++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:13:52 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: ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.ins Phases from ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.phi Native data from ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.hkl Listing output to ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.lst Phases output to ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.phs Poly-Ala trace output to ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: I 4 2 2 Allowed origin shift code: 10 56831 Reflections read from file ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.phi 56831 Reflections read from file ./2p7i-1.7-parrot-hancs/2p7i-1.7-parrot-hancs.hkl 56831 Unique data, highest resolution = 1.740 Angstroms Anisotropic scaling: intensities multiplied by 0.000038h^2 +0.000038k^2 -0.000037l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.940 and 0 in range 1.940 > d > 1.740 added Density sharpening factor set to 1.14 Fourier grid = 256 x 256 x 66 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|> = 0.656 = 0.300, Contrast = 0.570, Connect. = 0.778 for dens.mod. cycle 1 = 0.300, Contrast = 0.652, Connect. = 0.785 for dens.mod. cycle 2 = 0.300, Contrast = 0.765, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.788, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.800, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.806, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.810, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.812, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.814, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.814, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1828 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 491 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 29.789 2.203 0.891 0.827 0.867 0.533 CB 1.605 B: 11 37.341 2.474 0.741 0.867 1.000 0.900 CB 2.006 11 residues pruned to eliminate duplicates C: 15 33.837 2.137 1.052 0.828 0.929 0.786 CA 1.672 14 residues pruned to eliminate duplicates D: 11 36.196 2.412 0.851 0.923 1.000 1.000 CA 1.802 11 residues pruned to eliminate duplicates E: 9 23.641 2.189 0.563 0.879 1.000 0.875 CA 1.771 F: 13 41.547 2.375 1.021 0.878 1.000 0.833 CB 1.813 G: 12 40.200 2.320 1.166 0.908 1.000 0.909 CB 1.712 H: 16 33.559 2.276 0.818 0.859 1.000 0.600 CB 1.541 I: 11 27.907 2.203 0.778 0.854 0.900 0.800 CB 1.848 J: 13 26.760 2.153 1.008 0.841 0.917 0.667 CB 1.454 13 residues pruned to eliminate duplicates K: 11 24.312 2.067 0.725 0.837 1.000 0.700 CA 1.613 11 residues pruned to eliminate duplicates L: 66 69.636 2.480 1.147 0.532 0.908 0.615 CB 1.731 26 residues pruned to eliminate duplicates M: 14 38.427 2.251 1.147 0.911 0.923 0.615 CB 1.694 14 residues pruned to eliminate duplicates N: 14 30.639 2.171 0.720 0.916 1.000 0.923 CB 1.608 14 residues pruned to eliminate duplicates O: 15 31.479 2.360 0.946 0.867 0.929 0.643 CB 1.443 P: 12 47.433 2.430 1.101 0.857 1.000 0.818 CA 2.065 12 residues pruned to eliminate duplicates Q: 15 17.547 1.963 0.460 0.860 0.929 0.786 CA 1.296 15 residues pruned to eliminate duplicates R: 12 42.151 2.330 1.101 0.906 1.000 0.909 CB 1.846 S: 14 38.082 2.239 1.151 0.848 0.923 0.769 CA 1.762 14 residues pruned to eliminate duplicates T: 12 29.419 2.165 1.034 0.775 0.909 0.727 CA 1.738 12 residues pruned to eliminate duplicates U: 12 39.241 2.370 0.947 0.854 1.000 0.818 CA 1.893 12 residues pruned to eliminate duplicates V: 30 43.188 2.259 1.345 0.634 0.966 0.690 CB 1.383 15 residues pruned to eliminate duplicates W: 17 24.137 2.108 0.514 0.776 1.000 0.500 CB 1.482 17 residues pruned to eliminate duplicates X: 30 46.463 2.311 1.290 0.628 0.966 0.586 CB 1.497 30 residues pruned to eliminate duplicates Y: 11 37.798 2.360 0.970 0.928 1.000 0.900 CB 1.801 11 residues pruned to eliminate duplicates Z: 15 35.486 2.131 0.871 0.916 1.000 1.000 CB 1.680 15 residues pruned to eliminate duplicates Z: 7 17.556 2.152 1.160 0.537 0.833 0.500 CA 1.785 Z: 11 22.573 2.368 1.301 0.333 1.000 0.600 CB 1.573 Z: 7 6.783 1.697 0.717 0.734 0.667 0.500 CA 1.155 Z: 61 40.593 2.025 0.796 0.628 0.900 0.633 CB 1.420 16 residues pruned to eliminate duplicates Z: 14 40.570 2.167 1.148 0.920 1.000 0.769 CB 1.703 14 residues pruned to eliminate duplicates Z: 19 25.897 2.125 0.603 0.778 1.000 0.667 CB 1.402 19 residues pruned to eliminate duplicates Z: 16 24.389 2.149 0.702 0.789 0.867 0.467 CB 1.541 16 residues pruned to eliminate duplicates Z: 12 43.482 2.412 1.022 0.918 1.000 0.909 CA 1.896 12 residues pruned to eliminate duplicates Z: 16 23.900 2.195 0.636 0.851 0.933 0.733 CB 1.362 16 residues pruned to eliminate duplicates Z: 14 34.224 2.239 1.180 0.859 0.846 0.615 CB 1.691 14 residues pruned to eliminate duplicates Z: 30 33.152 2.312 0.911 0.540 0.897 0.690 CB 1.493 30 residues pruned to eliminate duplicates Z: 17 24.778 2.024 0.897 0.774 0.875 0.562 CB 1.448 17 residues pruned to eliminate duplicates Z: 17 26.613 2.095 0.679 0.865 1.000 0.688 CB 1.385 17 residues pruned to eliminate duplicates Z: 113 68.777 2.324 1.007 0.484 0.902 0.545 CB 1.570 97 residues pruned to eliminate duplicates Z: 13 33.276 2.372 1.238 0.519 1.000 0.667 CB 1.777 7 residues pruned to eliminate duplicates Z: 22 20.786 1.937 0.952 0.457 0.905 0.524 CB 1.386 22 residues pruned to eliminate duplicates Z: 15 41.589 2.100 1.448 0.905 0.929 0.786 CA 1.658 14 residues pruned to eliminate duplicates Z: 30 44.907 2.381 1.144 0.592 0.897 0.724 CB 1.668 30 residues pruned to eliminate duplicates Z: 19 27.779 2.082 0.624 0.820 0.889 0.556 CB 1.651 Z: 20 33.108 2.331 0.924 0.789 1.000 0.684 CB 1.314 21 residues pruned to eliminate duplicates Z: 19 30.851 2.042 0.742 0.848 0.944 0.556 CB 1.606 19 residues pruned to eliminate duplicates Z: 19 32.823 2.141 0.787 0.831 0.944 0.556 CB 1.608 19 residues pruned to eliminate duplicates Z: 19 18.723 2.032 0.247 0.757 0.944 0.833 CB 1.467 19 residues pruned to eliminate duplicates Z: 20 21.202 2.015 0.371 0.788 1.000 0.684 CB 1.366 20 residues pruned to eliminate duplicates Z: 29 52.954 2.391 1.375 0.660 0.964 0.607 CB 1.575 30 residues pruned to eliminate duplicates Z: 15 39.193 2.152 1.146 0.902 0.929 0.786 CB 1.742 15 residues pruned to eliminate duplicates Z: 17 29.988 2.141 0.478 0.889 1.000 0.812 CB 1.706 17 residues pruned to eliminate duplicates Z: 29 51.497 2.375 1.290 0.685 0.964 0.750 CB 1.566 