10 residues pruned to eliminate duplicates Z: 24 18.807 1.805 0.738 0.597 0.913 0.696 CB 1.248 24 residues pruned to eliminate duplicates Z: 19 16.625 1.791 0.790 0.566 0.833 0.667 CB 1.376 19 residues pruned to eliminate duplicates Z: 10 11.761 1.808 0.431 0.647 1.000 0.556 CB 1.321 10 residues pruned to eliminate duplicates Z: 18 19.000 2.027 0.679 0.445 0.941 0.647 CB 1.524 18 residues pruned to eliminate duplicates Z: 7 13.328 1.916 0.508 0.824 1.000 0.833 CA 1.422 7 residues pruned to eliminate duplicates Z: 18 18.988 1.809 0.829 0.607 1.000 0.765 CB 1.257 18 residues pruned to eliminate duplicates Z: 17 32.054 2.151 0.852 0.826 0.938 0.688 CB 1.619 17 residues pruned to eliminate duplicates Z: 72 50.084 2.102 0.964 0.512 0.915 0.704 CB 1.554 43 residues pruned to eliminate duplicates Z: 6 3.110 1.629 0.298 0.454 0.800 0.400 CB 0.862 Z: 6 2.117 1.255 0.399 0.451 0.800 0.400 CB 0.708 Z: 32 21.613 1.845 0.865 0.540 0.871 0.613 CB 1.245 32 residues pruned to eliminate duplicates Z: 11 16.872 1.920 0.634 0.820 1.000 0.500 CB 1.289 11 residues pruned to eliminate duplicates Z: 10 11.288 1.786 0.445 0.702 1.000 0.889 CB 1.213 7 residues pruned to eliminate duplicates Z: 12 14.324 1.831 0.611 0.831 0.909 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 20 30.432 2.087 0.942 0.745 0.842 0.579 CB 1.643 20 residues pruned to eliminate duplicates Z: 54 43.535 2.088 1.061 0.538 0.943 0.660 CB 1.419 54 residues pruned to eliminate duplicates Z: 36 36.872 2.053 1.099 0.534 0.943 0.771 CB 1.483 36 residues pruned to eliminate duplicates Z: 75 47.000 2.128 0.811 0.583 0.905 0.676 CB 1.447 75 residues pruned to eliminate duplicates 6 1.535 0.908 0.148 0.786 1.000 0.800 CB 0.512 ? Z: 50 28.118 2.008 0.657 0.569 0.857 0.694 CB 1.317 50 residues pruned to eliminate duplicates Z: 28 26.310 2.014 1.018 0.509 0.889 0.519 CB 1.389 28 residues pruned to eliminate duplicates Z: 10 7.647 1.776 0.218 0.706 0.889 0.778 CB 1.100 10 residues pruned to eliminate duplicates Z: 11 16.094 1.946 0.688 0.863 0.900 0.900 CB 1.263 11 residues pruned to eliminate duplicates Z: 74 62.518 2.181 1.107 0.591 0.932 0.658 CB 1.567 74 residues pruned to eliminate duplicates Z: 47 41.454 2.067 0.984 0.538 0.935 0.739 CB 1.536 47 residues pruned to eliminate duplicates Z: 8 7.169 1.544 0.723 0.680 0.714 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 7 4.141 1.648 0.139 0.652 0.833 0.500 CB 0.938 7 residues pruned to eliminate duplicates Z: 63 60.490 2.188 1.143 0.587 0.952 0.645 CB 1.583 63 residues pruned to eliminate duplicates Z: 10 7.795 1.692 0.721 0.415 0.889 0.778 CB 1.097 10 residues pruned to eliminate duplicates Z: 78 37.951 2.060 0.599 0.561 0.935 0.571 CB 1.323 74 residues pruned to eliminate duplicates Z: 6 2.036 1.529 0.721 0.298 0.600 0.400 CA 0.723 Z: 40 34.374 2.048 0.991 0.520 0.923 0.641 CB 1.435 34 residues pruned to eliminate duplicates Z: 16 15.159 1.955 0.795 0.471 0.867 0.667 CB 1.326 16 residues pruned to eliminate duplicates 8 1.957 1.589 0.132 0.351 0.714 0.571 CB 0.676 ? Z: 14 13.356 2.086 0.556 0.558 0.923 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 82 51.893 2.108 0.837 0.589 0.938 0.691 CB 1.457 76 residues pruned to eliminate duplicates Z: 7 7.406 1.915 0.259 0.296 1.000 0.333 CB 1.575 7 residues pruned to eliminate duplicates Z: 21 24.183 1.888 0.922 0.667 0.900 0.750 CB 1.419 21 residues pruned to eliminate duplicates Z: 32 28.569 2.058 0.858 0.526 0.839 0.645 CB 1.560 32 residues pruned to eliminate duplicates Z: 27 10.671 1.710 0.568 0.383 0.885 0.577 CB 1.000 27 residues pruned to eliminate duplicates Z: 11 26.961 1.938 1.458 0.769 0.900 0.800 CA 1.566 12 residues pruned to eliminate duplicates Z: 36 32.273 2.093 0.929 0.503 0.857 0.686 CB 1.571 36 residues pruned to eliminate duplicates Z: 17 31.069 2.166 0.716 0.776 1.000 0.688 CA 1.638 17 residues pruned to eliminate duplicates Z: 12 5.896 1.560 0.583 0.381 0.818 0.455 CB 0.998 Z: 33 45.830 2.176 1.007 0.702 1.000 0.719 CB 1.543 33 residues pruned to eliminate duplicates Z: 9 3.733 1.127 0.783 0.426 0.750 0.500 C 0.945 Z: 6 2.369 1.183 0.563 0.420 0.800 0.400 CB 0.778 Z: 14 14.057 1.878 0.860 0.650 0.923 0.692 CB 1.052 Z: 60 44.874 2.151 0.761 0.605 0.932 0.576 CB 1.498 60 residues pruned to eliminate duplicates Z: 12 22.097 1.970 0.979 0.625 1.000 0.818 CA 1.519 12 residues pruned to eliminate duplicates Z: 10 10.612 1.727 0.666 0.479 0.889 0.667 CA 1.414 10 residues pruned to eliminate duplicates Z: 10 11.371 1.685 0.699 0.589 1.000 0.778 CB 1.216 10 residues pruned to eliminate duplicates Z: 27 19.443 1.983 0.594 0.501 0.962 0.577 CB 1.254 27 residues pruned to eliminate duplicates Z: 31 37.396 2.160 0.772 0.691 0.933 0.667 CB 1.604 31 residues pruned to eliminate duplicates Z: 12 3.880 1.568 0.173 0.177 0.909 0.455 CB 1.034 12 residues pruned to eliminate duplicates Z: 6 5.352 1.489 0.748 0.509 0.800 0.800 C 1.140 6 residues pruned to eliminate duplicates Z: 18 15.720 1.773 0.816 0.570 0.882 0.765 CA 1.253 18 residues pruned to eliminate duplicates Z: 25 27.758 2.035 0.646 0.704 0.958 0.750 CB 1.467 25 residues pruned to eliminate duplicates Z: 19 11.017 1.733 0.412 0.386 1.000 0.444 CB 1.197 19 residues pruned to eliminate duplicates Z: 9 15.818 2.074 0.649 0.611 1.000 0.875 CB 1.472 9 residues pruned to eliminate duplicates Z: 11 8.023 1.827 0.279 0.585 1.000 0.800 CB 1.001 11 residues pruned to eliminate duplicates Z: 15 30.672 2.239 0.871 0.828 1.000 0.714 CB 1.473 29 residues pruned to eliminate duplicates Z: 16 23.194 2.024 0.531 0.875 1.000 0.933 CA 1.405 16 residues pruned to eliminate duplicates Z: 6 14.405 1.979 0.569 0.815 1.000 0.800 C 1.579 6 residues pruned to eliminate duplicates Z: 15 28.820 2.131 1.170 0.578 0.929 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 12 13.514 1.777 0.449 0.812 1.000 0.909 CB 1.207 12 residues pruned to eliminate duplicates Z: 15 32.232 2.257 0.797 0.857 0.929 0.929 CA 1.686 15 residues pruned to eliminate duplicates Z: 36 31.088 2.129 0.735 0.586 0.943 0.714 CB 1.390 36 residues pruned to eliminate duplicates Z: 49 40.342 2.110 0.757 0.639 0.938 0.562 CB 1.470 49 residues pruned to eliminate duplicates Z: 15 29.709 2.082 0.944 0.877 1.000 0.786 CA 1.425 15 residues pruned to eliminate duplicates Z: 10 5.587 1.514 0.436 0.494 0.889 0.556 CB 0.970 10 residues pruned to eliminate duplicates Z: 47 51.942 2.184 1.018 0.627 0.957 0.587 CB 1.612 47 residues pruned to eliminate duplicates Z: 15 19.831 2.070 0.837 0.642 1.000 0.786 CB 1.221 15 residues pruned to eliminate duplicates Z: 13 17.596 1.834 0.603 0.823 0.917 0.750 CB 1.424 13 residues pruned to eliminate duplicates Z: 77 52.351 2.167 0.767 0.600 0.947 0.724 CB 1.505 77 residues pruned to eliminate duplicates Z: 22 12.165 1.729 0.669 0.383 0.810 0.476 CB 1.287 22 residues pruned to eliminate duplicates Z: 19 28.627 2.048 0.795 0.773 0.944 0.722 CB 1.527 19 residues pruned to eliminate duplicates Z: 12 8.451 1.852 0.046 0.850 0.909 0.727 CB 1.072 12 residues pruned to eliminate duplicates Z: 26 27.660 2.061 0.762 0.646 0.960 0.720 CB 1.384 26 residues pruned to eliminate duplicates Z: 47 37.844 2.178 0.809 0.505 0.891 0.696 CB 1.582 47 residues pruned to eliminate duplicates Z: 25 19.465 2.086 0.756 0.457 0.958 0.667 CB 1.183 25 residues pruned to eliminate duplicates Z: 10 25.273 2.445 0.876 0.684 1.000 0.889 CB 1.551 10 residues pruned to eliminate duplicates Z: 27 21.631 2.033 0.677 0.549 0.885 0.731 CB 1.341 27 residues pruned to eliminate duplicates Z: 24 18.925 1.796 0.893 0.580 0.826 0.652 CA 1.301 24 residues pruned to eliminate duplicates Z: 21 18.260 1.953 0.620 0.538 0.900 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 45 39.817 2.192 0.761 0.585 0.932 0.727 CB 1.538 45 residues pruned to eliminate duplicates Z: 24 22.495 1.982 1.043 0.446 0.870 0.565 CB 1.408 24 residues pruned to eliminate duplicates Z: 46 52.895 2.237 1.056 0.622 0.956 0.733 CB 1.599 46 residues pruned to eliminate duplicates Z: 24 23.931 2.150 0.682 0.513 0.957 0.609 CB 1.425 24 residues pruned to eliminate duplicates Z: 7 4.316 1.433 0.278 0.468 1.000 0.333 CB 0.993 Z: 11 25.156 2.043 1.393 0.746 0.900 0.900 CA 1.451 11 residues pruned to eliminate duplicates Z: 32 34.577 2.020 1.190 0.545 0.935 0.806 CB 1.436 32 residues pruned to eliminate duplicates Z: 16 21.342 2.112 0.678 0.649 0.867 0.733 CB 1.563 16 residues pruned to eliminate duplicates Z: 17 21.212 2.100 0.527 0.671 0.938 0.562 CA 1.505 17 residues pruned to eliminate duplicates Z: 14 12.149 1.943 0.520 0.507 0.923 0.538 CB 1.228 14 residues pruned to eliminate duplicates Z: 11 14.720 2.175 0.725 0.484 0.900 0.800 CA 1.402 11 residues pruned to eliminate duplicates Z: 27 25.032 2.116 1.040 0.472 0.808 0.615 CB 1.449 27 residues pruned to eliminate duplicates Z: 23 23.186 2.130 0.558 0.595 0.955 0.682 CB 1.425 23 residues pruned to eliminate duplicates Z: 6 2.203 1.333 0.766 0.291 0.800 0.200 CB 0.661 Z: 18 20.684 1.848 0.954 0.536 0.882 0.706 CA 1.520 18 residues pruned to eliminate duplicates Z: 10 26.919 2.115 1.321 0.677 0.889 0.778 CA 1.747 10 residues pruned to eliminate duplicates Z: 15 19.221 2.115 0.545 0.568 1.000 0.643 CB 1.473 15 residues pruned to eliminate duplicates Z: 13 5.540 1.621 0.445 0.392 0.750 0.333 CA 1.021 13 residues pruned to eliminate duplicates Z: 90 52.896 2.114 0.938 0.506 0.899 0.652 CB 1.513 90 residues pruned to eliminate duplicates Z: 11 18.900 1.892 1.253 0.668 0.900 0.800 CB 1.334 10 residues pruned to eliminate duplicates Z: 19 36.009 2.109 0.974 0.789 1.000 0.667 CA 1.581 19 residues pruned to eliminate duplicates Z: 13 25.362 2.159 0.965 0.600 1.000 0.833 CA 1.569 13 residues pruned to eliminate duplicates Z: 12 12.350 1.887 0.203 0.762 0.909 0.727 CB 1.430 Z: 6 2.295 1.129 0.096 0.618 1.000 0.800 CB 0.742 Z: 44 50.474 2.242 1.064 0.624 0.907 0.651 CB 1.633 44 residues pruned to eliminate duplicates Z: 30 39.683 2.194 0.907 0.689 0.966 0.724 CB 1.535 42 residues pruned to eliminate duplicates Z: 27 19.076 2.089 0.639 0.532 0.846 0.577 CB 1.251 27 residues pruned to eliminate duplicates Z: 12 16.590 2.045 0.674 0.506 1.000 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 63 37.657 2.051 0.888 0.484 0.887 0.694 CB 1.415 63 residues pruned to eliminate duplicates Z: 16 25.387 2.152 0.486 0.882 1.000 0.800 CA 1.483 16 residues pruned to eliminate duplicates Z: 26 19.486 1.899 0.681 0.548 0.800 0.600 CB 1.456 24 residues pruned to eliminate duplicates Z: 65 42.798 2.093 0.918 0.528 0.922 0.625 CB 1.406 65 residues pruned to eliminate duplicates Z: 9 7.228 1.846 0.875 0.467 0.750 0.625 CB 1.018 6 residues pruned to eliminate duplicates Z: 6 4.523 1.743 0.814 0.474 0.600 0.600 CA 1.094 6 residues pruned to eliminate duplicates 6 1.250 1.545 -0.187 0.120 1.000 0.600 CA 0.718 ? 366 residues left after pruning, divided into chains as follows: A: 23 B: 8 C: 8 D: 170 E: 124 F: 33 CC for partial structure against native data = 41.90 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.464, Connect. = 0.692 for dens.mod. cycle 1 = 0.300, Contrast = 0.547, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.658, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.670, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.683, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.687, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.691, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.692, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.694, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.694, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2792 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 619 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 38.742 2.287 1.018 0.835 0.882 0.765 CA 1.729 B: 15 41.559 2.308 1.026 0.887 1.000 0.857 CB 1.713 C: 15 32.481 2.257 0.798 0.877 1.000 0.714 CB 1.553 15 residues pruned to eliminate duplicates D: 18 24.063 2.286 0.640 0.490 0.941 0.706 CB 1.671 E: 19 29.645 2.178 0.676 0.755 0.889 0.556 C 1.715 19 residues pruned to eliminate duplicates F: 27 20.790 2.137 0.495 0.500 0.846 0.577 CB 1.508 10 residues pruned to eliminate duplicates G: 17 41.938 2.313 0.940 0.823 1.000 0.812 CA 1.766 17 residues pruned to eliminate duplicates H: 19 17.273 2.150 0.397 0.501 0.889 0.667 CB 1.522 19 residues pruned to eliminate duplicates I: 110 55.041 2.183 0.772 0.535 0.890 0.642 CB 1.480 7 residues pruned to eliminate duplicates J: 80 65.715 2.258 0.948 0.568 0.962 0.696 CB 1.636 K: 20 37.567 2.108 1.068 0.766 0.895 0.579 CA 1.746 19 residues pruned to eliminate duplicates L: 17 45.797 2.392 1.102 0.801 0.938 0.500 CB 1.866 18 residues pruned to eliminate duplicates M: 16 39.248 2.360 0.847 0.809 1.000 0.600 CA 1.777 17 residues pruned to eliminate duplicates N: 16 33.786 2.225 0.922 0.802 1.000 0.600 CB 1.567 16 residues pruned to eliminate duplicates O: 16 31.141 2.144 0.869 0.886 0.933 0.533 CB 1.552 16 residues pruned to eliminate duplicates P: 16 36.738 2.347 0.921 0.758 1.000 0.533 CA 1.674 16 residues pruned to eliminate duplicates Q: 80 65.815 2.260 1.018 0.570 0.924 0.709 CB 1.643 80 residues pruned to eliminate duplicates R: 15 32.560 2.288 0.686 0.874 1.000 0.786 CB 1.642 15 residues pruned to eliminate duplicates S: 31 29.427 2.307 0.665 0.515 0.900 0.600 CB 1.531 31 residues pruned to eliminate duplicates T: 16 38.936 2.177 0.888 0.899 1.000 0.933 CB 1.747 16 residues pruned to eliminate duplicates U: 37 29.527 2.057 0.647 0.479 0.944 0.528 CB 1.571 V: 16 28.400 2.214 0.500 0.880 1.000 0.867 CA 1.600 16 residues pruned to eliminate duplicates W: 131 72.179 2.205 0.866 0.576 0.923 0.638 CB 1.550 95 residues pruned to eliminate duplicates X: 16 28.773 2.250 0.510 0.835 1.000 0.733 CA 1.638 16 residues pruned to eliminate duplicates Y: 16 29.696 2.172 0.788 0.890 0.867 0.867 CB 1.638 16 residues pruned to eliminate duplicates Z: 17 31.574 2.240 0.708 0.754 0.938 0.688 CA 1.755 17 residues pruned to eliminate duplicates Z: 15 17.378 2.078 0.414 0.390 1.000 0.571 CA 1.776 15 residues pruned to eliminate duplicates Z: 48 58.307 2.341 1.112 0.598 0.915 0.638 CB 1.713 33 residues pruned to eliminate duplicates Z: 40 39.730 2.171 0.836 0.514 0.974 0.692 CB 1.615 40 residues pruned to eliminate duplicates Z: 17 38.890 2.175 1.231 0.784 0.875 0.562 CA 1.784 17 residues pruned to eliminate duplicates Z: 79 63.777 2.269 0.962 0.560 0.936 0.731 CB 1.635 79 residues pruned to eliminate duplicates Z: 15 25.724 2.291 0.337 0.895 0.929 0.929 CB 1.734 15 residues pruned to eliminate duplicates Z: 32 33.201 2.189 0.638 0.533 0.935 0.548 CB 1.720 36 residues pruned to eliminate duplicates Z: 15 34.032 2.320 0.691 0.890 0.929 0.929 CB 1.795 15 residues pruned to eliminate duplicates Z: 83 60.798 2.221 0.948 0.593 0.915 0.707 CB 1.553 85 residues pruned to eliminate duplicates Z: 15 37.345 2.290 0.957 0.887 0.929 0.857 CA 1.729 15 residues pruned to eliminate duplicates Z: 20 30.818 2.165 0.590 0.794 0.947 0.632 CB 1.675 20 residues pruned to eliminate duplicates Z: 17 44.192 2.413 0.970 0.772 1.000 0.688 CA 1.828 19 residues pruned to eliminate duplicates Z: 28 24.705 2.062 0.535 0.499 0.889 0.444 CB 1.692 28 residues pruned to eliminate duplicates Z: 32 32.409 2.191 0.668 0.512 0.935 0.581 CB 1.682 32 residues pruned to eliminate duplicates Z: 17 42.497 2.419 0.895 0.829 1.000 0.750 CA 1.744 17 residues pruned to eliminate duplicates Z: 6 11.140 1.632 0.824 0.755 1.000 0.600 C 1.334 6 residues pruned to eliminate duplicates Z: 21 26.650 1.975 0.841 0.659 0.950 0.750 CA 1.488 Z: 11 23.773 2.013 0.905 0.881 1.000 0.800 CA 1.419 11 residues pruned to eliminate duplicates Z: 17 32.495 2.386 0.557 0.859 0.875 0.688 CA 1.840 17 residues pruned to eliminate duplicates Z: 46 52.285 2.247 0.995 0.599 0.956 0.644 CB 1.655 46 residues pruned to eliminate duplicates Z: 17 22.185 2.021 0.528 0.798 0.938 0.750 CA 1.476 17 residues pruned to eliminate duplicates Z: 37 37.371 2.157 1.022 0.524 0.944 0.639 CB 1.477 37 residues pruned to eliminate duplicates Z: 45 48.681 2.236 1.034 0.628 0.886 0.705 CB 1.614 45 residues pruned to eliminate duplicates Z: 18 26.620 2.319 0.877 0.520 0.941 0.765 CB 1.545 19 residues pruned to eliminate duplicates Z: 16 33.426 2.244 0.782 0.823 1.000 0.667 CA 1.631 16 residues pruned to eliminate duplicates Z: 34 26.808 2.236 0.596 0.481 0.909 0.455 CB 1.465 33 residues pruned to eliminate duplicates Z: 15 37.974 2.284 0.884 0.899 1.000 0.643 CB 1.686 15 residues pruned to eliminate duplicates Z: 84 63.121 2.266 0.824 0.600 0.940 0.663 CB 1.622 84 residues pruned to eliminate duplicates Z: 15 36.166 2.252 0.969 0.882 1.000 0.500 CB 1.577 15 residues pruned to eliminate duplicates Z: 128 83.644 2.277 0.914 0.599 0.953 0.717 CB 1.626 126 residues pruned to eliminate duplicates Z: 31 42.966 2.205 0.999 0.642 0.967 0.667 CB 1.613 31 residues pruned to eliminate duplicates Z: 47 52.725 2.310 0.964 0.587 0.913 0.717 CB 1.727 47 residues pruned to eliminate duplicates Z: 23 27.852 2.170 0.599 0.581 0.909 0.500 CB 1.740 23 residues pruned to eliminate duplicates Z: 16 27.847 2.183 0.627 0.829 0.933 0.733 CA 1.633 16 residues pruned to eliminate duplicates Z: 33 36.918 2.166 0.650 0.545 1.000 0.594 CB 1.747 33 residues pruned to eliminate duplicates Z: 18 34.552 2.265 0.785 0.798 0.941 0.824 CA 1.697 18 residues pruned to eliminate duplicates Z: 134 80.041 2.259 0.865 0.604 0.925 0.684 CB 1.613 135 residues pruned to eliminate duplicates Z: 16 26.438 2.233 0.526 0.803 0.867 0.667 CA 1.773 16 residues pruned to eliminate duplicates Z: 46 51.971 2.258 1.026 0.588 0.933 0.667 CB 1.669 46 residues pruned to eliminate duplicates Z: 17 26.747 2.218 0.572 0.759 0.938 0.750 CA 1.624 17 residues pruned to eliminate duplicates Z: 89 66.209 2.250 0.942 0.543 0.920 0.682 CB 1.683 89 residues pruned to eliminate duplicates Z: 80 60.053 2.218 0.904 0.591 0.924 0.671 CB 1.588 80 residues pruned to eliminate duplicates Z: 98 64.225 2.235 0.823 0.570 0.948 0.649 CB 1.577 99 residues pruned to eliminate duplicates Z: 45 58.862 2.346 1.046 0.635 0.955 0.682 CB 1.707 45 residues pruned to eliminate duplicates Z: 88 50.388 2.190 0.706 0.561 0.920 0.586 CB 1.483 88 residues pruned to eliminate duplicates Z: 126 79.245 2.276 0.905 0.598 0.912 0.672 CB 1.633 126 residues pruned to eliminate duplicates Z: 18 38.345 2.234 0.861 0.836 0.941 0.588 CB 1.778 18 residues pruned to eliminate duplicates Z: 80 65.778 2.260 0.873 0.617 0.962 0.646 CB 1.627 80 residues pruned to eliminate duplicates Z: 48 50.900 2.350 0.913 0.590 0.872 0.660 CB 1.736 48 residues pruned to eliminate duplicates Z: 8 10.932 1.880 0.276 0.803 1.000 0.857 CA 1.323 8 residues pruned to eliminate duplicates Z: 23 22.649 2.236 0.423 0.507 1.000 0.545 CB 1.507 23 residues pruned to eliminate duplicates Z: 11 16.080 2.192 0.511 0.820 0.800 0.600 CA 1.454 11 residues pruned to eliminate duplicates Z: 33 20.029 2.037 0.527 0.494 0.844 0.469 CB 1.357 33 residues pruned to eliminate duplicates Z: 17 17.132 2.202 0.539 0.437 0.938 0.688 CB 1.438 17 residues pruned to eliminate duplicates Z: 16 31.708 2.242 0.764 0.841 0.933 0.933 CB 1.654 18 residues pruned to eliminate duplicates Z: 36 38.017 2.103 1.153 0.509 0.914 0.629 CB 1.539 36 residues pruned to eliminate duplicates Z: 33 33.767 2.328 0.591 0.539 0.938 0.594 CB 1.655 34 residues pruned to eliminate duplicates Z: 12 10.466 2.035 0.554 0.354 0.818 0.273 CB 1.428 12 residues pruned to eliminate duplicates Z: 11 15.223 1.948 0.363 0.888 0.900 0.400 CA 1.452 11 residues pruned to eliminate duplicates Z: 15 29.847 2.144 0.716 0.851 1.000 0.714 CB 1.605 15 residues pruned to eliminate duplicates Z: 32 33.143 2.170 0.639 0.538 0.968 0.645 CB 1.666 32 residues pruned to eliminate duplicates Z: 32 38.462 2.206 0.931 0.568 0.903 0.677 CB 1.681 32 residues pruned to eliminate duplicates Z: 13 20.326 2.082 1.223 0.420 0.917 0.667 CB 1.504 13 residues pruned to eliminate duplicates Z: 19 13.073 2.190 0.233 0.478 0.833 0.611 CB 1.401 19 residues pruned to eliminate duplicates Z: 32 43.237 2.238 1.034 0.582 0.935 0.710 CB 1.684 32 residues pruned to eliminate duplicates Z: 86 51.195 2.197 0.756 0.536 0.918 0.624 CB 1.514 86 residues pruned to eliminate duplicates Z: 32 36.853 2.198 0.759 0.510 1.000 0.581 CB 1.696 32 residues pruned to eliminate duplicates Z: 17 16.549 2.089 0.729 0.425 0.875 0.500 CB 1.415 17 residues pruned to eliminate duplicates Z: 14 13.947 1.801 0.301 0.727 1.000 0.769 CA 1.346 14 residues pruned to eliminate duplicates Z: 14 18.107 2.195 0.846 0.408 0.923 0.692 CB 1.479 14 residues pruned to eliminate duplicates Z: 20 26.885 2.056 0.743 0.763 0.947 0.684 CB 1.438 16 residues pruned to eliminate duplicates Z: 14 34.623 2.351 0.707 0.872 1.000 0.923 CB 1.744 14 residues pruned to eliminate duplicates Z: 21 22.495 1.932 0.745 0.667 0.900 0.750 CA 1.420 20 residues pruned to eliminate duplicates Z: 33 29.731 2.083 0.644 0.457 0.938 0.531 CB 1.711 33 residues pruned to eliminate duplicates Z: 10 19.074 2.162 0.710 0.854 0.889 0.556 CB 1.429 10 residues pruned to eliminate duplicates Z: 16 36.079 2.275 1.117 0.608 1.000 0.867 CB 1.746 16 residues pruned to eliminate duplicates Z: 10 21.922 2.074 0.710 0.834 1.000 0.778 CB 1.544 10 residues pruned to eliminate duplicates Z: 22 27.718 1.927 0.990 0.603 1.000 0.762 CA 1.431 22 residues pruned to eliminate duplicates Z: 32 36.747 2.200 0.861 0.562 0.935 0.742 CB 1.622 32 residues pruned to eliminate duplicates Z: 100 62.218 2.188 0.855 0.552 0.960 0.646 CB 1.526 100 residues pruned to eliminate duplicates Z: 10 17.675 2.217 0.355 0.871 0.889 0.778 CB 1.610 10 residues pruned to eliminate duplicates Z: 17 43.621 2.411 0.885 0.805 1.000 0.875 CA 1.838 17 residues pruned to eliminate duplicates Z: 9 19.846 2.108 0.713 0.865 1.000 1.000 CB 1.423 9 residues pruned to eliminate duplicates Z: 11 12.063 2.004 0.340 0.885 0.900 0.600 CB 1.139 11 residues pruned to eliminate duplicates Z: 14 15.257 2.127 0.500 0.367 1.000 0.692 CB 1.529 14 residues pruned to eliminate duplicates Z: 18 24.717 2.044 0.752 0.761 0.882 0.765 CA 1.504 18 residues pruned to eliminate duplicates Z: 17 33.021 2.188 0.869 0.833 0.875 0.750 CA 1.731 17 residues pruned to eliminate duplicates Z: 43 42.533 2.183 0.922 0.550 0.881 0.738 CB 1.691 43 residues pruned to eliminate duplicates Z: 74 36.747 2.090 0.773 0.503 0.836 0.575 CB 1.385 74 residues pruned to eliminate duplicates Z: 12 15.782 1.842 0.536 0.786 0.909 0.818 CB 1.439 12 residues pruned to eliminate duplicates Z: 50 42.450 2.212 0.995 0.508 0.898 0.694 CB 1.518 50 residues pruned to eliminate duplicates Z: 42 37.058 2.150 0.842 0.607 0.878 0.659 CB 1.503 42 residues pruned to eliminate duplicates Z: 16 27.190 2.129 0.465 0.886 1.000 0.933 CA 1.623 16 residues pruned to eliminate duplicates Z: 14 28.267 2.280 0.427 0.839 1.000 0.769 CA 1.800 14 residues pruned to eliminate duplicates Z: 42 41.400 2.191 0.972 0.518 0.927 0.707 CB 1.586 42 residues pruned to eliminate duplicates Z: 15 32.547 2.251 0.724 0.880 1.000 0.929 CB 1.624 15 residues pruned to eliminate duplicates Z: 10 19.051 2.119 0.422 0.903 1.000 0.667 CA 1.502 10 residues pruned to eliminate duplicates Z: 46 59.841 2.332 1.034 0.643 0.956 0.711 CB 1.722 46 residues pruned to eliminate duplicates Z: 47 48.458 2.270 0.942 0.613 0.891 0.717 CB 1.634 47 residues pruned to eliminate duplicates Z: 33 38.761 2.177 0.747 0.539 1.000 0.625 CB 1.735 33 residues pruned to eliminate duplicates Z: 43 66.776 2.362 1.143 0.683 0.976 0.619 CB 1.762 43 residues pruned to eliminate duplicates Z: 44 51.986 2.309 0.976 0.617 0.907 0.744 CB 1.716 44 residues pruned to eliminate duplicates Z: 26 24.730 2.027 0.447 0.578 0.960 0.520 CA 1.630 26 residues pruned to eliminate duplicates Z: 60 64.103 2.325 1.032 0.579 0.949 0.763 CB 1.726 60 residues pruned to eliminate duplicates Z: 9 19.215 2.097 0.689 0.893 1.000 0.875 CB 1.377 9 residues pruned to eliminate duplicates Z: 12 25.771 2.203 1.180 0.630 0.909 0.636 CB 1.575 12 residues pruned to eliminate duplicates Z: 45 52.034 2.262 0.963 0.644 0.955 0.636 CB 1.618 47 residues pruned to eliminate duplicates Z: 45 47.422 2.190 0.945 0.630 0.932 0.682 CB 1.594 45 residues pruned to eliminate duplicates Z: 11 17.857 2.132 0.623 0.882 0.900 0.800 CB 1.312 11 residues pruned to eliminate duplicates Z: 34 22.129 2.037 0.528 0.510 0.848 0.576 CB 1.445 34 residues pruned to eliminate duplicates Z: 6 5.764 1.577 0.258 0.748 1.000 0.800 CA 1.042 6 residues pruned to eliminate duplicates Z: 10 34.607 2.106 1.482 0.825 1.000 0.889 CA 1.665 10 residues pruned to eliminate duplicates Z: 7 7.302 1.577 0.519 0.726 0.833 0.500 CB 1.218 Z: 48 50.134 2.285 0.978 0.575 0.894 0.596 CB 1.684 48 residues pruned to eliminate duplicates Z: 49 55.911 2.341 0.974 0.599 0.938 0.625 CB 1.694 49 residues pruned to eliminate duplicates Z: 80 56.099 2.255 0.700 0.605 0.911 0.671 CB 1.636 80 residues pruned to eliminate duplicates Z: 11 15.037 1.935 0.520 0.824 1.000 0.700 CB 1.221 11 residues pruned to eliminate duplicates Z: 10 18.648 2.168 0.271 0.911 1.000 1.000 CA 1.599 10 residues pruned to eliminate duplicates Z: 82 54.826 2.194 0.823 0.571 0.926 0.728 CB 1.536 92 residues pruned to eliminate duplicates Z: 44 47.205 2.290 0.785 0.585 0.977 0.651 CB 1.662 45 residues pruned to eliminate duplicates Z: 24 23.880 1.865 0.917 0.604 0.913 0.739 CA 1.381 24 residues pruned to eliminate duplicates Z: 41 35.807 2.169 0.689 0.610 0.925 0.650 CB 1.505 35 residues pruned to eliminate duplicates Z: 11 22.016 2.166 0.767 0.775 0.900 0.800 CB 1.586 11 residues pruned to eliminate duplicates Z: 18 30.142 2.209 0.685 0.788 0.941 0.529 CA 1.620 18 residues pruned to eliminate duplicates Z: 10 9.035 1.940 0.449 0.529 0.889 0.444 CB 1.172 10 residues pruned to eliminate duplicates Z: 16 27.194 2.146 0.670 0.805 0.933 0.800 CB 1.608 16 residues pruned to eliminate duplicates Z: 43 49.269 2.308 0.838 0.607 0.929 0.667 CB 1.743 43 residues pruned to eliminate duplicates Z: 12 23.858 2.158 1.163 0.484 0.909 0.727 CB 1.722 12 residues pruned to eliminate duplicates Z: 44 55.584 2.349 0.973 0.644 0.930 0.628 CB 1.719 44 residues pruned to eliminate duplicates Z: 13 20.682 2.097 0.902 0.388 1.000 0.500 CB 1.685 13 residues pruned to eliminate duplicates Z: 15 38.400 2.292 0.914 0.892 1.000 0.786 CB 1.680 15 residues pruned to eliminate duplicates Z: 64 49.054 2.210 0.767 0.619 0.921 0.603 CB 1.536 64 residues pruned to eliminate duplicates Z: 10 17.124 2.101 0.319 0.878 1.000 0.667 CA 1.495 10 residues pruned to eliminate duplicates Z: 46 52.951 2.313 0.878 0.611 0.933 0.622 CB 1.753 46 residues pruned to eliminate duplicates Z: 84 53.984 2.167 0.788 0.597 0.928 0.687 CB 1.504 84 residues pruned to eliminate duplicates Z: 16 23.708 2.123 0.495 0.796 0.933 0.867 CB 1.595 16 residues pruned to eliminate duplicates Z: 131 69.014 2.194 0.796 0.573 0.938 0.723 CB 1.525 131 residues pruned to eliminate duplicates Z: 130 81.279 2.279 0.882 0.611 0.938 0.690 CB 1.601 130 residues pruned to eliminate duplicates Z: 12 19.639 1.932 0.692 0.890 1.000 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 20 11.158 1.993 0.272 0.445 0.895 0.421 CB 1.195 20 residues pruned to eliminate duplicates Z: 22 21.722 1.899 0.823 0.615 0.905 0.714 CB 1.358 22 residues pruned to eliminate duplicates Z: 19 13.128 1.907 0.905 0.361 0.778 0.389 CB 1.271 19 residues pruned to eliminate duplicates Z: 18 14.420 2.042 0.459 0.519 0.882 0.412 CB 1.304 18 residues pruned to eliminate duplicates Z: 12 25.707 2.220 0.939 0.564 1.000 0.727 CB 1.692 12 residues pruned to eliminate duplicates Z: 80 66.595 2.275 0.925 0.573 0.962 0.684 CB 1.656 80 residues pruned to eliminate duplicates Z: 84 58.933 2.234 0.750 0.607 0.940 0.663 CB 1.590 84 residues pruned to eliminate duplicates Z: 61 40.568 2.201 0.641 0.598 0.917 0.633 CB 1.441 61 residues pruned to eliminate duplicates Z: 85 61.301 2.221 0.909 0.595 0.940 0.726 CB 1.531 85 residues pruned to eliminate duplicates Z: 12 18.698 1.999 0.566 0.861 1.000 0.727 CA 1.323 12 residues pruned to eliminate duplicates Z: 39 39.818 2.166 0.955 0.483 0.974 0.632 CB 1.592 39 residues pruned to eliminate duplicates Z: 102 59.394 2.200 0.824 0.582 0.911 0.713 CB 1.495 102 residues pruned to eliminate duplicates Z: 26 17.251 2.216 0.335 0.482 0.840 0.520 CB 1.413 26 residues pruned to eliminate duplicates Z: 10 14.539 2.109 0.161 0.869 1.000 0.778 CB 1.445 10 residues pruned to eliminate duplicates Z: 18 28.257 2.253 0.988 0.525 0.941 0.588 CB 1.586 18 residues pruned to eliminate duplicates Z: 10 27.690 2.111 1.392 0.794 0.889 0.889 CA 1.589 10 residues pruned to eliminate