29 residues pruned to eliminate duplicates Z: 15 27.928 2.223 0.757 0.873 0.857 0.429 CB 1.623 15 residues pruned to eliminate duplicates Z: 8 4.609 1.599 0.529 0.700 0.714 0.714 CA 0.832 Z: 14 26.816 2.163 0.818 0.827 0.923 0.769 CA 1.544 14 residues pruned to eliminate duplicates Z: 17 25.953 2.129 0.397 0.801 1.000 0.562 CB 1.676 17 residues pruned to eliminate duplicates Z: 14 30.248 2.198 1.155 0.880 0.923 0.769 CB 1.390 14 residues pruned to eliminate duplicates Z: 15 33.514 2.141 1.199 0.843 0.929 0.714 CB 1.526 15 residues pruned to eliminate duplicates Z: 14 23.711 2.067 0.569 0.923 0.923 0.923 CA 1.544 14 residues pruned to eliminate duplicates Z: 16 35.541 2.216 1.026 0.916 1.000 0.867 CB 1.444 16 residues pruned to eliminate duplicates Z: 12 21.631 1.945 0.707 0.838 0.909 0.818 CA 1.615 12 residues pruned to eliminate duplicates Z: 38 35.910 2.178 1.029 0.535 0.973 0.568 CB 1.327 13 residues pruned to eliminate duplicates Z: 8 13.876 1.797 1.253 0.558 0.857 0.571 C 1.429 8 residues pruned to eliminate duplicates Z: 9 14.721 1.956 0.967 0.507 1.000 0.375 CA 1.344 9 residues pruned to eliminate duplicates Z: 90 53.112 2.166 1.007 0.451 0.910 0.584 CB 1.496 31 residues pruned to eliminate duplicates Z: 16 30.025 2.095 0.801 0.831 0.933 0.733 CB 1.654 16 residues pruned to eliminate duplicates Z: 15 29.222 2.084 1.062 0.792 0.929 0.929 CB 1.515 15 residues pruned to eliminate duplicates Z: 17 24.088 2.192 1.005 0.822 0.875 0.562 CB 1.185 17 residues pruned to eliminate duplicates Z: 49 29.990 2.100 0.791 0.526 0.917 0.625 CB 1.224 37 residues pruned to eliminate duplicates Z: 6 9.597 1.838 0.864 0.816 0.800 0.400 CB 1.190 6 residues pruned to eliminate duplicates Z: 19 24.046 2.078 0.442 0.784 0.944 0.778 CB 1.560 19 residues pruned to eliminate duplicates Z: 13 33.441 2.170 1.059 0.906 0.917 0.583 CA 1.676 13 residues pruned to eliminate duplicates Z: 46 54.186 2.430 1.061 0.508 0.933 0.667 CB 1.715 46 residues pruned to eliminate duplicates Z: 86 73.069 2.363 1.109 0.514 0.929 0.659 CB 1.687 86 residues pruned to eliminate duplicates Z: 15 27.745 2.129 0.759 0.902 1.000 0.929 CB 1.412 15 residues pruned to eliminate duplicates Z: 8 6.881 1.774 0.857 0.602 0.714 0.714 CB 1.003 Z: 14 34.140 2.136 1.070 0.906 0.923 0.846 CB 1.649 14 residues pruned to eliminate duplicates Z: 19 24.319 2.216 0.757 0.828 0.889 0.667 CB 1.247 19 residues pruned to eliminate duplicates Z: 13 32.941 2.351 0.745 0.907 1.000 0.750 CB 1.648 13 residues pruned to eliminate duplicates Z: 42 38.021 2.068 0.985 0.499 0.976 0.659 CB 1.484 41 residues pruned to eliminate duplicates Z: 19 27.302 2.085 0.602 0.820 0.889 0.667 CA 1.642 19 residues pruned to eliminate duplicates Z: 44 39.522 2.204 0.961 0.452 0.953 0.465 CB 1.537 44 residues pruned to eliminate duplicates Z: 96 54.720 2.208 0.948 0.496 0.905 0.589 CB 1.448 84 residues pruned to eliminate duplicates Z: 31 31.756 2.297 0.852 0.563 0.833 0.500 CB 1.539 31 residues pruned to eliminate duplicates Z: 43 53.260 2.424 1.166 0.460 0.905 0.714 CB 1.803 43 residues pruned to eliminate duplicates Z: 19 32.015 2.357 0.940 0.801 0.889 0.389 CB 1.427 19 residues pruned to eliminate duplicates Z: 42 27.839 1.960 0.726 0.539 0.927 0.610 CB 1.335 42 residues pruned to eliminate duplicates Z: 6 11.005 2.048 0.545 0.670 0.800 0.400 CB 1.663 6 residues pruned to eliminate duplicates Z: 27 37.346 2.323 0.975 0.604 0.923 0.654 CB 1.567 27 residues pruned to eliminate duplicates Z: 16 24.738 2.059 1.014 0.859 0.867 0.733 CB 1.308 16 residues pruned to eliminate duplicates Z: 16 23.187 1.880 0.876 0.874 0.867 0.733 CA 1.425 16 residues pruned to eliminate duplicates Z: 29 36.985 2.288 1.048 0.597 0.893 0.607 CB 1.524 30 residues pruned to eliminate duplicates Z: 8 15.601 2.173 0.618 0.823 0.714 0.714 CB 1.774 8 residues pruned to eliminate duplicates Z: 14 30.206 2.046 0.973 0.899 1.000 0.769 CA 1.484 14 residues pruned to eliminate duplicates Z: 16 23.881 2.171 0.487 0.808 0.933 0.800 CB 1.564 16 residues pruned to eliminate duplicates Z: 19 33.159 2.299 1.038 0.774 0.944 0.611 CB 1.387 19 residues pruned to eliminate duplicates Z: 16 26.587 2.122 0.549 0.848 0.933 0.800 CB 1.660 16 residues pruned to eliminate duplicates Z: 74 69.300 2.442 1.210 0.460 0.918 0.534 CB 1.706 91 residues pruned to eliminate duplicates Z: 55 67.251 2.449 1.161 0.571 0.907 0.685 CB 1.779 54 residues pruned to eliminate duplicates Z: 77 46.610 2.163 0.895 0.552 0.921 0.632 CB 1.346 77 residues pruned to eliminate duplicates Z: 35 47.884 2.393 1.100 0.453 0.882 0.500 CB 1.944 35 residues pruned to eliminate duplicates Z: 40 29.939 1.994 0.767 0.590 0.897 0.718 CB 1.391 40 residues pruned to eliminate duplicates Z: 26 41.534 2.344 1.306 0.606 0.920 0.440 CB 1.510 26 residues pruned to eliminate duplicates Z: 6 2.250 1.536 -0.112 0.733 0.600 0.400 N 0.997 Z: 38 37.174 2.194 1.091 0.590 0.973 0.622 CB 1.256 39 residues pruned to eliminate duplicates Z: 18 21.596 2.196 1.033 0.329 0.882 0.529 CB 1.604 18 residues pruned to eliminate duplicates Z: 11 12.812 1.943 0.532 0.733 0.800 0.600 CB 1.380 11 residues pruned to eliminate duplicates Z: 17 28.933 1.957 0.861 0.868 1.000 0.688 CB 1.451 17 residues pruned to eliminate duplicates Z: 113 86.002 2.385 1.084 0.544 0.955 0.643 CB 1.640 96 residues pruned to eliminate duplicates Z: 15 32.737 2.049 1.010 0.904 1.000 0.786 CB 1.512 15 residues pruned to eliminate duplicates Z: 8 8.616 1.697 0.626 0.602 0.857 0.429 CA 1.249 8 residues pruned to eliminate duplicates Z: 8 10.842 1.926 1.159 0.346 0.714 0.714 CA 1.631 8 residues pruned to eliminate duplicates Z: 19 21.500 1.957 0.511 0.746 0.889 0.611 CA 1.547 19 residues pruned to eliminate duplicates Z: 14 28.985 2.149 0.635 0.850 1.000 0.769 CB 1.695 14 residues pruned to eliminate duplicates Z: 37 18.094 1.775 0.688 0.479 0.833 0.611 CB 1.234 8 residues pruned to eliminate duplicates Z: 51 47.656 2.452 0.920 0.465 0.900 0.560 CB 1.649 51 residues pruned to eliminate duplicates Z: 22 26.224 2.115 0.515 0.739 0.952 0.619 CB 1.513 22 residues pruned to eliminate duplicates Z: 68 48.384 2.261 0.968 0.515 0.881 0.448 CB 1.487 68 residues pruned to eliminate duplicates Z: 12 36.037 2.224 1.165 0.918 1.000 0.818 CA 1.591 12 residues pruned to eliminate duplicates Z: 7 11.881 1.877 0.609 0.784 1.000 0.500 CA 1.251 7 residues pruned to eliminate duplicates Z: 31 29.898 2.330 0.909 0.492 0.833 0.667 CB 1.485 31 residues pruned to eliminate duplicates Z: 16 22.648 2.036 0.695 0.770 0.867 0.667 CA 1.539 16 residues pruned to eliminate duplicates Z: 99 47.039 2.060 0.910 0.446 0.918 0.592 CB 1.390 136 residues pruned to eliminate duplicates Z: 7 28.594 2.218 1.181 0.853 1.000 0.500 CB 1.784 7 residues pruned to eliminate duplicates Z: 16 21.684 2.037 0.659 0.931 1.000 0.933 CB 1.158 16 residues pruned to eliminate duplicates Z: 18 26.113 2.197 0.475 0.815 1.000 0.647 CB 1.485 18 residues pruned to eliminate duplicates Z: 13 37.549 2.208 1.156 0.882 1.000 0.667 CA 1.648 13 residues pruned to eliminate duplicates Z: 14 37.746 2.170 1.011 0.903 1.000 0.846 CA 1.709 14 residues pruned to eliminate duplicates Z: 14 27.790 2.057 0.679 0.850 1.000 0.769 CB 1.653 14 residues pruned to eliminate duplicates Z: 13 33.316 2.204 0.827 0.939 1.000 0.917 CA 1.659 13 residues pruned to eliminate duplicates Z: 71 64.351 2.425 1.161 0.494 0.929 0.657 CB 1.590 71 residues pruned to eliminate duplicates Z: 7 7.734 1.807 0.275 0.840 0.833 0.667 CB 1.228 7 residues pruned to eliminate duplicates Z: 20 27.857 2.201 0.709 0.817 1.000 0.474 CB 1.290 20 residues pruned to eliminate duplicates Z: 10 18.924 2.090 0.584 0.881 0.889 0.778 CB 1.552 10 residues pruned to eliminate duplicates Z: 84 68.879 2.341 1.058 0.506 0.940 0.651 CB 1.660 84 residues pruned to eliminate duplicates Z: 16 26.852 2.308 0.570 0.819 0.933 0.733 CB 1.555 16 residues pruned to eliminate duplicates Z: 16 22.691 1.953 0.638 0.746 0.933 0.600 CA 1.576 16 residues pruned to eliminate duplicates Z: 10 11.629 1.775 0.431 0.878 0.889 0.889 CB 1.246 10 residues pruned to eliminate duplicates Z: 29 49.142 2.388 1.205 0.672 0.964 0.750 CB 1.560 29 residues pruned to eliminate duplicates Z: 22 28.166 2.142 0.716 0.744 0.905 0.524 CB 1.486 22 residues pruned to eliminate duplicates Z: 90 68.094 2.346 1.095 0.465 0.910 0.584 CB 1.673 90 residues pruned to eliminate duplicates Z: 77 43.776 2.125 0.803 0.586 0.921 0.618 CB 1.310 77 residues pruned to eliminate duplicates Z: 7 16.111 2.464 0.373 0.881 0.833 0.500 CB 1.690 7 residues pruned to eliminate duplicates Z: 20 26.153 2.063 0.549 0.800 1.000 0.737 CB 1.443 20 residues pruned to eliminate duplicates Z: 30 15.530 1.665 0.539 0.617 0.897 0.724 CB 1.124 Z: 14 39.772 2.060 1.414 0.894 0.923 0.846 CB 1.723 14 residues pruned to eliminate duplicates Z: 16 34.102 2.094 1.041 0.935 1.000 0.800 CB 1.436 16 residues pruned to eliminate duplicates Z: 11 18.531 1.921 0.418 0.877 1.000 0.400 CB 1.561 11 residues pruned to eliminate duplicates Z: 11 16.358 1.914 0.464 0.828 0.900 0.700 CA 1.545 11 residues pruned to eliminate duplicates Z: 51 35.942 2.171 1.026 0.433 0.900 0.620 CB 1.376 51 residues pruned to eliminate duplicates Z: 27 36.444 2.408 0.821 0.621 0.885 0.538 CB 1.644 27 residues pruned to eliminate duplicates Z: 24 27.804 2.222 0.965 0.535 0.913 0.565 CB 1.405 24 residues pruned to eliminate duplicates Z: 31 43.551 2.268 1.225 0.649 0.967 0.700 CB 1.420 31 residues pruned to eliminate duplicates Z: 40 28.378 1.957 0.864 0.563 0.872 0.667 CB 1.344 41 residues pruned to eliminate duplicates Z: 15 39.007 2.191 1.189 0.893 1.000 0.786 CB 1.560 15 residues pruned to eliminate duplicates Z: 15 32.591 2.204 1.040 0.914 1.000 0.929 CB 1.370 15 residues pruned to eliminate duplicates Z: 20 35.284 2.168 0.742 0.797 1.000 0.632 CB 1.653 18 residues pruned to eliminate duplicates Z: 12 15.608 1.643 0.814 0.897 1.000 0.727 CB 1.130 11 residues pruned to eliminate duplicates Z: 15 40.655 2.192 1.113 0.879 1.000 0.714 CA 1.702 15 residues pruned to eliminate duplicates Z: 14 26.045 2.278 0.517 0.868 0.923 0.615 CB 1.655 14 residues pruned to eliminate duplicates Z: 6 9.269 1.983 0.219 0.738 1.000 0.200 CB 1.386 6 residues pruned to eliminate duplicates Z: 48 51.302 2.464 1.062 0.477 0.872 0.638 CB 1.728 48 residues pruned to eliminate duplicates Z: 21 31.587 2.071 1.135 0.541 0.950 0.400 CA 1.615 21 residues pruned to eliminate duplicates Z: 11 12.578 1.670 0.500 0.901 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 21 20.947 2.067 0.377 0.612 0.900 0.800 CB 1.644 21 residues pruned to eliminate duplicates Z: 16 29.541 2.291 1.521 0.412 0.867 0.600 CB 1.671 16 residues pruned to eliminate duplicates Z: 10 12.433 1.939 0.579 0.553 0.889 0.667 CB 1.447 10 residues pruned to eliminate duplicates Z: 14 30.084 2.159 1.101 0.862 0.923 0.462 CB 1.463 14 residues pruned to eliminate duplicates Z: 16 18.800 2.051 0.467 0.894 1.000 0.800 CB 1.157 16 residues pruned to eliminate duplicates Z: 73 58.338 2.425 1.053 0.465 0.889 0.583 CB 1.609 73 residues pruned to eliminate duplicates Z: 33 39.974 2.246 1.013 0.529 0.938 0.594 CB 1.620 33 residues pruned to eliminate duplicates Z: 11 14.090 1.707 0.710 0.906 1.000 0.900 CB 1.086 11 residues pruned to eliminate duplicates Z: 31 15.235 1.744 0.723 0.543 0.733 0.500 CB 1.210 22 residues pruned to eliminate duplicates Z: 12 6.084 1.663 0.093 0.441 0.909 0.545 CB 1.180 12 residues pruned to eliminate duplicates Z: 10 13.110 1.729 0.581 0.887 1.000 0.444 CB 1.152 10 residues pruned to eliminate duplicates Z: 8 10.229 1.989 0.964 0.568 1.000 0.714 CB 0.927 Z: 9 21.487 2.315 1.262 0.385 1.000 0.625 CB 1.639 9 residues pruned to eliminate duplicates Z: 12 26.995 2.114 1.002 0.861 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 91 49.069 2.125 0.932 0.463 0.889 0.556 CB 1.471 91 residues pruned to eliminate duplicates Z: 6 7.507 1.974 0.411 0.832 0.600 0.400 N 1.508 6 residues pruned to eliminate duplicates Z: 32 20.054 1.989 0.844 0.325 0.903 0.613 CB 1.318 32 residues pruned to eliminate duplicates Z: 32 34.852 2.153 1.156 0.430 0.935 0.677 CB 1.549 32 residues pruned to eliminate duplicates Z: 22 18.562 2.073 0.821 0.361 0.857 0.619 CB 1.454 22 residues pruned to eliminate duplicates Z: 74 62.115 2.441 1.049 0.496 0.877 0.630 CB 1.664 74 residues pruned to eliminate duplicates Z: 19 14.776 1.945 0.400 0.759 0.889 0.778 CB 1.143 19 residues pruned to eliminate duplicates Z: 10 8.636 1.759 0.676 0.389 0.889 0.667 N 1.235 9 residues pruned to eliminate duplicates Z: 61 40.766 2.046 0.719 0.608 0.933 0.667 CB 1.447 61 residues pruned to eliminate duplicates Z: 27 20.287 2.028 0.692 0.511 0.808 0.654 CB 1.420 27 residues pruned to eliminate duplicates Z: 58 39.830 2.046 0.843 0.601 0.895 0.614 CB 1.419 59 residues pruned to eliminate duplicates Z: 23 43.505 2.270 1.135 0.670 0.955 0.636 CB 1.714 23 residues pruned