duplicates Z: 25 23.117 2.119 0.483 0.530 0.875 0.542 CB 1.667 25 residues pruned to eliminate duplicates Z: 17 12.281 1.996 0.729 0.390 0.812 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 13 21.466 1.960 1.017 0.689 0.917 0.750 CB 1.437 Z: 33 24.085 2.047 0.573 0.551 0.938 0.531 CB 1.343 33 residues pruned to eliminate duplicates Z: 35 24.170 2.032 0.623 0.557 0.941 0.647 CB 1.264 35 residues pruned to eliminate duplicates Z: 44 65.374 2.360 1.184 0.662 0.953 0.721 CB 1.746 44 residues pruned to eliminate duplicates Z: 25 20.172 1.873 0.758 0.522 0.958 0.583 CB 1.276 13 residues pruned to eliminate duplicates Z: 100 68.027 2.273 0.897 0.560 0.919 0.697 CB 1.627 100 residues pruned to eliminate duplicates Z: 13 17.645 1.872 1.179 0.661 0.917 0.833 CB 1.173 13 residues pruned to eliminate duplicates Z: 79 62.196 2.213 0.975 0.584 0.923 0.731 CB 1.610 79 residues pruned to eliminate duplicates Z: 16 33.302 2.247 0.861 0.815 1.000 0.600 CB 1.564 16 residues pruned to eliminate duplicates Z: 12 15.071 1.941 0.423 0.729 0.909 0.636 CB 1.472 12 residues pruned to eliminate duplicates Z: 84 60.120 2.206 0.870 0.590 0.928 0.602 CB 1.583 83 residues pruned to eliminate duplicates Z: 19 25.891 2.222 0.913 0.444 0.944 0.611 CB 1.610 19 residues pruned to eliminate duplicates Z: 9 22.953 2.218 0.959 0.526 1.000 0.750 CB 1.821 9 residues pruned to eliminate duplicates Z: 38 41.267 2.159 0.968 0.561 0.973 0.676 CB 1.547 38 residues pruned to eliminate duplicates Z: 86 49.766 2.183 0.741 0.544 0.918 0.624 CB 1.483 86 residues pruned to eliminate duplicates Z: 46 52.354 2.315 0.982 0.603 0.911 0.533 CB 1.693 46 residues pruned to eliminate duplicates Z: 72 45.613 2.155 0.818 0.523 0.873 0.690 CB 1.547 72 residues pruned to eliminate duplicates Z: 16 33.519 2.336 0.817 0.766 0.933 0.600 CA 1.725 16 residues pruned to eliminate duplicates Z: 7 15.191 1.964 0.662 0.794 1.000 0.833 CA 1.468 7 residues pruned to eliminate duplicates Z: 11 23.713 2.037 1.016 0.714 1.000 0.900 CA 1.504 11 residues pruned to eliminate duplicates Z: 10 12.946 1.858 0.608 0.614 1.000 0.667 CB 1.296 11 residues pruned to eliminate duplicates Z: 7 9.958 1.888 0.431 0.796 0.833 0.667 CA 1.394 7 residues pruned to eliminate duplicates Z: 46 35.182 2.117 0.685 0.618 0.889 0.600 CB 1.480 46 residues pruned to eliminate duplicates Z: 23 24.409 1.915 0.873 0.620 0.909 0.682 CA 1.424 23 residues pruned to eliminate duplicates Z: 12 15.206 1.916 0.667 0.711 0.909 0.545 CB 1.304 12 residues pruned to eliminate duplicates Z: 31 40.453 2.209 1.182 0.538 0.967 0.700 CB 1.527 31 residues pruned to eliminate duplicates Z: 79 64.408 2.254 0.943 0.564 0.949 0.679 CB 1.649 78 residues pruned to eliminate duplicates Z: 10 12.184 1.922 0.207 0.854 0.889 0.444 CA 1.455 10 residues pruned to eliminate duplicates Z: 86 56.021 2.169 0.838 0.575 0.929 0.682 CB 1.525 86 residues pruned to eliminate duplicates Z: 46 47.516 2.229 0.930 0.596 0.933 0.689 CB 1.609 46 residues pruned to eliminate duplicates Z: 54 44.496 2.163 0.892 0.528 0.943 0.585 CB 1.539 54 residues pruned to eliminate duplicates Z: 19 28.258 2.140 0.531 0.771 0.944 0.722 CB 1.693 19 residues pruned to eliminate duplicates Z: 82 58.412 2.215 0.844 0.602 0.926 0.765 CB 1.558 82 residues pruned to eliminate duplicates Z: 35 22.421 2.212 0.486 0.427 0.824 0.441 CB 1.532 35 residues pruned to eliminate duplicates Z: 11 19.227 1.964 0.615 0.838 1.000 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 87 60.701 2.249 0.821 0.587 0.930 0.698 CB 1.581 87 residues pruned to eliminate duplicates Z: 21 29.246 2.208 0.810 0.578 1.000 0.700 CB 1.518 21 residues pruned to eliminate duplicates Z: 48 48.344 2.231 0.999 0.550 0.915 0.681 CB 1.646 48 residues pruned to eliminate duplicates Z: 10 23.470 2.023 1.203 0.790 0.889 0.778 CA 1.530 10 residues pruned to eliminate duplicates Z: 41 42.786 2.176 0.941 0.609 0.925 0.625 CB 1.562 41 residues pruned to eliminate duplicates Z: 17 40.098 2.284 0.888 0.854 0.938 0.562 CA 1.832 17 residues pruned to eliminate duplicates Z: 16 27.021 2.130 0.570 0.896 0.933 0.867 CB 1.601 16 residues pruned to eliminate duplicates Z: 14 19.682 1.902 0.860 0.684 0.923 0.846 CA 1.412 14 residues pruned to eliminate duplicates Z: 16 36.704 2.332 1.048 0.816 0.867 0.667 CA 1.740 16 residues pruned to eliminate duplicates Z: 16 28.734 2.188 0.606 0.857 0.933 0.867 CA 1.667 16 residues pruned to eliminate duplicates Z: 27 24.208 2.147 0.638 0.581 0.923 0.500 CB 1.354 27 residues pruned to eliminate duplicates Z: 51 55.578 2.300 1.028 0.588 0.920 0.720 CB 1.683 51 residues pruned to eliminate duplicates Z: 10 19.012 2.191 0.929 0.530 0.889 0.778 CB 1.639 10 residues pruned to eliminate duplicates Z: 70 57.026 2.224 0.914 0.584 0.971 0.783 CB 1.532 70 residues pruned to eliminate duplicates Z: 134 85.868 2.271 0.946 0.602 0.932 0.722 CB 1.640 134 residues pruned to eliminate duplicates Z: 21 24.705 1.907 1.053 0.644 0.900 0.700 CA 1.370 21 residues pruned to eliminate duplicates Z: 16 35.987 2.255 0.675 0.870 1.000 0.800 CA 1.795 16 residues pruned to eliminate duplicates Z: 27 22.978 2.103 0.560 0.606 0.923 0.577 CB 1.346 27 residues pruned to eliminate duplicates Z: 128 85.736 2.294 0.885 0.594 0.969 0.630 CB 1.660 128 residues pruned to eliminate duplicates Z: 30 56.375 2.386 1.060 0.688 1.000 0.586 CB 1.792 30 residues pruned to eliminate duplicates Z: 20 27.777 2.123 0.842 0.654 0.947 0.632 CB 1.491 20 residues pruned to eliminate duplicates Z: 26 20.416 2.019 0.498 0.466 0.880 0.520 CB 1.588 26 residues pruned to eliminate duplicates Z: 18 25.547 2.130 0.829 0.773 0.824 0.647 CB 1.518 18 residues pruned to eliminate duplicates Z: 11 13.214 1.824 0.795 0.593 0.900 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 13 17.268 1.889 1.005 0.659 0.917 0.833 CB 1.239 13 residues pruned to eliminate duplicates Z: 30 41.090 2.171 1.055 0.658 0.966 0.793 CB 1.530 30 residues pruned to eliminate duplicates Z: 31 55.413 2.351 0.968 0.704 1.000 0.667 CB 1.816 31 residues pruned to eliminate duplicates Z: 22 18.216 2.115 0.256 0.504 0.905 0.762 CB 1.647 22 residues pruned to eliminate duplicates Z: 64 45.932 2.175 0.714 0.593 0.937 0.619 CB 1.516 64 residues pruned to eliminate duplicates Z: 11 19.030 2.006 0.925 0.554 0.900 0.700 CB 1.643 11 residues pruned to eliminate duplicates Z: 14 14.290 2.047 0.419 0.665 0.923 0.538 CB 1.270 14 residues pruned to eliminate duplicates Z: 12 18.522 1.984 0.575 0.848 0.909 0.727 CB 1.459 12 residues pruned to eliminate duplicates Z: 6 6.942 1.663 0.763 0.609 0.800 0.400 O 1.193 6 residues pruned to eliminate duplicates Z: 8 14.015 2.109 0.923 0.562 0.857 0.714 CB 1.434 8 residues pruned to eliminate duplicates Z: 10 12.029 1.773 0.660 0.634 1.000 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 17 36.709 2.318 0.762 0.801 0.938 0.688 CA 1.843 17 residues pruned to eliminate duplicates Z: 45 53.056 2.363 0.950 0.616 0.909 0.614 CB 1.710 45 residues pruned to eliminate duplicates Z: 11 17.774 1.989 0.563 0.905 1.000 0.700 CB 1.287 11 residues pruned to eliminate duplicates Z: 16 36.038 2.317 0.841 0.868 0.933 0.667 CA 1.709 16 residues pruned to eliminate duplicates Z: 83 60.803 2.247 0.816 0.616 0.927 0.659 CB 1.591 83 residues pruned to eliminate duplicates Z: 11 12.997 2.173 0.249 0.525 0.900 0.600 CA 1.642 11 residues pruned to eliminate duplicates Z: 85 55.388 2.176 0.896 0.550 0.917 0.607 CB 1.522 85 residues pruned to eliminate duplicates Z: 16 21.903 2.049 1.103 0.455 0.867 0.800 CB 1.586 16 residues pruned to eliminate duplicates Z: 17 22.642 2.192 0.298 0.753 0.938 0.688 CA 1.694 17 residues pruned to eliminate duplicates Z: 81 60.346 2.169 1.071 0.588 0.887 0.688 CB 1.555 81 residues pruned to eliminate duplicates Z: 10 12.498 1.883 0.720 0.619 0.778 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 35 22.532 2.161 0.356 0.467 0.941 0.529 CB 1.449 35 residues pruned to eliminate duplicates Z: 15 16.821 1.942 0.376 0.638 1.000 0.643 CA 1.479 15 residues pruned to eliminate duplicates Z: 8 22.166 2.356 0.531 0.809 1.000 0.714 CA 1.773 8 residues pruned to eliminate duplicates Z: 25 24.143 1.995 0.469 0.597 0.958 0.542 CB 1.600 25 residues pruned to eliminate duplicates Z: 18 25.155 2.114 0.615 0.811 0.882 0.647 CA 1.544 18 residues pruned to eliminate duplicates Z: 47 44.309 2.213 0.939 0.516 0.957 0.696 CB 1.566 47 residues pruned to eliminate duplicates Z: 19 20.864 2.188 0.803 0.370 0.889 0.500 CB 1.611 19 residues pruned to eliminate duplicates Z: 10 14.538 2.146 0.794 0.727 0.778 0.333 CB 1.318 10 residues pruned to eliminate duplicates Z: 18 26.824 2.115 0.673 0.797 0.882 0.765 CA 1.606 18 residues pruned to eliminate duplicates Z: 13 19.455 1.897 0.454 0.812 1.000 0.667 CB 1.553 13 residues pruned to eliminate duplicates Z: 6 6.198 1.656 0.594 0.647 0.800 0.800 CA 1.145 6 residues pruned to eliminate duplicates Z: 74 54.943 2.240 0.730 0.605 0.932 0.685 CB 1.612 74 residues pruned to eliminate duplicates Z: 11 18.120 1.995 0.623 0.834 0.900 0.800 CB 1.474 11 residues pruned to eliminate duplicates Z: 18 28.667 2.108 0.684 0.788 1.000 0.588 CA 1.521 18 residues pruned to eliminate duplicates Z: 32 42.374 2.210 1.100 0.567 0.935 0.742 CB 1.642 32 residues pruned to eliminate duplicates Z: 81 56.124 2.231 0.784 0.582 0.925 0.650 CB 1.575 81 residues pruned to eliminate duplicates Z: 33 52.221 2.329 0.968 0.699 0.969 0.719 CB 1.735 33 residues pruned to eliminate duplicates Z: 45 56.577 2.276 1.025 0.648 0.932 0.682 CB 1.730 45 residues pruned to eliminate duplicates Z: 43 19.211 1.904 0.443 0.499 0.857 0.571 CB 1.261 43 residues pruned to eliminate duplicates Z: 132 76.391 2.235 0.876 0.589 0.939 0.672 CB 1.557 132 residues pruned to eliminate duplicates Z: 22 35.842 2.266 0.761 0.726 0.905 0.762 CA 1.768 22 residues pruned to eliminate duplicates Z: 20 17.175 1.991 0.345 0.552 0.895 0.632 CB 1.563 20 residues pruned to eliminate duplicates Z: 11 14.478 1.981 0.337 0.899 0.900 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 46 46.105 2.270 0.776 0.674 0.933 0.644 CB 1.555 46 residues pruned to eliminate duplicates Z: 18 34.097 2.223 0.625 0.791 1.000 0.824 CA 1.773 18 residues pruned to eliminate duplicates Z: 87 53.199 2.216 0.761 0.572 0.907 0.640 CB 1.512 87 residues pruned to eliminate duplicates Z: 9 18.392 2.102 0.741 0.849 0.875 0.625 CA 1.506 9 residues pruned to eliminate duplicates Z: 26 22.122 2.113 0.673 0.495 0.880 0.600 CB 1.429 26 residues pruned to eliminate duplicates Z: 79 61.570 2.271 0.921 0.566 0.936 0.731 CB 1.601 79 residues pruned to eliminate duplicates Z: 17 18.231 2.091 0.462 0.527 0.938 0.750 CB 1.548 17 residues pruned to eliminate duplicates Z: 24 23.820 1.911 0.838 0.616 0.957 0.739 CB 1.325 24 residues pruned to eliminate duplicates Z: 22 18.258 2.134 0.728 0.416 0.762 0.571 CB 1.548 22 residues pruned to eliminate duplicates Z: 10 36.863 2.079 1.450 0.913 1.000 1.000 CA 1.707 10 residues pruned to eliminate duplicates Z: 68 51.831 2.150 1.036 0.567 0.925 0.776 CB 1.465 68 residues pruned to eliminate duplicates Z: 17 27.816 2.141 0.848 0.745 0.875 0.625 CB 1.614 17 residues pruned to eliminate duplicates Z: 16 27.237 2.157 0.702 0.818 0.933 0.867 CA 1.557 16 residues pruned to eliminate duplicates Z: 22 24.340 1.884 1.015 0.641 0.905 0.762 CB 1.355 22 residues pruned to eliminate duplicates Z: 82 59.659 2.230 0.781 0.617 0.951 0.704 CB 1.571 82 residues pruned to eliminate duplicates Z: 29 41.350 2.241 0.837 0.646 0.964 0.607 CB 1.718 29 residues pruned to eliminate duplicates Z: 54 56.268 2.260 1.037 0.581 0.925 0.679 CB 1.680 54 residues pruned to eliminate duplicates Z: 6 5.525 1.550 0.406 0.790 0.800 0.400 CA 1.099 6 residues pruned to eliminate duplicates Z: 33 30.435 2.134 0.674 0.497 0.938 0.625 CB 1.611 33 residues pruned to eliminate duplicates Z: 88 50.019 2.154 0.767 0.548 0.920 0.701 CB 1.462 88 residues pruned to eliminate duplicates Z: 43 51.294 2.254 0.973 0.655 0.952 0.810 CB 1.617 43 residues pruned to eliminate duplicates Z: 17 13.484 2.079 0.671 0.420 0.812 0.562 CB 1.298 17 residues pruned to eliminate duplicates Z: 27 14.074 1.909 0.440 0.405 0.769 0.462 CB 1.442 27 residues pruned to eliminate duplicates Z: 6 3.879 1.564 0.763 0.295 0.800 0.800 CB 0.989 6 residues pruned to eliminate duplicates Z: 24 23.381 1.891 0.907 0.597 0.913 0.696 CB 1.350 23 residues pruned to eliminate duplicates Z: 72 68.298 2.253 1.033 0.616 0.958 0.732 CB 1.656 72 residues pruned to eliminate duplicates Z: 8 6.607 1.846 0.179 0.400 1.000 0.571 CB 1.275 8 residues pruned to eliminate duplicates Z: 13 15.367 1.810 0.585 0.876 0.917 0.750 CA 1.226 13 residues pruned to eliminate duplicates Z: 6 12.563 2.123 0.338 0.825 1.000 0.800 CA 1.493 6 residues pruned to eliminate duplicates Z: 15 14.717 1.687 0.612 0.723 0.929 0.500 CB 1.274 15 residues pruned to eliminate duplicates Z: 12 4.514 1.497 0.610 0.267 0.818 0.182 CB 0.900 12 residues pruned to eliminate duplicates Z: 35 25.668 1.983 0.668 0.545 0.971 0.647 CB 1.312 35 residues pruned to eliminate duplicates Z: 10 21.201 2.020 0.767 0.885 1.000 0.778 CB 1.430 10 residues pruned to eliminate duplicates Z: 14 28.583 2.109 1.295 0.486 1.000 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 11 13.173 2.018 0.476 0.857 0.800 0.500 CA 1.289 11 residues pruned to eliminate duplicates Z: 12 9.834 1.755 0.388 0.613 1.000 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 21 31.560 1.982 1.086 0.726 0.950 0.850 CB 1.466 22 residues pruned to eliminate duplicates Z: 52 45.787 2.248 0.679 0.621 0.961 0.725 CB 1.578 52 residues pruned to eliminate duplicates Z: 6 5.767 1.738 0.587 0.604 0.800 0.800 CB 1.059 Z: 13 3.505 1.570 0.272 0.131 0.667 0.333 C 1.205 13 residues pruned to eliminate duplicates Z: 22 22.073 1.951 0.773 0.656 0.905 0.619 CB 1.332 22 residues pruned to eliminate duplicates Z: 6 3.691 1.524 0.592 0.486 0.600 0.400 N 1.150 Z: 25 21.420 2.276 0.496 0.534 0.792 0.583 CB 1.569 25 residues pruned to eliminate duplicates Z: 44 43.918 2.221 0.882 0.508 0.953 0.767 CB 1.667 44 residues pruned to eliminate duplicates Z: 28 24.073 2.085 0.886 0.471 0.889 0.741 CB 1.365 28 residues pruned to eliminate duplicates Z: 18 18.037 2.105 0.280 0.523 0.941 0.529 CB 1.685 18 residues pruned to eliminate duplicates Z: 6 3.069 1.352 0.734 0.421 0.600 0.400 C 1.059 Z: 90 60.200 2.204 0.775 0.598 0.955 0.640 CB 1.555 90 residues pruned to eliminate duplicates Z: 11 13.077 1.840 0.570 0.562 1.000 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 11 8.379 1.716 0.601 0.510 0.900 0.500 CB 1.061 11 residues pruned to eliminate duplicates Z: 32 47.578 2.291 1.075 0.616 0.903 0.581 CB 1.783 32 residues pruned to eliminate duplicates Z: 15 33.002 2.253 0.711 0.876 1.000 0.929 CA 1.662 15 residues pruned to eliminate duplicates Z: 6 3.603 1.365 0.864 0.539 0.800 0.600 N 0.762 Z: 15 27.781 2.195 0.549 0.910 1.000 1.000 CB 1.549 15 residues pruned to eliminate duplicates Z: 91 58.829 2.179 0.810 0.583 0.944 0.656 CB 1.538 91 residues pruned to eliminate duplicates Z: 11 8.410 1.949 0.317 0.727 0.900 0.500 CB 0.938 11 residues pruned to eliminate duplicates Z: 18 23.775 2.063 0.840 0.807 0.824 0.647 CB 1.412 18 residues pruned to eliminate duplicates Z: 10 12.660 1.813 0.697 0.557 1.000 0.778 CB 1.299 10 residues pruned to eliminate duplicates Z: 29 21.311 2.283 0.327 0.428 0.929 0.607 CB 1.543 29 residues pruned to eliminate duplicates Z: 17 16.238 1.973 0.560 0.506 0.875 0.500 CB 1.498 17 residues pruned to eliminate duplicates Z: 32 22.670 2.071 0.578 0.542 0.839 0.581 CB 1.425 32 residues pruned to eliminate duplicates Z: 22 24.135 1.930 0.847 0.603 0.905 0.714 CB 1.480 22 residues pruned to eliminate duplicates Z: 10 10.731 1.849 0.364 0.587 1.000 0.667 CB 1.304 10 residues pruned to eliminate duplicates Z: 41 45.336 2.187 0.855 0.661 0.950 0.750 CB 1.602 41 residues pruned to eliminate duplicates Z: 95 72.389 2.272 0.950 0.576 0.957 0.649 CB 1.635 95 residues pruned to eliminate duplicates Z: 13 13.133 1.773 0.446 0.854 1.000 0.750 CB 1.092 13 residues pruned to eliminate duplicates Z: 12 12.803 1.785 0.540 0.666 1.000 0.727 CA 1.205 12 residues pruned to eliminate duplicates Z: 9 8.426 1.690 0.694 0.538 0.875 0.500 CB 1.146 9 residues pruned to eliminate duplicates Z: 11 15.225 1.836 0.663 0.892 1.000 0.400 CB 1.133 11 residues pruned to eliminate duplicates Z: 7 4.219 1.468 0.263 0.496 0.833 0.500 CB 1.119 Z: 7 3.065 1.561 0.247 0.306 1.000 0.500 CA 0.797 6 1.477 1.068 0.611 0.610 0.600 0.400 O 0.576 ? Z: 34 24.914 2.035 0.571 0.563 0.939 0.636 CB 1.359 34 residues pruned to eliminate duplicates Z: 82 57.437 2.191 0.879 0.565 0.963 0.654 CB 1.512 82 residues pruned to eliminate duplicates Z: 43 46.632 2.172 1.159 0.539 0.929 0.667 CB 1.591 43 residues pruned to eliminate duplicates Z: 10 14.751 1.974 0.347 0.822 1.000 0.889 CB 1.400 10 residues pruned to eliminate duplicates Z: 11 14.145 1.884 0.479 0.883 1.000 1.000 CB 1.161 11 residues pruned to eliminate duplicates Z: 21 22.675 2.189 0.727 0.575 0.850 0.550 CB 1.468 21 residues pruned to eliminate duplicates Z: 49 46.039 2.236 0.954 0.540 0.896 0.688 CB 1.632 49 residues pruned to eliminate duplicates Z: 18 25.171 1.989 0.703 0.723 0.941 0.765 CB 1.565 18 residues pruned to eliminate duplicates Z: 20 25.508 2.222 0.650 0.525 0.895 0.632 CB 1.740 20 residues pruned to eliminate duplicates Z: 47 45.292 2.212 0.968 0.546 0.935 0.696 CB 1.569 47 residues pruned to eliminate duplicates Z: 15 29.064 2.224 0.660 0.885 0.929 0.857 CB 1.636 15 residues pruned to eliminate duplicates Z: 80 56.248 2.241 0.763 0.585 0.962 0.684 CB 1.534 80 residues pruned to eliminate duplicates Z: 67 55.971 2.162 1.100 0.553 0.939 0.727 CB 1.534 67 residues pruned to eliminate duplicates Z: 32 34.557 2.226 0.583 0.633 0.968 0.774 CB 1.606 32 residues pruned to eliminate duplicates Z: 7 6.163 1.664 0.737 0.376 0.833 0.667 C 1.193 7 residues pruned to eliminate duplicates Z: 13 3.513 1.411 0.488 0.296 0.667 0.583 CB 0.909 Z: 40 34.089 2.111 0.931 0.484 0.923 0.564 CB 1.475 40 residues pruned to eliminate duplicates Z: 27 25.227 2.152 0.468 0.535 0.962 0.577 CB 1.573 27 residues pruned to eliminate duplicates Z: 15 18.969 1.976 0.787 0.720 0.929 0.643 CB 1.267 15 residues pruned to eliminate duplicates Z: 68 64.536 2.234 1.066 0.579 0.970 0.687 CB 1.632 68 residues pruned to eliminate duplicates Z: 10 12.667 1.885 0.727 0.642 0.889 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 35 40.567 2.321 0.927 0.483 0.912 0.588 CB 1.735 35 residues pruned to eliminate duplicates Z: 25 19.958 1.890 0.708 0.531 0.917 0.625 CB 1.335 26 residues pruned to eliminate duplicates Z: 6 2.821 1.500 0.415 0.343 1.000 0.600 N 0.706 Z: 39 25.968 2.140 0.417 0.453 0.947 0.579 CB 1.538 39 residues pruned to eliminate duplicates Z: 19 17.659 2.087 0.612 0.504 0.889 0.667 CB 1.387 19 residues pruned to eliminate duplicates Z: 9 6.438 1.637 0.845 0.414 0.750 0.500 CB 1.099 10 residues pruned to eliminate duplicates Z: 39 31.244 2.154 0.905 0.401 0.895 0.553 CB 1.532 39 residues pruned to eliminate duplicates Z: 14 9.158 1.648 0.405 0.583 1.000 0.692 CB 1.012 14 residues pruned to eliminate duplicates Z: 65 47.249 2.142 0.917 0.534 0.875 0.609 CB 1.589 64 residues pruned to eliminate duplicates Z: 17 12.446 1.801 0.486 0.593 0.938 0.562 CB 1.135 17 residues pruned to eliminate duplicates Z: 18 16.858 2.065 0.523 0.616 0.882 0.412 CB 1.320 18 residues pruned to eliminate duplicates Z: 107 71.041 2.267 0.949 0.541 0.934 0.670 CB 1.606 107 residues pruned to eliminate duplicates 6 1.628 1.502 0.109 0.166 0.600 0.400 O 1.095 ? Z: 31 44.118 2.226 1.149 0.571 1.000 0.700 CB 1.572 31 residues pruned to eliminate duplicates Z: 81 58.631 2.247 0.941 0.546 0.925 0.750 CB 1.553 81 residues pruned to eliminate duplicates Z: 16 28.865 2.194 0.588 0.872 0.933 0.867 CA 1.670 16 residues pruned to eliminate duplicates Z: 42 31.968 2.071 0.659 0.583 0.902 0.488 CB 1.487 42 residues pruned to eliminate duplicates Z: 8 8.061 1.767 0.439 0.716 0.857 0.857 CB 1.150 8 residues pruned to eliminate duplicates Z: 10 10.700 1.601 0.971 0.667 0.889 0.778 CB 1.090 11 residues pruned to eliminate duplicates Z: 20 18.344 1.892 0.539 0.596 0.895 0.632 CB 1.474 20 residues pruned to eliminate duplicates Z: 6 3.050 1.330 0.247 0.516 1.000 0.400 N 0.809 Z: 52 37.610 2.124 0.807 0.500 0.941 0.706 CB 1.458 52 residues pruned to eliminate duplicates Z: 13 21.204 2.200 0.797 0.603 0.917 0.750 CA 1.532 13 residues pruned to eliminate duplicates Z: 15 34.605 2.279 0.965 0.761 1.000 0.714 CA 1.638 15 residues pruned to eliminate duplicates Z: 56 43.450 2.186 0.766 0.615 0.927 0.600 CB 1.467 56 residues pruned to eliminate duplicates Z: 12 15.929 1.900 0.991 0.632 0.909 0.636 CB 1.233 12 residues pruned to eliminate duplicates Z: 17 33.149 2.245 0.765 0.803 0.938 0.750 CA 1.713 17 residues pruned to eliminate duplicates Z: 12 2.936 1.342 0.313 0.133 0.818 0.545 CA 0.971 Z: 9 4.052 1.993 0.063 0.199 0.750 0.375 CA 1.289 9 residues pruned to eliminate duplicates Z: 51 51.662 2.303 0.896 0.541 0.940 0.640 CB 1.710 51 residues pruned to eliminate duplicates Z: 17 18.918 1.958 0.567 0.765 0.938 0.500 CB 1.300 17 residues pruned to eliminate duplicates Z: 9 11.170 1.790 0.652 0.640 1.000 1.000 CA 1.172 9 residues pruned to eliminate duplicates Z: 14 22.504 2.266 1.007 0.483 0.846 0.692 CB 1.650 14 residues pruned to eliminate duplicates Z: 6 6.059 1.928 0.341 0.396 0.800 0.600 CB 1.463 6 residues pruned to eliminate duplicates Z: 25 41.593 2.241 0.933 0.742 0.958 0.583 CB 1.648 25 residues pruned to eliminate duplicates Z: 15 27.062 2.171 0.772 0.759 1.000 0.857 CB 1.493 15 residues pruned to eliminate duplicates Z: 25 23.876 2.110 0.434 0.552 0.917 0.667 CB 1.670 25 residues pruned to eliminate duplicates Z: 19 20.877 2.170 0.987 0.336 0.889 0.667 CB 1.536 19 residues pruned to eliminate duplicates Z: 27 19.773 1.960 0.691 0.422 0.885 0.577 CB 1.434 27 residues pruned to eliminate duplicates Z: 14 21.813 2.123 0.683 0.724 0.923 0.692 CB 1.498 14 residues pruned to eliminate duplicates Z: 20 15.881 1.872 0.752 0.549 0.789 0.474 CB 1.341 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 17.740 1.829 1.010 0.661 0.923 0.769 CA 1.249 14 residues pruned to eliminate duplicates Z: 25 20.758 1.852 0.906 0.489 0.958 0.667 CB 1.266 25 residues pruned to eliminate duplicates Z: 23 25.802 1.972 0.849 0.613 1.000 0.682 CA 1.356 23 residues pruned to eliminate duplicates Z: 23 23.119 1.922 0.853 0.575 0.955 0.682 CB 1.349 23 residues pruned to eliminate duplicates Z: 24 19.273 1.902 0.600 0.583 0.913 0.652 CA 1.336 24 residues pruned to eliminate duplicates Z: 24 22.371 1.918 0.843 0.557 0.957 0.696 CA 1.305 23 residues pruned to eliminate duplicates Z: 8 2.962 1.535 0.473 0.287 0.571 0.429 CA 1.102 8 residues pruned to eliminate duplicates Z: 25 21.843 1.879 0.699 0.586 1.000 0.750 CB 1.287 25 residues pruned to eliminate duplicates Z: 11 11.018 1.795 0.564 0.589 0.900 0.600 CA 1.267 10 residues pruned to eliminate duplicates Z: 6 2.088 1.274 0.114 0.278 1.000 0.600 CA 0.846 6 residues pruned to eliminate duplicates Z: 24 20.358 1.886 0.759 0.611 0.913 0.696 CB 1.261 24 residues pruned to eliminate duplicates Z: 13 9.829 1.764 0.714 0.513 0.917 0.500 CB 1.011 13 residues pruned to eliminate duplicates Z: 12 11.741 1.749 0.860 0.582 0.818 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 26 19.074 1.887 0.887 0.577 0.840 0.680 CB 1.184 26 residues pruned to eliminate duplicates Z: 10 10.506 1.879 0.461 0.503 1.000 0.778 CA 1.272 10 residues pruned to eliminate duplicates Z: 24 18.998 1.846 0.885 0.537 0.826 0.739 CA 1.328 24 residues pruned to eliminate duplicates Z: 16 8.437 1.605 0.473 0.454 0.800 0.667 CB 1.207 16 residues pruned to eliminate duplicates Z: 11 14.893 1.864 0.760 0.661 0.900 0.800 CB 1.374 11 residues pruned to eliminate duplicates Z: 10 15.331 1.888 0.737 0.632 1.000 0.889 CB 1.377 10 residues pruned to eliminate duplicates Z: 10 13.308 1.879 0.704 0.634 0.889 0.667 CA 1.374 10 residues pruned to eliminate duplicates Z: 20 16.416 1.802 0.819 0.493 0.842 0.789 CB 1.374 20 residues pruned to eliminate duplicates Z: 22 23.865 1.893 0.876 0.644 0.952 0.714 CB 1.347 22 residues pruned to eliminate duplicates Z: 22 18.852 1.870 0.765 0.547 0.905 0.571 CA 1.316 22 residues pruned to eliminate duplicates Z: 11 7.435 1.761 0.603 0.469 0.800 0.600 CB 1.075 11 residues pruned to eliminate duplicates Z: 16 24.077 1.954 0.988 0.678 0.933 0.800 CB 1.455 16 residues pruned to eliminate duplicates Z: 21 23.491 1.907 0.921 0.641 0.950 0.700 CB 1.323 21 residues pruned to eliminate duplicates Z: 34 56.448 2.339 1.036 0.695 0.970 0.636 CB 1.780 34 residues pruned to eliminate duplicates Z: 35 45.640 2.261 0.781 0.655 0.971 0.735 CB 1.735 35 residues pruned to eliminate duplicates Z: 49 50.783 2.330 0.973 0.575 0.875 0.688 CB 1.695 49 residues pruned to eliminate duplicates Z: 34 48.442 2.317 0.826 0.668 0.970 0.636 CB 1.759 34 residues pruned to eliminate duplicates Z: 47 58.001 2.349 0.950 0.620 0.957 0.587 CB 1.742 47 residues pruned to eliminate duplicates Z: 134 80.358 2.278 0.891 0.593 0.902 0.669 CB 1.640 134 residues pruned to eliminate duplicates Z: 46 58.327 2.342 0.997 0.632 0.956 0.733 CB 1.719 46 residues pruned to eliminate duplicates Z: 33 55.940 2.361 1.037 0.678 0.969 0.656 CB 1.802 33 residues pruned to eliminate duplicates Z: 46 55.820 2.305 1.007 0.619 0.933 0.667 CB 1.723 46 residues pruned to eliminate duplicates Z: 59 53.710 2.339 0.871 0.542 0.914 0.621 CB 1.693 59 residues pruned to eliminate duplicates Z: 45 58.837 2.374 1.067 0.611 0.932 0.659 CB 1.747 46 residues pruned to eliminate duplicates Z: 18 43.067 2.330 1.088 0.811 0.882 0.588 CA 1.856 18 residues pruned to eliminate duplicates Z: 128 80.112 2.291 0.838 0.589 0.937 0.630 CB 1.654 128 residues pruned to eliminate duplicates Z: 46 55.559 2.347 0.959 0.618 0.933 0.667 CB 1.725 45 residues pruned to eliminate duplicates Z: 17 48.145 2.456 1.064 0.799 1.000 0.438 CA 1.828 17 residues pruned to eliminate duplicates Z: 81 71.218 2.306 0.978 0.593 0.938 0.762 CB 1.703 81 residues pruned to eliminate duplicates Z: 46 56.943 2.358 1.021 0.636 0.889 0.689 CB 1.763 46 residues pruned to eliminate duplicates Z: 130 86.254 2.287 0.954 0.598 0.930 0.698 CB 1.663 130 residues pruned to eliminate duplicates Z: 12 16.211 1.890 0.533 0.650 1.000 0.636 CA 1.467 12 residues pruned to eliminate duplicates Z: 62 60.410 2.328 1.013 0.559 0.902 0.672 CB 1.727 62 residues pruned to eliminate duplicates Z: 48 54.173 2.293 0.899 0.602 0.957 0.681 CB 1.720 48 residues pruned to eliminate duplicates Z: 44 57.249 2.380 1.073 0.594 0.907 0.581 CB 1.783 44 residues pruned to eliminate duplicates Z: 136 76.755 2.251 0.796 0.587 0.926 0.674 CB 1.624 136 residues pruned to eliminate duplicates Z: 48 60.372 2.367 1.035 0.609 0.936 0.745 CB 1.761 49 residues pruned to eliminate duplicates Z: 6 5.927 1.706 0.585 0.482 1.000 0.800 CB 0.999 6 residues pruned to eliminate duplicates Z: 47 53.955 2.336 0.932 0.587 0.957 0.696 CB 1.696 47 residues pruned to eliminate duplicates Z: 34 52.263 2.313 1.020 0.679 0.939 0.636 CB 1.758 34 residues pruned to eliminate duplicates Z: 34 51.125 2.286 0.969 0.685 0.970 0.758 CB 1.720 34 residues pruned to eliminate duplicates Z: 128 84.466 2.302 0.912 0.617 0.929 0.732 CB 1.641 128 residues pruned to eliminate duplicates Z: 46 56.593 2.323 1.053 0.583 0.956 0.689 CB 1.710 46 residues pruned to eliminate duplicates Z: 45 59.381 2.373 1.065 0.616 0.955 0.727 CB 1.715 45 residues pruned to eliminate duplicates Z: 50 54.060 2.313 1.051 0.561 0.898 0.653 CB 1.708 50 residues pruned to eliminate duplicates Z: 48 53.435 2.301 0.937 0.593 0.957 0.745 CB 1.670 48 residues pruned to eliminate duplicates Z: 14 18.064 2.271 0.771 0.406 0.923 0.615 CB 1.489 14 residues pruned to eliminate duplicates Z: 48 61.237 2.368 1.107 0.602 0.915 0.681 CB 1.776 48 residues pruned to eliminate duplicates Z: 46 55.165 2.336 0.991 0.629 0.911 0.689 CB 1.718 46 residues pruned to eliminate duplicates Z: 133 83.860 2.278 0.916 0.599 0.932 0.735 CB 1.633 133 residues pruned to eliminate duplicates Z: 134 80.342 2.269 0.846 0.605 0.932 0.699 CB 1.614 134 residues pruned to eliminate duplicates Z: 46 58.028 2.332 1.004 0.647 0.933 0.667 CB 1.729 46 residues pruned to eliminate duplicates Z: 45 54.926 2.356 1.124 0.579 0.886 0.636 CB 1.730 45 residues pruned to eliminate duplicates Z: 45 62.762 2.381 1.064 0.637 0.977 0.659 CB 1.733 45 residues pruned to eliminate duplicates Z: 60 56.684 2.314 1.006 0.548 0.932 0.593 CB 1.627 60 