to eliminate duplicates Z: 25 31.231 2.233 1.214 0.345 0.917 0.542 CB 1.664 25 residues pruned to eliminate duplicates Z: 33 16.971 1.797 0.690 0.495 0.812 0.656 CB 1.222 33 residues pruned to eliminate duplicates Z: 24 26.532 2.131 0.552 0.672 0.913 0.609 CB 1.563 24 residues pruned to eliminate duplicates Z: 10 13.953 1.828 0.369 0.891 1.000 1.000 CB 1.336 10 residues pruned to eliminate duplicates Z: 31 45.393 2.274 1.127 0.663 0.967 0.600 CB 1.523 31 residues pruned to eliminate duplicates Z: 19 30.468 2.064 0.738 0.861 0.944 0.556 CB 1.557 19 residues pruned to eliminate duplicates Z: 42 37.863 2.106 0.942 0.503 0.927 0.634 CB 1.555 42 residues pruned to eliminate duplicates Z: 14 18.977 1.971 0.780 0.785 0.923 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 16 31.049 2.173 0.817 0.913 1.000 0.867 CB 1.437 16 residues pruned to eliminate duplicates Z: 10 13.417 1.743 0.526 0.891 1.000 0.778 CB 1.209 10 residues pruned to eliminate duplicates Z: 11 12.098 1.703 0.344 0.882 1.000 0.600 CB 1.209 11 residues pruned to eliminate duplicates Z: 6 3.517 1.612 0.756 0.488 0.800 0.600 CA 0.703 6 residues pruned to eliminate duplicates Z: 8 6.865 1.684 0.367 0.530 0.857 0.571 CA 1.276 8 residues pruned to eliminate duplicates Z: 16 31.601 2.197 0.921 0.915 1.000 0.800 CB 1.366 16 residues pruned to eliminate duplicates Z: 28 23.154 2.172 0.830 0.425 0.889 0.593 CB 1.363 28 residues pruned to eliminate duplicates Z: 7 10.734 1.765 0.493 0.846 1.000 0.667 CB 1.236 7 residues pruned to eliminate duplicates Z: 6 6.420 1.746 0.151 0.650 1.000 1.000 O 1.242 Z: 28 43.127 2.265 1.173 0.600 0.926 0.556 CB 1.656 28 residues pruned to eliminate duplicates Z: 47 29.201 1.970 0.588 0.569 0.913 0.609 CB 1.409 48 residues pruned to eliminate duplicates Z: 49 41.949 2.274 1.127 0.498 0.896 0.583 CB 1.400 49 residues pruned to eliminate duplicates Z: 16 29.542 2.187 0.741 0.890 1.000 0.867 CB 1.441 16 residues pruned to eliminate duplicates Z: 18 11.285 1.752 0.443 0.498 0.941 0.706 CB 1.153 19 residues pruned to eliminate duplicates Z: 16 24.734 2.073 0.864 0.918 0.933 0.667 CB 1.249 16 residues pruned to eliminate duplicates Z: 34 32.251 2.161 0.917 0.441 0.909 0.485 CB 1.585 34 residues pruned to eliminate duplicates Z: 15 11.667 1.796 0.455 0.478 0.929 0.643 CB 1.314 15 residues pruned to eliminate duplicates Z: 26 43.854 2.220 1.209 0.611 0.920 0.680 CB 1.749 26 residues pruned to eliminate duplicates Z: 13 28.168 2.154 0.712 0.864 0.917 0.333 CB 1.764 13 residues pruned to eliminate duplicates Z: 11 16.144 1.978 0.602 0.800 0.900 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 14 32.910 2.186 0.909 0.890 1.000 0.846 CA 1.574 14 residues pruned to eliminate duplicates Z: 6 9.025 1.610 0.758 0.797 1.000 1.000 CA 1.099 6 residues pruned to eliminate duplicates Z: 22 13.015 1.944 0.897 0.175 0.810 0.524 CB 1.409 22 residues pruned to eliminate duplicates Z: 7 10.488 1.740 0.759 0.867 0.833 0.833 CB 1.228 7 residues pruned to eliminate duplicates Z: 17 25.401 2.203 1.066 0.594 0.938 0.500 CB 1.361 17 residues pruned to eliminate duplicates Z: 14 35.068 2.118 1.123 0.895 1.000 0.769 CA 1.550 14 residues pruned to eliminate duplicates Z: 13 20.887 1.978 1.202 0.372 0.917 0.333 CA 1.731 13 residues pruned to eliminate duplicates Z: 19 36.766 2.298 1.174 0.837 0.889 0.722 CB 1.460 19 residues pruned to eliminate duplicates Z: 87 51.248 2.122 0.904 0.484 0.942 0.616 CB 1.476 87 residues pruned to eliminate duplicates Z: 11 11.611 1.783 0.199 0.839 1.000 0.800 CB 1.283 11 residues pruned to eliminate duplicates Z: 15 26.913 2.082 0.761 0.890 0.857 0.643 CA 1.646 15 residues pruned to eliminate duplicates Z: 8 14.737 1.845 0.681 0.880 1.000 0.714 CB 1.302 8 residues pruned to eliminate duplicates Z: 7 11.961 1.890 0.774 0.854 0.833 0.667 CB 1.291 7 residues pruned to eliminate duplicates Z: 72 62.644 2.422 1.021 0.502 0.859 0.606 CB 1.764 72 residues pruned to eliminate duplicates Z: 35 44.460 2.416 1.244 0.454 0.882 0.588 CB 1.671 35 residues pruned to eliminate duplicates Z: 9 12.502 2.032 0.840 0.644 0.875 0.500 CB 1.182 9 residues pruned to eliminate duplicates Z: 64 45.640 2.188 0.910 0.483 0.921 0.540 CB 1.520 64 residues pruned to eliminate duplicates Z: 27 18.040 1.862 0.752 0.356 0.962 0.462 CB 1.317 27 residues pruned to eliminate duplicates Z: 51 31.107 2.077 0.826 0.535 0.900 0.580 CB 1.245 51 residues pruned to eliminate duplicates Z: 84 43.390 2.002 0.870 0.528 0.855 0.578 CB 1.446 100 residues pruned to eliminate duplicates Z: 9 24.265 2.124 1.016 0.925 1.000 0.625 CB 1.406 9 residues pruned to eliminate duplicates Z: 40 21.331 1.763 0.738 0.585 0.897 0.641 CB 1.144 40 residues pruned to eliminate duplicates Z: 23 26.195 2.174 0.557 0.703 0.909 0.682 CB 1.508 23 residues pruned to eliminate duplicates Z: 17 17.790 1.911 0.597 0.720 0.812 0.625 CA 1.470 17 residues pruned to eliminate duplicates Z: 90 50.449 2.170 0.890 0.465 0.899 0.596 CB 1.503 90 residues pruned to eliminate duplicates Z: 113 60.578 2.103 1.006 0.519 0.902 0.625 CB 1.477 113 residues pruned to eliminate duplicates Z: 9 8.172 1.821 0.741 0.490 1.000 0.500 CB 0.921 8 residues pruned to eliminate duplicates Z: 16 18.738 2.156 0.693 0.726 0.800 0.600 CB 1.351 16 residues pruned to eliminate duplicates Z: 24 32.164 2.306 0.944 0.542 0.957 0.696 CB 1.501 24 residues pruned to eliminate duplicates Z: 6 10.234 1.982 0.508 0.834 0.800 0.600 CB 1.435 6 residues pruned to eliminate duplicates Z: 70 66.518 2.329 1.321 0.466 0.942 0.652 CB 1.628 70 residues pruned to eliminate duplicates Z: 50 31.127 2.097 0.691 0.555 0.918 0.673 CB 1.295 50 residues pruned to eliminate duplicates Z: 15 18.556 1.961 1.249 0.336 0.857 0.571 CB 1.570 15 residues pruned to eliminate duplicates Z: 8 6.095 1.688 -0.040 0.623 1.000 0.857 CB 1.266 Z: 11 14.271 1.700 0.549 0.880 0.900 0.800 CB 1.380 11 residues pruned to eliminate duplicates Z: 27 15.573 1.805 0.565 0.490 0.846 0.577 CB 1.291 27 residues pruned to eliminate duplicates Z: 8 4.311 1.614 0.671 0.463 0.857 0.571 CB 0.732 Z: 73 53.873 2.269 1.093 0.503 0.903 0.569 CB 1.477 73 residues pruned to eliminate duplicates Z: 8 2.965 1.500 0.428 0.280 0.714 0.429 N 0.940 4 residues pruned to eliminate duplicates Z: 16 37.897 2.222 1.195 0.689 1.000 0.800 CB 1.687 16 residues pruned to eliminate duplicates Z: 16 30.525 2.181 0.848 0.883 1.000 0.867 CB 1.413 16 residues pruned to eliminate duplicates Z: 6 2.408 1.492 