residues pruned to eliminate duplicates Z: 129 83.635 2.297 0.892 0.618 0.922 0.672 CB 1.650 129 residues pruned to eliminate duplicates Z: 129 88.183 2.298 0.934 0.612 0.945 0.648 CB 1.668 129 residues pruned to eliminate duplicates Z: 128 88.731 2.310 0.926 0.605 0.953 0.669 CB 1.682 126 residues pruned to eliminate duplicates Z: 6 6.024 1.723 0.524 0.391 1.000 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 91 57.604 2.204 0.807 0.573 0.933 0.678 CB 1.522 91 residues pruned to eliminate duplicates Z: 95 72.392 2.287 0.902 0.593 0.947 0.660 CB 1.659 95 residues pruned to eliminate duplicates Z: 20 23.403 2.129 0.889 0.398 0.947 0.579 CB 1.570 20 residues pruned to eliminate duplicates Z: 100 66.026 2.250 0.870 0.582 0.919 0.687 CB 1.586 100 residues pruned to eliminate duplicates Z: 118 75.813 2.289 0.880 0.570 0.923 0.692 CB 1.649 118 residues pruned to eliminate duplicates Z: 102 60.329 2.206 0.777 0.564 0.921 0.663 CB 1.564 102 residues pruned to eliminate duplicates Z: 135 82.744 2.266 0.869 0.600 0.940 0.687 CB 1.631 135 residues pruned to eliminate duplicates Z: 67 46.473 2.228 0.902 0.461 0.879 0.682 CB 1.599 67 residues pruned to eliminate duplicates Z: 53 41.739 2.188 0.899 0.481 0.885 0.673 CB 1.605 53 residues pruned to eliminate duplicates Z: 97 64.423 2.253 0.818 0.578 0.938 0.677 CB 1.589 97 residues pruned to eliminate duplicates Z: 91 61.665 2.205 0.857 0.576 0.922 0.700 CB 1.600 91 residues pruned to eliminate duplicates Z: 102 67.516 2.220 0.879 0.580 0.941 0.634 CB 1.585 102 residues pruned to eliminate duplicates Z: 101 65.576 2.242 0.879 0.567 0.920 0.610 CB 1.585 101 residues pruned to eliminate duplicates Z: 102 67.679 2.221 0.940 0.560 0.931 0.634 CB 1.583 102 residues pruned to eliminate duplicates Z: 87 55.983 2.200 0.781 0.579 0.919 0.628 CB 1.555 87 residues pruned to eliminate duplicates Z: 97 61.580 2.251 0.815 0.578 0.917 0.667 CB 1.556 97 residues pruned to eliminate duplicates Z: 80 58.582 2.268 0.792 0.602 0.911 0.709 CB 1.616 80 residues pruned to eliminate duplicates Z: 80 63.115 2.286 0.781 0.600 0.962 0.709 CB 1.648 80 residues pruned to eliminate duplicates Z: 62 50.194 2.223 0.883 0.502 0.934 0.623 CB 1.640 62 residues pruned to eliminate duplicates Z: 39 40.735 2.140 0.988 0.502 0.947 0.605 CA 1.637 39 residues pruned to eliminate duplicates Z: 39 40.286 2.143 1.005 0.511 0.921 0.553 CB 1.634 39 residues pruned to eliminate duplicates Z: 81 74.856 2.304 1.060 0.585 0.963 0.650 CB 1.689 81 residues pruned to eliminate duplicates Z: 129 85.026 2.299 0.895 0.602 0.945 0.664 CB 1.657 129 residues pruned to eliminate duplicates Z: 74 60.720 2.247 0.859 0.567 0.945 0.712 CB 1.687 74 residues pruned to eliminate duplicates Z: 132 80.642 2.263 0.884 0.608 0.924 0.679 CB 1.614 132 residues pruned to eliminate duplicates Z: 82 61.349 2.253 0.742 0.602 0.963 0.691 CB 1.636 82 residues pruned to eliminate duplicates Z: 90 53.478 2.153 0.786 0.551 0.944 0.584 CB 1.486 90 residues pruned to eliminate duplicates Z: 87 57.738 2.200 0.843 0.597 0.930 0.663 CB 1.505 87 residues pruned to eliminate duplicates Z: 35 44.820 2.235 0.992 0.555 1.000 0.735 CB 1.636 35 residues pruned to eliminate duplicates Z: 84 76.509 2.295 1.053 0.603 0.952 0.723 CB 1.698 84 residues pruned to eliminate duplicates Z: 134 77.695 2.229 0.855 0.591 0.932 0.617 CB 1.602 134 residues pruned to eliminate duplicates Z: 101 64.341 2.251 0.810 0.586 0.920 0.670 CB 1.581 101 residues pruned to eliminate duplicates Z: 95 71.369 2.289 0.891 0.596 0.957 0.745 CB 1.620 95 residues pruned to eliminate duplicates Z: 69 48.836 2.234 0.732 0.552 0.882 0.632 CB 1.650 69 residues pruned to eliminate duplicates Z: 41 39.272 2.312 0.674 0.593 0.900 0.725 CB 1.632 41 residues pruned to eliminate duplicates Z: 127 86.947 2.281 0.967 0.610 0.952 0.706 CB 1.633 127 residues pruned to eliminate duplicates Z: 6 4.521 2.017 0.910 0.299 0.800 0.400 CB 0.821 6 residues pruned to eliminate duplicates Z: 134 82.955 2.253 0.989 0.585 0.925 0.707 CB 1.599 134 residues pruned to eliminate duplicates Z: 53 46.428 2.271 0.755 0.607 0.923 0.615 CB 1.581 53 residues pruned to eliminate duplicates Z: 96 59.030 2.239 0.811 0.554 0.905 0.632 CB 1.566 96 residues pruned to eliminate duplicates Z: 134 85.091 2.260 0.942 0.607 0.940 0.677 CB 1.616 134 residues pruned to eliminate duplicates Z: 128 88.610 2.307 0.948 0.609 0.953 0.701 CB 1.655 128 residues pruned to eliminate duplicates Z: 39 32.408 2.291 0.607 0.539 0.868 0.658 CB 1.583 39 residues pruned to eliminate duplicates Z: 164 83.180 2.242 0.833 0.567 0.939 0.693 CB 1.582 164 residues pruned to eliminate duplicates Z: 62 46.849 2.203 0.877 0.602 0.918 0.525 CB 1.434 62 residues pruned to eliminate duplicates Z: 96 62.123 2.253 0.839 0.582 0.926 0.716 CB 1.535 96 residues pruned to eliminate duplicates Z: 86 56.697 2.212 0.816 0.574 0.953 0.659 CB 1.496 86 residues pruned to eliminate duplicates Z: 92 51.838 2.195 0.704 0.560 0.912 0.681 CB 1.502 92 residues pruned to eliminate duplicates Z: 84 63.946 2.255 0.868 0.596 0.952 0.663 CB 1.597 84 residues pruned to eliminate duplicates Z: 88 48.467 2.183 0.785 0.530 0.874 0.678 CB 1.481 88 residues pruned to eliminate duplicates Z: 97 60.150 2.255 0.793 0.559 0.927 0.667 CB 1.547 97 residues pruned to eliminate duplicates Z: 76 59.076 2.255 0.861 0.604 0.947 0.667 CB 1.555 76 residues pruned to eliminate duplicates Z: 89 51.989 2.180 0.740 0.574 0.898 0.648 CB 1.515 89 residues pruned to eliminate duplicates Z: 60 42.350 2.179 0.703 0.572 0.949 0.644 CB 1.461 60 residues pruned to eliminate duplicates Z: 49 45.470 2.277 0.682 0.635 0.979 0.729 CB 1.541 49 residues pruned to eliminate duplicates Z: 54 37.063 2.191 0.691 0.598 0.868 0.585 CB 1.442 54 residues pruned to eliminate duplicates Z: 38 28.999 2.069 0.556 0.630 0.892 0.541 CB 1.469 38 residues pruned to eliminate duplicates Z: 78 52.642 2.236 0.709 0.592 0.922 0.675 CB 1.560 78 residues pruned to eliminate duplicates Z: 88 49.919 2.176 0.756 0.549 0.908 0.644 CB 1.470 88 residues pruned to eliminate duplicates Z: 97 64.266 2.257 0.880 0.586 0.917 0.667 CB 1.552 97 residues pruned to eliminate duplicates Z: 45 42.776 2.224 0.810 0.623 0.932 0.636 CB 1.532 45 residues pruned to eliminate duplicates Z: 54 40.415 2.143 0.764 0.613 0.906 0.623 CB 1.458 54 residues pruned to eliminate duplicates Z: 133 72.770 2.238 0.796 0.581 0.932 0.652 CB 1.564 133 residues pruned to eliminate duplicates Z: 51 31.731 2.109 0.618 0.586 0.900 0.660 CB 1.345 51 residues pruned to eliminate duplicates Z: 58 41.933 2.226 0.656 0.584 0.930 0.649 CB 1.495 58 residues pruned to eliminate duplicates Z: 39 41.347 2.212 0.725 0.641 0.947 0.579 CB 1.625 39 residues pruned to eliminate duplicates Z: 41 36.117 2.191 0.707 0.623 0.875 0.650 CB 1.554 41 residues pruned to eliminate duplicates Z: 62 39.704 2.155 0.662 0.558 0.918 0.574 CB 1.461 62 residues pruned to eliminate duplicates Z: 91 63.849 2.232 0.868 0.622 0.933 0.689 CB 1.542 91 residues pruned to eliminate duplicates Z: 11 22.721 2.056 0.671 0.894 1.000 0.700 CB 1.500 11 residues pruned to eliminate duplicates Z: 57 38.207 2.185 0.714 0.563 0.946 0.607 CB 1.354 57 residues pruned to eliminate duplicates Z: 80 59.254 2.261 0.781 0.613 0.937 0.759 CB 1.589 80 residues pruned to eliminate duplicates Z: 46 39.704 2.214 0.790 0.617 0.933 0.667 CB 1.432 46 residues pruned to eliminate duplicates Z: 54 42.959 2.232 0.733 0.619 0.925 0.585 CB 1.475 54 residues pruned to eliminate duplicates Z: 83 58.875 2.230 0.808 0.580 0.939 0.671 CB 1.590 83 residues pruned to eliminate duplicates Z: 43 37.648 2.131 0.784 0.607 0.952 0.619 CB 1.450 43 residues pruned to eliminate duplicates Z: 58 38.679 2.211 0.643 0.597 0.895 0.596 CB 1.437 58 residues pruned to eliminate duplicates Z: 58 39.649 2.191 0.714 0.586 0.877 0.596 CB 1.469 58 residues pruned to eliminate duplicates Z: 84 56.909 2.198 0.885 0.582 0.928 0.651 CB 1.503 84 residues pruned to eliminate duplicates Z: 135 84.516 2.266 0.918 0.613 0.940 0.724 CB 1.605 135 residues pruned to eliminate duplicates Z: 20 16.533 1.960 0.661 0.650 0.789 0.421 CB 1.283 20 residues pruned to eliminate duplicates Z: 34 20.027 2.034 0.514 0.495 0.848 0.576 CB 1.341 34 residues pruned to eliminate duplicates Z: 72 43.154 2.145 0.614 0.575 0.930 0.592 CB 1.481 72 residues pruned to eliminate duplicates Z: 47 20.365 1.909 0.492 0.452 0.848 0.565 CB 1.306 47 residues pruned to eliminate duplicates Z: 33 19.884 2.077 0.451 0.500 0.875 0.469 CB 1.334 33 residues pruned to eliminate duplicates Z: 120 63.443 2.188 0.774 0.581 0.933 0.655 CB 1.486 120 residues pruned to eliminate duplicates Z: 31 21.435 2.100 0.439 0.487 0.900 0.500 CB 1.458 31 residues pruned to eliminate duplicates Z: 31 23.179 2.079 0.497 0.528 0.900 0.533 CB 1.470 31 residues pruned to eliminate duplicates Z: 121 58.033 2.185 0.729 0.551 0.900 0.633 CB 1.482 121 residues pruned to eliminate duplicates Z: 30 25.482 2.155 0.551 0.483 0.966 0.448 CB 1.491 30 residues pruned to eliminate duplicates Z: 26 26.176 2.234 0.572 0.553 0.920 0.520 CB 1.539 26 residues pruned to eliminate duplicates Z: 33 20.682 2.034 0.408 0.493 0.938 0.562 CB 1.370 33 residues pruned to eliminate duplicates Z: 19 11.513 1.744 0.548 0.457 0.889 0.389 CB 1.181 19 residues pruned to eliminate duplicates Z: 34 21.051 1.976 0.477 0.493 0.909 0.545 CB 1.391 34 residues pruned to eliminate duplicates Z: 33 22.846 2.061 0.561 0.509 0.906 0.531 CB 1.373 33 residues pruned to eliminate duplicates Z: 32 21.226 2.062 0.480 0.494 0.871 0.548 CB 1.443 32 residues pruned to eliminate duplicates Z: 34 23.179 2.032 0.490 0.509 0.939 0.606 CB 1.406 34 residues pruned to eliminate duplicates Z: 26 22.762 2.189 0.563 0.523 0.840 0.560 CB 1.548 26 residues pruned to eliminate duplicates Z: 28 20.377 2.178 0.418 0.486 0.889 0.519 CB 1.449 28 residues pruned to eliminate duplicates Z: 26 21.232 2.241 0.462 0.502 0.880 0.480 CB 1.469 26 residues pruned to eliminate duplicates Z: 27 26.038 2.160 0.535 0.505 1.000 0.538 CB 1.532 27 residues pruned to eliminate duplicates Z: 41 27.455 2.135 0.515 0.505 0.900 0.550 CB 1.483 41 residues pruned to eliminate duplicates Z: 31 22.520 2.081 0.485 0.494 0.933 0.667 CB 1.434 31 residues pruned to eliminate duplicates Z: 34 23.135 2.067 0.509 0.527 0.939 0.545 CB 1.338 34 residues pruned to eliminate duplicates Z: 30 24.815 2.133 0.497 0.514 0.966 0.586 CB 1.473 30 residues pruned to eliminate duplicates Z: 13 20.517 2.213 0.875 0.450 0.917 0.583 CB 1.638 13 residues pruned to eliminate duplicates Z: 27 24.585 2.238 0.625 0.494 0.885 0.423 CB 1.508 27 residues pruned to eliminate duplicates Z: 36 28.756 2.199 0.537 0.514 0.971 0.571 CB 1.459 36 residues pruned to eliminate duplicates Z: 27 23.290 2.163 0.612 0.508 0.885 0.538 CB 1.469 27 residues pruned to eliminate duplicates Z: 12 17.039 2.332 0.694 0.430 0.818 0.636 CB 1.709 12 residues pruned to eliminate duplicates Z: 13 15.878 2.261 0.818 0.416 0.833 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 34 26.331 2.085 0.880 0.471 0.788 0.545 CB 1.529 34 residues pruned to eliminate duplicates Z: 17 25.931 2.275 0.946 0.499 0.938 0.688 CB 1.563 17 residues pruned to eliminate duplicates Z: 16 20.129 2.181 0.838 0.372 0.867 0.667 CB 1.716 16 residues pruned to eliminate duplicates Z: 127 58.219 2.188 0.717 0.538 0.913 0.683 CB 1.457 127 residues pruned to eliminate duplicates Z: 12 19.089 2.336 0.664 0.432 0.909 0.727 CB 1.749 12 residues pruned to eliminate duplicates Z: 41 26.632 2.111 0.550 0.503 0.950 0.600 CB 1.351 41 residues pruned to eliminate duplicates Z: 35 45.018 2.307 0.954 0.535 0.912 0.618 CB 1.815 35 residues pruned to eliminate duplicates Z: 69 67.713 2.310 1.054 0.535 0.971 0.721 CB 1.723 69 residues pruned to eliminate duplicates Z: 49 47.509 2.252 0.915 0.583 0.896 0.625 CB 1.639 49 residues pruned to eliminate duplicates Z: 81 66.435 2.247 1.008 0.558 0.950 0.738 CB 1.638 81 residues pruned to eliminate duplicates Z: 81 60.329 2.242 0.912 0.541 0.925 0.725 CB 1.634 81 residues pruned to eliminate duplicates Z: 80 61.304 2.254 0.909 0.541 0.924 0.684 CB 1.667 80 residues pruned to eliminate duplicates Z: 131 73.470 2.220 0.826 0.562 0.923 0.654 CB 1.621 131 residues pruned to eliminate duplicates Z: 38 41.823 2.149 1.044 0.612 0.919 0.676 CB 1.532 38 residues pruned to eliminate duplicates Z: 11 16.606 1.970 0.768 0.617 0.900 0.800 CA 1.500 11 residues pruned to eliminate duplicates Z: 47 47.911 2.294 0.941 0.589 0.870 0.696 CB 1.675 47 residues pruned to eliminate duplicates Z: 49 47.682 2.257 0.956 0.530 0.958 0.625 CB 1.579 49 residues pruned to eliminate duplicates Z: 80 69.101 2.258 0.981 0.570 0.975 0.759 CB 1.667 80 residues pruned to eliminate duplicates Z: 50 45.804 2.214 0.901 0.542 0.918 0.653 CB 1.625 50 residues pruned to eliminate duplicates Z: 80 61.671 2.242 0.949 0.540 0.937 0.696 CB 1.630 80 residues pruned to eliminate duplicates Z: 132 74.976 2.229 0.824 0.562 0.939 0.641 CB 1.615 132 residues pruned to eliminate duplicates Z: 7 6.297 1.637 0.459 0.526 0.833 0.833 CA 1.259 7 residues pruned to eliminate duplicates Z: 83 62.353 2.247 0.920 0.541 0.939 0.695 CB 1.634 83 residues pruned to eliminate duplicates Z: 45 52.320 2.275 0.990 0.600 0.932 0.682 CB 1.699 45 residues pruned to eliminate duplicates Z: 124 75.710 2.273 0.810 0.592 0.927 0.675 CB 1.640 124 residues pruned to eliminate duplicates Z: 45 53.114 2.301 0.933 0.587 0.977 0.636 CB 1.695 45 residues pruned to eliminate duplicates Z: 131 74.829 2.245 0.791 0.587 0.931 0.723 CB 1.614 131 residues pruned to eliminate duplicates Z: 81 62.402 2.261 0.886 0.546 0.950 0.713 CB 1.646 81 residues pruned to eliminate duplicates Z: 82 67.034 2.250 1.033 0.559 0.914 0.778 CB 1.682 82 residues pruned to eliminate duplicates Z: 45 53.666 2.258 0.984 0.616 0.955 0.773 CB 1.696 45 residues pruned to eliminate duplicates Z: 80 68.037 2.267 0.945 0.582 0.962 0.734 CB 1.669 80 residues pruned to eliminate duplicates Z: 78 62.604 2.262 1.007 0.588 0.909 0.753 CB 1.589 78 residues pruned to eliminate duplicates Z: 46 48.654 2.241 0.921 0.607 0.933 0.667 CB 1.631 46 residues pruned to eliminate duplicates Z: 98 66.216 2.237 0.833 0.566 0.948 0.691 CB 1.623 98 residues pruned to eliminate duplicates Z: 80 71.302 2.259 1.079 0.557 0.962 0.696 CB 1.679 80 residues pruned to eliminate duplicates Z: 81 65.974 2.241 0.979 0.560 0.950 0.775 CB 1.652 81 residues pruned to eliminate duplicates Z: 44 58.263 2.280 1.091 0.643 0.953 0.721 CB 1.710 44 residues pruned to eliminate duplicates Z: 125 82.203 2.261 0.910 0.610 0.944 0.718 CB 1.632 125 residues pruned to eliminate duplicates Z: 133 77.285 2.226 0.890 0.606 0.924 0.742 CB 1.564 133 residues pruned to eliminate duplicates Z: 80 69.590 2.260 1.040 0.581 0.962 0.696 CB 1.633 80 residues pruned to eliminate duplicates Z: 48 48.106 2.272 0.907 0.522 0.957 0.702 CB 1.655 48 residues pruned to eliminate duplicates Z: 131 73.310 2.201 0.879 0.609 0.908 0.685 CB 1.545 131 residues pruned to eliminate duplicates Z: 38 37.428 2.182 0.863 0.520 0.946 0.649 CB 1.568 38 residues pruned to eliminate duplicates Z: 90 56.170 2.193 0.806 0.578 0.899 0.652 CB 1.552 90 residues pruned to eliminate duplicates Z: 37 37.015 2.162 0.907 0.535 0.917 0.639 CB 1.578 37 residues pruned to eliminate duplicates Z: 80 60.486 2.197 0.968 0.565 0.937 0.646 CB 1.578 80 residues pruned to eliminate duplicates Z: 43 39.381 2.169 0.889 0.527 0.929 0.667 CB 1.556 43 residues pruned to eliminate duplicates Z: 35 35.481 2.147 0.978 0.522 0.912 0.676 CB 1.538 35 residues pruned to eliminate duplicates Z: 32 45.261 2.240 1.158 0.549 0.968 0.742 CB 1.657 32 residues pruned to eliminate duplicates Z: 37 43.114 2.160 1.090 0.538 0.972 0.694 CB 1.576 37 residues pruned to eliminate duplicates Z: 99 69.862 2.224 1.003 0.558 0.929 0.704 CB 1.612 99 residues pruned to eliminate duplicates Z: 85 54.259 2.183 0.841 0.579 0.881 0.690 CB 1.550 85 residues pruned to eliminate duplicates Z: 79 65.249 2.252 0.995 0.570 0.936 0.679 CB 1.643 79 residues pruned to eliminate duplicates Z: 80 65.133 2.240 0.988 0.559 0.949 0.709 CB 1.636 80 residues pruned to eliminate duplicates Z: 98 68.040 2.227 0.903 0.577 0.948 0.660 CB 1.596 99 residues pruned to eliminate duplicates Z: 13 22.247 2.135 0.887 0.670 0.917 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 38 32.873 2.100 1.033 0.470 0.892 0.622 CB 1.463 38 residues pruned to eliminate duplicates Z: 87 59.988 2.219 0.895 0.586 0.919 0.628 CB 1.542 87 residues pruned to eliminate duplicates Z: 83 60.489 2.197 0.900 0.591 0.939 0.671 CB 1.561 83 residues pruned to eliminate duplicates Z: 32 43.930 2.244 1.109 0.552 0.968 0.645 CB 1.637 32 residues pruned to eliminate duplicates Z: 39 39.268 2.158 1.086 0.504 0.947 0.737 CB 1.487 39 residues pruned to eliminate duplicates Z: 34 41.319 2.226 1.057 0.545 0.939 0.667 CB 1.601 34 residues pruned to eliminate duplicates Z: 87 57.269 2.213 0.817 0.569 0.919 0.651 CB 1.563 87 residues pruned to eliminate duplicates Z: 37 36.207 2.070 1.058 0.472 0.944 0.694 CB 1.544 37 residues pruned to eliminate duplicates Z: 79 65.886 2.262 0.966 0.572 0.962 0.731 CB 1.627 79 residues pruned to eliminate duplicates Z: 37 41.312 2.209 1.003 0.527 0.944 0.611 CB 1.605 37 residues pruned to eliminate duplicates Z: 80 63.043 2.224 1.054 0.568 0.911 0.722 CB 1.595 80 residues pruned to eliminate duplicates Z: 132 77.733 2.215 0.949 0.589 0.924 0.733 CB 1.564 132 residues pruned to eliminate duplicates Z: 37 40.878 2.186 1.059 0.544 0.972 0.667 CB 1.490 37 residues pruned to eliminate duplicates Z: 61 50.322 2.168 0.972 0.536 0.933 0.650 CB 1.571 61 residues pruned to eliminate duplicates Z: 90 75.774 2.264 1.105 0.585 0.955 0.674 CB 1.627 90 residues pruned to eliminate duplicates Z: 42 52.076 2.265 1.158 0.566 0.927 0.707 CB 1.685 42 residues pruned to eliminate duplicates Z: 21 29.550 2.141 1.213 0.564 0.800 0.600 CB 1.638 21 residues pruned to eliminate duplicates Z: 83 60.159 2.230 0.831 0.612 0.927 0.720 CB 1.579 83 residues pruned to eliminate duplicates Z: 88 59.460 2.220 0.868 0.592 0.897 0.713 CB 1.570 88 residues pruned to eliminate duplicates Z: 6 6.354 2.008 0.230 0.454 1.000 0.600 CA 1.205 6 residues pruned to eliminate duplicates Z: 131 84.605 2.235 0.986 0.606 0.946 0.715 CB 1.597 131 residues pruned to eliminate duplicates Z: 82 57.737 2.199 0.864 0.596 0.914 0.667 CB 1.564 82 residues pruned to eliminate duplicates Z: 43 49.302 2.194 1.031 0.560 0.976 0.738 CB 1.650 43 residues pruned to eliminate duplicates Z: 59 39.296 2.173 0.717 0.562 0.879 0.672 CB 1.481 59 residues pruned to eliminate duplicates Z: 60 49.517 2.186 0.993 0.531 0.932 0.695 CB 1.540 60 residues pruned to eliminate duplicates Z: 85 55.074 2.173 0.911 0.574 0.917 0.667 CB 1.470 85 residues pruned to eliminate duplicates Z: 55 40.474 2.163 0.654 0.604 0.907 0.611 CB 1.537 55 residues pruned to eliminate duplicates Z: 89 57.016 2.189 0.860 0.566 0.898 0.614 CB 1.560 89 residues pruned to eliminate duplicates Z: 89 55.797 2.187 0.882 0.560 0.886 0.682 CB 1.538 89 residues pruned to eliminate duplicates Z: 41 39.030 2.184 0.672 0.640 0.950 0.725 CB 1.561 41 residues pruned to eliminate duplicates Z: 79 57.628 2.218 0.885 0.585 0.936 0.667 CB 1.537 79 residues pruned to eliminate duplicates Z: 84 58.239 2.197 0.883 0.560 0.940 0.687 CB 1.551 84 residues pruned to eliminate duplicates Z: 86 58.864 2.173 1.034 0.584 0.906 0.765 CB 1.472 86 residues pruned to eliminate duplicates Z: 92 57.558 2.149 0.880 0.563 0.934 0.637 CB 1.504 92 residues pruned to eliminate duplicates Z: 43 34.177 2.201 0.742 0.602 0.833 0.571 CB 1.498 43 residues pruned to eliminate duplicates Z: 132 80.924 2.225 0.939 0.595 0.916 0.702 CB 1.635 132 residues pruned to eliminate duplicates Z: 83 57.254 2.207 0.876 0.573 0.927 0.646 CB 1.535 83 residues pruned to eliminate duplicates Z: 46 38.330 2.181 0.822 0.615 0.889 0.622 CB 1.450 47 residues pruned to eliminate duplicates Z: 18 25.557 2.130 0.543 0.786 1.000 0.529 CB 1.467 18 residues pruned to eliminate duplicates Z: 40 39.345 2.209 0.788 0.655 0.949 0.615 CB 1.456 40 residues pruned to eliminate duplicates Z: 125 81.246 2.236 0.978 0.613 0.944 0.710 CB 1.572 125 residues pruned to eliminate duplicates Z: 89 57.151 2.190 0.932 0.558 0.898 0.682 CB 1.516 87 residues pruned to eliminate duplicates Z: 15 30.105 2.223 0.533 0.876 1.000 0.714 CB 1.716 15 residues pruned to eliminate duplicates Z: 56 38.282 2.200 0.734 0.597 0.818 0.618 CB 1.507 56 residues pruned to eliminate duplicates Z: 90 51.583 2.174 0.762 0.565 0.899 0.663 CB 1.490 90 residues pruned to eliminate duplicates Z: 57 44.784 2.195 0.848 0.591 0.893 0.714 CB 1.516 57 residues pruned to eliminate duplicates Z: 55 42.887 2.173 0.758 0.584 0.926 0.648 CB 1.523 55 residues pruned to eliminate duplicates Z: 134 73.664 2.180 0.897 0.577 0.925 0.639 CB 1.550 134 residues pruned to eliminate duplicates Z: 84 56.634 2.195 0.895 0.566 0.916 0.711 CB 1.531 84 residues pruned to eliminate duplicates Z: 47 38.342 2.160 0.744 0.601 0.891 0.587 CB 1.530 47 residues pruned to eliminate duplicates Z: 88 61.357 2.213 0.921 0.589 0.908 0.724 CB 1.566 88 residues pruned to eliminate duplicates Z: 79 58.386 2.223 0.888 0.586 0.936 0.654 CB 1.550 79 residues pruned to eliminate duplicates Z: 90 56.610 2.184 0.826 0.568 0.910 0.652 CB 1.549 90 residues pruned to eliminate duplicates Z: 48 34.639 2.154 0.736 0.581 0.851 0.702 CB 1.470 48 residues pruned to eliminate duplicates Z: 131 82.156 2.232 0.910 0.607 0.946 0.723 CB 1.614 131 residues pruned to eliminate duplicates Z: 84 58.351 2.191 0.938 0.579 0.916 0.651 CB 1.527 84 residues pruned to eliminate duplicates Z: 132 74.584 2.198 0.947 0.589 0.908 0.672 CB 1.539 132 residues pruned to eliminate duplicates Z: 41 41.552 2.185 0.838 0.641 0.925 0.675 CB 1.551 41 residues pruned to eliminate duplicates Z: 89 59.603 2.172 0.911 0.577 0.943 0.670 CB 1.507 89 residues pruned to eliminate duplicates Z: 44 44.937 2.241 0.774 0.647 0.977 0.628 CB 1.540 44 residues pruned to eliminate duplicates Z: 59 43.525 2.170 0.848 0.563 0.897 0.621 CB 1.496 59 residues pruned to eliminate duplicates Z: 100 61.916 2.196 0.903 0.582 0.909 0.677 CB 1.514 100 residues pruned to eliminate duplicates Z: 91 57.177 2.169 0.832 0.569 0.922 0.678 CB 1.538 91 residues pruned to eliminate duplicates Z: 131 78.669 2.224 0.867 0.600 0.946 0.708 CB 1.597 131 residues pruned to eliminate duplicates Z: 89 58.714 2.181 0.899 0.582 0.898 0.648 CB 1.556 89 residues pruned to eliminate duplicates Z: 85 63.040 2.194 0.924 0.603 0.952 0.714 CB 1.551 85 residues pruned to eliminate duplicates Z: 124 76.462 2.233 0.914 0.595 0.927 0.707 CB 1.589 124 residues pruned to eliminate duplicates Z: 84 61.789 2.190 0.948 0.604 0.928 0.723 CB 1.552 84 residues pruned to eliminate duplicates Z: 85 59.238 2.159 0.918 0.601 0.929 0.750 CB 1.528 85 residues pruned to eliminate duplicates Z: 32 24.979 1.969 0.578 0.413 0.968 0.355 CB 1.634 32 residues pruned to eliminate duplicates Z: 16 18.723 2.022 0.470 0.548 1.000 0.467 CB 1.551 16 residues pruned to eliminate duplicates Z: 34 30.634 2.144 0.655 0.512 0.939 0.576 CB 1.581 34 residues pruned to eliminate duplicates Z: 26 24.813 2.053 0.579 0.571 0.880 0.640 CB 1.625 26 residues pruned to eliminate duplicates Z: 33 32.791 2.138 0.629 0.526 0.969 0.531 CB 1.673 33 residues pruned to eliminate duplicates Z: 24 26.294 2.148 0.390 0.579 1.000 0.565 CB 1.702 24 residues pruned to eliminate duplicates Z: 28 25.578 2.078 0.503 0.544 0.926 0.593 CB 1.630 28 residues pruned to eliminate duplicates Z: 34 33.284 2.162 0.657 0.493 0.970 0.515 CB 1.679 34 residues pruned to eliminate duplicates Z: 84 50.646 2.165 0.744 0.592 0.916 0.590 CB 1.472 84 residues pruned to eliminate duplicates Z: 25 25.034 2.137 0.499 0.511 0.917 0.625 CB 1.722 25 residues pruned to eliminate duplicates Z: 33 30.016 2.158 0.626 0.513 0.875 0.531 CB 1.707 33 residues pruned to eliminate duplicates Z: 34 33.232 2.152 0.749 0.516 0.909 0.545 CB 1.664 34 residues pruned to eliminate duplicates Z: 32 33.721 2.182 0.625 0.502 0.968 0.548 CB 1.762 32 residues pruned to eliminate duplicates Z: 27 24.408 2.035 0.471 0.502 0.962 0.577 CB 1.660 27 residues pruned to eliminate duplicates Z: 32 36.572 2.207 0.695 0.553 0.968 0.613 CB 1.723 32 residues pruned to eliminate duplicates Z: 33 33.972 2.189 0.700 0.504 0.938 0.594 CB 1.715 33 residues pruned to eliminate duplicates Z: 33 32.757 2.165 0.663 0.534 0.938 0.562 CB 1.659 33 residues pruned to eliminate duplicates Z: 33 33.946 2.152 0.674 0.527 0.969 0.594 CB 1.674 33 residues pruned to eliminate duplicates Z: 18 25.500 2.194 1.002 0.449 0.941 0.529 CB 1.576 18 residues pruned to eliminate duplicates Z: 32 33.906 2.179 0.609 0.543 0.968 0.710 CB 1.721 32 residues pruned to eliminate duplicates Z: 9 18.547 2.040 0.639 0.701 1.000 0.625 C 1.632 9 residues pruned to eliminate duplicates Z: 16 37.224 2.314 1.143 0.559 1.000 0.667 CB 1.830 16 residues pruned to eliminate duplicates Z: 14 20.340 2.064 1.042 0.390 0.923 0.538 CA 1.629 14 residues pruned to eliminate duplicates Z: 12 23.239 2.153 1.345 0.470 0.909 0.727 CB 1.573 12 residues pruned to eliminate duplicates Z: 34 31.075 2.136 0.716 0.519 0.909 0.606 CB 1.593 34 residues pruned to eliminate duplicates Z: 32 29.251 2.141 0.594 0.481 0.968 0.548 CB 1.621 32 residues pruned to eliminate duplicates Z: 12 29.437 2.202 1.169 0.510 1.000 0.818 CB 1.840 12 residues pruned to eliminate duplicates Z: 18 36.953 2.268 1.116 0.573 0.941 0.706 CB 1.849 18 residues pruned to eliminate duplicates Z: 12 27.090 2.238 1.084 0.473 1.000 0.727 CB 1.799 12 residues pruned to eliminate duplicates Z: 12 26.599 2.166 1.059 0.533 1.000 0.727 CA 1.740 12 residues pruned to eliminate duplicates 380 residues left after pruning, divided into chains as follows: A: 33 B: 21 C: 24 D: 170 E: 132 CC for partial structure against native data = 43.91 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.461, Connect. = 0.695 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.730 for dens.mod. cycle 2 = 0.300, Contrast = 0.648, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.662, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.768 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.769 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.685, Connect. = 0.772 for dens.mod. cycle 8 = 0.300, Contrast = 0.688, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.773 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2847 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 627 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 52.775 2.468 1.103 0.847 1.000 0.733 CA 1.950 B: 15 38.268 2.287 0.918 0.879 1.000 0.929 CB 1.690 C: 17 48.088 2.451 1.116 0.811 1.000 0.688 CA 1.767 17 residues pruned to eliminate duplicates D: 15 32.743 2.305 0.714 0.876 0.929 0.714 CB 1.734 15 residues pruned to eliminate duplicates E: 16 35.810 2.355 0.882 0.815 0.933 0.800 CA 1.700 F: 18 44.429 2.316 1.153 0.835 0.941 0.529 CA 1.720 18 residues pruned to eliminate duplicates G: 44 50.382 2.360 0.930 0.572 0.930 0.605 CB 1.691 19 residues pruned to eliminate duplicates H: 18 43.010 2.318 0.951 0.856 1.000 0.706 CA 1.701 18 residues pruned to eliminate duplicates I: 42 23.416 2.002 0.518 0.509 0.902 0.610 CB 1.321 J: 17 26.646 2.257 0.571 0.801 0.875 0.562 CB 1.651 17 residues pruned to eliminate duplicates K: 15 32.048 2.300 0.785 0.881 0.929 0.929 CB 1.626 15 residues pruned to eliminate duplicates L: 18 27.286 2.219 0.585 0.762 0.941 0.647 CB 1.584 18 residues pruned to eliminate duplicates M: 16 35.493 2.184 1.006 0.887 1.000 0.800 CB 1.508 16 residues pruned to eliminate duplicates N: 16 29.428 2.349 0.757 0.758 0.867 0.733 CA 1.689 16 residues pruned to eliminate duplicates O: 32 33.348 2.164 0.582 0.543 1.000 0.548 CB 1.678 P: 13 20.998 2.233 0.757 0.429 1.000 0.667 CB 1.662 Q: 86 58.591 2.228 0.798 0.575 0.918 0.635 CB 1.608 47 residues pruned to eliminate duplicates R: 16 45.557 2.398 1.366 0.785 0.867 0.667 CA 1.862 16 residues pruned to eliminate duplicates S: 15 41.611 2.293 0.947 0.893 1.000 0.786 CB 1.788 15 residues pruned to eliminate duplicates T: 15 29.747 2.329 0.565 0.882 0.929 0.786 CA 1.700 15 residues pruned to eliminate duplicates U: 15 35.754 2.228 0.918 0.889 1.000 0.786 CB 1.610 15 residues pruned to eliminate duplicates V: 17 17.397 2.238 0.500 0.504 0.875 0.688 CB 1.474 17 residues pruned to eliminate duplicates W: 17 32.898 1.985 0.964 0.900 1.000 0.812 CB 1.507 17 residues pruned to eliminate duplicates X: 80 