0.391 0.394 0.600 0.400 CB 0.968 Z: 15 32.392 2.176 0.686 0.828 1.000 0.714 CB 1.777 15 residues pruned to eliminate duplicates Z: 14 20.338 2.191 1.034 0.902 0.846 0.462 CB 1.067 14 residues pruned to eliminate duplicates Z: 7 8.866 1.699 0.793 0.852 0.833 0.667 N 1.055 7 residues pruned to eliminate duplicates Z: 16 20.488 2.043 0.710 0.907 0.933 0.867 CB 1.153 16 residues pruned to eliminate duplicates Z: 52 34.206 2.090 0.707 0.579 0.961 0.706 CB 1.295 52 residues pruned to eliminate duplicates Z: 15 21.621 2.129 0.845 0.920 0.929 0.714 CB 1.116 15 residues pruned to eliminate duplicates Z: 14 7.795 1.740 0.839 0.316 0.846 0.462 CB 0.978 10 residues pruned to eliminate duplicates Z: 7 13.077 1.847 1.133 0.570 1.000 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 20 14.877 2.149 0.679 0.370 0.842 0.421 CB 1.290 20 residues pruned to eliminate duplicates Z: 13 9.449 1.817 0.201 0.561 1.000 0.917 CB 1.178 13 residues pruned to eliminate duplicates Z: 25 14.222 1.756 0.551 0.525 0.833 0.500 CB 1.248 25 residues pruned to eliminate duplicates Z: 23 20.823 1.784 0.847 0.625 0.909 0.818 CB 1.317 22 residues pruned to eliminate duplicates Z: 12 12.797 1.634 0.395 0.870 1.000 0.636 CA 1.236 12 residues pruned to eliminate duplicates Z: 6 7.862 2.013 0.280 0.759 1.000 0.600 CB 1.084 6 residues pruned to eliminate duplicates Z: 8 10.933 1.689 0.770 0.605 0.857 0.571 CB 1.459 8 residues pruned to eliminate duplicates Z: 6 3.630 1.793 0.047 0.452 1.000 0.800 CB 0.908 5 residues pruned to eliminate duplicates Z: 11 10.176 1.736 0.226 0.862 0.900 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 15.157 2.092 0.758 0.659 1.000 0.800 CA 1.590 6 residues pruned to eliminate duplicates Z: 10 13.704 1.749 0.478 0.899 1.000 0.778 CB 1.263 10 residues pruned to eliminate duplicates Z: 15 16.761 2.045 0.729 0.497 0.929 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 8 4.692 1.593 0.033 0.399 1.000 0.571 CB 1.198 Z: 58 45.308 2.233 0.921 0.512 0.877 0.579 CB 1.576 58 residues pruned to eliminate duplicates Z: 18 12.207 1.582 0.698 0.522 0.941 0.765 CB 1.146 18 residues pruned to eliminate duplicates Z: 60 37.427 2.031 0.658 0.609 0.932 0.661 CB 1.400 60 residues pruned to eliminate duplicates Z: 31 44.063 2.266 1.214 0.668 0.967 0.667 CB 1.420 33 residues pruned to eliminate duplicates Z: 24 20.423 2.153 1.092 0.340 0.739 0.478 CB 1.523 24 residues pruned to eliminate duplicates Z: 28 33.482 2.230 1.073 0.533 0.926 0.630 CB 1.458 28 residues pruned to eliminate duplicates Z: 8 14.139 1.732 1.005 0.809 0.857 0.286 CB 1.372 8 residues pruned to eliminate duplicates Z: 20 21.013 2.059 1.173 0.336 0.842 0.526 CB 1.531 20 residues pruned to eliminate duplicates Z: 11 13.734 1.689 0.741 0.893 1.000 0.700 CB 1.060 11 residues pruned to eliminate duplicates Z: 14 17.066 2.264 0.672 0.388 0.846 0.615 CB 1.663 14 residues pruned to eliminate duplicates Z: 18 16.563 2.003 0.773 0.445 0.941 0.765 CB 1.271 18 residues pruned to eliminate duplicates Z: 12 15.073 2.177 1.118 0.280 0.727 0.455 CA 1.737 12 residues pruned to eliminate duplicates Z: 10 12.190 1.739 0.397 0.901 1.000 1.000 CB 1.194 10 residues pruned to eliminate duplicates Z: 9 3.859 1.785 0.197 0.344 0.750 0.625 CB 1.009 9 residues pruned to eliminate duplicates Z: 16 6.366 1.588 0.356 0.348 1.000 0.467 CB 0.900 16 residues pruned to eliminate duplicates 6 1.920 1.688 0.046 0.366 1.000 0.400 CB 0.562 ? Z: 11 16.498 1.828 0.561 0.881 1.000 0.700 CB 1.324 11 residues pruned to eliminate duplicates Z: 40 43.034 2.260 1.031 0.533 0.974 0.667 CB 1.491 40 residues pruned to eliminate duplicates Z: 35 29.905 2.117 0.935 0.515 0.882 0.735 CB 1.398 35 residues pruned to eliminate duplicates Z: 6 7.931 1.881 0.549 0.730 0.800 0.400 N 1.238 6 residues pruned to eliminate duplicates Z: 10 9.171 1.716 0.120 0.878 1.000 0.778 CB 1.154 10 residues pruned to eliminate duplicates Z: 86 69.814 2.369 1.089 0.497 0.918 0.647 CB 1.672 86 residues pruned to eliminate duplicates Z: 16 8.279 1.710 0.771 0.320 0.733 0.467 CB 1.173 16 residues pruned to eliminate duplicates Z: 40 45.741 2.202 1.192 0.466 0.949 0.590 CB 1.655 40 residues pruned to eliminate duplicates Z: 31 48.177 2.287 1.327 0.669 0.967 0.600 CB 1.463 31 residues pruned to eliminate duplicates Z: 15 32.178 2.118 0.975 0.896 0.929 0.857 CA 1.586 15 residues pruned to eliminate duplicates Z: 34 43.321 2.461 0.909 0.440 0.939 0.606 CB 1.818 34 residues pruned to eliminate duplicates Z: 28 29.361 2.114 0.668 0.669 0.926 0.667 CB 1.480 28 residues pruned to eliminate duplicates Z: 20 30.218 2.211 1.257 0.554 0.895 0.684 CB 1.473 21 residues pruned to eliminate duplicates Z: 18 16.115 1.960 0.494 0.439 1.000 0.706 CB 1.421 18 residues pruned to eliminate duplicates Z: 6 4.593 1.515 0.978 0.464 0.800 0.400 CB 0.889 6 residues pruned to eliminate duplicates Z: 42 33.794 2.045 0.864 0.498 0.951 0.634 CB 1.458 42 residues pruned to eliminate duplicates Z: 75 48.993 2.166 1.012 0.569 0.919 0.662 CB 1.330 75 residues pruned to eliminate duplicates Z: 15 10.005 1.872 0.737 0.305 0.786 0.500 CB 1.301 15 residues pruned to eliminate duplicates Z: 6 8.495 1.626 0.439 0.767 1.000 0.600 CB 1.281 6 residues pruned to eliminate duplicates Z: 8 17.887 1.766 1.063 0.861 1.000 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 15 21.655 2.225 0.608 0.889 0.929 0.857 CB 1.255 15 residues pruned to eliminate duplicates Z: 97 57.023 2.163 1.026 0.487 0.885 0.604 CB 1.520 97 residues pruned to eliminate duplicates Z: 37 35.099 2.173 1.047 0.602 0.944 0.667 CB 1.264 37 residues pruned to eliminate duplicates Z: 6 3.958 1.409 0.688 0.422 0.800 0.600 N 1.009 Z: 161 78.827 2.277 0.883 0.503 0.906 0.575 CB 1.598 188 residues pruned to eliminate duplicates Z: 12 20.504 1.959 0.679 0.879 0.909 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 15 16.234 2.183 0.671 0.382 0.929 0.643 CA 1.453 15 residues pruned to eliminate duplicates Z: 17 21.692 1.954 0.485 0.828 0.875 0.688 CA 1.609 17 residues pruned to eliminate duplicates Z: 20 26.646 2.204 0.779 0.835 0.947 0.684 CB 1.233 20 residues pruned to eliminate duplicates Z: 7 9.998 2.083 0.694 0.486 0.833 0.167 CB 1.408 7 residues pruned to eliminate duplicates Z: 10 18.933 2.037 0.530 0.895 1.000 0.556 CB 1.452 10 residues pruned to eliminate duplicates Z: 73 54.935 2.293 1.019 0.408 0.889 0.583 CB 1.733 73 residues pruned to eliminate duplicates Z: 16 26.563 2.046 0.865 0.916 1.000 0.800 CB 