67.749 2.282 0.923 0.583 0.949 0.709 CB 1.690 16 residues pruned to eliminate duplicates Y: 16 36.151 2.161 0.868 0.904 1.000 0.733 CB 1.647 16 residues pruned to eliminate duplicates Z: 86 58.503 2.230 0.840 0.598 0.918 0.647 CB 1.535 86 residues pruned to eliminate duplicates Z: 45 51.805 2.294 0.893 0.605 0.955 0.795 CB 1.705 45 residues pruned to eliminate duplicates Z: 17 28.982 2.253 0.644 0.780 0.875 0.562 CA 1.747 17 residues pruned to eliminate duplicates Z: 34 33.069 2.145 0.602 0.534 0.970 0.576 CB 1.670 33 residues pruned to eliminate duplicates Z: 80 68.737 2.271 1.022 0.586 0.949 0.696 CB 1.633 80 residues pruned to eliminate duplicates Z: 13 18.443 2.208 0.792 0.496 0.917 0.833 CB 1.474 13 residues pruned to eliminate duplicates Z: 18 28.451 2.194 0.548 0.804 0.941 0.824 CA 1.655 18 residues pruned to eliminate duplicates Z: 18 40.446 2.376 0.893 0.810 0.941 0.647 CA 1.769 18 residues pruned to eliminate duplicates Z: 19 19.503 2.008 0.426 0.490 0.944 0.444 CB 1.717 19 residues pruned to eliminate duplicates Z: 48 41.971 2.176 0.911 0.513 0.915 0.638 CB 1.588 37 residues pruned to eliminate duplicates Z: 26 26.456 2.039 0.556 0.631 0.960 0.680 CB 1.536 26 residues pruned to eliminate duplicates Z: 33 28.582 2.141 0.509 0.544 0.969 0.562 CB 1.546 33 residues pruned to eliminate duplicates Z: 11 15.011 2.089 0.743 0.869 0.800 0.700 CB 1.190 11 residues pruned to eliminate duplicates Z: 7 13.493 2.047 0.232 0.855 1.000 0.667 C 1.612 7 residues pruned to eliminate duplicates Z: 47 53.657 2.268 1.039 0.634 0.913 0.717 CB 1.652 47 residues pruned to eliminate duplicates Z: 10 20.654 2.095 0.622 0.871 1.000 0.778 CB 1.477 10 residues pruned to eliminate duplicates Z: 17 35.350 2.131 0.903 0.851 1.000 0.688 CA 1.613 17 residues pruned to eliminate duplicates Z: 11 12.601 2.095 1.000 0.398 0.700 0.600 CB 1.513 Z: 9 17.196 1.872 0.932 0.852 1.000 0.500 CB 1.244 9 residues pruned to eliminate duplicates Z: 19 36.593 2.270 0.878 0.805 0.944 0.778 CA 1.641 19 residues pruned to eliminate duplicates Z: 44 56.597 2.314 1.038 0.639 0.907 0.674 CA 1.771 44 residues pruned to eliminate duplicates Z: 15 31.299 2.379 0.511 0.851 0.929 0.786 CB 1.855 15 residues pruned to eliminate duplicates Z: 89 56.779 2.193 0.764 0.567 0.932 0.636 CB 1.574 63 residues pruned to eliminate duplicates Z: 16 42.182 2.453 0.880 0.808 0.933 0.667 CB 1.935 16 residues pruned to eliminate duplicates Z: 17 26.771 2.028 0.719 0.883 1.000 0.438 CB 1.388 17 residues pruned to eliminate duplicates Z: 81 71.792 2.261 1.022 0.572 0.963 0.700 CB 1.702 81 residues pruned to eliminate duplicates Z: 53 49.772 2.198 0.863 0.600 0.942 0.654 CB 1.627 53 residues pruned to eliminate duplicates Z: 17 28.310 2.167 0.659 0.821 0.938 0.750 CA 1.590 17 residues pruned to eliminate duplicates Z: 30 22.371 2.146 0.492 0.486 0.966 0.517 CB 1.363 30 residues pruned to eliminate duplicates Z: 30 17.177 1.887 0.368 0.480 0.966 0.621 CB 1.306 30 residues pruned to eliminate duplicates Z: 6 11.163 2.156 0.386 0.807 0.800 0.800 CA 1.597 6 residues pruned to eliminate duplicates Z: 83 54.482 2.220 0.720 0.585 0.927 0.671 CB 1.567 83 residues pruned to eliminate duplicates Z: 17 31.809 2.132 0.705 0.806 1.000 0.625 CA 1.676 17 residues pruned to eliminate duplicates Z: 12 21.659 2.036 0.851 0.715 0.909 0.818 CA 1.570 Z: 12 21.699 2.146 1.000 0.461 1.000 0.636 CB 1.587 12 residues pruned to eliminate duplicates Z: 38 41.108 2.189 0.983 0.530 0.946 0.649 CB 1.598 38 residues pruned to eliminate duplicates Z: 10 20.993 2.200 0.406 0.887 1.000 0.444 CA 1.631 10 residues pruned to eliminate duplicates Z: 10 16.916 2.161 0.431 0.848 0.889 0.667 CB 1.522 10 residues pruned to eliminate duplicates Z: 87 67.814 2.308 0.976 0.581 0.907 0.709 CB 1.636 94 residues pruned to eliminate duplicates Z: 17 24.778 2.168 0.476 0.807 0.938 0.625 CA 1.580 Z: 15 33.386 2.359 0.644 0.818 0.929 0.714 CB 1.879 16 residues pruned to eliminate duplicates Z: 25 26.426 2.090 0.584 0.583 0.875 0.625 CB 1.720 25 residues pruned to eliminate duplicates Z: 133 72.701 2.212 0.833 0.599 0.902 0.659 CB 1.575 133 residues pruned to eliminate duplicates Z: 11 27.657 2.032 1.271 0.790 0.900 0.900 CB 1.632 11 residues pruned to eliminate duplicates Z: 40 28.876 2.133 0.487 0.501 0.974 0.538 CB 1.495 55 residues pruned to eliminate duplicates Z: 32 31.727 2.191 0.576 0.535 0.935 0.645 CB 1.704 32 residues pruned to eliminate duplicates Z: 81 66.772 2.263 0.902 0.581 0.963 0.762 CB 1.667 81 residues pruned to eliminate duplicates Z: 15 36.037 2.197 0.926 0.904 1.000 0.500 CB 1.621 15 residues pruned to eliminate duplicates Z: 23 22.675 1.944 0.863 0.611 0.864 0.727 CA 1.392 12 residues pruned to eliminate duplicates Z: 86 60.013 2.234 0.741 0.598 0.953 0.624 CB 1.600 61 residues pruned to eliminate duplicates Z: 10 19.960 2.210 0.273 0.911 1.000 0.667 CA 1.676 17 residues pruned to eliminate duplicates Z: 12 14.793 1.814 0.634 0.872 0.909 0.455 CB 1.207 12 residues pruned to eliminate duplicates Z: 37 38.501 2.222 0.969 0.520 0.917 0.639 CB 1.569 37 residues pruned to eliminate duplicates Z: 38 39.236 2.254 0.620 0.656 0.946 0.649 CB 1.615 38 residues pruned to eliminate duplicates Z: 11 16.342 1.940 0.481 0.846 1.000 0.700 CB 1.336 11 residues pruned to eliminate duplicates Z: 16 43.556 2.406 1.127 0.768 0.933 0.667 CB 1.856 16 residues pruned to eliminate duplicates Z: 16 35.307 2.211 0.756 0.890 1.000 0.800 CB 1.689 16 residues pruned to eliminate duplicates Z: 11 18.364 2.141 0.554 0.853 0.900 0.800 CA 1.434 11 residues pruned to eliminate duplicates Z: 26 23.765 2.101 0.567 0.534 0.840 0.560 CB 1.662 26 residues pruned to eliminate duplicates Z: 17 31.346 2.267 0.645 0.809 0.938 0.812 CB 1.713 17 residues pruned to eliminate duplicates Z: 12 17.027 2.276 0.629 0.450 0.909 0.545 CB 1.604 12 residues pruned to eliminate duplicates Z: 21 21.447 1.961 0.890 0.608 0.900 0.750 CA 1.298 21 residues pruned to eliminate duplicates Z: 132 81.835 2.281 0.861 0.600 0.939 0.656 CB 1.631 130 residues pruned to eliminate duplicates Z: 33 30.969 2.124 0.610 0.479 0.969 0.500 CB 1.688 33 residues pruned to eliminate duplicates Z: 20 24.577 2.121 0.705 0.478 0.947 0.632 CB 1.683 20 residues pruned to eliminate duplicates Z: 18 36.552 2.303 0.876 0.803 0.941 0.824 CA 1.673 18 residues pruned to eliminate duplicates Z: 32 34.795 2.188 0.731 0.508 0.968 0.516 CB 1.691 32 residues pruned to eliminate duplicates Z: 28 29.152 2.269 0.951 0.436 0.852 0.704 CB 1.589 28 residues pruned to eliminate duplicates Z: 15 38.579 2.302 0.772 0.847 1.000 0.714 CA 1.877 15 residues pruned to eliminate duplicates Z: 14 28.456 2.255 0.759 0.825 0.846 0.462 CA 1.775 14 residues pruned to eliminate duplicates Z: 30 43.625 2.287 0.925 0.675 0.931 0.759 CB 1.681 30 residues pruned to eliminate duplicates Z: 18 38.373 2.210 1.042 0.806 0.941 0.765 CA 1.678 18 residues pruned to eliminate duplicates Z: 33 44.467 2.219 1.102 0.584 0.969 0.719 CB 1.605 33 residues pruned to eliminate duplicates Z: 13 21.495 2.335 0.731 0.525 0.917 0.833 CA 1.635 13 residues pruned to eliminate duplicates Z: 44 56.256 2.292 1.035 0.643 0.953 0.721 CB 1.688 44 residues pruned to eliminate duplicates Z: 18 14.776 2.008 0.697 0.422 0.882 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 11 16.669 1.960 0.442 0.887 0.900 0.900 CB 1.495 11 residues pruned to eliminate duplicates Z: 10 19.720 2.013 0.585 0.881 1.000 0.889 CB 1.492 10 residues pruned to eliminate duplicates Z: 16 30.185 2.324 0.549 0.851 0.933 0.867 CB 1.717 16 residues pruned to eliminate duplicates Z: 126 84.111 2.310 0.903 0.612 0.928 0.664 CB 1.658 124 residues pruned to eliminate duplicates Z: 11 18.082 2.166 0.448 0.847 0.900 0.600 CA 1.504 11 residues pruned to eliminate duplicates Z: 16 28.245 2.147 0.745 0.812 0.933 0.667 CA 1.590 16 residues pruned to eliminate duplicates Z: 34 52.472 2.323 0.933 0.690 0.970 0.636 CA 1.763 34 residues pruned to eliminate duplicates Z: 12 16.277 1.768 0.407 0.876 1.000 0.727 CA 1.434 12 residues pruned to eliminate duplicates Z: 17 34.096 2.224 1.111 0.601 1.000 0.750 CB 1.649 17 residues pruned to eliminate duplicates Z: 49 52.263 2.287 0.967 0.610 0.917 0.708 CB 1.648 49 residues pruned to eliminate duplicates Z: 35 32.762 2.209 0.806 0.531 0.912 0.618 CB 1.499 35 residues pruned to eliminate duplicates Z: 49 42.596 2.176 1.011 0.453 0.938 0.708 CB 1.573 49 residues pruned to eliminate duplicates Z: 14 18.615 1.794 1.256 0.583 0.846 0.615 CA 1.391 12 residues pruned to eliminate duplicates Z: 6 5.738 1.812 -0.068 0.692 1.000 1.000 CB 1.276 6 residues pruned to eliminate duplicates Z: 30 39.094 2.253 0.876 0.561 0.931 0.724 CB 1.739 30 residues pruned to eliminate duplicates Z: 134 77.568 2.263 0.838 0.586 0.932 0.684 CB 1.598 133 residues pruned to eliminate duplicates Z: 34 21.516 2.028 0.573 0.505 0.848 0.455 CB 1.376 34 residues pruned to eliminate duplicates Z: 32 43.930 2.204 1.074 0.594 0.968 0.774 CB 1.630 32 residues pruned to eliminate duplicates Z: 12 12.739 1.968 0.465 0.484 0.909 0.545 CB 1.490 12 residues pruned to eliminate duplicates Z: 10 20.068 2.233 0.563 0.815 0.889 0.778 CA 1.641 10 residues pruned to eliminate duplicates Z: 61 38.896 2.127 0.757 0.559 0.917 0.617 CB 1.384 52 residues pruned to eliminate duplicates Z: 11 26.076 2.050 0.956 0.790 1.000 0.900 CB 1.594 14 residues pruned to eliminate duplicates Z: 16 19.520 2.215 0.526 0.514 1.000 0.733 CB 1.471 16 residues pruned to eliminate duplicates Z: 38 41.450 2.150 0.999 0.516 0.946 0.730 CB 1.649 38 residues pruned to eliminate duplicates Z: 21 29.757 1.995 0.916 0.707 0.950 0.900 CB 1.519 22 residues pruned to eliminate duplicates Z: 32 23.872 2.096 0.498 0.499 0.903 0.516 CB 1.513 32 residues pruned to eliminate duplicates Z: 6 8.630 2.196 1.288 0.433 0.800 0.600 CA 1.029 6 residues pruned to eliminate duplicates Z: 10 13.455 2.063 0.124 0.877 1.000 0.889 CB 1.405 10 residues pruned to eliminate duplicates Z: 16 22.300 2.204 0.768 0.469 0.933 0.733 CB 1.633 16 residues pruned to eliminate duplicates Z: 48 37.622 2.113 0.911 0.482 0.936 0.596 CB 1.479 48 residues pruned to eliminate duplicates Z: 115 81.473 2.320 0.931 0.580 0.947 0.684 CB 1.665 115 residues pruned to eliminate duplicates Z: 7 18.892 2.208 0.625 0.892 1.000 1.000 CB 1.544 7 residues pruned to eliminate duplicates Z: 47 30.373 2.099 0.570 0.582 0.891 0.674 CB 1.410 47 residues pruned to eliminate duplicates Z: 77 52.962 2.248 0.776 0.595 0.908 0.658 CB 1.531 77 residues pruned to eliminate duplicates Z: 21 24.202 2.114 0.876 0.487 0.900 0.550 CB 1.536 21 residues pruned to eliminate duplicates Z: 11 14.693 2.011 0.398 0.826 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 45 48.026 2.280 0.795 0.610 0.932 0.705 CB 1.711 45 residues pruned to eliminate duplicates Z: 89 54.691 2.185 0.765 0.559 0.943 0.716 CB 1.514 89 residues pruned to eliminate duplicates Z: 11 28.819 2.074 1.115 0.774 1.000 0.900 CA 1.631 11 residues pruned to eliminate duplicates Z: 32 39.278 2.179 0.765 0.570 1.000 0.645 CB 1.714 32 residues pruned to eliminate duplicates Z: 11 9.295 1.941 0.334 0.658 0.900 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 11 15.465 2.048 0.594 0.875 0.900 0.800 CB 1.211 11 residues pruned to eliminate duplicates Z: 11 26.911 2.226 1.123 0.514 1.000 0.700 CB 1.775 11 residues pruned to eliminate duplicates Z: 16 32.051 2.191 0.637 0.896 1.000 0.867 CB 1.652 16 residues pruned to eliminate duplicates Z: 127 81.367 2.271 0.895 0.603 0.944 0.706 CB 1.617 134 residues pruned to eliminate duplicates Z: 49 51.111 2.292 0.843 0.606 0.938 0.667 CB 1.684 49 residues pruned to eliminate duplicates Z: 129 80.143 2.274 0.855 0.603 0.945 0.633 CB 1.610 129 residues pruned to eliminate duplicates Z: 23 38.513 2.202 1.045 0.610 0.955 0.773 CB 1.721 23 residues pruned to eliminate duplicates Z: 15 33.058 2.267 0.810 0.855 0.929 0.500 CA 1.711 15 residues pruned to eliminate duplicates Z: 9 17.062 2.105 0.358 0.894 1.000 0.875 CB 1.514 9 residues pruned to eliminate duplicates Z: 89 57.231 2.193 0.799 0.580 0.932 0.705 CB 1.537 89 residues pruned to eliminate duplicates Z: 34 37.051 2.207 0.904 0.481 0.970 0.727 CB 1.613 34 residues pruned to eliminate duplicates Z: 50 53.452 2.309 0.937 0.575 0.939 0.673 CB 1.693 50 residues pruned to eliminate duplicates Z: 15 30.706 2.299 0.622 0.877 0.929 0.786 CB 1.721 15 residues pruned to eliminate duplicates Z: 26 24.755 2.093 0.514 0.542 0.920 0.600 CB 1.630 26 residues pruned to eliminate duplicates Z: 44 45.823 2.270 0.816 0.586 0.977 0.674 CB 1.597 44 residues pruned to eliminate duplicates Z: 22 22.315 1.949 0.825 0.628 0.857 0.762 CB 1.415 22 residues pruned to eliminate duplicates Z: 31 24.203 2.121 0.498 0.464 0.933 0.600 CB 1.545 31 residues pruned to eliminate duplicates Z: 17 27.320 2.083 0.798 0.803 0.875 0.812 CB 1.600 17 residues pruned to eliminate duplicates Z: 83 51.521 2.150 0.730 0.559 0.939 0.683 CB 1.538 83 residues pruned to eliminate duplicates Z: 14 18.113 2.161 1.016 0.505 0.769 0.615 CA 1.491 14 residues pruned to eliminate duplicates Z: 11 14.739 1.978 0.666 0.842 0.900 0.600 CB 1.171 11 residues pruned to eliminate duplicates Z: 6 13.383 2.032 0.323 0.821 1.000 0.800 CA 1.685 6 residues pruned to eliminate duplicates Z: 46 54.429 2.353 0.989 0.606 0.956 0.667 CB 1.641 46 residues pruned to eliminate duplicates Z: 117 78.101 2.289 0.802 0.580 0.957 0.664 CB 1.701 117 residues pruned to eliminate duplicates Z: 12 16.779 1.859 0.400 0.854 1.000 0.636 CB 1.436 12 residues pruned to eliminate duplicates Z: 6 3.486 1.437 0.284 0.741 1.000 0.800 CB 0.681 6 residues pruned to eliminate duplicates Z: 23 22.941 1.887 0.946 0.614 0.909 0.682 CB 1.316 22 residues pruned to eliminate duplicates Z: 116 72.012 2.253 0.877 0.567 0.922 0.678 CB 1.615 116 residues pruned to eliminate duplicates Z: 13 15.671 1.766 0.407 0.818 1.000 0.583 CB 1.381 13 residues pruned to eliminate duplicates Z: 7 15.198 2.290 0.902 0.507 0.833 0.667 C 1.698 7 residues pruned to eliminate duplicates Z: 102 62.761 2.221 0.813 0.584 0.911 0.644 CB 1.571 102 residues pruned to eliminate duplicates Z: 34 36.345 2.191 0.872 0.522 0.939 0.667 CB 1.608 34 residues pruned to eliminate duplicates Z: 7 10.697 1.961 0.394 0.846 0.833 0.333 CB 1.424 7 residues pruned to eliminate duplicates Z: 10 25.494 2.232 1.068 0.543 1.000 0.667 CB 1.765 10 residues pruned to eliminate duplicates Z: 14 11.671 1.769 0.607 0.762 0.923 0.692 CB 0.978 14 residues pruned to eliminate duplicates Z: 7 11.386 2.041 0.466 0.737 0.833 0.833 CA 1.506 7 residues pruned to eliminate duplicates Z: 46 55.035 2.333 0.978 0.619 0.933 0.600 CB 1.702 46 residues pruned to eliminate duplicates Z: 21 26.268 1.974 0.873 0.657 0.950 0.800 CB 1.445 21 residues pruned to eliminate duplicates Z: 49 50.876 2.258 0.988 0.601 0.875 0.729 CB 1.697 49 residues pruned to eliminate duplicates Z: 16 32.713 2.341 0.751 0.802 0.933 0.733 CB 1.696 16 residues pruned to eliminate duplicates Z: 80 65.306 2.280 0.877 0.579 0.949 0.747 CB 1.676 80 residues pruned to eliminate duplicates Z: 96 66.899 2.275 0.851 0.590 0.947 0.632 CB 1.578 96 residues pruned to eliminate duplicates Z: 35 44.290 2.207 0.880 0.563 1.000 0.735 CB 1.721 35 residues pruned to eliminate duplicates Z: 11 16.472 2.084 0.797 0.846 0.800 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 32 40.965 2.213 1.040 0.551 0.968 0.742 CB 1.603 32 residues pruned to eliminate duplicates Z: 12 20.351 1.937 1.173 0.629 0.909 0.818 CA 1.421 Z: 9 12.855 2.012 0.751 0.576 0.875 0.750 CB 1.370 9 residues pruned to eliminate duplicates Z: 13 18.267 1.900 1.086 0.657 0.917 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 6 8.516 1.682 0.733 0.782 0.800 0.400 CA 1.273 6 residues pruned to eliminate duplicates Z: 13 14.249 1.847 0.366 0.817 0.917 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 18 30.277 2.245 0.755 0.813 0.882 0.765 CB 1.609 18 residues pruned to eliminate duplicates Z: 81 69.135 2.284 0.956 0.564 0.963 0.750 CB 1.690 81 residues pruned to eliminate duplicates Z: 13 19.370 1.807 1.246 0.662 0.917 0.833 CA 1.293 13 residues pruned to eliminate duplicates Z: 32 38.193 2.189 0.761 0.579 0.968 0.645 CB 1.704 32 residues pruned to eliminate duplicates Z: 17 36.676 2.400 0.717 0.808 1.000 0.750 CA 1.701 17 residues pruned to eliminate duplicates Z: 107 63.709 2.179 0.842 0.573 0.925 0.651 CB 1.554 106 residues pruned to eliminate duplicates Z: 35 35.756 2.245 0.670 0.573 0.971 0.618 CB 1.571 35 residues pruned to eliminate duplicates Z: 16 30.873 2.343 0.628 0.814 0.933 0.733 CB 1.705 16 residues pruned to eliminate duplicates Z: 96 60.787 2.250 0.789 0.565 0.916 0.663 CB 1.588 96 residues pruned to eliminate duplicates Z: 23 27.043 1.993 0.804 0.631 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 17 12.303 2.054 0.532 0.349 0.812 0.562 CB 1.416 17 residues pruned to eliminate duplicates Z: 16 23.316 2.250 0.849 0.573 0.800 0.533 CB 1.686 16 residues pruned to eliminate duplicates Z: 26 17.547 1.853 0.682 0.511 0.920 0.560 CB 1.210 26 residues pruned to eliminate duplicates Z: 38 23.059 2.070 0.593 0.438 0.838 0.541 CB 1.463 38 residues pruned to eliminate duplicates Z: 12 21.745 2.300 0.417 0.930 0.909 0.909 CA 1.548 12 residues pruned to eliminate duplicates Z: 13 14.559 1.887 0.204 0.858 0.917 0.833 CB 1.485 13 residues pruned to eliminate duplicates Z: 10 35.990 2.197 1.327 0.876 1.000 0.889 CA 1.706 10 residues pruned to eliminate duplicates Z: 50 48.986 2.213 0.921 0.607 0.959 0.633 CB 1.550 50 residues pruned to eliminate duplicates Z: 14 20.632 2.075 0.881 0.560 0.923 0.615 CB 1.498 14 residues pruned to eliminate duplicates Z: 20 31.930 2.261 0.694 0.735 0.947 0.737 CB 1.634 21 residues pruned to eliminate duplicates Z: 127 82.702 2.294 0.868 0.593 0.944 0.643 CB 1.665 128 residues pruned to eliminate duplicates Z: 32 45.036 2.214 1.121 0.596 0.968 0.774 CB 1.623 32 residues pruned to eliminate duplicates Z: 51 39.095 2.253 0.715 0.602 0.880 0.640 CB 1.475 51 residues pruned to eliminate duplicates Z: 16 26.022 2.174 0.528 0.801 0.933 0.800 CA 1.666 16 residues pruned to eliminate duplicates Z: 32 48.934 2.288 0.921 0.692 0.968 0.774 CB 1.734 32 residues pruned to eliminate duplicates Z: 81 62.466 2.275 0.836 0.564 0.950 0.688 CB 1.653 81 residues pruned to eliminate duplicates Z: 42 32.273 2.122 0.524 0.604 0.927 0.610 CB 1.523 38 residues pruned to eliminate duplicates Z: 18 27.540 2.160 0.705 0.769 0.882 0.647 CB 1.619 18 residues pruned to eliminate duplicates Z: 16 21.214 2.301 0.216 0.763 0.867 0.733 CA 1.789 16 residues pruned to eliminate duplicates Z: 13 13.358 1.925 0.265 0.782 0.917 0.667 CB 1.348 13 residues pruned to eliminate duplicates Z: 15 28.529 2.291 0.840 0.769 0.929 0.571 CB 1.535 15 residues pruned to eliminate duplicates Z: 25 22.932 1.892 0.661 0.628 1.000 0.708 CB 1.320 25 residues pruned to eliminate duplicates Z: 17 22.930 1.982 0.486 0.872 0.938 0.750 CB 1.513 17 residues pruned to eliminate duplicates Z: 11 13.278 2.028 0.769 0.863 0.800 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 53 39.483 2.243 0.682 0.594 0.904 0.615 CB 1.468 53 residues pruned to eliminate duplicates Z: 46 53.338 2.301 0.903 0.615 0.956 0.689 CB 1.704 45 residues pruned to eliminate duplicates Z: 11 24.163 2.335 0.863 0.492 1.000 0.700 CB 1.770 11 residues pruned to eliminate duplicates Z: 60 42.794 2.201 0.723 0.599 0.915 0.627 CB 1.460 60 residues pruned to eliminate duplicates Z: 84 47.963 2.176 0.690 0.565 0.916 0.590 CB 1.467 84 residues pruned to eliminate duplicates Z: 11 15.851 1.995 0.655 0.893 0.900 0.600 CB 1.211 11 residues pruned to eliminate duplicates Z: 11 17.670 1.983 0.682 0.866 1.000 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 19 31.423 2.160 0.541 0.793 1.000 0.778 CA 1.721 19 residues pruned to eliminate duplicates Z: 7 13.000 1.964 0.299 0.881 1.000 0.833 C 1.507 7 residues pruned to eliminate duplicates Z: 11 16.727 1.980 0.785 0.877 0.900 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 21 26.432 2.201 0.503 0.508 1.000 0.600 C 1.772 21 residues pruned to eliminate duplicates Z: 15 14.894 1.958 0.384 0.542 0.929 0.500 CB 1.518 15 residues pruned to eliminate duplicates Z: 31 37.049 2.187 0.815 0.575 0.967 0.800 CB 1.639 31 residues pruned to eliminate duplicates Z: 48 52.127 2.292 0.886 0.620 0.957 0.702 CB 1.641 48 residues pruned to eliminate duplicates Z: 16 30.189 2.273 0.595 0.784 1.000 0.667 CA 1.674 16 residues pruned to eliminate duplicates Z: 32 42.058 2.246 0.981 0.572 0.968 0.774 CB 1.637 32 residues pruned to eliminate duplicates Z: 6 3.874 1.415 0.309 0.803 1.000 0.600 CB 0.718 6 residues pruned to eliminate duplicates Z: 79 55.152 2.230 0.786 0.558 0.949 0.641 CB 1.562 79 residues pruned to eliminate duplicates Z: 32 53.827 2.371 0.977 0.661 0.968 0.677 CA 1.836 32 residues pruned to eliminate duplicates Z: 7 8.294 1.796 0.462 0.729 0.833 0.667 CA 1.259 7 residues pruned to eliminate duplicates Z: 16 24.896 2.043 0.826 0.884 0.800 0.733 CB 1.556 16 residues pruned to eliminate duplicates Z: 23 27.975 2.145 0.790 0.546 1.000 0.773 CB 1.486 23 residues pruned to eliminate duplicates Z: 20 27.738 2.277 0.439 0.570 0.947 0.737 CA 1.916 20 residues pruned to eliminate duplicates Z: 32 20.319 2.043 0.555 0.503 0.871 0.645 CB 1.315 32 residues pruned to eliminate duplicates Z: 41 35.792 2.150 0.746 0.630 0.900 0.625 CB 1.483 41 residues pruned to eliminate duplicates Z: 46 53.765 2.353 0.931 0.579 0.956 0.644 CB 1.712 46 residues pruned to eliminate duplicates Z: 59 39.724 2.185 0.730 0.556 0.879 0.655 CB 1.487 59 residues pruned to eliminate duplicates Z: 6 8.486 1.705 0.249 0.842 1.000 1.000 CA 1.328 6 residues pruned to eliminate duplicates Z: 74 55.600 2.211 0.898 0.564 0.959 0.726 CB 1.520 74 residues pruned to eliminate duplicates Z: 11 21.019 1.974 0.710 0.839 1.000 0.600 CA 1.471 11 residues pruned to eliminate duplicates Z: 24 20.815 1.911 0.650 0.651 0.957 0.739 CB 1.250 24 residues pruned to eliminate duplicates Z: 34 39.203 2.200 0.954 0.544 0.939 0.636 CB 1.618 34 residues pruned to eliminate duplicates Z: 7 9.646 1.860 0.762 0.724 0.833 0.500 CA 1.178 7 residues pruned to eliminate duplicates Z: 106 66.483 2.220 0.866 0.561 0.933 0.686 CB 1.581 106 residues pruned to eliminate duplicates Z: 12 17.551 1.867 0.592 0.889 0.818 0.545 CB 1.566 12 residues pruned to eliminate duplicates Z: 51 48.580 2.242 1.006 0.541 0.940 0.760 CB 1.562 51 residues pruned to eliminate duplicates Z: 22 26.933 2.219 0.693 0.521 0.905 0.762 CA 1.692 22 residues pruned to eliminate duplicates Z: 18 27.763 2.149 0.813 0.802 0.941 0.647 CA 1.410 18 residues pruned to eliminate duplicates Z: 25 20.168 1.895 0.799 0.506 0.875 0.667 CB 1.373 25 residues pruned to eliminate duplicates Z: 25 28.144 2.088 0.607 0.607 0.917 0.458 CB 1.687 25 residues pruned to eliminate duplicates Z: 18 36.509 2.237 0.931 0.775 0.941 0.647 CB 1.709 20 residues pruned to eliminate duplicates Z: 79 56.640 2.261 0.801 0.604 0.936 0.731 CB 1.525 79 residues pruned to eliminate duplicates Z: 13 18.062 1.919 0.407 0.848 0.917 0.750 CB 1.563 13 residues pruned to eliminate duplicates Z: 19 33.430 2.199 0.795 0.776 1.000 0.667 CA 1.563 19 residues pruned to eliminate duplicates 6 1.439 1.651 0.257 0.469 0.600 0.400 CB 0.533 ? Z: 43 42.246 2.223 0.876 0.472 0.952 0.619 CB 1.689 43 residues pruned to eliminate duplicates Z: 133 79.567 2.238 0.907 0.591 0.939 0.682 CB 1.583 132 residues pruned to eliminate duplicates Z: 23 23.596 1.964 0.672 0.592 1.000 0.727 CA 1.403 23 residues pruned to eliminate duplicates Z: 6 5.289 1.594 0.165 0.821 1.000 1.000 CA 0.964 6 residues pruned to eliminate duplicates Z: 95 53.665 2.247 0.703 0.570 0.872 0.596 CB 1.549 95 residues pruned to eliminate duplicates Z: 20 21.696 2.118 0.776 0.485 0.842 0.579 CB 1.596 20 residues pruned to eliminate duplicates Z: 7 4.437 1.656 0.346 0.249 0.833 0.333 C 1.302 7 residues pruned to eliminate duplicates Z: 53 45.747 2.187 0.931 0.527 0.942 0.788 CB 1.552 53 residues pruned to eliminate duplicates Z: 14 18.961 1.803 0.630 0.869 0.923 0.538 CB 1.415 14 residues pruned to eliminate duplicates Z: 6 5.841 1.813 0.432 0.609 0.800 0.600 CA 1.134 6 residues pruned to eliminate duplicates Z: 32 56.616 2.358 1.084 0.693 0.968 0.677 CB 1.792 32 residues pruned to eliminate duplicates Z: 47 39.051 2.178 0.815 0.595 0.848 0.630 CB 1.569 47 residues pruned to eliminate duplicates Z: 16 29.980 2.297 0.561 0.848 0.933 0.933 CB 1.716 16 residues pruned to eliminate duplicates Z: 12 12.722 2.003 0.618 0.389 0.909 0.545 CB 1.465 12 residues pruned to eliminate duplicates Z: 27 21.927 1.819 0.919 0.529 0.923 0.615 CB 1.297 27 residues pruned to eliminate duplicates Z: 17 41.803 2.407 0.850 0.835 1.000 0.750 CA 1.758 17 residues pruned to eliminate duplicates Z: 23 22.384 1.984 0.775 0.603 0.909 0.818 CB 1.352 23 residues pruned to eliminate duplicates Z: 17 32.073 2.285 0.638 0.830 0.938 0.812 CA 1.718 17 residues pruned to eliminate duplicates Z: 20 21.642 2.089 0.413 0.785 0.842 0.684 CA 1.554 20 residues pruned to eliminate duplicates Z: 20 49.292 2.381 1.096 0.759 1.000 0.632 CA 1.800 20 residues pruned to eliminate duplicates Z: 12 23.802 2.196 0.939 0.400 1.000 0.636 CB 1.872 12 residues pruned to eliminate duplicates Z: 45 63.387 2.324 1.027 0.689 0.977 0.659 CB 1.746 45 residues pruned to eliminate duplicates Z: 80 54.189 2.211 0.837 0.565 0.899 0.696 CB 1.568 80 residues pruned to eliminate duplicates Z: 10 30.264 2.224 1.412 0.777 0.889 0.889 CA 1.658 9 residues pruned to eliminate duplicates Z: 83 58.494 2.214 0.869 0.569 0.939 0.683 CB 1.555 83 residues pruned to eliminate duplicates Z: 21 22.003 2.258 0.617 0.504 0.950 0.750 CB 1.413 21 residues pruned to eliminate duplicates Z: 18 18.238 2.053 0.797 0.420 0.882 0.706 CB 1.477 18 residues pruned to eliminate duplicates Z: 12 11.584 1.798 0.311 0.787 0.909 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 12 14.644 2.034 0.865 0.398 0.909 0.636 CA 1.426 12 residues pruned to eliminate duplicates Z: 72 53.676 2.256 0.771 0.554 0.930 0.704 CB 1.626 72 residues pruned to eliminate duplicates Z: 38 28.042 2.131 0.748 0.434 0.919 0.568 CB 1.441 38 residues pruned to eliminate duplicates Z: 17 17.810 2.125 0.729 0.414 0.938 0.375 CB 1.414 17 residues pruned to eliminate duplicates Z: 40 44.242 2.229 0.902 0.619 0.897 0.590 CB 1.664 40 residues pruned to eliminate duplicates Z: 24 33.230 2.166 1.004 0.588 0.913 0.739 CB 1.607 24 residues pruned to eliminate duplicates Z: 27 19.322 2.065 0.468 0.443 0.885 0.615 CB 1.498 27 residues pruned to eliminate duplicates Z: 15 12.115 1.596 0.680 0.602 0.857 0.786 CB 1.279 15 residues pruned to eliminate duplicates Z: 12 16.550 1.973 0.447 0.808 0.909 0.636 CB 1.469 12 residues pruned to eliminate duplicates Z: 21 23.307 2.215 0.907 0.488 0.850 0.700 CA 1.470 21 residues pruned to eliminate duplicates Z: 21 22.612 2.151 0.453 0.500 0.900 0.600 CA 1.798 21 residues pruned to eliminate duplicates Z: 81 58.234 2.270 0.857 0.536 0.913 0.725 CB 1.634 81 residues pruned to eliminate duplicates Z: 33 30.201 2.134 0.609 0.511 0.969 0.531 CB 1.588 33 residues pruned to eliminate duplicates Z: 47 45.103 2.234 0.702 0.676 0.978 0.717 CB 1.520 47 residues pruned to eliminate duplicates Z: 10 13.745 1.886 0.759 0.668 0.889 0.667 CA 1.331 10 residues pruned to eliminate duplicates Z: 44 56.995 2.286 1.079 0.668 0.930 0.744 CB 1.682 44 residues pruned to eliminate duplicates Z: 58 52.395 2.257 0.964 0.518 0.930 0.807 CB 1.653 58 residues pruned to eliminate duplicates Z: 25 42.067 2.175 0.968 0.706 1.000 0.792 CA 1.663 25 residues pruned to eliminate duplicates Z: 10 4.281 1.662 -0.035 0.358 0.889 0.444 N 1.166 Z: 48 48.846 2.241 0.961 0.550 0.957 0.809 CB 1.613 48 residues pruned to eliminate duplicates Z: 11 20.656 2.256 0.581 0.692 0.900 0.700 CB 1.707 11 residues pruned to eliminate duplicates Z: 80 61.375 2.239 0.840 0.584 0.949 0.684 CB 1.628 80 residues pruned to eliminate duplicates Z: 23 19.881 1.869 0.830 0.614 0.909 0.773 CB 1.224 23 residues pruned to eliminate duplicates Z: 7 4.831 1.650 0.050 0.688 0.833 0.667 CB 1.150 Z: 73 54.288 2.174 0.921 0.556 0.958 0.708 CB 1.513 73 residues pruned to eliminate duplicates Z: 16 21.285 2.148 0.505 0.837 0.800 0.667 CA 1.590 16 residues pruned to eliminate duplicates Z: 12 17.749 2.167 0.749 0.477 0.909 0.909 CB 1.590 12 residues pruned to eliminate duplicates Z: 8 8.076 1.811 0.590 0.550 0.857 0.571 CB 1.178 8 residues pruned to eliminate duplicates Z: 10 18.518 1.885 0.874 0.852 1.000 0.667 CA 1.292 10 residues pruned to eliminate duplicates Z: 7 3.969 1.586 0.289 0.409 0.667 0.500 CB 1.308 7 residues pruned to eliminate duplicates Z: 100 65.237 2.252 0.840 0.566 0.919 0.687 CB 1.616 100 residues pruned to eliminate duplicates Z: 35 35.334 2.186 0.827 0.517 0.941 0.794 CB 1.585 35 residues pruned to eliminate duplicates Z: 6 15.996 2.098 0.676 0.857 1.000 0.600 CA 1.499 6 residues pruned to eliminate duplicates Z: 30 25.649 2.257 0.430 0.447 0.931 0.586 CB 1.674 30 residues pruned to eliminate duplicates Z: 35 30.233 2.034 0.962 0.429 0.882 0.471 CB 1.585 35 residues pruned to eliminate duplicates Z: 10 15.185 2.097 0.599 0.869 0.889 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 21 24.181 1.935 0.910 0.648 0.900 0.750 CA 1.416 21 residues pruned to eliminate duplicates Z: 12 10.370 1.784 0.665 0.529 0.818 0.636 CB 1.251 11 residues pruned to eliminate duplicates Z: 9 14.027 1.874 0.734 0.696 1.000 0.750 CA 1.276 9 residues pruned to eliminate duplicates Z: 30 19.828 2.106 0.709 0.417 0.897 0.690 CB 1.245 30 residues pruned to eliminate duplicates Z: 19 32.679 2.311 0.808 0.557 1.000 0.722 CB 1.744 19 residues pruned to eliminate duplicates Z: 29 32.315 2.351 0.511 0.495 1.000 0.643 CB 1.728 29 residues pruned to eliminate duplicates Z: 7 3.334 1.519 0.568 0.283 0.833 0.667 CB 0.876 Z: 63 39.468 2.154 0.652 0.558 0.935 0.565 CB 1.423 63 residues pruned to eliminate duplicates Z: 8 4.164 1.744 0.514 0.301 0.714 0.429 CB 1.042 8 residues pruned to eliminate duplicates Z: 35 40.980 2.240 0.795 0.610 0.971 0.735 CB 1.623 35 residues pruned to eliminate duplicates Z: 11 8.718 1.706 0.580 0.532 1.000 0.700 CA 0.990 11 residues pruned to eliminate duplicates Z: 29 26.955 2.071 0.570 0.587 1.000 0.571 CB 1.442 29 residues pruned to eliminate duplicates Z: 32 37.542 2.208 0.858 0.581 0.968 0.839 CB 1.571 32 residues pruned to eliminate duplicates Z: 8 4.653 1.739 0.430 0.268 0.714 0.429 CA 1.288 8 residues pruned to eliminate duplicates Z: 12 20.304 2.118 0.350 0.846 1.000 1.000 CA 1.591 12 residues pruned to eliminate duplicates Z: 10 20.685 2.039 1.064 0.496 1.000 0.556 CA 1.646 10 residues pruned to eliminate duplicates Z: 14 7.278 1.756 0.570 0.450 0.846 0.615 CB 0.911 39 residues pruned to eliminate duplicates Z: 52 46.920 2.172 0.943 0.595 0.922 0.647 CB 1.542 52 residues pruned to eliminate duplicates Z: 6 3.405 1.625 -0.015 0.711 1.000 0.800 CB 0.786 Z: 85 54.846 2.162 0.841 0.571 0.929 0.631 CB 1.512 85 residues pruned to eliminate duplicates Z: 32 22.172 2.046 0.394 0.464 0.935 0.645 CB 1.548 32 residues pruned to eliminate duplicates Z: 15 6.401 1.639 0.278 0.521 0.857 0.571 CB 0.933 15 residues pruned to eliminate duplicates Z: 92 72.432 2.216 0.988 0.591 0.967 0.802 CB 1.634 92 residues pruned to eliminate duplicates Z: 30 32.075 2.122 0.851 0.543 0.931 0.724 CB 1.561 30 residues pruned to eliminate duplicates Z: 62 45.117 2.145 0.898 0.519 0.934 0.754 CB 1.490 62 residues pruned to eliminate duplicates Z: 9 12.738 1.904 0.590 0.754 1.000 0.875 CB 1.187 Z: 10 16.143 1.950 0.689 0.880 1.000 0.444 CB 1.184 10 residues pruned to eliminate duplicates Z: 35 45.556 2.324 0.852 0.597 0.941 0.618 CB 1.759 35 residues pruned to eliminate duplicates Z: 18 33.077 2.208 0.893 0.604 1.000 0.765 CB 1.739 18 residues pruned to eliminate duplicates Z: 26 22.372 1.877 0.849 0.547 0.920 0.680 CA 1.339 26 residues pruned to eliminate duplicates Z: 9 2.889 1.240 0.823 0.274 0.750 0.375 CB 0.778 Z: 11 11.368 1.799 0.564 0.654 1.000 0.600 CB 1.107 7 residues pruned to eliminate duplicates Z: 6 5.417 1.569 -0.010 0.789 1.000 0.800 CA 1.210 6 residues pruned to eliminate duplicates Z: 6 3.109 1.411 0.263 0.462 0.800 0.600 CB 1.013 6 residues pruned to eliminate duplicates Z: 15 22.221 2.151 0.697 0.687 0.929 0.714 CA 1.477 15 residues pruned to eliminate duplicates Z: 8 4.498 1.458 0.441 0.666 0.714 0.429 CB 0.971 8 residues pruned to eliminate duplicates Z: 48 38.373 2.208 0.700 0.545 0.936 0.681 CB 1.524 48 residues pruned to eliminate duplicates Z: 16 27.128 2.140 0.467 0.835 1.000 0.800 CA 1.671 16 residues pruned to eliminate duplicates Z: 11 18.645 2.054 0.813 0.631 0.900 0.600 CB 1.556 11 residues pruned to eliminate duplicates Z: 11 11.533 1.743 0.457 0.674 1.000 0.800 CB 1.223 9 residues pruned to eliminate duplicates Z: 8 3.324 1.280 0.492 0.440 0.714 0.571 C 0.979 Z: 13 13.714 1.765 0.592 0.775 0.917 0.750 CA 1.205 13 residues pruned to eliminate duplicates Z: 15 28.488 2.293 0.519 0.874 0.929 0.929 CB 1.712 15 residues pruned to eliminate duplicates Z: 14 34.051 2.291 0.796 0.908 0.923 0.769 CB 1.766 14 residues pruned to eliminate duplicates Z: 7 2.859 1.394 -0.184 0.434 1.000 0.833 N 1.097 Z: 32 29.034 2.050 0.531 0.549 1.000 0.548 CB 1.583 32 residues pruned to eliminate duplicates Z: 18 6.802 1.579 0.472 0.424 0.765 0.588 CB 1.005 18 residues pruned to eliminate duplicates Z: 25 26.452 2.202 0.685 0.549 0.917 0.750 CB 1.512 25 residues pruned to eliminate duplicates Z: 12 17.557 1.900 1.076 0.554 0.909 0.636 CB 1.401 12 residues pruned to eliminate duplicates Z: 66 35.646 2.164 0.572 0.541 0.908 0.662 CB 1.375 66 residues pruned to eliminate duplicates Z: 94 64.756 2.260 0.874 0.573 0.935 0.753 CB 1.579 94 residues pruned to eliminate duplicates Z: 10 19.695 1.912 0.741 0.913 1.000 0.778 CB 1.396 10 residues pruned to eliminate duplicates Z: 24 20.150 1.925 0.591 0.632 0.957 0.783 CB 1.266 24 residues pruned to eliminate duplicates Z: 26 37.447 2.227 0.941 0.602 0.960 0.800 CB 1.638 26 residues pruned to eliminate duplicates Z: 7 6.345 1.577 0.751 0.655 0.667 0.667 N 1.218 7 residues pruned to eliminate duplicates Z: 42 30.706 2.139 0.553 0.609 0.854 0.585 CB 1.525 42 residues pruned to eliminate duplicates Z: 10 21.092 2.183 0.469 0.868 1.000 0.667 CA 1.602 10 residues pruned to eliminate duplicates Z: 44 51.812 2.335 0.939 0.620 0.884 0.698 CB 1.763 44 residues pruned to eliminate duplicates Z: 11 29.086 1.975 1.116 0.859 1.000 1.000 CA 1.619 Z: 46 47.382 2.257 0.805 0.616 0.933 0.667 CB 1.664 46 residues pruned to eliminate duplicates Z: 12 19.412 2.153 0.827 0.607 0.909 0.636 CB 1.479 12 residues pruned to eliminate duplicates Z: 10 12.251 1.891 0.472 0.748 0.889 0.778 CB 1.322 11 residues pruned to eliminate duplicates Z: 7 4.022 1.663 0.190 0.343 0.833 0.667 CB 1.181 8 residues pruned to eliminate duplicates Z: 6 2.420 1.738 -0.130 0.295 1.000 0.600 CA 0.901 6 residues pruned to eliminate duplicates Z: 30 32.244 2.158 0.812 0.606 0.931 0.690 CB 1.488 30 residues pruned to eliminate duplicates Z: 63 53.580 2.282 0.903 0.534 0.919 0.694 CB 1.648 63 residues pruned to eliminate duplicates Z: 133 74.240 2.217 0.883 0.589 0.917 0.727 CB 1.550 133 residues pruned to eliminate duplicates Z: 12 5.922 1.539 0.431 0.307 0.909 0.455 CB 1.106 12 residues pruned to eliminate duplicates Z: 8 2.363 1.227 0.260 0.264 0.714 0.286 C 1.059 Z: 56 50.733 2.196 0.978 0.579 0.927 0.655 CB 1.574 56 residues pruned to eliminate duplicates Z: 94 59.830 2.243 0.854 0.560 0.914 0.602 CB 1.540 94 residues pruned to eliminate duplicates Z: 54 45.690 2.191 0.896 0.534 0.962 0.679 CB 1.518 54 residues pruned to eliminate duplicates Z: 11 24.882 2.103 1.115 0.616 1.000 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 33 55.548 2.317 1.057 0.719 0.969 0.688 CB 1.744 33 residues pruned to eliminate duplicates Z: 8 10.235 1.924 0.796 0.446 0.857 0.714 CB 1.380 7 residues pruned to eliminate duplicates Z: 46 39.462 2.121 0.831 0.596 0.978 0.600 CB 1.412 46 residues pruned to eliminate duplicates Z: 22 28.543 2.129 0.905 0.640 0.905 0.524 CB 1.489 24 residues pruned to eliminate duplicates Z: 52 38.392 2.139 0.862 0.516 0.922 0.627 CB 1.442 52 residues pruned to eliminate duplicates Z: 45 54.817 2.335 0.910 0.621 0.932 0.614 CB 1.775 45 residues pruned to eliminate duplicates Z: 61 59.073 2.249 0.941 0.618 0.967 0.667 CB 1.617 61 residues pruned to eliminate duplicates Z: 6 3.168 1.700 -0.244 0.688 1.000 0.800 CB 0.928 Z: 36 39.588 2.293 0.888 0.506 0.914 0.571 CB 1.679 36 residues pruned to eliminate duplicates Z: 12 30.631 2.353 0.594 0.881 1.000 0.909 CB 1.784 12 residues pruned to eliminate duplicates Z: 132 82.803 2.227 0.991 0.604 0.931 0.756 CB 1.586 131 residues pruned to eliminate duplicates Z: 15 16.348 1.937 0.636 0.554 1.000 0.714 CB 1.308 15 residues pruned to eliminate duplicates Z: 18 34.005 2.166 0.830 0.764 1.000 0.824 CB 1.646 18 residues pruned to eliminate duplicates Z: 8 15.761 2.164 0.875 0.566 0.857 0.857 C 1.606 8 residues pruned to eliminate duplicates Z: 26 28.196 2.034 0.521 0.617 0.960 0.680 CB 1.699 26 residues pruned to eliminate duplicates Z: 11 23.460 2.020 1.190 0.684 0.900 0.800 CA 1.573 11 residues pruned to eliminate duplicates Z: 54 48.821 2.178 0.951 0.599 0.906 0.604 CB 1.586 54 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 2.710 1.499 0.105 0.269 0.833 0.167 CA 1.043 7 residues pruned to eliminate duplicates Z: 26 25.544 2.044 0.549 0.557 0.920 0.600 CB 1.660 26 residues pruned to eliminate duplicates Z: 6 3.876 1.461 0.352 0.393 1.000 0.400 CB 0.983 6 residues pruned to eliminate duplicates Z: 33 40.378 2.170 0.749 0.568 1.000 0.656 CB 1.761 33 residues pruned to eliminate duplicates Z: 33 28.476 2.109 0.577 0.486 0.906 0.531 CB 1.693 33 residues pruned to eliminate duplicates Z: 32 33.198 2.189 0.639 0.475 0.968 0.613 CB 1.761 32 residues pruned to eliminate duplicates Z: 32 32.682 2.191 0.520 0.545 1.000 0.613 CB 1.687 32 residues pruned to eliminate duplicates Z: 33 37.369 2.146 0.799 0.529 1.000 0.594 CB 1.662 33 residues pruned to eliminate duplicates Z: 28 25.277 2.084 0.439 0.520 0.963 0.593 CB 1.651 28 residues pruned to eliminate duplicates Z: 34 28.815 2.135 0.542 0.480 0.939 0.545 CB 1.655 34 residues pruned to eliminate duplicates Z: 34 30.581 2.133 0.697 0.475 0.909 0.545 CB 1.659 34 residues pruned to eliminate duplicates Z: 25 26.422 2.090 0.608 0.528 0.917 0.583 CB 1.703 25 residues pruned to eliminate duplicates Z: 26 24.510 2.095 0.529 0.502 0.960 0.520 CB 1.591 26 residues pruned to eliminate duplicates Z: 28 24.524 2.022 0.623 0.460 0.889 0.444 CB 1.686 28 residues pruned to eliminate duplicates Z: 34 29.087 2.131 0.601 0.487 0.939 0.485 CB 1.601 34 residues pruned to eliminate duplicates Z: 28 24.219 2.050 0.476 0.513 0.926 0.593 CB 1.643 28 residues pruned to eliminate duplicates Z: 27 23.777 2.002 0.428 0.504 1.000 0.538 CB 1.624 27 residues pruned to eliminate duplicates Z: 24 23.493 2.096 0.425 0.549 0.913 0.565 CB 1.714 24 residues pruned to eliminate duplicates Z: 25 22.484 2.070 0.468 0.543 0.917 0.500 CB 1.578 25 residues pruned to eliminate duplicates Z: 34 31.901 2.130 0.635 0.524 0.939 0.636 CB 1.657 34 residues pruned to eliminate duplicates Z: 33 36.110 2.150 0.756 0.537 0.969 0.688 CB 1.683 33 residues pruned to eliminate duplicates Z: 25 28.619 2.065 0.566 0.627 1.000 0.667 CB 1.603 25 residues pruned to eliminate duplicates Z: 33 31.049 2.162 0.678 0.539 0.906 0.688 CB 1.607 33 residues pruned to eliminate duplicates Z: 33 39.801 2.191 0.753 0.569 0.969 0.688 CB 1.769 33 residues pruned to eliminate duplicates Z: 21 36.988 2.291 0.861 0.548 1.000 0.800 CB 1.852 21 residues pruned to eliminate duplicates Z: 14 22.065 2.110 1.084 0.430 0.923 0.692 CA 1.620 14 residues pruned to eliminate duplicates Z: 16 32.936 2.227 1.137 0.593 0.933 0.733 CB 1.752 16 residues pruned to eliminate duplicates Z: 33 31.728 2.087 0.690 0.552 0.938 0.656 CB 1.613 33 residues pruned to eliminate duplicates Z: 13 18.565 2.030 1.226 0.447 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 14 22.133 2.126 0.905 0.393 1.000 0.538 CB 1.697 14 residues pruned to eliminate duplicates Z: 13 19.835 2.114 1.106 0.423 0.917 0.750 CB 1.520 13 residues pruned to eliminate duplicates Z: 21 28.373 1.967 1.113 0.608 0.950 0.700 CB 1.450 21 residues pruned to eliminate duplicates Z: 6 7.189 1.514 1.177 0.444 1.000 0.400 C 1.033 6 residues pruned to eliminate duplicates Z: 22 23.259 1.932 0.991 0.575 0.905 0.714 CA 1.357 22 residues pruned to eliminate duplicates Z: 22 27.666 1.981 1.031 0.659 0.905 0.714 CA 1.431 22 residues pruned to eliminate duplicates Z: 6 8.346 1.685 1.133 0.465 1.000 0.600 CA 1.076 6 residues pruned to eliminate duplicates Z: 22 26.674 1.978 0.903 0.675 0.905 0.762 CA 1.455 22 residues pruned to eliminate duplicates Z: 25 20.908 1.910 0.819 0.517 0.875 0.667 CA 1.381 25 residues pruned to eliminate duplicates Z: 22 26.380 1.937 0.896 0.666 0.905 0.810 CA 1.486 22 residues pruned to eliminate duplicates Z: 22 24.243 1.996 0.818 0.634 0.857 0.810 CB 1.500 22 residues pruned to eliminate duplicates Z: 22 29.696 1.994 1.068 0.663 0.905 0.762 CB 1.493 22 residues pruned to eliminate duplicates Z: 6 3.728 1.525 1.216 0.328 0.800 0.600 CA 0.745 6 residues pruned to eliminate duplicates Z: 13 21.139 1.887 1.225 0.643 0.917 0.833 CA 1.387 13 residues pruned to eliminate duplicates Z: 24 23.585 1.923 0.809 0.636 0.957 0.696 CB 1.302 24 residues pruned to eliminate duplicates Z: 23 20.758 1.966 0.731 0.532 0.955 0.773 CA 1.320 23 residues pruned to eliminate duplicates Z: 24 26.613 1.948 0.835 0.630 1.000 0.739 CB 1.373 23 residues pruned to eliminate duplicates Z: 6 3.579 1.280 0.499 0.431 1.000 0.400 CA 0.895 6 residues pruned to eliminate duplicates Z: 18 17.722 1.917 0.717 0.536 0.941 0.706 CA 1.339 18 residues pruned to eliminate duplicates Z: 25 20.637 1.904 0.659 0.518 1.000 0.667 CB 1.309 25 residues pruned to eliminate duplicates Z: 24 21.095 1.935 0.607 0.560 1.000 0.696 CB 1.334 24 residues pruned to eliminate duplicates Z: 25 22.365 1.893 0.829 0.598 0.917 0.708 CB 1.310 25 residues pruned to eliminate duplicates Z: 6 2.579 1.369 0.375 0.284 1.000 0.400 CB 0.782 6 residues pruned to eliminate duplicates Z: 24 24.802 1.933 0.827 0.605 0.957 0.739 CB 1.386 24 residues pruned to eliminate duplicates Z: 25 22.223 1.908 0.736 0.610 0.958 0.708 CB 1.287 25 residues pruned to eliminate duplicates Z: 25 23.386 1.937 0.955 0.565 0.917 0.708 CB 1.291 26 residues pruned to eliminate duplicates Z: 21 38.255 2.207 1.106 0.731 0.950 0.650 CA 1.574 21 residues pruned to eliminate duplicates Z: 127 84.858 2.309 0.893 0.604 0.944 0.698 CB 1.659 128 residues pruned to eliminate duplicates Z: 18 36.703 2.338 0.969 0.803 0.882 0.529 CA 1.681 18 residues pruned to eliminate duplicates Z: 49 51.560 2.317 0.828 0.613 0.917 0.667 CB 1.722 49 residues pruned to eliminate duplicates Z: 62 59.902 2.345 0.921 0.568 0.934 0.623 CB 1.706 62 residues pruned to eliminate duplicates Z: 46 52.854 2.342 0.943 0.622 0.889 0.689 CA 1.736 46 residues pruned to eliminate duplicates Z: 46 58.325 2.347 0.975 0.626 0.956 0.600 CB 1.744 46 residues pruned to eliminate duplicates Z: 45 55.865 2.373 1.011 0.605 0.909 0.591 CB 1.756 45 residues pruned to eliminate duplicates Z: 130 76.213 2.278 0.798 0.581 0.946 0.651 CB 1.603 130 residues pruned to eliminate duplicates Z: 45 56.846 2.358 0.910 0.647 0.932 0.659 CB 1.781 45 residues pruned to eliminate duplicates Z: 32 55.618 2.358 1.121 0.693 1.000 0.710 CA 1.674 31 residues pruned to eliminate duplicates Z: 17 43.497 2.373 1.018 0.805 0.938 0.812 CB 1.855 17 residues pruned to eliminate duplicates Z: 33 56.859 2.366 1.049 0.700 0.969 0.688 CB 1.783 33 residues pruned to eliminate duplicates Z: 18 48.858 2.374 1.280 0.799 0.941 0.647 CA 1.791 21 residues pruned to eliminate duplicates Z: 19 37.700 2.261 1.068 0.760 0.889 0.611 CB 1.698 19 residues pruned to eliminate duplicates Z: 127 83.459 2.314 0.913 0.594 0.921 0.667 CB 1.668 127 residues pruned to eliminate duplicates Z: 34 48.742 2.322 0.931 0.674 0.939 0.545 CA 1.716 34 residues pruned to eliminate duplicates Z: 128 81.611 2.303 0.853 0.603 0.929 0.669 CB 1.656 128 residues pruned to eliminate duplicates Z: 51 52.968 2.295 1.005 0.583 0.900 0.600 CB 1.670 51 residues pruned to eliminate duplicates Z: 45 56.467 2.357 1.039 0.606 0.909 0.614 CB 1.761 45 residues pruned to eliminate duplicates Z: 34 49.609 2.346 1.006 0.633 0.939 0.697 CB 1.724 34 residues pruned to eliminate duplicates Z: 35 51.313 2.284 1.019 0.646 0.971 0.647 CA 1.716 35 residues pruned to eliminate duplicates Z: 50 57.447 2.323 1.007 0.629 0.898 0.714 CB 1.735 50 residues pruned to eliminate duplicates Z: 48 55.964 2.379 1.008 0.613 0.894 0.617 CB 1.718 48 residues pruned to eliminate duplicates Z: 96 75.054 2.339 0.861 0.595 0.947 0.695 CB 1.705 94 residues pruned to eliminate duplicates Z: 6 3.493 1.906 0.146 0.228 0.800 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 100 64.569 2.274 0.792 0.574 0.919 0.677 CB 1.612 100 residues pruned to eliminate duplicates Z: 13 22.368 2.306 0.980 0.565 0.833 0.750 CA 1.593 13 residues pruned to eliminate duplicates Z: 12 27.232 2.381 1.160 0.640 0.818 0.727 CA 1.712 12 residues pruned to eliminate duplicates Z: 98 70.045 2.296 0.869 0.596 0.948 0.660 CB 1.594 98 residues pruned to eliminate duplicates Z: 61 57.296 2.327 0.967 0.564 0.900 0.650 CB 1.687 60 residues pruned to eliminate duplicates Z: 6 8.988 2.021 1.301 0.361 1.000 0.800 CA 1.003 6 residues pruned to eliminate duplicates Z: 136 75.967 2.249 0.786 0.589 0.933 0.689 CB 1.601 136 residues pruned to eliminate duplicates Z: 12 28.071 2.336 1.035 0.589 1.000 0.545 CB 1.635 12 residues pruned to eliminate duplicates Z: 16 23.584 2.331 1.059 0.507 0.800 0.733 CB 1.575 16 residues pruned to eliminate duplicates Z: 129 84.775 2.292 0.894 0.614 0.938 0.695 CB 1.652 129 residues pruned to eliminate duplicates Z: 141 69.724 2.221 0.753 0.584 0.907 0.643 CB 1.538 141 residues pruned to eliminate duplicates Z: 85 64.579 2.274 0.821 0.609 0.952 0.750 CB 1.611 85 residues pruned to eliminate duplicates Z: 88 63.506 2.256 0.852 0.581 0.931 0.609 CB 1.620 88 residues pruned to eliminate duplicates Z: 85 62.563 2.246 0.778 0.584 0.952 0.655 CB 1.655 85 residues pruned to eliminate duplicates Z: 97 68.027 2.268 0.860 0.589 0.948 0.667 CB 1.594 97 residues pruned to eliminate duplicates Z: 61 65.139 2.362 0.991 0.562 0.950 0.717 CB 1.773 61 residues pruned to eliminate duplicates Z: 83 57.228 2.238 0.798 0.593 0.927 0.659 CB 1.550 83 residues pruned to eliminate duplicates Z: 129 84.716 2.293 0.900 0.606 0.938 0.617 CB 1.657 129 residues pruned to eliminate duplicates Z: 88 53.261 2.204 0.730 0.565 0.920 0.655 CB 1.528 88 residues pruned to eliminate duplicates Z: 128 84.259 2.294 0.891 0.593 0.953 0.661 CB 1.656 128 residues pruned to eliminate duplicates Z: 82 60.869 2.243 0.847 0.597 0.938 0.654 CB 1.587 82 residues pruned to eliminate duplicates Z: 99 61.550 2.237 0.847 0.557 0.918 0.643 CB 1.550 99 residues pruned to eliminate duplicates Z: 34 32.847 2.166 0.858 0.482 0.879 0.636 CB 1.647 34 residues pruned to eliminate duplicates Z: 80 63.427 2.277 0.814 0.602 0.949 0.696 CB 1.651 80 residues pruned to eliminate duplicates Z: 95 57.606 2.257 0.671 0.574 0.904 0.617 CB 1.622 95 residues pruned to eliminate duplicates Z: 128 81.042 2.270 0.808 0.616 0.961 0.630 CB 1.635 128 residues pruned to eliminate duplicates Z: 29 24.737 2.108 0.678 0.476 0.893 0.536 CB 1.517 29 residues pruned to eliminate duplicates Z: 83 60.280 2.245 0.871 0.585 0.939 0.634 CB 1.555 83 residues pruned to eliminate duplicates Z: 96 56.807 2.231 0.856 0.534 0.874 0.611 CB 1.558 96 residues pruned to eliminate duplicates Z: 79 60.880 2.272 0.798 0.603 0.949 0.667 CB 1.614 79 residues pruned to eliminate duplicates Z: 81 62.520 2.263 0.794 0.611 0.963 0.650 CB 1.611 81 residues pruned to eliminate duplicates Z: 81 58.948 2.261 0.705 0.593 0.975 0.650 CB 1.604 81 residues pruned to eliminate duplicates Z: 42 48.013 2.309 0.899 0.542 1.000 0.707 CB 1.642 42 residues pruned to eliminate duplicates Z: 62 45.373 2.206 0.895 0.486 0.918 0.672 CB 1.535 62 residues pruned to eliminate duplicates Z: 103 56.347 2.199 0.727 0.556 0.902 0.618 CB 1.542 103 residues pruned to eliminate duplicates Z: 128 81.917 2.272 0.887 0.605 0.937 0.646 CB 1.638 128 residues pruned to eliminate duplicates Z: 81 58.020 2.252 0.774 0.580 0.950 0.675 CB 1.583 81 residues pruned to eliminate duplicates Z: 75 56.241 2.253 0.760 0.612 0.946 0.676 CB 1.568 75 residues pruned to eliminate duplicates Z: 84 59.426 2.250 0.769 0.586 0.940 0.651 CB 1.606 84 residues pruned to eliminate duplicates Z: 97 62.994 2.267 0.745 0.584 0.938 0.635 CB 1.600 97 residues pruned to eliminate duplicates Z: 84 63.504 2.262 0.833 0.597 0.940 0.651 CB 1.631 84 residues pruned to eliminate duplicates Z: 82 58.314 2.245 0.739 0.604 0.951 0.654 CB 1.581 82 residues pruned to eliminate duplicates Z: 55 48.453 2.258 0.844 0.547 0.944 0.667 CB 1.601 55 residues pruned to eliminate duplicates Z: 130 81.079 2.281 0.892 0.602 0.930 0.636 CB 1.613 130 residues pruned to eliminate duplicates Z: 82 61.298 2.270 0.812 0.611 0.926 0.654 CB 1.610 82 residues pruned to eliminate duplicates Z: 70 58.769 2.273 0.768 0.574 0.971 0.710 CB 1.689 70 residues pruned to eliminate duplicates Z: 82 60.029 2.254 0.793 0.588 0.951 0.642 CB 1.596 82 residues pruned to eliminate duplicates Z: 102 64.427 2.220 0.889 0.578 0.921 0.713 CB 1.541 102 residues pruned to eliminate duplicates Z: 97 62.696 2.256 0.825 0.579 0.927 0.656 CB 1.554 97 residues pruned to eliminate duplicates Z: 130 88.789 2.298 0.942 0.611 0.961 0.659 CB 1.640 130 residues pruned to eliminate duplicates Z: 6 7.149 1.983 1.001 0.426 0.800 0.600 CB 1.087 6 residues pruned to eliminate duplicates Z: 82 58.176 2.233 0.833 0.593 0.951 0.679 CB 1.519 82 residues pruned to eliminate duplicates Z: 82 58.806 2.250 0.763 0.586 0.951 0.679 CB 1.595 82 residues pruned to eliminate duplicates Z: 92 56.977 2.169 0.785 0.578 0.934 0.615 CB 1.532 92 residues pruned to eliminate duplicates Z: 58 40.534 2.208 0.675 0.499 0.930 0.596 CB 1.562 58 residues pruned to eliminate duplicates Z: 53 49.524 2.256 0.796 0.621 0.962 0.615 CB 1.573 53 residues pruned to eliminate duplicates Z: 59 42.541 2.163 0.696 0.627 0.931 0.603 CB 1.451 59 residues pruned to eliminate duplicates Z: 54 45.792 2.241 0.840 0.599 0.906 0.623 CB 1.533 54 residues pruned to eliminate duplicates Z: 86 58.544 2.210 0.810 0.589 0.953 0.659 CB 1.529 86 residues pruned to eliminate duplicates Z: 83 59.630 2.248 0.784 0.601 0.951 0.732 CB 1.568 83 residues pruned to eliminate duplicates Z: 40 36.725 2.175 0.766 0.632 0.897 0.615 CB 1.508 40 residues pruned to eliminate duplicates Z: 88 51.632 2.172 0.741 0.553 0.943 0.655 CB 1.476 88 residues pruned to eliminate duplicates Z: 93 53.488 2.189 0.736 0.533 0.924 0.663 CB 1.537 93 residues pruned to eliminate duplicates Z: 52 40.149 2.258 0.704 0.602 0.863 0.608 CB 1.537 52 residues pruned to eliminate duplicates Z: 65 42.712 2.177 0.748 0.564 0.906 0.594 CB 1.454 65 residues pruned to eliminate duplicates Z: 75 54.418 2.207 0.870 0.520 0.946 0.622 CB 1.589 75 residues pruned to eliminate duplicates Z: 45 44.032 2.244 0.759 0.651 0.955 0.659 CB 1.531 45 residues pruned to eliminate duplicates Z: 42 35.571 2.143 0.761 0.623 0.878 0.512 CB 1.493 42 residues pruned to eliminate duplicates Z: 32 37.722 2.206 0.797 0.680 0.903 0.548 CB 1.604 32 residues pruned to eliminate duplicates Z: 32 35.146 2.201 0.716 0.688 0.903 0.645 CB 1.558 32 residues pruned to eliminate duplicates Z: 130 81.380 2.286 0.898 0.610 0.938 0.674 CB 1.587 130 residues pruned to eliminate duplicates Z: 48 35.810 2.237 0.665 0.562 0.872 0.596 CB 1.513 48 residues pruned to eliminate duplicates Z: 52 48.274 2.277 0.708 0.626 0.961 0.608 CB 1.606 52 residues pruned to eliminate duplicates Z: 83 62.327 2.262 0.834 0.595 0.951 0.695 CB 1.593 83 residues pruned to eliminate duplicates Z: 127 74.681 2.270 0.873 0.581 0.921 0.675 CB 1.572 127 residues pruned to eliminate duplicates Z: 49 43.258 2.270 0.701 0.592 0.979 0.583 CB 1.513 49 residues pruned to eliminate duplicates Z: 126 64.833 2.195 0.768 0.552 0.944 0.648 CB 1.504 126 residues pruned to eliminate duplicates Z: 19 26.991 2.181 0.526 0.762 0.944 0.667 CA 1.604 19 residues pruned to eliminate duplicates Z: 81 54.953 2.239 0.779 0.585 0.938 0.637 CB 1.517 81 residues pruned to eliminate duplicates Z: 98 67.365 2.275 0.882 0.581 0.928 0.649 CB 1.593 98 residues pruned to eliminate duplicates Z: 91 47.474 2.146 0.771 0.558 0.889 0.633 CB 1.401 91 residues pruned to eliminate duplicates Z: 49 43.001 2.231 0.803 0.612 0.938 0.583 CB 1.481 49 residues pruned to eliminate duplicates Z: 87 58.795 2.219 0.842 0.590 0.930 0.663 CB 1.529 87 residues pruned to eliminate duplicates Z: 47 41.177 2.246 0.681 0.616 0.957 0.587 CB 1.506 47 residues pruned to eliminate duplicates Z: 92 57.238 2.181 0.837 0.558 0.923 0.637 CB 1.534 92 residues pruned to eliminate duplicates Z: 40 34.823 2.172 0.732 0.609 0.872 0.564 CB 1.533 40 residues pruned to eliminate duplicates Z: 83 53.262 2.237 0.703 0.562 0.939 0.671 CB 1.549 83 residues pruned to eliminate duplicates Z: 83 58.960 2.255 0.850 0.588 0.927 0.695 CB 1.547 83 residues pruned to eliminate duplicates Z: 85 57.177 2.230 0.800 0.543 0.929 0.679 CB 1.604 85 residues pruned to eliminate duplicates Z: 87 56.619 2.226 0.775 0.572 0.930 0.698 CB 1.549 87 residues pruned to eliminate duplicates Z: 94 61.971 2.281 0.835 0.567 0.914 0.677 CB 1.575 94 residues pruned to eliminate duplicates Z: 55 36.417 2.128 0.670 0.594 0.870 0.685 CB 1.464 55 residues pruned to eliminate duplicates Z: 34 32.375 2.175 0.552 0.646 0.939 0.697 CB 1.551 34 residues pruned to eliminate duplicates Z: 47 42.091 2.241 0.705 0.621 0.957 0.696 CB 1.516 47 residues pruned to eliminate duplicates Z: 102 57.347 2.208 0.790 0.560 0.891 0.683 CB 1.528 102 residues pruned to eliminate duplicates Z: 32 17.035 2.032 0.295 0.482 0.839 0.484 CB 1.411 32 residues pruned to eliminate duplicates Z: 53 33.369 2.067 0.716 0.560 0.865 0.577 CB 1.422 53 residues pruned to eliminate duplicates Z: 29 19.607 2.111 0.443 0.461 0.857 0.464 CB 1.478 29 residues pruned to eliminate duplicates Z: 32 19.226 1.956 0.403 0.537 0.871 0.677 CB 1.393 32 residues pruned to eliminate duplicates Z: 34 18.513 2.010 0.487 0.427 0.879 0.545 CB 1.324 34 residues pruned to eliminate duplicates Z: 42 23.923 2.107 0.563 0.462 0.829 0.537 CB 1.422 42 residues pruned to eliminate duplicates Z: 33 21.784 2.069 0.502 0.509 0.938 0.469 CB 1.310 33 residues pruned to eliminate duplicates Z: 32 20.612 2.048 0.511 0.523 0.839 0.613 CB 1.393 32 residues pruned to eliminate duplicates Z: 29 18.655 2.145 0.380 0.528 0.821 0.500 CB 1.410 29 residues pruned to eliminate duplicates Z: 32 23.249 2.082 0.465 0.536 0.903 0.581 CB 1.463 32 residues pruned to eliminate duplicates Z: 43 27.562 2.093 0.547 0.481 0.929 0.524 CB 1.443 43 residues pruned to eliminate duplicates Z: 6 6.480 2.162 0.148 0.421 1.000 0.800 CA 1.268 6 residues pruned to eliminate duplicates Z: 35 21.005 2.058 0.497 0.501 0.853 0.559 CB 1.369 35 residues pruned to eliminate duplicates Z: 31 22.810 2.091 0.407 0.570 0.933 0.600 CB 1.417 31 residues pruned to eliminate duplicates Z: 42 24.757 2.066 0.431 0.468 0.927 0.537 CB 1.457 42 residues pruned to eliminate duplicates Z: 36 32.113 2.225 0.664 0.537 0.943 0.543 CB 1.500 36 residues pruned to eliminate duplicates Z: 31 22.034 2.079 0.447 0.512 0.933 0.567 CB 1.417 31 residues pruned to eliminate duplicates Z: 35 24.730 2.201 0.518 0.462 0.912 0.500 CB 1.447 35 residues pruned to eliminate duplicates Z: 40 28.904 2.137 0.526 0.479 0.949 0.564 CB 1.528 40 residues pruned to eliminate duplicates Z: 32 21.700 2.087 0.556 0.527 0.935 0.484 CB 1.250 32 residues pruned to eliminate duplicates Z: 72 48.545 2.175 0.658 0.602 0.958 0.577 CB 1.514 73 residues pruned to eliminate duplicates Z: 6 4.317 1.502 0.412 0.439 1.000 0.600 N 0.970 6 residues pruned to eliminate duplicates Z: 38 28.045 2.175 0.489 0.473 0.973 0.622 CB 1.504 38 residues pruned to eliminate duplicates Z: 36 21.499 2.077 0.471 0.453 0.857 0.371 CB 1.456 36 residues pruned to eliminate duplicates Z: 14 16.773 2.127 0.690 0.449 0.923 0.692 CB 1.477 14 residues pruned to eliminate duplicates Z: 35 32.381 2.241 0.701 0.519 0.941 0.500 CB 1.519 35 residues pruned to eliminate duplicates Z: 7 4.345 1.527 0.628 0.490 1.000 0.500 N 0.721 7 residues pruned to eliminate duplicates Z: 14 17.903 2.146 0.600 0.469 0.846 0.538 CA 1.764 14 residues pruned to eliminate duplicates Z: 35 33.935 2.256 0.635 0.561 0.941 0.676 CB 1.580 35 residues pruned to eliminate duplicates Z: 6 8.913 1.789 0.977 0.362 1.000 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 37 28.374 2.179 0.590 0.511 0.917 0.556 CB 1.473 37 residues pruned to eliminate duplicates Z: 12 30.843 2.414 0.896 0.562 1.000 0.818 CB 1.913 12 residues pruned to eliminate duplicates Z: 6 4.307 