1.269 16 residues pruned to eliminate duplicates Z: 12 10.503 1.736 0.343 0.787 0.909 0.818 CB 1.161 12 residues pruned to eliminate duplicates Z: 6 2.265 1.608 0.486 0.230 0.800 0.800 CB 0.726 Z: 15 18.418 2.034 1.017 0.456 0.857 0.643 CB 1.464 15 residues pruned to eliminate duplicates Z: 8 6.630 1.829 0.756 0.444 0.714 0.714 CB 1.157 8 residues pruned to eliminate duplicates Z: 14 34.601 2.191 0.823 0.926 1.000 1.000 CA 1.685 14 residues pruned to eliminate duplicates Z: 13 15.331 2.064 0.337 0.821 0.917 0.583 CB 1.325 13 residues pruned to eliminate duplicates Z: 44 36.237 2.187 0.862 0.501 0.907 0.558 CB 1.496 44 residues pruned to eliminate duplicates Z: 12 9.405 1.465 0.597 0.805 0.909 0.455 CB 1.022 12 residues pruned to eliminate duplicates Z: 13 9.567 1.484 0.342 0.845 1.000 0.583 CB 1.031 13 residues pruned to eliminate duplicates Z: 10 15.168 1.757 0.728 0.933 1.000 0.778 CB 1.162 Z: 12 17.017 2.140 0.933 0.827 0.909 0.364 CB 1.028 12 residues pruned to eliminate duplicates Z: 29 23.581 1.813 0.705 0.563 0.964 0.714 CB 1.407 39 residues pruned to eliminate duplicates Z: 6 5.549 1.281 0.552 0.642 1.000 0.600 CA 1.094 Z: 14 9.239 1.457 0.347 0.833 0.923 0.538 CB 1.060 14 residues pruned to eliminate duplicates Z: 16 32.265 2.244 1.019 0.914 1.000 0.800 CB 1.300 16 residues pruned to eliminate duplicates Z: 21 13.758 1.759 0.463 0.538 0.900 0.750 CB 1.279 21 residues pruned to eliminate duplicates Z: 21 16.951 1.950 0.756 0.412 0.850 0.600 CB 1.427 21 residues pruned to eliminate duplicates Z: 12 34.133 2.147 1.162 0.869 1.000 0.909 CB 1.619 12 residues pruned to eliminate duplicates Z: 9 8.689 1.780 0.682 0.486 0.875 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 21 36.190 2.413 1.034 0.604 0.950 0.700 CB 1.573 21 residues pruned to eliminate duplicates Z: 6 3.196 1.390 0.323 0.604 0.800 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 28 46.961 2.285 1.281 0.676 1.000 0.667 CB 1.475 28 residues pruned to eliminate duplicates Z: 29 31.019 2.277 0.957 0.534 0.857 0.643 CB 1.484 29 residues pruned to eliminate duplicates Z: 9 10.002 1.599 0.440 0.785 1.000 0.625 CB 1.195 9 residues pruned to eliminate duplicates Z: 13 11.095 1.481 0.575 0.838 0.917 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 10 8.598 1.565 0.448 0.874 0.889 0.889 CB 1.036 10 residues pruned to eliminate duplicates Z: 7 3.091 1.543 0.343 0.243 0.833 0.500 CB 0.984 Z: 11 16.275 1.902 0.452 0.854 0.900 0.800 CB 1.529 11 residues pruned to eliminate duplicates Z: 37 27.562 1.876 0.922 0.396 0.944 0.639 CB 1.504 37 residues pruned to eliminate duplicates Z: 9 7.519 1.625 0.403 0.837 1.000 0.750 CB 0.872 9 residues pruned to eliminate duplicates Z: 7 7.643 1.675 0.822 0.851 1.000 1.000 CB 0.757 Z: 69 42.490 2.157 0.962 0.429 0.897 0.485 CB 1.461 69 residues pruned to eliminate duplicates Z: 11 24.196 2.131 1.170 0.739 1.000 0.300 CB 1.335 11 residues pruned to eliminate duplicates Z: 28 11.022 1.589 0.378 0.485 0.889 0.593 CB 1.106 28 residues pruned to eliminate duplicates Z: 6 3.717 1.431 1.010 0.404 0.800 0.400 CB 0.800 6 residues pruned to eliminate duplicates Z: 35 34.072 2.255 0.929 0.613 0.912 0.765 CB 1.323 35 residues pruned to eliminate duplicates Z: 13 9.778 1.744 0.370 0.518 0.917 0.417 CB 1.266 13 residues pruned to eliminate duplicates Z: 15 32.731 2.198 1.006 0.919 1.000 0.786 CB 1.398 15 residues pruned to eliminate duplicates Z: 20 29.171 2.163 0.593 0.739 0.947 0.684 CB 1.654 26 residues pruned to eliminate duplicates 397 residues left after pruning, divided into chains as follows: A: 6 B: 30 C: 206 D: 155 CC for partial structure against native data = 40.25 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.565, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.651, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.777, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.789, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.801, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.805, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.809, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.810, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.811, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.811, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2001 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 509 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 30.532 2.355 0.702 0.888 0.900 0.800 CA 1.929 B: 16 39.562 2.289 0.796 0.867 1.000 0.800 CB 1.818 12 residues pruned to eliminate duplicates C: 13 46.131 2.435 1.065 0.896 1.000 0.667 CA 1.897 D: 12 31.495 2.451 0.569 0.856 0.909 0.727 CA 2.004 12 residues pruned to eliminate duplicates E: 17 27.697 2.242 0.464 0.819 0.875 0.625 CA 1.828 17 residues pruned to eliminate duplicates F: 30 47.798 2.399 1.183 0.644 0.897 0.517 CB 1.653 15 residues pruned to eliminate duplicates G: 12 35.181 2.448 0.717 0.869 0.909 0.727 CA 2.028 12 residues pruned to eliminate duplicates H: 51 59.070 2.535 1.052 0.517 0.920 0.600 CB 1.717 29 residues pruned to eliminate duplicates I: 20 28.450 2.329 0.856 0.681 0.895 0.474 CB 1.428 21 residues pruned to eliminate duplicates J: 14 39.194 2.234 1.062 0.892 1.000 0.846 CB 1.696 K: 13 40.908 2.367 1.135 0.906 0.917 0.917 CB 1.813 13 residues pruned to eliminate duplicates L: 11 22.935 2.137 0.596 0.929 0.900 0.900 CB 1.653 M: 11 30.121 2.419 0.602 0.838 1.000 0.700 CA 1.837 11 residues pruned to eliminate duplicates N: 14 41.648 2.303 0.942 0.877 1.000 0.846 CA 1.876 14 residues pruned to eliminate duplicates O: 14 31.039 2.234 0.744 0.883 1.000 0.923 CB 1.598 15 residues pruned to eliminate duplicates P: 15 42.124 2.187 0.992 0.905 1.000 0.714 CA 1.839 14 residues pruned to eliminate duplicates Q: 17 34.052 2.190 0.982 0.912 1.000 0.688 CB 1.389 16 residues pruned to eliminate duplicates R: 13 29.033 2.318 0.537 0.908 0.917 0.917 CB 1.823 13 residues pruned to eliminate duplicates S: 16 35.215 2.074 1.164 0.877 0.867 0.600 CA 1.697 16 residues pruned to eliminate duplicates T: 28 52.436 2.486 1.161 0.647 0.926 0.556 CB 1.769 28 residues pruned to eliminate duplicates U: 14 37.427 2.295 1.085 0.854 0.923 0.769 CA 1.736 14 residues pruned to eliminate duplicates V: 12 24.583 2.170 0.548 0.851 1.000 0.909 CA 1.634 W: 20 29.771 2.195 1.048 0.734 0.842 0.526 CB 1.462 20 residues pruned to eliminate duplicates X: 13 34.516 2.374 0.587 0.882 1.000 0.833 CB 1.914 13 residues pruned to