1.666 0.374 0.255 0.800 0.600 N 1.393 6 residues pruned to eliminate duplicates Z: 13 17.938 2.274 0.586 0.430 0.917 0.667 CB 1.684 13 residues pruned to eliminate duplicates Z: 38 38.385 2.104 0.918 0.628 0.919 0.703 CB 1.509 38 residues pruned to eliminate duplicates Z: 19 30.263 2.164 0.733 0.717 1.000 0.611 CB 1.563 18 residues pruned to eliminate duplicates Z: 14 31.807 2.189 0.968 0.817 0.923 0.769 CB 1.684 17 residues pruned to eliminate duplicates Z: 17 33.365 2.304 0.608 0.831 1.000 0.750 CA 1.693 17 residues pruned to eliminate duplicates Z: 130 72.204 2.244 0.810 0.566 0.915 0.690 CB 1.606 127 residues pruned to eliminate duplicates Z: 17 27.473 2.132 0.961 0.727 0.812 0.625 CA 1.648 17 residues pruned to eliminate duplicates Z: 46 52.882 2.302 0.986 0.603 0.911 0.711 CB 1.717 47 residues pruned to eliminate duplicates Z: 16 38.080 2.345 0.995 0.812 0.933 0.800 CB 1.716 18 residues pruned to eliminate duplicates Z: 16 37.383 2.329 1.001 0.805 0.933 0.600 CB 1.701 16 residues pruned to eliminate duplicates Z: 80 65.650 2.296 0.881 0.555 0.962 0.633 CB 1.686 80 residues pruned to eliminate duplicates Z: 32 55.859 2.312 1.181 0.698 0.968 0.710 CB 1.716 30 residues pruned to eliminate duplicates Z: 14 35.112 2.311 0.891 0.836 1.000 0.923 CA 1.667 14 residues pruned to eliminate duplicates Z: 23 35.768 2.253 0.804 0.686 0.955 0.682 CB 1.658 23 residues pruned to eliminate duplicates Z: 81 70.302 2.276 0.992 0.573 0.963 0.725 CB 1.679 81 residues pruned to eliminate duplicates Z: 31 50.606 2.305 1.082 0.672 0.933 0.700 CB 1.760 31 residues pruned to eliminate duplicates Z: 31 49.502 2.314 0.970 0.682 0.967 0.700 CB 1.735 31 residues pruned to eliminate duplicates Z: 45 51.020 2.329 0.868 0.618 0.932 0.705 CB 1.697 45 residues pruned to eliminate duplicates Z: 46 53.954 2.302 0.918 0.593 0.978 0.556 CB 1.705 46 residues pruned to eliminate duplicates Z: 80 67.417 2.296 0.905 0.564 0.962 0.759 CB 1.694 80 residues pruned to eliminate duplicates Z: 51 49.987 2.225 0.926 0.561 0.940 0.600 CB 1.654 51 residues pruned to eliminate duplicates Z: 45 49.443 2.317 0.909 0.573 0.909 0.614 CB 1.728 45 residues pruned to eliminate duplicates Z: 80 64.477 2.295 0.876 0.554 0.949 0.671 CB 1.685 80 residues pruned to eliminate duplicates Z: 44 53.242 2.332 0.911 0.615 0.953 0.628 CB 1.714 44 residues pruned to eliminate duplicates Z: 80 60.862 2.290 0.835 0.548 0.911 0.722 CB 1.706 80 residues pruned to eliminate duplicates Z: 80 66.442 2.299 0.894 0.548 0.962 0.734 CB 1.702 80 residues pruned to eliminate duplicates Z: 149 79.283 2.270 0.805 0.557 0.939 0.709 CB 1.603 148 residues pruned to eliminate duplicates Z: 6 9.732 2.039 0.573 0.365 1.000 0.400 CA 1.569 6 residues pruned to eliminate duplicates Z: 44 40.744 2.246 1.096 0.439 0.884 0.628 CB 1.591 44 residues pruned to eliminate duplicates Z: 46 53.447 2.291 0.982 0.590 0.956 0.667 CB 1.684 46 residues pruned to eliminate duplicates Z: 31 39.649 2.348 1.074 0.519 0.800 0.633 CB 1.824 31 residues pruned to eliminate duplicates Z: 134 79.951 2.229 0.889 0.587 0.940 0.684 CB 1.612 134 residues pruned to eliminate duplicates Z: 6 5.937 2.047 0.941 0.199 0.800 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 82 66.164 2.243 0.930 0.598 0.951 0.753 CB 1.628 82 residues pruned to eliminate duplicates Z: 45 56.720 2.311 1.025 0.635 0.955 0.727 CB 1.688 45 residues pruned to eliminate duplicates Z: 80 70.452 2.285 1.032 0.574 0.949 0.747 CB 1.674 80 residues pruned to eliminate duplicates Z: 47 51.562 2.285 0.922 0.622 0.935 0.652 CB 1.650 47 residues pruned to eliminate duplicates Z: 82 72.195 2.264 1.020 0.596 0.975 0.753 CB 1.641 82 residues pruned to eliminate duplicates Z: 88 57.425 2.227 0.789 0.576 0.908 0.747 CB 1.582 88 residues pruned to eliminate duplicates Z: 30 26.607 2.098 0.764 0.491 0.931 0.690 CB 1.447 30 residues pruned to eliminate duplicates Z: 80 65.909 2.293 0.960 0.571 0.937 0.722 CB 1.645 80 residues pruned to eliminate duplicates Z: 89 56.437 2.171 0.887 0.561 0.898 0.659 CB 1.541 89 residues pruned to eliminate duplicates Z: 81 67.508 2.266 0.963 0.571 0.950 0.675 CB 1.668 81 residues pruned to eliminate duplicates Z: 36 41.099 2.205 0.990 0.535 0.971 0.857 CB 1.575 36 residues pruned to eliminate duplicates Z: 85 53.474 2.177 0.799 0.556 0.905 0.714 CB 1.560 85 residues pruned to eliminate duplicates Z: 84 59.871 2.196 0.864 0.592 0.940 0.711 CB 1.565 84 residues pruned to eliminate duplicates Z: 37 42.787 2.248 0.970 0.513 0.944 0.778 CB 1.683 37 residues pruned to eliminate duplicates Z: 84 56.769 2.188 0.846 0.572 0.928 0.687 CB 1.550 84 residues pruned to eliminate duplicates Z: 132 79.528 2.241 0.940 0.597 0.924 0.679 CB 1.577 132 residues pruned to eliminate duplicates Z: 49 38.567 2.070 0.920 0.484 0.958 0.688 CB 1.485 49 residues pruned to eliminate duplicates Z: 33 39.116 2.199 1.016 0.552 0.938 0.625 CB 1.582 33 residues pruned to eliminate duplicates Z: 80 65.964 2.244 1.016 0.570 0.949 0.595 CB 1.614 80 residues pruned to eliminate duplicates Z: 39 38.754 2.146 0.965 0.525 0.974 0.684 CB 1.494 39 residues pruned to eliminate duplicates Z: 37 41.393 2.191 1.012 0.494 0.972 0.722 CB 1.620 37 residues pruned to eliminate duplicates Z: 34 40.398 2.185 1.016 0.507 0.970 0.697 CB 1.635 34 residues pruned to eliminate duplicates Z: 39 37.936 2.158 0.956 0.520 0.921 0.711 CB 1.552 39 residues pruned to eliminate duplicates Z: 77 55.289 2.204 0.830 0.593 0.921 0.697 CB 1.562 77 residues pruned to eliminate duplicates Z: 85 53.314 2.189 0.857 0.567 0.869 0.679 CB 1.543 85 residues pruned to eliminate duplicates Z: 33 41.727 2.227 1.087 0.527 0.938 0.688 CB 1.648 33 residues pruned to eliminate duplicates Z: 79 63.608 2.253 1.009 0.555 0.923 0.705 CB 1.634 79 residues pruned to eliminate duplicates Z: 38 35.448 2.147 0.945 0.506 0.919 0.622 CB 1.510 38 residues pruned to eliminate duplicates Z: 39 35.297 2.153 0.900 0.506 0.921 0.684 CB 1.512 39 residues pruned to eliminate duplicates Z: 84 59.182 2.190 0.827 0.581 0.952 0.627 CB 1.578 84 residues pruned to eliminate duplicates Z: 6 7.659 1.760 0.939 0.278 1.000 0.600 CA 1.290 6 residues pruned to eliminate duplicates Z: 32 46.917 2.228 1.161 0.571 1.000 0.774 CB 1.634 32 residues pruned to eliminate duplicates Z: 79 55.629 2.210 0.849 0.583 0.910 0.628 CB 1.564 79 residues pruned to eliminate duplicates Z: 85 61.283 2.202 0.870 0.596 0.940 0.714 CB 1.574 85 residues pruned to eliminate duplicates Z: 42 53.238 2.265 1.160 0.589 0.951 0.659 CB 1.640 42 residues pruned to eliminate duplicates Z: 89 60.510 2.227 0.892 0.582 0.909 0.682 CB 1.556 89 residues pruned to eliminate duplicates Z: 36 38.515 2.221 0.994 0.526 0.914 0.743 CB 1.567 36 residues pruned to eliminate duplicates Z: 88 59.892 2.221 0.878 0.579 0.931 0.655 CB 1.532 88 residues pruned to eliminate duplicates Z: 52 48.310 2.225 0.941 0.540 0.941 0.686 CB 1.601 52 residues pruned to eliminate duplicates Z: 74 58.098 2.239 0.975 0.545 0.945 0.740 CB 1.556 74 residues pruned to eliminate duplicates Z: 48 46.985 2.222 0.954 0.543 0.957 0.681 CB 1.581 48 residues pruned to eliminate duplicates Z: 84 60.190 2.217 0.866 0.598 0.928 0.699 CB 1.568 84 residues pruned to eliminate duplicates Z: 85 60.199 2.202 0.903 0.596 0.917 0.679 CB 1.560 85 residues pruned to eliminate duplicates Z: 87 55.479 2.184 0.816 0.571 0.919 0.674 CB 1.533 87 residues pruned to eliminate duplicates Z: 14 24.619 2.133 0.908 0.615 0.923 0.692 CB 1.629 14 residues pruned to eliminate duplicates Z: 88 53.742 2.203 0.887 0.562 0.851 0.690 CB 1.534 88 residues pruned to eliminate duplicates Z: 101 58.064 2.184 0.838 0.553 0.910 0.700 CB 1.509 101 residues pruned to eliminate duplicates Z: 78 65.758 2.239 0.956 0.621 0.961 0.792 CB 1.588 78 residues pruned to eliminate duplicates Z: 81 61.372 2.231 0.901 0.597 0.950 0.725 CB 1.552 81 residues pruned to eliminate duplicates Z: 81 53.890 2.211 0.836 0.566 0.900 0.725 CB 1.547 81 residues pruned to eliminate duplicates Z: 46 37.623 2.191 0.706 0.622 0.911 0.689 CB 1.468 46 residues pruned to eliminate duplicates Z: 88 56.830 2.210 0.881 0.546 0.920 0.678 CB 1.524 88 residues pruned to eliminate duplicates Z: 111 66.310 2.198 0.920 0.558 0.918 0.664 CB 1.542 111 residues pruned to eliminate duplicates Z: 132 75.215 2.218 0.870 0.588 0.924 0.679 CB 1.577 132 residues pruned to eliminate duplicates Z: 86 53.841 2.148 0.848 0.557 0.918 0.682 CB 1.517 86 residues pruned to eliminate duplicates Z: 87 57.259 2.220 0.818 0.579 0.907 0.744 CB 1.563 87 residues pruned to eliminate duplicates Z: 56 38.674 2.150 0.674 0.559 0.909 0.673 CB 1.504 56 residues pruned to eliminate duplicates Z: 17 26.454 2.174 0.463 0.748 1.000 0.625 CB 1.666 17 residues pruned to eliminate duplicates Z: 90 55.916 2.163 0.868 0.566 0.921 0.697 CB 1.493 90 residues pruned to eliminate duplicates Z: 133 75.042 2.206 0.878 0.583 0.932 0.674 CB 1.562 133 residues pruned to eliminate duplicates Z: 90 60.091 2.178 0.901 0.583 0.921 0.787 CB 1.542 90 residues pruned to eliminate duplicates Z: 33 27.563 2.151 0.736 0.553 0.875 0.594 CB 1.416 33 residues pruned to eliminate duplicates Z: 102 59.731 2.185 0.861 0.554 0.911 0.653 CB 1.523 102 residues pruned to eliminate duplicates Z: 42 34.810 2.105 0.760 0.620 0.902 0.659 CB 1.452 42 residues pruned to eliminate duplicates Z: 32 37.697 2.203 0.764 0.697 0.935 0.613 CB 1.556 32 residues pruned to eliminate duplicates Z: 92 55.999 2.182 0.811 0.543 0.923 0.648 CB 1.544 92 residues pruned to eliminate duplicates Z: 84 59.304 2.193 0.904 0.568 0.940 0.614 CB 1.553 84 residues pruned to eliminate duplicates Z: 133 77.792 2.222 0.893 0.599 0.924 0.689 CB 1.585 133 residues pruned to eliminate duplicates Z: 48 33.225 2.129 0.663 0.599 0.851 0.638 CB 1.463 48 residues pruned to eliminate duplicates Z: 35 34.138 2.111 0.727 0.660 0.912 0.676 CB 1.519 35 residues pruned to eliminate duplicates Z: 84 58.921 2.220 0.934 0.588 0.892 0.651 CB 1.552 84 residues pruned to eliminate duplicates Z: 90 64.146 2.182 0.971 0.579 0.955 0.685 CB 1.534 90 residues pruned to eliminate duplicates Z: 80 59.017 2.247 0.847 0.581 0.937 0.608 CB 1.579 80 residues pruned to eliminate duplicates Z: 83 56.921 2.226 0.869 0.581 0.902 0.659 CB 1.549 83 residues pruned to eliminate duplicates Z: 90 59.164 2.179 0.927 0.567 0.921 0.697 CB 1.520 90 residues pruned to eliminate duplicates Z: 79 61.742 2.240 0.923 0.594 0.949 0.731 CB 1.563 79 residues pruned to eliminate duplicates Z: 50 35.874 2.133 0.808 0.587 0.878 0.633 CB 1.393 50 residues pruned to eliminate duplicates Z: 84 58.306 2.204 0.898 0.589 0.904 0.699 CB 1.555 84 residues pruned to eliminate duplicates Z: 35 36.158 2.129 0.749 0.672 0.941 0.529 CB 1.509 35 residues pruned to eliminate duplicates Z: 131 81.124 2.237 0.944 0.591 0.938 0.738 CB 1.598 131 residues pruned to eliminate duplicates Z: 42 35.488 2.149 0.698 0.628 0.878 0.610 CB 1.534 42 residues pruned to eliminate duplicates Z: 85 59.742 2.193 0.859 0.586 0.940 0.702 CB 1.565 85 residues pruned to eliminate duplicates Z: 58 39.187 2.139 0.669 0.584 0.895 0.632 CB 1.499 58 residues pruned to eliminate duplicates Z: 91 53.684 2.135 0.833 0.562 0.922 0.656 CB 1.476 91 residues pruned to eliminate duplicates Z: 134 79.386 2.212 0.891 0.589 0.947 0.684 CB 1.594 134 residues pruned to eliminate duplicates Z: 100 59.408 2.195 0.861 0.551 0.929 0.657 CB 1.497 100 residues pruned to eliminate duplicates Z: 19 20.516 2.077 0.512 0.630 0.889 0.500 CB 1.533 19 residues pruned to eliminate duplicates 377 residues left after pruning, divided into chains as follows: A: 33 B: 18 C: 23 D: 170 E: 133 CC for partial structure against native data = 43.52 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.466, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.541, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.650, Connect. = 0.761 for dens.mod. cycle 3 = 0.300, Contrast = 0.663, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.680, Connect. = 0.769 for dens.mod. cycle 6 = 0.300, Contrast = 0.684, Connect. = 0.771 for dens.mod. cycle 7 = 0.300, Contrast = 0.686, Connect. = 0.771 for dens.mod. cycle 8 = 0.300, Contrast = 0.688, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 0.688, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2900 peaks > 0.5 sigma used to seed fragment search Space for about 535 unique residues taking solvent into account 618 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 39.647 2.327 0.996 0.828 0.941 0.941 CA 1.657 B: 18 38.023 2.316 0.922 0.812 0.882 0.588 CA 1.789 18 residues pruned to eliminate duplicates C: 17 34.559 2.224 0.732 0.837 1.000 0.750 CB 1.677 D: 17 37.702 2.264 1.025 0.748 0.938 0.625 CA 1.757 17 residues pruned to eliminate duplicates E: 17 39.266 2.447 0.917 0.824 0.875 0.812 CA 1.807 17 residues pruned to eliminate duplicates F: 36 28.950 2.228 0.588 0.541 0.886 0.600 CB 1.500 G: 15 35.882 2.300 0.850 0.891 1.000 0.786 CB 1.621 H: 19 26.702 2.143 0.741 0.749 0.833 0.611 CB 1.621 17 residues pruned to eliminate duplicates I: 15 38.814 2.303 1.001 0.884 1.000 0.786 CB 1.627 15 residues pruned to eliminate duplicates J: 7 15.386 2.021 0.442 0.778 1.000 0.667 CB 1.687 K: 17 41.078 2.378 0.896 0.867 0.938 0.750 CA 1.777 17 residues pruned to eliminate duplicates L: 15 32.322 2.242 0.659 0.893 1.000 0.929 CB 1.668 16 residues pruned to eliminate duplicates M: 17 38.405 2.374 0.953 0.827 0.875 0.688 CB 1.783 18 residues pruned to eliminate duplicates N: 15 30.199 2.294 0.689 0.882 0.929 0.714 CB 1.623 14 residues pruned to eliminate duplicates O: 14 24.174 2.242 0.474 0.823 0.923 0.846 CA 1.661 14 residues pruned to eliminate duplicates P: 13 18.547 2.148 0.592 0.555 1.000 0.750 CB 1.484 13 residues pruned to eliminate duplicates Q: 19 37.622 2.231 0.772 0.810 0.944 0.667 CA 1.813 18 residues pruned to eliminate duplicates R: 84 53.478 2.203 0.787 0.573 0.928 0.651 CB 1.498 7 residues pruned to eliminate duplicates S: 15 37.533 2.190 0.989 0.895 1.000 0.786 CB 1.650 15 residues pruned to eliminate duplicates T: 17 30.298 2.184 0.758 0.792 0.938 0.625 CA 1.629 19 residues pruned to eliminate duplicates U: 82 64.864 2.249 0.940 0.566 0.926 0.654 CB 1.674 17 residues pruned to eliminate duplicates V: 45 56.502 2.302 0.994 0.654 0.932 0.705 CB 1.727 47 residues pruned to eliminate duplicates W: 16 32.187 2.256 0.634 0.855 1.000 0.867 CA 1.664 16 residues pruned to eliminate duplicates X: 48 51.470 2.294 1.000 0.525 0.957 0.766 CB 1.667 37 residues pruned to eliminate duplicates Y: 15 32.169 2.306 0.684 0.889 0.929 0.857 CB 1.716 15 residues pruned to eliminate duplicates Z: 13 18.869 2.233 0.970 0.418 0.833 0.750 CB 1.619 13 residues pruned to eliminate duplicates Z: 10 17.737 2.186 0.648 0.639 0.889 0.667 CB 1.621 Z: 130 79.573 2.292 0.801 0.602 0.953 0.643 CB 1.615 115 residues pruned to eliminate duplicates Z: 18 26.371 2.134 0.688 0.800 0.882 0.529 CB 1.547 18 residues pruned to eliminate duplicates Z: 15 34.502 2.325 0.643 0.901 1.000 0.929 CB 1.723 15 residues pruned to eliminate duplicates Z: 19 33.923 2.211 0.785 0.801 0.944 0.722 CB 1.648 19 residues pruned to eliminate duplicates Z: 32 44.348 2.248 1.064 0.534 1.000 0.677 CB 1.661 32 residues pruned to eliminate duplicates Z: 33 31.399 2.159 0.594 0.517 0.938 0.469 CB 1.692 10 residues pruned to eliminate duplicates Z: 82 69.976 2.270 0.961 0.580 0.963 0.691 CB 1.679 80 residues pruned to eliminate duplicates Z: 7 13.646 1.992 0.462 0.819 1.000 0.833 C 1.450 7 residues pruned to eliminate duplicates Z: 7 11.299 1.876 0.519 0.808 1.000 0.500 CA 1.238 7 residues pruned to eliminate duplicates Z: 34 53.798 2.345 0.954 0.691 0.970 0.758 CB 1.770 34 residues pruned to eliminate duplicates Z: 18 18.549 2.019 0.456 0.485 0.941 0.471 CB 1.650 18 residues pruned to eliminate duplicates Z: 61 54.013 2.221 0.963 0.557 0.950 0.767 CB 1.593 61 residues pruned to eliminate duplicates Z: 83 54.200 2.209 0.854 0.559 0.915 0.671 CB 1.508 52 residues pruned to eliminate duplicates Z: 11 18.928 2.014 0.861 0.888 0.900 0.500 CB 1.278 11 residues pruned to eliminate duplicates Z: 15 19.147 2.061 0.572 0.850 0.857 0.786 CB 1.366 15 residues pruned to eliminate duplicates Z: 15 30.118 2.174 0.763 0.876 1.000 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 29 20.679 1.968 0.419 0.490 0.893 0.464 CB 1.584 29 residues pruned to eliminate duplicates Z: 14 19.385 2.173 0.878 0.451 0.923 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 129 78.731 2.286 0.847 0.591 0.922 0.664 CB 1.639 129 residues pruned to eliminate duplicates Z: 18 31.030 2.229 0.692 0.846 0.882 0.765 CA 1.680 18 residues pruned to eliminate duplicates Z: 44 58.405 2.330 1.038 0.664 0.930 0.767 CB 1.733 44 residues pruned to eliminate duplicates Z: 6 6.004 1.707 0.167 0.713 0.800 0.400 CA 1.388 6 residues pruned to eliminate duplicates Z: 15 24.681 2.295 0.468 0.605 0.929 0.786 C 1.907 15 residues pruned to eliminate duplicates Z: 17 30.894 2.106 0.730 0.866 0.938 0.500 CB 1.655 17 residues pruned to eliminate duplicates Z: 11 22.446 2.161 0.681 0.882 1.000 0.600 CA 1.414 12 residues pruned to eliminate duplicates Z: 16 32.582 2.352 0.846 0.809 0.867 0.733 CA 1.707 16 residues pruned to eliminate duplicates Z: 11 21.001 2.068 0.705 0.761 0.900 0.800 CA 1.659 Z: 24 25.331 2.122 0.346 0.588 1.000 0.609 CA 1.700 24 residues pruned to eliminate duplicates Z: 22 27.065 2.165 0.509 0.591 0.952 0.619 CB 1.740 22 residues pruned to eliminate duplicates Z: 31 21.109 2.023 0.407 0.521 0.967 0.633 CB 1.372 31 residues pruned to eliminate duplicates Z: 15 30.421 2.315 0.514 0.834 0.929 0.571 CA 1.872 15 residues pruned to eliminate duplicates Z: 13 24.024 2.132 1.343 0.427 1.000 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 26 27.984 2.039 0.531 0.628 1.000 0.680 CB 1.590 26 residues pruned to eliminate duplicates Z: 82 69.299 2.230 1.033 0.580 0.951 0.630 CB 1.654 82 residues pruned to eliminate duplicates Z: 82 60.276 2.250 0.761 0.599 0.951 0.667 CB 1.619 82 residues pruned to eliminate duplicates Z: 16 33.157 2.254 0.600 0.876 1.000 0.667 CA 1.725 16 residues pruned to eliminate duplicates Z: 33 43.333 2.218 1.023 0.522 0.969 0.688 CB 1.724 33 residues pruned to eliminate duplicates Z: 18 35.152 2.258 0.898 0.748 0.941 0.529 CA 1.694 18 residues pruned to eliminate duplicates Z: 16 29.479 2.174 0.550 0.834 1.000 0.667 CA 1.692 16 residues pruned to eliminate duplicates Z: 18 35.592 2.320 0.868 0.814 0.882 0.765 CA 1.717 18 residues pruned to eliminate duplicates Z: 16 34.851 2.335 0.787 0.823 0.933 0.733 CA 1.746 16 residues pruned to eliminate duplicates Z: 10 16.886 2.210 0.366 0.833 0.889 0.667 CA 1.573 10 residues pruned to eliminate duplicates Z: 16 34.409 2.337 0.726 0.827 0.933 0.800 CA 1.778 16 residues pruned to eliminate duplicates Z: 47 39.019 2.244 0.774 0.497 0.913 0.674 CB 1.587 47 residues pruned to eliminate duplicates Z: 81 59.393 2.225 0.906 0.582 0.925 0.688 CB 1.564 81 residues pruned to eliminate duplicates Z: 22 24.691 1.973 0.807 0.663 0.905 0.714 CA 1.436 12 residues pruned to eliminate duplicates Z: 100 62.836 2.257 0.872 0.548 0.899 0.677 CB 1.586 101 residues pruned to eliminate duplicates Z: 16 31.072 2.253 0.621 0.854 0.933 0.667 CA 1.737 16 residues pruned to eliminate duplicates Z: 46 57.420 2.335 0.973 0.641 0.956 0.622 CB 1.705 46 residues pruned to eliminate duplicates Z: 16 39.846 2.366 0.830 0.852 1.000 0.800 CB 1.758 16 residues pruned to eliminate duplicates Z: 24 37.746 2.213 0.894 0.750 0.913 0.609 CA 1.646 24 residues pruned to eliminate duplicates Z: 32 19.102 1.972 0.449 0.487 0.903 0.484 CB 1.347 27 residues pruned to eliminate duplicates Z: 84 58.261 2.198 0.847 0.594 0.928 0.687 CB 1.552 84 residues pruned to eliminate duplicates Z: 12 20.684 2.045 0.797 0.793 0.909 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 37 38.977 2.214 1.044 0.511 0.944 0.556 CB 1.503 37 residues pruned to eliminate duplicates Z: 28 20.989 2.176 0.336 0.548 0.926 0.519 CB 1.432 33 residues pruned to eliminate duplicates Z: 17 28.661 2.266 0.521 0.825 0.938 0.750 CA 1.674 17 residues pruned to eliminate duplicates Z: 10 18.875 2.131 0.386 0.884 1.000 0.556 CB 1.539 10 residues pruned to eliminate duplicates Z: 13 13.232 2.153 0.632 0.377 0.833 0.500 CB 1.487 13 residues pruned to eliminate duplicates Z: 27 24.444 2.070 0.417 0.538 0.962 0.538 CB 1.637 27 residues pruned to eliminate duplicates Z: 16 19.435 2.125 1.050 0.436 0.800 0.667 CB 1.538 16 residues pruned to eliminate duplicates Z: 43 49.330 2.245 1.086 0.582 0.929 0.762 CB 1.618 43 residues pruned to eliminate duplicates Z: 14 19.915 2.093 0.889 0.471 0.846 0.692 CB 1.700 14 residues pruned to eliminate duplicates Z: 12 15.580 2.031 0.443 0.746 1.000 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 17 24.625 2.091 0.368 0.839 1.000 0.688 CA 1.607 17 residues pruned to eliminate duplicates Z: 16 31.035 2.170 0.743 0.840 0.933 0.667 CA 1.693 16 residues pruned to eliminate duplicates Z: 81 62.076 2.217 0.940 0.567 0.938 0.663 CB 1.613 81 residues pruned to eliminate duplicates Z: 21 21.861 1.946 0.764 0.678 0.900 0.750 CA 1.343 21 residues pruned to eliminate duplicates Z: 32 46.837 2.252 0.917 0.713 1.000 0.710 CB 1.607 33 residues pruned to eliminate duplicates Z: 9 15.019 2.170 0.372 0.817 0.875 0.625 CA 1.549 9 residues pruned to eliminate duplicates Z: 17 27.833 2.107 0.671 0.838 0.938 0.625 CB 1.575 17 residues pruned to eliminate duplicates Z: 11 12.343 1.961 0.690 0.804 0.900 0.600 CB 1.004 11 residues pruned to eliminate duplicates Z: 11 15.353 1.826 0.503 0.892 0.900 0.900 CA 1.412 11 residues pruned to eliminate duplicates Z: 11 18.110 2.029 0.534 0.835 0.900 0.700 CA 1.531 11 residues pruned to eliminate duplicates Z: 83 61.261 2.212 1.002 0.591 0.915 0.695 CB 1.530 78 residues pruned to eliminate duplicates Z: 19 24.629 2.069 0.684 0.750 0.944 0.500 CA 1.411 19 residues pruned to eliminate duplicates Z: 29 20.738 2.121 0.472 0.575 0.857 0.536 CB 1.363 29 residues pruned to eliminate duplicates Z: 46 53.468 2.300 0.905 0.627 0.933 0.711 CB 1.729 46 residues pruned to eliminate duplicates Z: 21 25.558 1.964 0.906 0.670 0.900 0.750 CB 1.449 21 residues pruned to eliminate duplicates Z: 15 13.537 1.604 0.547 0.835 0.929 0.786 CB 1.176 15 residues pruned to eliminate duplicates Z: 33 30.475 2.212 0.566 0.564 0.938 0.625 CB 1.558 33 residues pruned to eliminate duplicates Z: 58 42.999 2.195 0.757 0.525 0.947 0.649 CB 1.521 58 residues pruned to eliminate duplicates Z: 11 20.311 2.008 0.659 0.867 1.000 0.600 CB 1.410 11 residues pruned to eliminate duplicates Z: 17 28.436 2.071 0.618 0.798 0.938 0.688 CB 1.743 17 residues pruned to eliminate duplicates Z: 39 38.351 2.215 0.855 0.523 0.947 0.737 CB 1.562 39 residues pruned to eliminate duplicates Z: 98 64.502 2.244 0.860 0.574 0.938 0.742 CB 1.558 98 residues pruned to eliminate duplicates Z: 78 63.115 2.234 0.933 0.608 0.948 0.714 CB 1.586 82 residues pruned to eliminate duplicates Z: 14 14.561 2.066 0.666 0.444 0.923 0.615 CB 1.346 14 residues pruned to eliminate duplicates Z: 13 22.397 2.016 1.241 0.541 0.917 0.667 CB 1.500 13 residues pruned to eliminate duplicates Z: 16 24.045 2.195 0.706 0.476 1.000 0.600 CB 1.700 16 residues pruned to eliminate duplicates Z: 65 47.719 2.198 0.975 0.477 0.906 0.719 CB 1.551 65 residues pruned to eliminate duplicates Z: 10 18.700 2.130 0.491 0.874 1.000 0.778 CA 1.428 10 residues pruned to eliminate duplicates Z: 132 80.043 2.248 0.898 0.592 0.931 0.702 CB 1.612 132 residues pruned to eliminate duplicates Z: 10 20.855 2.141 0.572 0.918 1.000 0.889 CB 1.456 10 residues pruned to eliminate duplicates Z: 17 17.175 2.252 0.694 0.452 0.750 0.688 CA 1.577 17 residues pruned to eliminate duplicates Z: 43 61.396 2.398 1.049 0.648 0.929 0.667 CB 1.809 43 residues pruned to eliminate duplicates Z: 16 30.011 2.187 0.688 0.814 1.000 0.667 CB 1.597 16 residues pruned to eliminate duplicates Z: 14 18.551 2.140 0.841 0.462 0.846 0.615 CB 1.604 14 residues pruned to eliminate duplicates Z: 47 53.929 2.261 0.987 0.650 0.913 0.696 CB 1.686 47 residues pruned to eliminate duplicates Z: 23 24.746 1.911 0.741 0.614 1.000 0.682 CA 1.424 21 residues pruned to eliminate duplicates Z: 48 41.879 2.223 0.712 0.619 0.957 0.574 CB 1.499 48 residues pruned to eliminate duplicates Z: 33 34.003 2.159 0.792 0.524 0.875 0.656 CB 1.734 33 residues pruned to eliminate duplicates Z: 16 34.651 2.325 0.729 0.811 1.000 0.867 CA 1.698 20 residues pruned to eliminate duplicates Z: 87 52.577 2.185 0.852 0.552 0.907 0.709 CB 1.469 87 residues pruned to eliminate duplicates Z: 32 53.756 2.365 0.965 0.689 1.000 0.581 CB 1.747 32 residues pruned to eliminate duplicates Z: 58 45.960 2.179 0.950 0.526 0.930 0.737 CB 1.501 58 residues pruned to eliminate duplicates Z: 47 60.358 2.324 1.052 0.638 0.957 0.739 CB 1.715 47 residues pruned to eliminate duplicates Z: 38 42.154 2.187 1.081 0.533 0.946 0.649 CB 1.559 38 residues pruned to eliminate duplicates Z: 16 28.896 2.237 0.537 0.836 1.000 0.667 CA 1.623 16 residues pruned to eliminate duplicates Z: 54 35.792 2.158 0.667 0.502 0.925 0.623 CB 1.475 54 residues pruned to eliminate duplicates Z: 34 33.879 2.142 0.737 0.493 0.970 0.545 CB 1.646 33 residues pruned to eliminate duplicates Z: 12 13.445 1.995 0.248 0.801 1.000 0.727 CB 1.251 12 residues pruned to eliminate duplicates Z: 15 40.756 2.304 1.119 0.871 1.000 0.929 CB 1.627 15 residues pruned to eliminate duplicates Z: 79 64.897 2.257 0.889 0.606 0.987 0.705 CB 1.578 80 residues pruned to eliminate duplicates Z: 11 19.576 2.142 1.136 0.523 0.900 0.700 CB 1.470 11 residues pruned to eliminate duplicates Z: 95 64.220 2.232 0.909 0.564 0.904 0.660 CB 1.616 94 residues pruned to eliminate duplicates Z: 66 35.288 2.103 0.574 0.531 0.908 0.569 CB 1.413 102 residues pruned to eliminate duplicates Z: 8 12.346 1.856 0.492 0.754 1.000 0.857 CA 1.344 8 residues pruned to eliminate duplicates Z: 11 14.052 2.091 0.623 0.851 0.800 0.700 CB 1.211 11 residues pruned to eliminate duplicates Z: 21 22.979 1.937 0.843 0.694 0.900 0.800 CA 1.339 21 residues pruned to eliminate duplicates Z: 12 14.611 1.881 0.343 0.850 1.000 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 8 8.020 1.810 0.229 0.681 0.857 0.714 C 1.347 8 residues pruned to eliminate duplicates Z: 24 23.675 1.871 0.881 0.580 0.913 0.652 CA 1.423 24 residues pruned to eliminate duplicates Z: 56 44.032 2.181 0.839 0.525 0.927 0.636 CB 1.557 56 residues pruned to eliminate duplicates Z: 6 14.271 2.072 0.385 0.805 1.000 0.800 C 1.703 6 residues pruned to eliminate duplicates Z: 47 56.658 2.356 0.985 0.607 0.913 0.630 CB 1.768 47 residues pruned to eliminate duplicates Z: 6 7.550 2.237 0.678 0.404 0.800 0.600 CA 1.244 6 residues pruned to eliminate duplicates Z: 58 37.813 2.164 0.738 0.577 0.895 0.614 CB 1.381 58 residues pruned to eliminate duplicates Z: 26 25.125 2.065 0.605 0.599 0.840 0.640 CB 1.642 26 residues pruned to eliminate duplicates Z: 10 20.318 2.221 1.090 0.497 0.889 0.667 CB 1.646 10 residues pruned to eliminate duplicates Z: 34 33.699 2.147 0.861 0.531 0.879 0.727 CB 1.619 34 residues pruned to eliminate duplicates Z: 11 15.576 1.999 0.582 0.883 1.000 0.700 CB 1.126 11 residues pruned to eliminate duplicates Z: 54 43.747 2.245 0.870 0.464 0.906 0.717 CB 1.639 54 residues pruned to eliminate duplicates Z: 18 12.523 1.803 0.414 0.610 0.941 0.588 CB 1.141 Z: 15 26.425 2.047 0.690 0.850 1.000 0.500 CB 1.513 15 residues pruned to eliminate duplicates Z: 13 15.381 1.867 0.289 0.858 0.917 0.667 CB 1.481 13 residues pruned to eliminate duplicates Z: 48 41.947 2.216 0.934 0.543 0.894 0.702 CB 1.532 48 residues pruned to eliminate duplicates Z: 16 19.288 2.019 0.762 0.599 0.867 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 13 20.054 2.047 0.958 0.483 0.917 0.667 CB 1.604 16 residues pruned to eliminate duplicates Z: 129 75.486 2.285 0.756 0.598 0.914 0.719 CB 1.657 129 residues pruned to eliminate duplicates Z: 59 33.740 2.115 0.621 0.573 0.879 0.603 CB 1.370 59 residues pruned to eliminate duplicates Z: 11 24.090 2.057 1.173 0.707 0.900 0.800 CB 1.569 11 residues pruned to eliminate duplicates Z: 135 79.140 2.249 0.887 0.600 0.933 0.657 CB 1.570 135 residues pruned to eliminate duplicates Z: 11 14.045 2.080 0.528 0.844 0.900 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 40 32.412 2.127 0.704 0.587 0.897 0.641 CB 1.469 35 residues pruned to eliminate duplicates Z: 19 22.110 2.201 0.865 0.452 0.833 0.556 CB 1.599 19 residues pruned to eliminate duplicates Z: 130 73.882 2.204 0.922 0.553 0.915 0.628 CB 1.593 130 residues pruned to eliminate duplicates Z: 83 64.614 2.251 0.907 0.574 0.951 0.683 CB 1.627 83 residues pruned to eliminate duplicates Z: 16 14.300 2.110 0.331 0.609 0.933 0.467 CB 1.271 12 residues pruned to eliminate duplicates Z: 15 33.604 2.246 0.779 0.896 1.000 0.929 CB 1.610 15 residues pruned to eliminate duplicates Z: 13 14.169 1.805 0.590 0.786 0.833 0.833 CA 1.331 13 residues pruned to eliminate duplicates Z: 11 14.640 1.991 0.306 0.914 1.000 0.900 CB 1.259 11 residues pruned to eliminate duplicates Z: 55 44.178 2.165 0.923 0.559 0.852 0.648 CB 1.601 55 residues pruned to eliminate duplicates Z: 16 23.894 2.147 0.512 0.881 1.000 0.667 CB 1.375 16 residues pruned to eliminate duplicates Z: 62 56.415 2.230 0.868 0.604 0.967 0.738 CB 1.623 57 residues pruned to eliminate duplicates Z: 13 16.793 2.151 0.774 0.346 0.917 0.667 CB 1.640 Z: 13 6.567 1.822 0.630 0.242 0.750 0.583 CB 1.147 13 residues pruned to eliminate duplicates Z: 124 67.084 2.215 0.872 0.541 0.902 0.602 CB 1.553 124 residues pruned to eliminate duplicates Z: 11 20.768 1.962 0.615 0.915 1.000 0.900 CB 1.466 11 residues pruned to eliminate duplicates Z: 14 18.596 2.358 0.400 0.592 1.000 0.692 CB 1.431 14 residues pruned to eliminate duplicates Z: 11 14.921 1.959 0.191 0.874 1.000 0.800 CB 1.471 11 residues pruned to eliminate duplicates Z: 10 16.202 2.119 0.777 0.867 0.778 0.444 CB 1.349 10 residues pruned to eliminate duplicates Z: 14 18.490 2.136 0.754 0.461 0.923 0.538 CB 1.543 14 residues pruned to eliminate duplicates Z: 16 38.064 2.356 0.805 0.830 1.000 0.800 CB 1.738 16 residues pruned to eliminate duplicates Z: 36 43.962 2.214 1.164 0.546 0.943 0.771 CB 1.573 36 residues pruned to eliminate duplicates Z: 10 4.973 1.905 0.068 0.512 0.778 0.444 CB 1.035 10 residues pruned to eliminate duplicates Z: 23 20.824 1.853 0.783 0.610 0.909 0.727 CA 1.331 24 residues pruned to eliminate duplicates Z: 80 56.692 2.244 0.783 0.607 0.937 0.722 CB 1.537 80 residues pruned to eliminate duplicates Z: 6 9.708 1.729 0.988 0.677 0.800 0.800 CA 1.341 6 residues pruned to eliminate duplicates Z: 25 26.155 2.086 0.577 0.602 0.917 0.542 CB 1.607 25 residues pruned to eliminate duplicates Z: 19 24.326 2.164 0.501 0.755 0.889 0.722 CA 1.582 19 residues pruned to eliminate duplicates Z: 112 54.737 2.141 0.708 0.504 0.919 0.658 CB 1.540 134 residues pruned to eliminate duplicates Z: 81 64.949 2.272 0.902 0.565 0.938 0.700 CB 1.683 81 residues pruned to eliminate duplicates Z: 81 61.485 2.237 0.806 0.598 0.963 0.700 CB 1.611 81 residues pruned to eliminate duplicates Z: 131 78.076 2.251 0.865 0.586 0.915 0.700 CB 1.641 131 residues pruned to eliminate duplicates Z: 50 39.376 2.137 0.804 0.529 0.918 0.755 CB 1.544 50 residues pruned to eliminate duplicates Z: 13 19.108 1.923 0.905 0.666 0.917 0.917 CB 1.409 Z: 49 53.358 2.327 0.883 0.622 0.917 0.792 CB 1.708 49 residues pruned to eliminate duplicates Z: 32 53.823 2.379 0.947 0.693 0.968 0.645 CB 1.807 32 residues pruned to eliminate duplicates Z: 18 34.457 2.243 0.878 0.813 0.882 0.765 CB 1.713 18 residues pruned to eliminate duplicates Z: 23 23.391 1.927 0.964 0.606 0.955 0.818 CB 1.248 13 residues pruned to eliminate duplicates Z: 13 18.935 1.848 0.956 0.712 1.000 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 8 10.612 2.212 0.089 0.846 0.714 0.714 CB 1.732 8 residues pruned to eliminate duplicates Z: 21 24.865 1.981 0.796 0.681 0.950 0.850 CB 1.393 21 residues pruned to eliminate duplicates Z: 28 22.760 2.016 0.473 0.521 0.889 0.593 CB 1.626 28 residues pruned to eliminate duplicates Z: 11 13.364 1.981 0.112 0.851 1.000 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 79 62.007 2.205 0.928 0.615 0.936 0.718 CB 1.582 78 residues pruned to eliminate duplicates Z: 23 20.670 1.918 0.851 0.617 0.864 0.727 CB 1.287 24 residues pruned to eliminate duplicates Z: 32 19.433 2.049 0.460 0.500 0.871 0.645 CB 1.339 Z: 89 52.894 2.178 0.768 0.560 0.920 0.648 CB 1.501 89 residues pruned to eliminate duplicates Z: 42 46.691 2.255 1.018 0.580 0.927 0.683 CB 1.601 42 residues pruned to eliminate duplicates Z: 59 50.478 2.242 0.779 0.621 0.948 0.690 CB 1.564 59 residues pruned to eliminate duplicates Z: 10 17.068 2.053 0.615 0.899 0.889 0.778 CA 1.380 10 residues pruned to eliminate duplicates Z: 18 31.467 2.259 0.636 0.773 0.941 0.706 CB 1.724 18 residues pruned to eliminate duplicates Z: 85 60.579 2.259 0.783 0.593 0.952 0.690 CB 1.577 83 residues pruned to eliminate duplicates Z: 17 30.094 2.252 0.670 0.802 0.938 0.812 CA 1.639 17 residues pruned to eliminate duplicates Z: 36 41.118 2.205 0.959 0.535 0.971 0.743 CB 1.601 36 residues pruned to eliminate duplicates Z: 12 19.630 2.225 0.773 0.566 0.909 0.727 CB 1.547 12 residues pruned to eliminate duplicates Z: 37 24.003 1.994 0.592 0.510 0.889 0.417 CB 1.403 32 residues pruned to eliminate duplicates Z: 60 42.114 2.157 0.766 0.586 0.898 0.610 CB 1.475 60 residues pruned to eliminate duplicates Z: 13 10.392 1.647 0.574 0.515 0.917 0.667 CB 1.243 13 residues pruned to eliminate duplicates Z: 12 18.905 1.959 0.942 0.867 0.909 0.727 CB 1.206 12 residues pruned to eliminate duplicates Z: 19 27.817 2.153 0.749 0.741 0.889 0.611 CA 1.578 19 residues pruned to eliminate duplicates Z: 35 18.668 1.937 0.608 0.387 0.882 0.441 CB 1.314 35 residues pruned to eliminate duplicates Z: 39 40.670 2.164 0.942 0.537 0.974 0.711 CB 1.555 39 residues pruned to eliminate duplicates Z: 43 47.487 2.188 1.153 0.542 0.952 0.738 CB 1.566 43 residues pruned to eliminate duplicates Z: 86 57.508 2.233 0.787 0.590 0.929 0.682 CB 1.543 86 residues pruned to eliminate duplicates Z: 30 24.838 2.126 0.559 0.475 0.897 0.483 CB 1.592 30 residues pruned to eliminate duplicates Z: 33 53.341 2.344 1.004 0.678 0.969 0.500 CB 1.758 33 residues pruned to eliminate duplicates Z: 17 28.130 2.218 0.519 0.773 0.938 0.688 CB 1.749 17 residues pruned to eliminate duplicates Z: 30 29.616 2.326 0.615 0.517 0.897 0.655 CB 1.605 38 residues pruned to eliminate duplicates Z: 46 37.145 2.170 0.694 0.619 0.889 0.689 CB 1.514 46 residues pruned to eliminate duplicates Z: 11 19.089 1.973 0.687 0.891 1.000 0.900 CB 1.304 11 residues pruned to eliminate duplicates Z: 73 52.633 2.227 0.743 0.608 0.903 0.653 CB 1.598 73 residues pruned to eliminate duplicates Z: 13 19.965 1.851 0.856 0.701 1.000 0.750 CA 1.396 13 residues pruned to eliminate duplicates Z: 38 25.795 2.141 0.483 0.426 0.946 0.514 CB 1.524 39 residues pruned to eliminate duplicates Z: 40 39.882 2.133 0.869 0.547 0.949 0.744 CB 1.613 40 residues pruned to eliminate duplicates Z: 52 33.733 2.212 0.518 0.572 0.922 0.667 CB 1.424 52 residues pruned to eliminate duplicates Z: 39 31.289 2.154 0.626 0.511 0.974 0.711 CB 1.473 42 residues pruned to eliminate duplicates Z: 15 13.388 1.964 0.362 0.605 0.857 0.429 CA 1.413 15 residues pruned to eliminate duplicates Z: 85 60.148 2.255 0.822 0.550 0.929 0.679 CB 1.638 85 residues pruned to eliminate duplicates Z: 6 5.732 1.484 0.342 0.641 1.000 0.400 CB 1.128 6 residues pruned to eliminate duplicates Z: 19 29.694 2.139 0.728 0.803 1.000 0.667 CA 1.453 19 residues pruned to eliminate duplicates Z: 22 24.084 1.993 0.844 0.616 0.952 0.667 CB 1.345 22 residues pruned to eliminate duplicates Z: 26 28.521 2.280 0.536 0.479 0.920 0.600 CB 1.810 24 residues pruned to eliminate duplicates Z: 63 64.686 2.324 1.000 0.570 0.935 0.661 CB 1.766 63 residues pruned to eliminate duplicates Z: 35 31.102 2.155 0.874 0.432 0.912 0.618 CB 1.555 35 residues pruned to eliminate duplicates Z: 13 17.047 1.906 0.436 0.800 0.917 0.583 CB 1.509 13 residues pruned to eliminate duplicates Z: 15 36.126 2.269 0.872 0.888 1.000 0.786 CB 1.637 15 residues pruned to eliminate duplicates Z: 17 18.982 2.210 0.177 0.778 0.875 0.688 CA 1.631 17 residues pruned to eliminate duplicates Z: 6 10.281 1.850 0.280 0.745 1.000 0.800 C 1.560 6 residues pruned to eliminate duplicates Z: 7 10.522 1.939 0.478 0.805 1.000 0.500 CA 1.149 7 residues pruned to eliminate duplicates Z: 20 34.822 2.271 0.653 0.755 1.000 0.684 CB 1.697 21 residues pruned to eliminate duplicates Z: 12 7.379 1.683 0.336 0.502 0.909 0.636 CB 1.086 12 residues pruned to eliminate duplicates Z: 10 25.890 2.151 0.876 0.706 1.000 1.000 CB 1.773 10 residues pruned to eliminate duplicates Z: 18 26.603 2.152 0.442 0.826 0.941 0.824 CB 1.665 18 residues pruned to eliminate duplicates Z: 16 32.705 2.198 0.859 0.823 0.933 0.867 CA 1.673 16 residues pruned to eliminate duplicates Z: 18 23.478 2.157 0.503 0.801 0.824 0.706 CA 1.639 18 residues pruned to eliminate duplicates Z: 10 14.619 2.125 0.789 0.777 0.778 0.444 CB 1.291 10 residues pruned to eliminate duplicates Z: 45 31.547 2.092 0.753 0.531 0.932 0.750 CB 1.350 45 residues pruned to eliminate duplicates Z: 19 32.536 2.148 0.873 0.744 0.889 0.667 CA 1.723 19 residues pruned to eliminate duplicates Z: 45 43.374 2.194 0.950 0.487 0.955 0.727 CB 1.621 45 residues pruned to eliminate duplicates Z: 38 36.412 2.169 0.822 0.477 0.919 0.649 CB 1.688 38 residues pruned to eliminate duplicates Z: 11 26.900 2.202 1.089 0.687 1.000 1.000 CB 1.558 11 residues pruned to eliminate duplicates Z: 13 20.787 2.209 0.861 0.477 0.917 0.750 CB 1.630 13 residues pruned to eliminate duplicates Z: 17 22.259 2.078 0.499 0.810 0.938 0.625 CA 1.455 17 residues pruned to eliminate duplicates Z: 12 17.368 1.893 0.445 0.790 1.000 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 9 4.180 1.707 0.148 0.300 0.750 0.500 CA 1.257 Z: 10 25.156 2.364 0.860 0.776 1.000 0.556 CA 1.494 10 residues pruned to eliminate duplicates Z: 49 54.392 2.323 0.965 0.574 0.917 0.625 CB 1.746 49 residues pruned to eliminate duplicates Z: 17 23.041 1.953 0.509 0.879 1.000 1.000 CA 1.418 17 residues pruned to eliminate duplicates Z: 6 4.712 1.389 0.453 0.642 0.800 0.600 N 1.142 6 residues pruned to eliminate duplicates Z: 25 18.546 1.876 0.753 0.540 0.875 0.708 CB 1.265 25 residues pruned to eliminate duplicates Z: 29 42.059 2.292 0.788 0.675 0.929 0.607 CA 1.778 29 residues pruned to eliminate duplicates Z: 11 17.255 1.954 0.596 0.831 0.900 0.400 CA 1.460 11 residues pruned to eliminate duplicates Z: 7 10.222 1.839 0.345 0.874 1.000 0.833 CA 1.227 7 residues pruned to eliminate duplicates Z: 61 57.697 2.247 1.032 0.560 0.933 0.617 CB 1.648 61 residues pruned to eliminate duplicates Z: 7 5.413 1.651 0.404 0.519 0.833 0.667 CB 1.123 7 residues pruned to eliminate duplicates Z: 35 30.095 2.086 0.563 0.655 0.912 0.735 CB 1.503 35 residues pruned to eliminate duplicates Z: 32 18.362 1.971 0.547 0.502 0.806 0.581 CB 1.338 32 residues pruned to eliminate duplicates Z: 16 17.325 2.084 0.442 0.572 0.867 0.733 CB 1.602 16 residues pruned to eliminate duplicates Z: 14 12.721 1.914 0.343 0.758 0.769 0.538 CB 1.418 14 residues pruned to eliminate duplicates Z: 12 27.650 2.251 1.129 0.690 0.909 0.727 CB 1.608 12 residues pruned to eliminate duplicates Z: 18 22.657 2.075 0.596 0.767 0.882 0.471 CB 1.484 18 residues pruned to eliminate duplicates Z: 15 26.620 2.264 0.480 0.884 0.929 0.786 CB 1.651 15 residues pruned to eliminate duplicates Z: 7 10.566 1.862 0.444 0.605 1.000 0.667 CA 1.452 7 residues pruned to eliminate duplicates Z: 47 55.233 2.325 0.976 0.606 0.957 0.674 CB 1.676 47 residues pruned to eliminate duplicates Z: 16 27.365 2.151 0.620 0.832 0.933 0.800 CA 1.631 16 residues pruned to eliminate duplicates Z: 12 11.980 1.813 0.509 0.608 1.000 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 74 51.910 2.172 0.787 0.616 0.918 0.671 CB 1.528 74 residues pruned to eliminate duplicates Z: 17 22.285 2.142 0.410 0.592 0.938 0.688 C 1.801 17 residues pruned to eliminate duplicates Z: 89 52.422 2.181 0.814 0.541 0.909 0.659 CB 1.493 89 residues pruned to eliminate duplicates Z: 74 54.734 2.221 0.729 0.612 0.945 0.712 CB 1.587 74 residues pruned to eliminate duplicates Z: 11 29.107 2.149 1.331 0.731 0.900 0.900 CA 1.659 11 residues pruned to eliminate duplicates Z: 34 33.784 2.038 0.869 0.522 0.970 0.697 CB 1.558 34 residues pruned to eliminate duplicates Z: 29 46.743 2.367 0.895 0.690 0.929 0.786 CA 1.782 29 residues pruned to eliminate duplicates Z: 134 80.675 2.227 0.903 0.590 0.940 0.707 CB 1.611 134 residues pruned to eliminate duplicates Z: 7 5.379 1.909 0.712 0.223 0.667 0.500 CB 1.394 7 residues pruned to eliminate duplicates Z: 10 14.942 1.930 0.414 0.856 1.000 0.667 CB 1.346 10 residues pruned to eliminate duplicates Z: 8 4.237 1.620 0.311 0.240 0.857 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 25 22.434 1.872 0.869 0.546 0.958 0.667 CB 1.306 23 residues pruned to eliminate duplicates Z: 35 50.054 2.320 1.216 0.615 0.912 0.676 CB 1.643 35 residues pruned to eliminate duplicates Z: 18 21.754 2.134 0.659 0.504 0.941 0.588 CB 1.577 18 residues pruned to eliminate duplicates Z: 7 5.239 1.557 0.683 0.249 0.833 0.667 CB 1.308 7 residues pruned to eliminate duplicates Z: 31 20.906 2.066 0.409 0.508 0.933 0.667 CB 1.395 31 residues pruned to eliminate duplicates Z: 81 64.018 2.266 0.995 0.556 0.900 0.700 CB 1.665 81 residues pruned to eliminate duplicates Z: 28 60.181 2.456 1.046 0.707 1.000 0.704 CB 1.910 28 residues pruned to eliminate duplicates Z: 15 12.837 1.787 0.637 0.350 1.000 0.429 CA 1.380 15 residues pruned to eliminate duplicates Z: 65 53.887 2.189 1.005 0.567 0.938 0.703 CB 1.535 65 residues pruned to eliminate duplicates Z: 88 55.942 2.205 0.821 0.565 0.920 0.678 CB 1.524 88 residues pruned to eliminate duplicates Z: 46 38.875 2.200 0.647 0.643 0.911 0.578 CB 1.536 46 residues pruned to eliminate duplicates Z: 37 31.657 2.220 0.627 0.567 0.944 0.667 CB 1.449 37 residues pruned to eliminate duplicates Z: 7 3.058 1.384 0.119 0.508 0.833 0.500 N 0.959 Z: 17 21.111 2.109 0.654 0.676 0.938 0.688 CB 1.373 17 residues pruned to eliminate duplicates Z: 9 2.651 1.521 -0.142 0.624 0.875 0.875 N 0.730 Z: 27 32.850 2.053 0.861 0.570 0.962 0.654 CB 1.640 27 residues pruned to eliminate duplicates Z: 29 23.129 1.961 0.609 0.503 0.893 0.643 CA 1.547 29 residues pruned to eliminate duplicates Z: 19 32.501 2.199 0.805 0.794 0.889 0.611 CA 1.679 19 residues pruned to eliminate duplicates Z: 14 16.396 1.734 0.799 0.709 1.000 1.000 CB 1.206 14 residues pruned to eliminate duplicates Z: 24 44.183 2.291 0.869 0.711 1.000 0.652 CB 1.777 24 residues pruned to eliminate duplicates Z: 14 16.465 2.074 0.729 0.504 0.769 0.769 CA 1.650 14 residues pruned to eliminate duplicates Z: 12 30.916 2.195 0.973 0.793 1.000 0.455 CA 1.665 12 residues pruned to eliminate duplicates Z: 71 49.545 2.240 0.753 0.547 0.929 0.729 CB 1.551 71 residues pruned to eliminate duplicates Z: 18 31.292 2.168 0.711 0.794 1.000 0.824 CB 1.581 18 residues pruned to eliminate duplicates Z: 18 27.379 2.164 0.890 0.615 0.941 0.647 CB 1.547 18 residues pruned to eliminate duplicates Z: 82 63.499 2.237 0.890 0.569 0.938 0.716 CB 1.664 82 residues pruned to eliminate duplicates Z: 130 77.339 2.246 0.888 0.595 0.930 0.636 CB 1.577 130 residues pruned to eliminate duplicates Z: 27 16.875 2.028 0.668 0.417 0.846 0.500 CB 1.260 27 residues pruned to eliminate duplicates Z: 17 23.629 2.004 0.631 0.843 0.938 0.375 CB 1.436 17 residues pruned to eliminate duplicates Z: 18 41.882 2.285 0.980 0.825 0.941 0.824 CB 1.800 18 residues pruned to eliminate duplicates Z: 84 51.642 2.189 0.674 0.563 0.964 0.663 CB 1.510 83 residues pruned to eliminate duplicates Z: 61 50.232 2.217 0.758 0.641 0.950 0.750 CB 1.535 61 residues pruned to eliminate duplicates Z: 9 18.557 2.131 0.745 0.886 1.000 0.625 CB 1.273 9 residues pruned to eliminate duplicates Z: 83 61.241 2.245 0.841 0.550 0.951 0.659 CB 1.638 83 residues pruned to eliminate duplicates Z: 11 12.605 1.809 0.722 0.590 0.900 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 84 63.197 2.232 1.000 0.544 0.928 0.699 CB 1.604 84 residues pruned to eliminate duplicates Z: 10 12.735 1.864 0.975 0.535 0.778 0.667 CA 1.432 9 residues pruned to eliminate duplicates Z: 17 29.462 2.255 0.766 0.832 0.875 0.750 CA 1.586 17 residues pruned to eliminate duplicates Z: 131 73.460 2.223 0.852 0.583 0.931 0.631 CB 1.552 131 residues pruned to eliminate duplicates Z: 82 55.324 2.215 0.758 0.579 0.938 0.605 CB 1.559 82 residues pruned to eliminate duplicates Z: 80 50.679 2.189 0.764 0.557 0.911 0.620 CB 1.533 80 residues pruned to eliminate duplicates Z: 22 23.780 2.324 0.395 0.549 0.952 0.619 CB 1.601 22 residues pruned to eliminate duplicates Z: 10 13.796 1.879 0.568 0.697 1.000 0.778 CA 1.304 10 residues pruned to eliminate duplicates Z: 10 3.171 1.646 0.444 0.338 0.667 0.333 CB 0.796 10 residues pruned to eliminate duplicates Z: 19 23.076 2.078 0.388 0.797 0.944 0.722 CA 1.539 19 residues pruned to eliminate duplicates Z: 18 21.281 2.007 0.933 0.643 0.824 0.647 CA 1.414 18 residues pruned to eliminate duplicates Z: 58 52.139 2.231 0.903 0.574 0.895 0.667 CB 1.692 58 residues pruned to eliminate duplicates Z: 68 31.782 1.980 0.631 0.553 0.881 0.507 CB 1.296 68 residues pruned to eliminate duplicates Z: 6 9.236 1.840 0.248 0.763 1.000 0.800 C 1.425 6 residues pruned to eliminate duplicates 6 1.875 1.354 0.223 0.287 0.800 0.400 O 0.805 ? Z: 37 46.231 2.210 1.156 0.556 0.944 0.750 CB 1.622 37 residues pruned to eliminate duplicates Z: 12 23.705 2.277 1.023 0.619 0.909 0.818 CA 1.525 12 residues pruned to eliminate duplicates Z: 56 50.518 2.228 0.849 0.646 0.891 0.782 CB 1.620 56 residues pruned to eliminate duplicates Z: 42 33.662 2.150 0.682 0.495 0.951 0.683 CB 1.535 42 residues pruned to eliminate duplicates Z: 9 5.023 1.517 0.364 0.429 0.750 0.500 CB 1.231 9 residues pruned to eliminate duplicates Z: 41 39.399 2.134 0.996 0.495 0.950 0.750 CB 1.546 41 residues pruned to eliminate duplicates Z: 7 8.088 1.967 0.097 0.802 0.833 0.833 CB 1.411 7 residues pruned to eliminate duplicates Z: 45 44.117 2.152 1.106 0.522 0.932 0.727 CB 1.541 45 residues pruned to eliminate duplicates Z: 11 23.358 2.175 0.953 0.786 0.900 0.400 CA 1.502 11 residues pruned to eliminate duplicates Z: 10 4.069 1.534 0.113 0.509 1.000 0.556 CB 0.788 Z: 41 36.667 2.130 0.734 0.657 0.900 0.625 CB 1.507 41 residues pruned to eliminate duplicates Z: 57 54.750 2.319 0.805 0.550 0.929 0.625 CB 1.793 57 residues pruned to eliminate duplicates Z: 15 18.714 2.125 0.734 0.404 0.929 0.429 CB 1.616 15 residues pruned to eliminate duplicates Z: 10 10.956 1.904 0.432 0.625 0.889 0.778 CB 1.339 10 residues pruned to eliminate duplicates Z: 28 29.861 2.150 0.597 0.616 1.000 0.741 CB 1.499 28 residues pruned to eliminate duplicates Z: 11 12.717 1.843 0.511 0.765 0.900 0.400 CB 1.268 11 residues pruned to eliminate duplicates Z: 88 55.437 2.217 0.798 0.580 0.920 0.759 CB 1.500 88 residues pruned to eliminate duplicates Z: 11 11.811 1.960 0.304 0.900 0.900 0.800 CB 1.159 11 residues pruned to eliminate duplicates Z: 9 8.440 1.837 0.654 0.807 0.625 0.375 CB 1.202 9 residues pruned to eliminate duplicates Z: 27 24.148 2.005 0.680 0.541 0.923 0.462 CB 1.462 27 residues pruned to eliminate duplicates Z: 19 26.882 2.066 0.912 0.635 1.000 0.778 CA 1.413 19 residues pruned to eliminate duplicates Z: 8 8.863 2.075 0.830 0.293 0.857 0.286 CB 1.298 8 residues pruned to eliminate duplicates Z: 22 13.311 1.926 0.769 0.469 0.857 0.667 CB 1.027 22 residues pruned to eliminate duplicates Z: 22 31.282 2.044 1.422 0.573 0.857 0.667 CB 1.498 22 residues pruned to eliminate duplicates Z: 53 48.082 2.254 0.939 0.584 0.865 0.692 CB 1.626 53 residues pruned to eliminate duplicates Z: 123 65.447 2.184 0.799 0.543 0.934 0.607 CB 1.548 123 residues pruned to eliminate duplicates Z: 15 34.027 2.225 0.859 0.895 1.000 0.857 CB 1.576 15 residues pruned to eliminate duplicates Z: 37 35.460 2.100 0.673 0.621 0.944 0.583 CB 1.589 37 residues pruned to eliminate duplicates Z: 7 3.150 1.311 0.005 0.416 1.000 0.833 C 1.065 Z: 8 3.969 1.534 0.508 0.287 0.714 0.429 N 1.154 Z: 18 19.084 2.070 0.674 0.628 0.941 0.471 CB 1.258 18 residues pruned to eliminate duplicates Z: 21 25.308 2.182 0.899 0.474 0.900 0.700 CB 1.558 21 residues pruned to eliminate duplicates Z: 9 4.182 1.680 0.017 0.573 0.875 0.625 CB 0.921 9 residues pruned to eliminate duplicates Z: 11 4.536 1.648 0.377 0.253 0.700 0.500 CA 1.199 11 residues pruned to eliminate duplicates Z: 47 32.602 2.083 0.614 0.596 0.913 0.609 CB 1.428 46 residues pruned to eliminate duplicates 6 1.650 1.244 0.359 0.328 0.600 0.600 CA 0.879 ? Z: 11 18.787 2.062 0.874 0.576 0.900 0.700 CA 1.587 11 residues pruned to eliminate duplicates Z: 11 11.312 1.780 0.681 0.574 0.900 0.700 CB 1.236 11 residues pruned to eliminate duplicates Z: 13 33.207 2.245 0.832 0.930 1.000 0.833 CA 1.630 13 residues pruned to eliminate duplicates Z: 28 21.814 2.160 0.431 0.564 0.889 0.667 CB 1.436 28 residues pruned to eliminate duplicates Z: 44 59.614 2.295 1.006 0.677 0.953 0.721 CB 1.760 44 residues pruned to eliminate duplicates Z: 89 57.094 2.179 0.913 0.568 0.909 0.670 CB 1.504 89 residues pruned to eliminate duplicates Z: 23 25.544 2.216 0.660 0.461 0.909 0.682 CB 1.694 23 residues pruned to eliminate duplicates Z: 10 8.123 1.719 0.371 0.622 0.889 0.444 CB 1.152 10 residues pruned to eliminate duplicates Z: 40 39.245 2.164 0.939 0.551 0.949 0.769 CB 1.502 40 residues pruned to eliminate duplicates Z: 7 8.413 1.770 1.135 0.624 0.833 0.833 CB 0.971 Z: 45 45.149 2.182 0.910 0.518 0.955 0.705 CB 1.681 45 residues pruned to eliminate duplicates Z: 9 15.085 2.313 0.492 0.527 0.875 0.750 CA 1.720 9 residues pruned to eliminate duplicates Z: 22 26.069 2.126 1.047 0.398 0.905 0.667 CB 1.608 22 residues pruned to eliminate duplicates Z: 41 51.115 2.254 0.897 0.665 0.975 0.725 CB 1.664 41 residues pruned to eliminate duplicates Z: 80 54.409 2.197 0.856 0.535 0.911 0.722 CB 1.591 80 residues pruned to eliminate duplicates Z: 15 31.072 2.269 0.601 0.857 1.000 0.786 CB 1.684 15 residues pruned to eliminate duplicates Z: 14 17.565 2.027 0.799 0.567 0.846 0.769 CA 1.480 14 residues pruned to eliminate duplicates Z: 21 11.647 1.803 0.592 0.481 0.850 0.600 CB 1.088 21 residues pruned to eliminate duplicates Z: 89 56.624 2.180 0.880 0.506 0.920 0.659 CB 1.590 89 residues pruned to eliminate duplicates Z: 16 19.481 2.019 0.772 0.717 0.933 0.400 CB 1.238 16 residues pruned to eliminate duplicates Z: 14 32.790 2.344 0.694 0.872 0.923 0.769 CB 1.808 14 residues pruned to eliminate duplicates Z: 11 12.136 1.786 0.490 0.712 1.000 0.900 CA 1.190 11 residues pruned to eliminate duplicates Z: 48 51.314 2.281 0.893 0.599 0.936 0.681 CB 1.686 48 residues pruned to eliminate duplicates Z: 13 19.555 1.915 0.890 0.687 1.000 0.833 CB 1.314 13 residues pruned to eliminate duplicates Z: 30 17.358 2.058 0.279 0.542 0.828 0.621 CB 1.419 30 residues pruned to eliminate duplicates Z: 7 8.567 1.792 0.615 0.509 0.833 0.667 CB 1.437 8 residues pruned to eliminate duplicates Z: 10 4.605 1.542 0.645 0.402 0.889 0.444 CB 0.754 10 residues pruned to eliminate duplicates Z: 55 42.403 2.230 0.806 0.533 0.852 0.667 CB 1.629 55 residues pruned to eliminate duplicates Z: 33 33.052 2.111 0.657 0.674 0.906 0.719 CB 1.570 33 residues pruned to eliminate duplicates Z: 13 14.224 2.068 0.812 0.428 0.917 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 11 9.183 1.907 0.179 0.808 1.000 0.900 CB 0.987 11 residues pruned to eliminate duplicates 7 1.288 1.277 0.068 0.521 0.667 0.500 CB 0.566 ? Z: 128 84.709 2.248 0.932 0.616 0.961 0.701 CB 1.613 128 residues pruned to eliminate duplicates Z: 16 33.343 2.209 0.781 0.890 1.000 0.667 CB 1.574 16 residues pruned to eliminate duplicates Z: 11 11.372 1.792 0.540 0.605 0.900 0.900 CA 1.311 11 residues pruned to eliminate duplicates Z: 58 41.881 2.188 0.724 0.507 0.912 0.737 CB 1.601 58 residues pruned to eliminate duplicates Z: 8 3.407 1.517 1.206 0.550 0.857 0.714 N 0.428 Z: 95 79.767 2.281 1.045 0.603 0.979 0.691 CB 1.633 95 residues pruned to eliminate duplicates Z: 23 32.392 2.073 0.950 0.756 0.909 0.727 CA 1.497 23 residues pruned to eliminate duplicates Z: 11 5.881 1.803 0.510 0.332 0.600 0.500 CB 1.369 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 26.228 2.070 0.462 0.593 0.960 0.720 CB 1.651 26 residues pruned to eliminate duplicates Z: 20 19.321 1.954 0.556 0.529 0.947 0.421 CA 1.495 20 residues pruned to eliminate duplicates Z: 6 3.146 1.505 0.356 0.391 0.800 0.600 CB 0.967 6 residues pruned to eliminate duplicates Z: 25 24.636 2.096 0.409 0.589 0.958 0.583 CB 1.632 25 residues pruned to eliminate duplicates Z: 26 24.176 2.069 0.414 0.540 0.960 0.600 CB 1.654 26 residues pruned to eliminate duplicates Z: 33 30.803 2.152 0.694 0.497 0.906 0.500 CB 1.653 33 residues pruned to eliminate duplicates Z: 34 32.026 2.150 0.652 0.515 0.939 0.606 CB 1.646 34 residues pruned to eliminate duplicates Z: 18 15.032 1.872 0.446 0.518 0.941 0.529 CB 1.405 18 residues pruned to eliminate duplicates Z: 33 31.806 2.153 0.643 0.489 0.969 0.594 CB 1.659 33 residues pruned to eliminate duplicates Z: 25 27.913 2.148 0.495 0.569 0.958 0.542 CA 1.731 25 residues pruned to eliminate duplicates Z: 25 25.859 2.130 0.466 0.569 0.917 0.583 CB 1.724 25 residues pruned to eliminate duplicates Z: 34 32.282 2.132 0.561 0.503 1.000 0.636 CB 1.683 34 residues pruned to eliminate duplicates Z: 19 19.425 2.036 0.548 0.506 0.889 0.389 CA 1.624 19 residues pruned to eliminate duplicates Z: 28 23.693 2.026 0.499 0.494 0.926 0.667 CB 1.631 28 residues pruned to eliminate duplicates Z: 27 26.934 2.069 0.626 0.513 0.962 0.462 CB 1.611 27 residues pruned to eliminate duplicates Z: 33 34.858 2.163 0.662 0.512 0.969 0.625 CB 1.749 33 residues pruned to eliminate duplicates Z: 6 5.106 1.496 0.699 0.445 1.000 0.800 N 0.951 6 residues pruned to eliminate duplicates Z: 32 32.415 2.160 0.655 0.487 1.000 0.581 CB 1.650 32 residues pruned to eliminate duplicates Z: 35 32.496 2.113 0.648 0.529 0.971 0.588 CB 1.603 35 residues pruned to eliminate duplicates Z: 16 26.582 2.280 0.760 0.504 1.000 0.733 CB 1.703 16 residues pruned to eliminate duplicates Z: 16 28.952 2.275 0.850 0.489 1.000 0.733 CB 1.795 16 residues pruned to eliminate duplicates Z: 33 34.063 2.152 0.672 0.513 1.000 0.594 CB 1.652 33 residues pruned to eliminate duplicates Z: 35 36.617 2.088 0.836 0.554 0.971 0.588 CB 1.602 34 residues pruned to eliminate duplicates Z: 6 7.337 1.600 0.971 0.427 1.000 0.600 CA 1.122 6 residues pruned to eliminate duplicates Z: 35 32.318 2.105 0.685 0.529 0.941 0.588 CB 1.613 35 residues pruned to eliminate duplicates Z: 15 18.686 2.065 0.924 0.390 0.929 0.571 CB 1.521 15 residues pruned to eliminate duplicates Z: 14 18.259 2.097 0.896 0.363 0.923 0.538 CB 1.600 14 residues pruned to eliminate duplicates Z: 16 16.988 1.966 1.229 0.418 0.800 0.467 CB 1.364 16 residues pruned to eliminate duplicates Z: 6 6.370 1.767 0.917 0.195 1.000 0.400 CA 1.211 6 residues pruned to eliminate duplicates Z: 6 5.410 1.418 0.931 0.497 1.000 0.600 C 0.886 6 residues pruned to eliminate duplicates Z: 20 15.667 1.786 0.699 0.540 0.947 0.737 CB 1.202 20 residues pruned to eliminate duplicates Z: 23 20.742 1.923 0.841 0.560 0.864 0.727 CB 1.364 23 residues pruned to eliminate duplicates Z: 12 25.112 2.068 1.245 0.726 0.818 0.818 CA 1.626 12 residues pruned to eliminate duplicates Z: 21 21.909 1.926 0.780 0.632 0.900 0.650 CA 1.403 20 residues pruned to eliminate duplicates Z: 6 2.183 1.294 0.301 0.480 0.800 0.600 N 0.740 6 residues pruned to eliminate duplicates Z: 23 24.806 1.927 0.979 0.599 0.909 0.682 CB 1.387 23 residues pruned to eliminate duplicates Z: 22 26.575 1.953 1.074 0.611 0.952 0.810 CB 1.354 23 residues pruned to eliminate duplicates Z: 6 5.818 1.621 0.706 0.361 1.000 0.800 CA 1.093 6 residues pruned to eliminate duplicates Z: 23 22.266 1.903 0.982 0.603 0.909 0.682 CB 1.255 23 residues pruned to eliminate duplicates Z: 22 21.814 1.956 0.893 0.639 0.905 0.762 CB 1.247 24 residues pruned to eliminate duplicates Z: 6 6.922 1.735 0.556 0.357 1.000 0.600 CA 1.338 6 residues pruned to eliminate duplicates Z: 24 23.765 1.924 0.801 0.603 0.957 0.783 CB 1.356 23 residues pruned to eliminate duplicates Z: 7 6.123 1.665 0.509 0.352 1.000 0.333 CA 1.168 7 residues pruned to eliminate duplicates Z: 25 22.023 1.865 0.820 0.572 0.958 0.708 CB 1.289 25 residues pruned to eliminate duplicates Z: 10 12.073 1.969 0.553 0.544 0.889 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 24 25.166 1.949 0.873 0.595 0.957 0.739 CB 1.372 24 residues pruned to eliminate duplicates Z: 23 21.494 1.951 0.793 0.570 0.955 0.773 CB 1.283 23 residues pruned to eliminate duplicates Z: 26 21.417 1.874 0.861 0.532 0.960 0.680 CB 1.239 26 residues pruned to eliminate duplicates Z: 11 10.225 1.750 0.772 0.500 1.000 0.700 CB 1.042 11 residues pruned to eliminate duplicates Z: 11 12.638 