eliminate duplicates Y: 18 26.957 2.044 0.701 0.818 0.882 0.529 CB 1.617 12 residues pruned to eliminate duplicates Z: 73 47.156 2.241 0.779 0.535 0.931 0.708 CB 1.447 35 residues pruned to eliminate duplicates Z: 14 28.145 2.248 0.678 0.905 0.923 0.846 CB 1.596 11 residues pruned to eliminate duplicates Z: 12 38.692 2.375 0.927 0.931 1.000 1.000 CB 1.781 14 residues pruned to eliminate duplicates Z: 13 29.609 2.345 0.636 0.868 0.917 0.833 CA 1.777 13 residues pruned to eliminate duplicates Z: 18 25.788 2.213 0.586 0.850 0.941 0.647 CB 1.402 Z: 13 33.617 2.216 1.170 0.832 0.917 0.667 CB 1.653 Z: 17 24.628 2.064 0.575 0.799 0.875 0.562 CA 1.667 Z: 19 29.180 2.145 0.484 0.805 1.000 0.556 CB 1.656 17 residues pruned to eliminate duplicates Z: 15 37.154 2.367 1.050 0.908 1.000 0.500 CB 1.453 15 residues pruned to eliminate duplicates Z: 15 29.886 2.144 0.785 0.855 0.929 0.857 CB 1.659 14 residues pruned to eliminate duplicates Z: 50 56.693 2.533 1.007 0.472 0.918 0.571 CB 1.784 50 residues pruned to eliminate duplicates Z: 19 28.520 2.352 0.696 0.836 0.889 0.611 CB 1.419 19 residues pruned to eliminate duplicates Z: 16 23.582 2.254 0.569 0.815 0.933 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 14 30.062 2.282 0.703 0.864 0.923 0.769 CA 1.703 14 residues pruned to eliminate duplicates Z: 16 27.016 2.431 0.876 0.586 0.867 0.600 CB 1.626 Z: 12 28.865 2.441 0.557 0.839 0.909 0.818 CA 1.880 12 residues pruned to eliminate duplicates Z: 13 37.548 2.416 0.882 0.904 0.917 0.750 CA 1.852 13 residues pruned to eliminate duplicates Z: 15 44.848 2.404 1.168 0.913 1.000 0.500 CB 1.627 16 residues pruned to eliminate duplicates Z: 12 25.892 2.237 0.574 0.851 0.909 0.818 CA 1.806 12 residues pruned to eliminate duplicates Z: 12 49.798 2.620 1.042 0.913 1.000 0.727 CB 1.986 12 residues pruned to eliminate duplicates Z: 16 24.333 2.164 0.418 0.836 0.933 0.600 CB 1.641 16 residues pruned to eliminate duplicates Z: 40 25.123 1.983 0.567 0.573 0.872 0.615 CB 1.384 Z: 29 53.220 2.455 1.243 0.655 0.929 0.500 CB 1.704 29 residues pruned to eliminate duplicates Z: 13 44.543 2.473 1.152 0.882 0.917 0.667 CA 1.907 13 residues pruned to eliminate duplicates Z: 23 23.656 2.154 0.934 0.413 0.955 0.591 CB 1.389 19 residues pruned to eliminate duplicates Z: 14 29.335 2.300 0.716 0.826 0.923 0.692 CA 1.685 13 residues pruned to eliminate duplicates Z: 6 7.607 2.004 0.371 0.531 0.800 0.600 CA 1.502 Z: 13 38.370 2.432 0.981 0.849 0.917 0.583 CA 1.859 14 residues pruned to eliminate duplicates Z: 70 59.088 2.445 1.014 0.472 0.913 0.551 CB 1.627 60 residues pruned to eliminate duplicates Z: 15 28.479 2.157 0.639 0.851 0.929 0.714 CB 1.716 16 residues pruned to eliminate duplicates Z: 44 46.832 2.361 0.880 0.482 0.977 0.558 CB 1.676 14 residues pruned to eliminate duplicates Z: 12 22.926 2.175 0.513 0.834 0.909 0.818 CB 1.733 12 residues pruned to eliminate duplicates Z: 100 73.433 2.424 0.950 0.501 0.899 0.636 CB 1.735 138 residues pruned to eliminate duplicates Z: 52 35.390 2.132 0.711 0.530 0.980 0.627 CB 1.346 52 residues pruned to eliminate duplicates Z: 66 65.214 2.516 1.085 0.504 0.862 0.646 CB 1.783 55 residues pruned to eliminate duplicates Z: 6 12.394 2.222 0.472 0.627 1.000 0.400 CB 1.504 6 residues pruned to eliminate duplicates Z: 91 73.593 2.459 0.979 0.464 0.933 0.567 CB 1.772 91 residues pruned to eliminate duplicates Z: 13 40.486 2.320 0.936 0.912 1.000 0.833 CA 1.842 13 residues pruned to eliminate duplicates Z: 15 24.436 2.158 0.811 0.923 1.000 0.643 CB 1.175 15 residues pruned to eliminate duplicates Z: 14 23.046 2.338 0.364 0.878 0.923 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 13 35.181 2.230 1.023 0.908 1.000 0.833 CA 1.599 14 residues pruned to eliminate duplicates Z: 14 32.977 2.190 0.771 0.919 1.000 0.923 CB 1.662 14 residues pruned to eliminate duplicates Z: 59 32.962 2.052 0.525 0.610 0.897 0.638 CB 1.390 58 residues pruned to eliminate duplicates Z: 17 23.807 2.149 0.436 0.836 0.875 0.812 CA 1.651 17 residues pruned to eliminate duplicates Z: 25 36.225 2.355 1.150 0.591 0.875 0.625 CB 1.530 25 residues pruned to eliminate duplicates Z: 6 20.681 2.281 0.937 0.644 1.000 0.600 CA 1.829 Z: 10 18.544 2.436 -0.012 0.920 1.000 1.000 CB 1.809 Z: 14 41.898 2.333 1.243 0.777 1.000 0.846 CB 1.739 13 residues pruned to eliminate duplicates Z: 19 28.517 2.114 0.389 0.871 1.000 0.611 CB 1.670 19 residues pruned to eliminate duplicates Z: 17 28.299 2.110 1.010 0.912 1.000 0.312 CB 1.181 Z: 32 40.069 2.298 0.987 0.640 0.903 0.710 CB 1.530 32 residues pruned to eliminate duplicates Z: 16 29.292 2.084 0.910 0.839 0.867 0.667 CA 1.637 16 residues pruned to eliminate duplicates Z: 6 5.721 1.478 0.414 0.571 1.000 0.600 CA 1.143 Z: 8 19.897 2.456 0.466 0.850 0.857 0.714 CA 1.805 8 residues pruned to eliminate duplicates Z: 9 10.669 1.963 0.695 0.479 0.875 0.625 CA 1.323 8 residues pruned to eliminate duplicates Z: 107 86.834 2.490 1.078 0.505 0.934 0.566 CB 1.737 112 residues pruned to eliminate duplicates Z: 84 46.286 2.195 0.728 0.475 0.916 0.530 CB 1.500 36 residues pruned to eliminate duplicates Z: 50 49.257 2.406 0.930 0.475 0.898 0.551 CB 1.731 50 residues pruned to eliminate duplicates Z: 114 83.951 2.466 1.005 0.492 0.929 0.619 CB 1.733 107 residues pruned to eliminate duplicates Z: 7 12.960 2.039 0.232 0.786 1.000 0.500 CB 1.638 7 residues pruned to eliminate duplicates Z: 90 51.381 2.209 0.842 0.454 0.910 0.607 CB 1.541 84 residues pruned to eliminate duplicates Z: 72 68.335 2.516 1.051 0.517 0.901 0.634 CB 1.715 72 residues pruned to eliminate duplicates Z: 26 39.243 2.401 1.121 0.637 0.880 0.640 CB 1.541 26 residues pruned to eliminate duplicates Z: 19 26.510 2.128 0.648 0.834 0.944 0.333 CB 1.415 19 residues pruned to eliminate duplicates Z: 18 27.838 2.077 0.671 0.849 0.882 0.471 CA 1.634 18 residues pruned to eliminate duplicates Z: 41 31.736 2.162 0.773 0.568 0.900 0.550 CB 1.362 41 residues pruned to eliminate duplicates Z: 15 25.834 2.247 0.695 0.763 0.857 0.500 CA 1.674 15 residues pruned to eliminate duplicates Z: 13 13.695 1.800 0.717 0.775 0.667 0.583 CB 1.504 13 residues pruned to eliminate duplicates Z: 10 17.245 2.168 0.357 0.810 0.889 0.778 CB 1.677 10 residues pruned to eliminate duplicates Z: 16 27.792 2.097 0.713 0.865 1.000 0.667 CA 1.463 16 residues pruned to eliminate duplicates Z: 40 26.595 1.987 0.615 0.594 0.872 0.667 CB 1.391 40 residues pruned to eliminate duplicates Z: 12 31.852 