1.895 0.681 0.611 0.900 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 21 36.180 2.202 0.877 0.764 1.000 0.550 CA 1.548 21 residues pruned to eliminate duplicates Z: 45 59.638 2.391 0.964 0.618 0.955 0.614 CB 1.794 45 residues pruned to eliminate duplicates Z: 127 76.587 2.305 0.799 0.589 0.913 0.611 CB 1.656 127 residues pruned to eliminate duplicates Z: 45 55.087 2.373 0.932 0.616 0.909 0.614 CA 1.786 45 residues pruned to eliminate duplicates Z: 49 55.025 2.296 0.888 0.634 0.958 0.667 CA 1.686 49 residues pruned to eliminate duplicates Z: 33 61.193 2.378 1.107 0.682 1.000 0.688 CB 1.826 34 residues pruned to eliminate duplicates Z: 17 44.894 2.373 1.084 0.790 0.938 0.625 CB 1.877 17 residues pruned to eliminate duplicates Z: 50 53.153 2.269 0.946 0.604 0.918 0.571 CA 1.696 50 residues pruned to eliminate duplicates Z: 51 54.881 2.309 0.972 0.597 0.900 0.600 CB 1.727 51 residues pruned to eliminate duplicates Z: 54 45.886 2.250 0.820 0.564 0.906 0.528 CB 1.597 54 residues pruned to eliminate duplicates Z: 129 77.745 2.298 0.866 0.593 0.898 0.641 CB 1.632 129 residues pruned to eliminate duplicates Z: 48 57.604 2.335 1.004 0.613 0.915 0.681 CA 1.763 48 residues pruned to eliminate duplicates Z: 34 55.965 2.360 1.057 0.656 0.970 0.697 CB 1.791 34 residues pruned to eliminate duplicates Z: 45 54.681 2.383 0.884 0.609 0.932 0.591 CA 1.778 45 residues pruned to eliminate duplicates Z: 45 62.009 2.379 0.996 0.649 0.955 0.636 CB 1.795 45 residues pruned to eliminate duplicates Z: 34 55.916 2.348 0.934 0.694 1.000 0.636 CA 1.795 34 residues pruned to eliminate duplicates Z: 33 57.640 2.383 1.047 0.659 1.000 0.625 CB 1.802 33 residues pruned to eliminate duplicates Z: 45 57.208 2.378 0.986 0.610 0.932 0.705 CB 1.766 45 residues pruned to eliminate duplicates Z: 46 57.635 2.363 0.953 0.625 0.956 0.667 CB 1.733 46 residues pruned to eliminate duplicates Z: 128 76.707 2.293 0.783 0.610 0.906 0.638 CB 1.656 128 residues pruned to eliminate duplicates Z: 47 60.439 2.361 1.017 0.628 0.957 0.696 CB 1.735 47 residues pruned to eliminate duplicates Z: 131 83.043 2.288 0.870 0.607 0.931 0.677 CB 1.652 131 residues pruned to eliminate duplicates Z: 48 54.058 2.328 0.966 0.585 0.936 0.574 CB 1.696 48 residues pruned to eliminate duplicates Z: 47 61.856 2.369 0.998 0.619 0.978 0.717 CB 1.760 47 residues pruned to eliminate duplicates Z: 47 55.966 2.359 0.870 0.599 0.978 0.609 CB 1.740 46 residues pruned to eliminate duplicates Z: 6 3.914 1.745 0.747 0.278 1.000 0.400 CA 0.738 6 residues pruned to eliminate duplicates Z: 48 51.556 2.317 0.885 0.598 0.957 0.766 CB 1.637 48 residues pruned to eliminate duplicates Z: 49 59.018 2.353 1.065 0.593 0.917 0.667 CB 1.751 49 residues pruned to eliminate duplicates Z: 56 56.247 2.263 0.967 0.575 0.945 0.709 CB 1.677 56 residues pruned to eliminate duplicates Z: 49 61.183 2.283 1.127 0.622 0.979 0.583 CB 1.655 49 residues pruned to eliminate duplicates Z: 45 59.879 2.360 0.974 0.647 0.955 0.682 CB 1.771 45 residues pruned to eliminate duplicates Z: 49 57.456 2.321 0.959 0.633 0.938 0.625 CB 1.718 49 residues pruned to eliminate duplicates Z: 129 79.484 2.297 0.855 0.605 0.914 0.648 CB 1.632 129 residues pruned to eliminate duplicates Z: 47 63.972 2.362 1.115 0.646 0.935 0.674 CB 1.763 47 residues pruned to eliminate duplicates Z: 13 22.895 2.298 0.915 0.577 0.833 0.833 CB 1.673 13 residues pruned to eliminate duplicates Z: 45 58.027 2.347 1.019 0.634 0.932 0.477 CB 1.747 45 residues pruned to eliminate duplicates Z: 97 64.423 2.266 0.789 0.569 0.948 0.719 CB 1.601 97 residues pruned to eliminate duplicates Z: 48 53.101 2.302 0.954 0.592 0.936 0.660 CB 1.684 48 residues pruned to eliminate duplicates Z: 97 58.293 2.257 0.771 0.585 0.885 0.740 CB 1.549 97 residues pruned to eliminate duplicates Z: 35 17.334 1.910 0.549 0.436 0.794 0.529 CB 1.352 35 residues pruned to eliminate duplicates Z: 13 22.749 2.278 1.116 0.545 0.833 0.667 CA 1.565 13 residues pruned to eliminate duplicates Z: 130 77.132 2.267 0.873 0.610 0.915 0.690 CB 1.576 130 residues pruned to eliminate duplicates Z: 97 68.409 2.268 0.893 0.582 0.938 0.677 CB 1.603 97 residues pruned to eliminate duplicates Z: 48 44.196 2.272 0.871 0.527 0.894 0.660 CB 1.653 48 residues pruned to eliminate duplicates Z: 82 71.051 2.336 0.909 0.572 0.951 0.704 CB 1.737 82 residues pruned to eliminate duplicates Z: 85 63.380 2.250 0.827 0.606 0.929 0.667 CB 1.639 85 residues pruned to eliminate duplicates Z: 45 36.474 2.258 0.804 0.527 0.841 0.682 CB 1.564 45 residues pruned to eliminate duplicates Z: 48 40.376 2.217 0.791 0.531 0.936 0.745 CB 1.537 48 residues pruned to eliminate duplicates Z: 128 78.211 2.291 0.817 0.602 0.913 0.654 CB 1.658 128 residues pruned to eliminate duplicates Z: 130 77.835 2.296 0.806 0.603 0.930 0.659 CB 1.611 130 residues pruned to eliminate duplicates Z: 7 4.683 1.414 0.778 0.241 1.000 0.667 C 1.026 7 residues pruned to eliminate duplicates Z: 101 74.576 2.298 0.991 0.569 0.930 0.700 CB 1.640 101 residues pruned to eliminate duplicates Z: 72 52.128 2.253 0.730 0.594 0.915 0.634 CB 1.584 72 residues pruned to eliminate duplicates Z: 59 43.667 2.164 0.819 0.500 0.948 0.672 CB 1.536 59 residues pruned to eliminate duplicates Z: 68 45.605 2.218 0.767 0.510 0.896 0.627 CB 1.572 68 residues pruned to eliminate duplicates Z: 84 55.479 2.237 0.693 0.578 0.928 0.651 CB 1.607 84 residues pruned to eliminate duplicates Z: 87 56.801 2.191 0.785 0.588 0.953 0.640 CB 1.510 87 residues pruned to eliminate duplicates Z: 37 39.192 2.236 0.800 0.513 0.972 0.667 CB 1.647 37 residues pruned to eliminate duplicates Z: 88 56.296 2.177 0.762 0.595 0.943 0.621 CB 1.524 88 residues pruned to eliminate duplicates Z: 54 40.843 2.193 0.805 0.489 0.887 0.679 CB 1.615 54 residues pruned to eliminate duplicates Z: 100 57.422 2.212 0.794 0.572 0.909 0.657 CB 1.492 100 residues pruned to eliminate duplicates Z: 128 82.732 2.286 0.920 0.604 0.921 0.677 CB 1.646 128 residues pruned to eliminate duplicates Z: 49 47.389 2.255 0.803 0.588 0.979 0.729 CB 1.579 49 residues pruned to eliminate duplicates Z: 87 59.670 2.219 0.847 0.565 0.930 0.640 CB 1.584 87 residues pruned to eliminate duplicates Z: 80 55.827 2.257 0.745 0.586 0.937 0.722 CB 1.568 80 residues pruned to eliminate duplicates Z: 85 67.886 2.242 0.893 0.605 0.964 0.631 CB 1.638 85 residues pruned to eliminate duplicates Z: 41 44.433 2.238 0.924 0.573 0.975 0.725 CB 1.559 41 residues pruned to eliminate duplicates Z: 55 41.495 2.150 0.860 0.506 0.907 0.630 CB 1.547 55 residues pruned to eliminate duplicates Z: 81 62.440 2.267 0.805 0.615 0.950 0.750 CB 1.610 81 residues pruned to eliminate duplicates Z: 55 40.144 2.231 0.800 0.521 0.889 0.685 CB 1.499 55 residues pruned to eliminate duplicates Z: 82 64.257 2.251 0.848 0.598 0.975 0.617 CB 1.603 82 residues pruned to eliminate duplicates Z: 84 58.836 2.234 0.771 0.597 0.940 0.711 CB 1.583 84 residues pruned to eliminate duplicates Z: 103 59.851 2.197 0.794 0.564 0.902 0.627 CB 1.567 103 residues pruned to eliminate duplicates Z: 86 59.546 2.245 0.834 0.587 0.929 0.671 CB 1.553 86 residues pruned to eliminate duplicates Z: 85 59.522 2.235 0.821 0.589 0.952 0.690 CB 1.540 85 residues pruned to eliminate duplicates Z: 87 52.311 2.229 0.775 0.584 0.872 0.674 CB 1.508 87 residues pruned to eliminate duplicates Z: 75 56.333 2.271 0.775 0.599 0.932 0.662 CB 1.585 75 residues pruned to eliminate duplicates Z: 85 53.960 2.245 0.717 0.568 0.893 0.667 CB 1.602 85 residues pruned to eliminate duplicates Z: 97 64.966 2.241 0.902 0.572 0.927 0.646 CB 1.565 97 residues pruned to eliminate duplicates Z: 96 67.446 2.277 0.886 0.576 0.926 0.642 CB 1.617 96 residues pruned to eliminate duplicates Z: 63 46.723 2.249 0.830 0.515 0.919 0.710 CB 1.544 63 residues pruned to eliminate duplicates Z: 84 62.010 2.238 0.803 0.602 0.940 0.602 CB 1.629 84 residues pruned to eliminate duplicates Z: 84 50.791 2.188 0.754 0.534 0.904 0.602 CB 1.555 84 residues pruned to eliminate duplicates Z: 54 37.016 2.216 0.706 0.576 0.887 0.604 CB 1.410 54 residues pruned to eliminate duplicates Z: 81 55.879 2.256 0.788 0.582 0.913 0.688 CB 1.568 81 residues pruned to eliminate duplicates Z: 53 38.259 2.144 0.757 0.592 0.923 0.615 CB 1.397 53 residues pruned to eliminate duplicates Z: 58 44.970 2.248 0.869 0.512 0.930 0.754 CB 1.506 58 residues pruned to eliminate duplicates Z: 46 39.369 2.171 0.908 0.532 0.956 0.667 CB 1.438 46 residues pruned to eliminate duplicates Z: 46 33.930 2.151 0.624 0.597 0.911 0.622 CB 1.448 46 residues pruned to eliminate duplicates Z: 86 56.712 2.227 0.776 0.591 0.929 0.682 CB 1.534 86 residues pruned to eliminate duplicates Z: 50 36.627 2.203 0.712 0.545 0.918 0.592 CB 1.445 50 residues pruned to eliminate duplicates Z: 46 42.667 2.287 0.736 0.617 0.933 0.600 CB 1.537 46 residues pruned to eliminate duplicates Z: 52 39.217 2.205 0.606 0.625 0.941 0.647 CB 1.465 52 residues pruned to eliminate duplicates Z: 129 85.423 2.287 0.891 0.607 0.961 0.711 CB 1.641 129 residues pruned to eliminate duplicates Z: 45 42.158 2.239 0.794 0.626 0.955 0.682 CB 1.472 45 residues pruned to eliminate duplicates Z: 40 42.488 2.212 0.903 0.645 0.897 0.615 CB 1.573 40 residues pruned to eliminate duplicates Z: 129 80.840 2.271 0.888 0.594 0.938 0.641 CB 1.626 129 residues pruned to eliminate duplicates Z: 65 48.840 2.245 0.824 0.512 0.953 0.688 CB 1.545 65 residues pruned to eliminate duplicates Z: 44 29.636 2.149 0.738 0.496 0.837 0.465 CB 1.451 44 residues pruned to eliminate duplicates Z: 82 54.112 2.235 0.772 0.579 0.926 0.642 CB 1.520 82 residues pruned to eliminate duplicates Z: 128 85.530 2.304 0.892 0.608 0.969 0.685 CB 1.623 128 residues pruned to eliminate duplicates Z: 67 41.766 2.160 0.655 0.583 0.909 0.591 CB 1.462 67 residues pruned to eliminate duplicates Z: 75 59.447 2.268 0.834 0.610 0.959 0.689 CB 1.561 75 residues pruned to eliminate duplicates Z: 32 37.503 2.289 0.843 0.601 0.903 0.774 CB 1.606 32 residues pruned to eliminate duplicates Z: 42 39.409 2.267 0.710 0.562 0.951 0.634 CB 1.570 42 residues pruned to eliminate duplicates Z: 41 34.237 2.200 0.741 0.616 0.875 0.650 CB 1.447 41 residues pruned to eliminate duplicates Z: 84 53.828 2.191 0.816 0.551 0.964 0.639 CB 1.465 84 residues pruned to eliminate duplicates Z: 82 61.776 2.258 0.774 0.594 0.988 0.691 CB 1.586 82 residues pruned to eliminate duplicates Z: 88 58.012 2.223 0.780 0.580 0.966 0.678 CB 1.507 88 residues pruned to eliminate duplicates Z: 87 50.859 2.207 0.808 0.551 0.884 0.674 CB 1.480 87 residues pruned to eliminate duplicates Z: 102 59.168 2.215 0.824 0.554 0.911 0.604 CB 1.519 102 residues pruned to eliminate duplicates Z: 52 41.763 2.244 0.678 0.634 0.922 0.686 CB 1.486 52 residues pruned to eliminate duplicates Z: 128 73.179 2.246 0.836 0.578 0.921 0.693 CB 1.585 128 residues pruned to eliminate duplicates Z: 36 33.000 2.147 0.640 0.620 0.886 0.571 CB 1.597 36 residues pruned to eliminate duplicates Z: 88 58.013 2.187 0.820 0.608 0.920 0.632 CB 1.535 88 residues pruned to eliminate duplicates Z: 54 40.505 2.245 0.697 0.588 0.906 0.547 CB 1.482 54 residues pruned to eliminate duplicates Z: 38 41.799 2.243 0.792 0.666 0.919 0.595 CB 1.596 38 residues pruned to eliminate duplicates Z: 75 57.423 2.251 0.827 0.612 0.946 0.689 CB 1.544 75 residues pruned to eliminate duplicates Z: 83 64.412 2.287 0.838 0.601 0.951 0.671 CB 1.616 83 residues pruned to eliminate duplicates Z: 80 56.803 2.259 0.770 0.606 0.949 0.709 CB 1.522 80 residues pruned to eliminate duplicates Z: 39 39.303 2.198 0.665 0.648 0.947 0.711 CB 1.601 39 residues pruned to eliminate duplicates Z: 128 74.175 2.278 0.776 0.595 0.945 0.717 CB 1.572 128 residues pruned to eliminate duplicates Z: 100 61.482 2.221 0.834 0.574 0.939 0.727 CB 1.504 100 residues pruned to eliminate duplicates Z: 49 37.792 2.167 0.771 0.627 0.917 0.625 CB 1.376 49 residues pruned to eliminate duplicates Z: 58 40.637 2.183 0.747 0.592 0.912 0.667 CB 1.416 58 residues pruned to eliminate duplicates Z: 50 33.179 2.134 0.675 0.584 0.878 0.653 CB 1.395 50 residues pruned to eliminate duplicates Z: 62 36.041 2.125 0.647 0.560 0.902 0.639 CB 1.379 62 residues pruned to eliminate duplicates Z: 39 23.807 2.137 0.471 0.454 0.868 0.500 CB 1.483 39 residues pruned to eliminate duplicates Z: 82 39.136 2.101 0.542 0.551 0.926 0.568 CB 1.379 82 residues pruned to eliminate duplicates Z: 33 20.482 2.039 0.434 0.517 0.875 0.562 CB 1.391 33 residues pruned to eliminate duplicates Z: 8 4.827 1.745 0.272 0.467 1.000 0.571 CB 0.850 8 residues pruned to eliminate duplicates Z: 36 25.236 2.158 0.502 0.469 0.914 0.486 CB 1.486 36 residues pruned to eliminate duplicates Z: 11 6.279 1.633 0.338 0.334 1.000 0.500 CB 1.090 11 residues pruned to eliminate duplicates Z: 8 6.899 1.770 0.417 0.530 1.000 0.571 CB 1.009 8 residues pruned to eliminate duplicates Z: 31 17.672 2.013 0.549 0.468 0.867 0.500 CB 1.233 31 residues pruned to eliminate duplicates Z: 46 24.922 1.983 0.527 0.480 0.956 0.467 CB 1.311 46 residues pruned to eliminate duplicates Z: 31 21.503 2.105 0.482 0.493 0.900 0.500 CB 1.408 31 residues pruned to eliminate duplicates Z: 31 22.726 2.091 0.448 0.568 0.900 0.600 CB 1.426 31 residues pruned to eliminate duplicates Z: 33 23.055 2.015 0.582 0.499 0.938 0.625 CB 1.365 33 residues pruned to eliminate duplicates Z: 95 42.084 2.069 0.646 0.507 0.936 0.596 CB 1.352 95 residues pruned to eliminate duplicates Z: 35 31.145 2.249 0.527 0.531 0.971 0.559 CB 1.554 35 residues pruned to eliminate duplicates Z: 29 23.222 2.147 0.456 0.530 0.929 0.536 CB 1.467 29 residues pruned to eliminate duplicates Z: 18 16.047 2.110 0.376 0.530 0.941 0.529 CB 1.382 18 residues pruned to eliminate duplicates Z: 31 21.766 2.084 0.448 0.511 0.900 0.533 CB 1.447 31 residues pruned to eliminate duplicates Z: 32 21.766 2.084 0.473 0.492 0.903 0.613 CB 1.421 32 residues pruned to eliminate duplicates Z: 41 27.488 2.111 0.520 0.494 0.950 0.525 CB 1.435 41 residues pruned to eliminate duplicates Z: 33 19.368 2.033 0.372 0.510 0.875 0.531 CB 1.389 33 residues pruned to eliminate duplicates Z: 38 30.727 2.186 0.590 0.532 0.946 0.514 CB 1.488 37 residues pruned to eliminate duplicates Z: 7 5.162 1.637 0.447 0.354 0.833 0.667 N 1.250 7 residues pruned to eliminate duplicates Z: 17 29.854 2.390 0.777 0.525 1.000 0.750 CB 1.714 18 residues pruned to eliminate duplicates Z: 6 8.520 1.947 0.900 0.313 0.800 0.400 CA 1.583 6 residues pruned to eliminate duplicates Z: 42 29.449 2.129 0.613 0.490 0.927 0.537 CB 1.459 42 residues pruned to eliminate duplicates Z: 15 19.340 2.161 0.805 0.420 0.929 0.571 CB 1.552 15 residues pruned to eliminate duplicates Z: 19 25.684 2.259 0.711 0.500 0.944 0.778 CB 1.659 19 residues pruned to eliminate duplicates Z: 38 33.337 2.197 0.571 0.521 1.000 0.703 CB 1.555 38 residues pruned to eliminate duplicates Z: 6 7.215 1.820 1.039 0.359 0.800 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 40 28.037 2.097 0.517 0.483 0.949 0.667 CB 1.513 40 residues pruned to eliminate duplicates Z: 19 22.272 2.197 0.843 0.447 0.889 0.611 CB 1.540 19 residues pruned to eliminate duplicates Z: 13 26.050 2.291 1.062 0.500 0.917 0.750 CB 1.736 13 residues pruned to eliminate duplicates Z: 46 54.773 2.274 0.965 0.637 0.933 0.711 CB 1.722 45 residues pruned to eliminate duplicates Z: 19 27.120 2.194 0.676 0.720 0.889 0.611 CB 1.604 19 residues pruned to eliminate duplicates Z: 33 53.874 2.294 0.989 0.681 1.000 0.656 CB 1.767 33 residues pruned to eliminate duplicates Z: 126 80.865 2.262 0.900 0.597 0.952 0.736 CB 1.611 126 residues pruned to eliminate duplicates Z: 45 56.177 2.312 0.978 0.634 0.955 0.705 CB 1.711 45 residues pruned to eliminate duplicates Z: 82 62.934 2.255 0.907 0.552 0.926 0.679 CB 1.669 82 residues pruned to eliminate duplicates Z: 46 56.362 2.285 1.015 0.622 0.933 0.711 CB 1.742 46 residues pruned to eliminate duplicates Z: 102 70.918 2.239 0.994 0.556 0.921 0.713 CB 1.625 103 residues pruned to eliminate duplicates Z: 18 39.272 2.243 0.906 0.827 1.000 0.882 CA 1.679 18 residues pruned to eliminate duplicates Z: 49 49.962 2.261 0.865 0.587 0.938 0.667 CB 1.679 49 residues pruned to eliminate duplicates Z: 166 80.922 2.197 0.841 0.578 0.927 0.685 CB 1.558 165 residues pruned to eliminate duplicates Z: 15 40.610 2.397 0.905 0.835 1.000 0.857 CB 1.780 15 residues pruned to eliminate duplicates Z: 46 53.356 2.316 0.973 0.608 0.911 0.667 CB 1.724 46 residues pruned to eliminate duplicates Z: 132 79.222 2.236 0.876 0.609 0.939 0.748 CB 1.585 132 residues pruned to eliminate duplicates Z: 134 79.851 2.233 0.876 0.588 0.932 0.684 CB 1.628 134 residues pruned to eliminate duplicates Z: 53 43.560 2.234 0.768 0.558 0.865 0.615 CB 1.670 53 residues pruned to eliminate duplicates Z: 81 67.413 2.290 0.872 0.565 0.963 0.713 CB 1.716 81 residues pruned to eliminate duplicates Z: 46 51.860 2.312 0.933 0.577 0.911 0.711 CB 1.764 46 residues pruned to eliminate duplicates Z: 52 47.783 2.256 0.861 0.567 0.902 0.647 CB 1.656 52 residues pruned to eliminate duplicates Z: 53 51.410 2.237 0.872 0.599 0.923 0.673 CB 1.677 53 residues pruned to eliminate duplicates Z: 132 74.063 2.244 0.836 0.581 0.908 0.634 CB 1.599 132 residues pruned to eliminate duplicates Z: 134 73.126 2.226 0.809 0.565 0.917 0.692 CB 1.612 134 residues pruned to eliminate duplicates Z: 99 63.116 2.222 0.915 0.532 0.908 0.663 CB 1.599 99 residues pruned to eliminate duplicates Z: 46 53.266 2.316 0.906 0.610 0.933 0.689 CB 1.737 46 residues pruned to eliminate duplicates Z: 32 51.069 2.313 1.006 0.695 0.968 0.613 CB 1.709 32 residues pruned to eliminate duplicates Z: 20 22.154 2.027 0.755 0.499 0.842 0.632 CA 1.699 20 residues pruned to eliminate duplicates Z: 81 66.162 2.257 0.917 0.564 0.950 0.713 CB 1.691 81 residues pruned to eliminate duplicates Z: 56 52.136 2.113 1.039 0.579 0.927 0.618 CB 1.630 56 residues pruned to eliminate duplicates Z: 81 70.984 2.291 0.994 0.577 0.950 0.725 CB 1.699 81 residues pruned to eliminate duplicates Z: 50 51.996 2.270 0.947 0.594 0.918 0.694 CB 1.673 50 residues pruned to eliminate duplicates Z: 81 66.009 2.283 0.941 0.569 0.938 0.700 CB 1.661 81 residues pruned to eliminate duplicates Z: 82 69.164 2.290 1.010 0.560 0.926 0.679 CB 1.701 82 residues pruned to eliminate duplicates Z: 135 82.497 2.232 0.953 0.588 0.940 0.701 CB 1.598 135 residues pruned to eliminate duplicates Z: 49 54.017 2.306 0.827 0.619 0.958 0.708 CB 1.725 49 residues pruned to eliminate duplicates Z: 53 51.940 2.227 0.871 0.609 0.923 0.673 CB 1.687 53 residues pruned to eliminate duplicates Z: 50 51.109 2.292 0.979 0.589 0.898 0.694 CB 1.646 50 residues pruned to eliminate duplicates Z: 49 55.108 2.295 0.899 0.613 0.938 0.729 CB 1.749 49 residues pruned to eliminate duplicates Z: 83 70.811 2.259 0.982 0.584 0.951 0.756 CB 1.694 83 residues pruned to eliminate duplicates Z: 55 41.644 2.160 0.888 0.511 0.889 0.667 CB 1.547 55 residues pruned to eliminate duplicates Z: 46 55.447 2.273 1.008 0.657 0.911 0.733 CB 1.717 46 residues pruned to eliminate duplicates Z: 48 57.210 2.264 1.006 0.634 0.957 0.766 CB 1.692 48 residues pruned to eliminate duplicates Z: 46 53.245 2.302 0.909 0.644 0.911 0.778 CB 1.733 46 residues pruned to eliminate duplicates Z: 45 63.266 2.311 1.082 0.675 0.977 0.773 CB 1.725 45 residues pruned to eliminate duplicates Z: 60 58.295 2.273 1.129 0.539 0.898 0.695 CB 1.680 60 residues pruned to eliminate duplicates Z: 82 73.797 2.271 1.070 0.585 0.963 0.691 CB 1.670 82 residues pruned to eliminate duplicates Z: 101 65.337 2.234 0.915 0.558 0.900 0.720 CB 1.603 101 residues pruned to eliminate duplicates Z: 57 47.051 2.197 0.902 0.523 0.946 0.732 CB 1.554 57 residues pruned to eliminate duplicates Z: 81 68.325 2.278 0.991 0.588 0.938 0.725 CB 1.651 81 residues pruned to eliminate duplicates Z: 29 28.965 2.174 0.816 0.498 0.929 0.750 CB 1.496 29 residues pruned to eliminate duplicates Z: 74 49.841 2.232 0.853 0.536 0.890 0.685 CB 1.529 74 residues pruned to eliminate duplicates Z: 37 42.199 2.175 1.080 0.497 0.944 0.722 CB 1.651 37 residues pruned to eliminate duplicates Z: 33 42.028 2.240 0.927 0.520 1.000 0.719 CB 1.688 33 residues pruned to eliminate duplicates Z: 40 37.605 2.159 0.821 0.515 0.949 0.718 CB 1.590 40 residues pruned to eliminate duplicates Z: 83 52.694 2.182 0.780 0.554 0.915 0.622 CB 1.555 83 residues pruned to eliminate duplicates Z: 39 41.073 2.187 0.934 0.489 0.974 0.632 CB 1.636 39 residues pruned to eliminate duplicates Z: 72 52.636 2.177 1.039 0.533 0.859 0.634 CB 1.586 72 residues pruned to eliminate duplicates Z: 32 34.850 2.210 1.036 0.484 0.935 0.677 CB 1.511 32 residues pruned to eliminate duplicates Z: 37 40.122 2.226 1.011 0.504 0.917 0.639 CB 1.623 37 residues pruned to eliminate duplicates Z: 82 71.711 2.278 1.004 0.589 0.951 0.691 CB 1.687 82 residues pruned to eliminate duplicates Z: 33 42.873 2.227 1.112 0.518 0.969 0.625 CB 1.635 33 residues pruned to eliminate duplicates Z: 32 42.362 2.242 0.975 0.539 1.000 0.742 CB 1.655 32 residues pruned to eliminate duplicates Z: 58 45.731 2.172 0.948 0.508 0.947 0.632 CB 1.499 58 residues pruned to eliminate duplicates Z: 84 56.584 2.185 0.882 0.562 0.928 0.639 CB 1.533 84 residues pruned to eliminate duplicates Z: 91 60.668 2.167 0.870 0.574 0.933 0.611 CB 1.574 91 residues pruned to eliminate duplicates Z: 86 53.905 2.161 0.787 0.571 0.941 0.612 CB 1.502 86 residues pruned to eliminate duplicates Z: 33 41.870 2.222 1.102 0.514 0.969 0.688 CB 1.613 33 residues pruned to eliminate duplicates Z: 84 58.394 2.194 0.849 0.579 0.928 0.663 CB 1.578 84 residues pruned to eliminate duplicates Z: 51 42.641 2.202 0.853 0.540 0.920 0.700 CB 1.544 51 residues pruned to eliminate duplicates Z: 132 74.434 2.206 0.890 0.588 0.908 0.672 CB 1.578 132 residues pruned to eliminate duplicates Z: 82 66.383 2.260 0.963 0.572 0.938 0.679 CB 1.653 82 residues pruned to eliminate duplicates Z: 35 39.291 2.189 1.042 0.490 0.941 0.706 CB 1.618 35 residues pruned to eliminate duplicates Z: 34 38.079 2.216 0.934 0.537 0.939 0.758 CB 1.588 34 residues pruned to eliminate duplicates Z: 38 43.754 2.195 1.030 0.531 0.946 0.757 CB 1.655 38 residues pruned to eliminate duplicates Z: 63 50.256 2.228 0.996 0.567 0.887 0.742 CB 1.517 63 residues pruned to eliminate duplicates Z: 32 49.653 2.270 1.210 0.569 0.968 0.806 CB 1.718 32 residues pruned to eliminate duplicates Z: 90 62.669 2.189 0.867 0.594 0.944 0.697 CB 1.575 90 residues pruned to eliminate duplicates Z: 39 38.932 2.187 0.946 0.559 0.895 0.684 CB 1.566 39 residues pruned to eliminate duplicates Z: 84 60.341 2.203 0.850 0.593 0.952 0.651 CB 1.562 84 residues pruned to eliminate duplicates Z: 78 55.210 2.224 0.766 0.600 0.922 0.714 CB 1.580 78 residues pruned to eliminate duplicates Z: 134 79.850 2.228 0.890 0.591 0.940 0.654 CB 1.605 134 residues pruned to eliminate duplicates Z: 88 55.558 2.192 0.896 0.567 0.874 0.678 CB 1.537 88 residues pruned to eliminate duplicates Z: 90 68.119 2.269 0.946 0.578 0.933 0.652 CB 1.627 90 residues pruned to eliminate duplicates Z: 90 56.746 2.186 0.843 0.566 0.933 0.730 CB 1.502 90 residues pruned to eliminate duplicates Z: 69 46.981 2.190 0.852 0.499 0.912 0.691 CB 1.542 69 residues pruned to eliminate duplicates Z: 47 39.987 2.218 0.809 0.529 0.870 0.652 CB 1.641 47 residues pruned to eliminate duplicates Z: 55 43.121 2.139 0.726 0.618 0.926 0.667 CB 1.536 55 residues pruned to eliminate duplicates Z: 84 61.858 2.204 0.920 0.593 0.940 0.735 CB 1.562 84 residues pruned to eliminate duplicates Z: 91 60.036 2.176 0.916 0.577 0.922 0.678 CB 1.529 91 residues pruned to eliminate duplicates Z: 6 6.220 1.819 0.695 0.271 0.800 0.800 CA 1.462 6 residues pruned to eliminate duplicates Z: 47 29.196 2.065 0.748 0.521 0.870 0.522 CB 1.343 47 residues pruned to eliminate duplicates Z: 68 59.656 2.250 1.050 0.572 0.955 0.806 CB 1.544 68 residues pruned to eliminate duplicates Z: 84 56.249 2.181 0.918 0.583 0.916 0.687 CB 1.489 84 residues pruned to eliminate duplicates Z: 43 38.514 2.197 0.749 0.614 0.952 0.690 CB 1.458 43 residues pruned to eliminate duplicates Z: 90 56.400 2.134 0.842 0.554 0.966 0.652 CB 1.493 90 residues pruned to eliminate duplicates Z: 55 41.519 2.137 0.760 0.595 0.907 0.685 CB 1.512 55 residues pruned to eliminate duplicates Z: 86 54.700 2.198 0.882 0.558 0.906 0.671 CB 1.496 86 residues pruned to eliminate duplicates Z: 57 39.964 2.136 0.774 0.578 0.875 0.589 CB 1.495 57 residues pruned to eliminate duplicates Z: 83 55.885 2.198 0.916 0.583 0.890 0.707 CB 1.520 83 residues pruned to eliminate duplicates Z: 88 62.085 2.208 0.913 0.600 0.931 0.678 CB 1.539 88 residues pruned to eliminate duplicates Z: 47 47.059 2.242 0.837 0.658 0.935 0.739 CB 1.557 47 residues pruned to eliminate duplicates Z: 88 55.125 2.199 0.861 0.560 0.897 0.644 CB 1.519 88 residues pruned to eliminate duplicates Z: 88 59.651 2.194 0.963 0.572 0.931 0.701 CB 1.488 88 residues pruned to eliminate duplicates Z: 88 57.971 2.204 0.850 0.566 0.908 0.690 CB 1.575 90 residues pruned to eliminate duplicates Z: 15 36.575 2.333 0.797 0.886 1.000 0.857 CB 1.683 15 residues pruned to eliminate duplicates Z: 28 38.994 2.225 0.861 0.735 0.926 0.630 CB 1.584 28 residues pruned to eliminate duplicates Z: 47 35.069 2.156 0.766 0.578 0.870 0.696 CB 1.448 47 residues pruned to eliminate duplicates Z: 55 35.369 2.125 0.660 0.563 0.907 0.574 CB 1.414 55 residues pruned to eliminate duplicates Z: 85 54.786 2.150 0.834 0.578 0.940 0.655 CB 1.495 85 residues pruned to eliminate duplicates Z: 48 33.208 2.124 0.785 0.581 0.830 0.574 CB 1.424 48 residues pruned to eliminate duplicates Z: 90 52.548 2.173 0.796 0.550 0.888 0.629 CB 1.531 90 residues pruned to eliminate duplicates Z: 85 57.217 2.186 0.908 0.581 0.905 0.714 CB 1.531 85 residues pruned to eliminate duplicates Z: 84 59.294 2.210 0.901 0.577 0.928 0.675 CB 1.550 84 residues pruned to eliminate duplicates Z: 84 59.782 2.198 0.931 0.589 0.916 0.663 CB 1.550 84 residues pruned to eliminate duplicates Z: 90 54.114 2.160 0.840 0.552 0.921 0.640 CB 1.489 90 residues pruned to eliminate duplicates Z: 87 56.653 2.164 0.915 0.569 0.919 0.663 CB 1.502 87 residues pruned to eliminate duplicates Z: 25 42.919 2.290 0.817 0.821 0.958 0.708 CB 1.662 25 residues pruned to eliminate duplicates Z: 54 44.245 2.179 0.852 0.592 0.925 0.642 CB 1.491 54 residues pruned to eliminate duplicates Z: 47 36.979 2.159 0.763 0.608 0.870 0.587 CB 1.487 47 residues pruned to eliminate duplicates Z: 57 41.211 2.146 0.820 0.598 0.893 0.696 CB 1.438 57 residues pruned to eliminate duplicates Z: 45 33.360 2.093 0.641 0.600 0.909 0.568 CB 1.464 45 residues pruned to eliminate duplicates Z: 44 35.064 2.131 0.651 0.625 0.930 0.698 CB 1.453 44 residues pruned to eliminate duplicates Z: 33 35.961 2.159 0.671 0.696 0.938 0.625 CB 1.571 33 residues pruned to eliminate duplicates Z: 131 79.649 2.247 0.937 0.601 0.923 0.754 CB 1.579 131 residues pruned to eliminate duplicates 377 residues left after pruning, divided into chains as follows: A: 22 B: 20 C: 168 D: 167 CC for partial structure against native data = 43.43 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.459, Connect. = 0.695 for dens.mod. cycle 1 = 0.317, Contrast = 0.536, Connect. = 0.729 for dens.mod. cycle 2 = 0.318, Contrast = 0.670, Connect. = 0.775 for dens.mod. cycle 3 = 0.318, Contrast = 0.677, Connect. = 0.778 for dens.mod. cycle 4 = 0.318, Contrast = 0.694, Connect. = 0.780 for dens.mod. cycle 5 = 0.318, Contrast = 0.697, Connect. = 0.782 for dens.mod. cycle 6 = 0.318, Contrast = 0.704, Connect. = 0.783 for dens.mod. cycle 7 = 0.318, Contrast = 0.705, Connect. = 0.784 for dens.mod. cycle 8 = 0.318, Contrast = 0.709, Connect. = 0.784 for dens.mod. cycle 9 = 0.318, Contrast = 0.709, Connect. = 0.785 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.65 - 2.89 - 2.53 - 2.30 - 2.14 - 2.02 - 1.92 - 1.83 - 1.76 - 1.70 0.794 0.779 0.779 0.786 0.810 0.787 0.761 0.739 0.731 0.701 0.943 0.937 0.932 0.936 0.953 0.931 0.907 0.889 0.876 0.850 N 4960 5050 4958 5017 4899 4802 4992 5503 5101 4182 Estimated mean FOM = 0.767 Pseudo-free CC = 75.10 % Best trace (cycle 2 with CC 43.91%) was saved as ./2i51-1.7-parrot-noncs/2i51-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 6.2 - FFTs and peak-searches 12.9 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1658.0 - Tripeptide search 16664.7 - Chain tracing 0.0 - NCS analysis 32.3 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 02:58:48 Total time: 18375.21 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 307.71 Used memory is bytes: 20762152