2.325 0.648 0.939 1.000 1.000 CB 1.741 12 residues pruned to eliminate duplicates Z: 29 48.692 2.360 1.246 0.658 0.929 0.643 CB 1.614 17 residues pruned to eliminate duplicates Z: 12 44.063 2.353 1.225 0.919 1.000 0.909 CB 1.789 12 residues pruned to eliminate duplicates Z: 9 22.899 2.168 0.682 0.808 1.000 0.625 CB 1.696 9 residues pruned to eliminate duplicates Z: 9 19.710 2.116 0.635 0.853 0.875 0.750 CB 1.701 9 residues pruned to eliminate duplicates Z: 10 15.927 2.044 0.411 0.781 0.889 0.778 CB 1.617 10 residues pruned to eliminate duplicates Z: 29 26.230 2.104 0.882 0.547 0.893 0.607 CB 1.339 29 residues pruned to eliminate duplicates Z: 16 26.653 2.103 0.578 0.854 0.933 0.667 CB 1.641 16 residues pruned to eliminate duplicates Z: 7 9.245 1.980 0.473 0.663 0.833 0.500 CA 1.334 7 residues pruned to eliminate duplicates Z: 16 24.585 2.158 0.336 0.813 1.000 0.800 CB 1.678 15 residues pruned to eliminate duplicates Z: 122 64.227 2.214 0.919 0.484 0.934 0.554 CB 1.497 116 residues pruned to eliminate duplicates Z: 11 18.212 1.955 0.460 0.816 0.900 0.500 CB 1.704 11 residues pruned to eliminate duplicates Z: 15 17.996 2.213 0.235 0.866 0.857 0.857 CB 1.502 15 residues pruned to eliminate duplicates Z: 12 22.166 1.914 0.735 0.857 0.909 0.636 CB 1.632 12 residues pruned to eliminate duplicates Z: 57 29.467 1.989 0.781 0.420 0.821 0.589 CB 1.472 57 residues pruned to eliminate duplicates Z: 15 30.472 2.170 0.857 0.867 0.857 0.643 CB 1.724 15 residues pruned to eliminate duplicates Z: 15 20.350 2.190 0.505 0.921 0.929 0.571 CB 1.250 15 residues pruned to eliminate duplicates Z: 15 20.900 2.108 0.530 0.863 0.857 0.786 CB 1.482 15 residues pruned to eliminate duplicates Z: 17 21.906 2.055 0.588 0.849 1.000 0.750 CB 1.244 16 residues pruned to eliminate duplicates Z: 49 49.045 2.515 0.918 0.449 0.875 0.625 CB 1.768 49 residues pruned to eliminate duplicates Z: 16 26.803 2.000 0.907 0.848 0.933 0.600 CA 1.442 16 residues pruned to eliminate duplicates Z: 27 19.420 2.195 0.530 0.338 0.885 0.462 CB 1.530 27 residues pruned to eliminate duplicates Z: 28 35.108 2.396 0.955 0.557 0.852 0.444 CB 1.602 28 residues pruned to eliminate duplicates Z: 35 40.061 2.521 0.923 0.446 0.824 0.559 CB 1.819 35 residues pruned to eliminate duplicates Z: 110 70.442 2.402 0.922 0.440 0.899 0.569 CB 1.728 110 residues pruned to eliminate duplicates Z: 17 19.143 2.144 0.432 0.774 0.938 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 14 27.880 2.209 0.483 0.913 1.000 0.846 CA 1.670 14 residues pruned to eliminate duplicates Z: 30 16.323 2.106 0.408 0.320 0.862 0.517 CB 1.445 30 residues pruned to eliminate duplicates Z: 16 15.787 2.084 0.350 0.915 1.000 0.733 CB 1.024 16 residues pruned to eliminate duplicates Z: 18 27.142 2.066 0.880 0.803 0.941 0.765 CB 1.381 18 residues pruned to eliminate duplicates Z: 16 29.018 2.163 0.822 0.916 1.000 0.733 CB 1.343 16 residues pruned to eliminate duplicates Z: 15 24.528 2.147 0.497 0.859 0.929 0.857 CB 1.615 15 residues pruned to eliminate duplicates Z: 14 25.684 2.165 0.863 0.833 0.923 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 16 29.116 2.217 0.518 0.807 1.000 0.667 CB 1.708 17 residues pruned to eliminate duplicates Z: 51 36.224 2.241 0.771 0.470 0.920 0.580 CB 1.446 51 residues pruned to eliminate duplicates Z: 21 27.655 2.207 0.398 0.797 1.000 0.650 CB 1.545 21 residues pruned to eliminate duplicates Z: 55 34.913 2.209 0.758 0.439 0.907 0.593 CB 1.436 55 residues pruned to eliminate duplicates Z: 16 30.162 2.137 0.603 0.870 1.000 0.600 CB 1.659 15 residues pruned to eliminate duplicates Z: 27 29.635 2.177 0.669 0.676 0.923 0.615 CB 1.473 18 residues pruned to eliminate duplicates Z: 52 49.553 2.488 0.800 0.427 0.941 0.529 CB 1.777 52 residues pruned to eliminate duplicates Z: 26 18.947 1.856 0.577 0.529 0.840 0.560 CB 1.498 26 residues pruned to eliminate duplicates Z: 30 28.321 2.297 0.750 0.522 0.862 0.517 CB 1.486 30 residues pruned to eliminate duplicates Z: 38 24.646 2.053 0.486 0.578 0.838 0.459 CB 1.471 27 residues pruned to eliminate duplicates Z: 6 7.499 1.818 0.439 0.834 1.000 1.000 CB 0.962 Z: 57 37.189 2.034 0.885 0.486 0.929 0.607 CB 1.416 59 residues pruned to eliminate duplicates Z: 15 13.385 2.113 0.584 0.484 0.857 0.643 CB 1.267 15 residues pruned to eliminate duplicates Z: 17 23.215 2.216 0.369 0.823 0.938 0.688 CB 1.543 17 residues pruned to eliminate duplicates Z: 15 22.732 2.274 0.259 0.855 1.000 0.857 CB 1.565 15 residues pruned to eliminate duplicates Z: 35 44.184 2.495 0.925 0.439 0.882 0.588 CB 1.905 35 residues pruned to eliminate duplicates Z: 14 35.350 2.242 0.824 0.895 1.000 0.923 CB 1.719 14 residues pruned to eliminate duplicates Z: 7 12.244 1.992 0.807 0.636 0.833 0.667 CA 1.468 7 residues pruned to eliminate duplicates Z: 18 24.085 1.956 0.523 0.859 0.882 0.647 CB 1.635 18 residues pruned to eliminate duplicates Z: 17 26.109 2.144 0.530 0.830 0.938 0.750 CB 1.596 17 residues pruned to eliminate duplicates Z: 27 46.420 2.282 1.216 0.580 0.962 0.692 CB 1.733 27 residues pruned to eliminate duplicates Z: 15 24.815 2.121 0.409 0.837 1.000 0.714 CB 1.661 15 residues pruned to eliminate duplicates Z: 28 53.388 2.463 1.102 0.664 1.000 0.667 CB 1.704 30 residues pruned to eliminate duplicates Z: 26 29.414 2.185 0.617 0.705 0.920 0.680 CB 1.501 26 residues pruned to eliminate duplicates Z: 12 19.381 1.889 0.536 0.787 0.909 0.727 N 1.722 12 residues pruned to eliminate duplicates Z: 25 33.269 2.331 0.676 0.693 0.917 0.667 CB 1.589 25 residues pruned to eliminate duplicates Z: 20 12.167 2.008 0.432 0.365 0.842 0.474 CB 1.332 20 residues pruned to eliminate duplicates Z: 45 35.768 2.268 0.921 0.401 0.886 0.659 CB 1.550 45 residues pruned to eliminate duplicates Z: 19 20.462 2.241 0.564 0.811 0.833 0.556 CB 1.260 19 residues pruned to eliminate duplicates Z: 30 34.802 2.235 0.871 0.568 0.897 0.621 CB 1.614 30 residues pruned to eliminate duplicates Z: 10 19.435 2.246 0.491 0.871 0.889 0.889 CA 1.586 10 residues pruned to eliminate duplicates Z: 13 24.605 2.188 0.531 0.814 0.917 0.917 CA 1.761 13 residues pruned to eliminate duplicates Z: 17 24.747 2.106 0.685 0.780 1.000 0.688 CB 1.363 17 residues pruned to eliminate duplicates Z: 15 36.335 2.115 1.248 0.896 0.929 0.786 CB 1.576 15 residues pruned to eliminate duplicates Z: 51 27.016 2.094 0.770 0.378 0.820 0.560 CB 1.432 67 residues pruned to eliminate duplicates Z: 19 21.127 2.123 0.439 0.811 0.944 0.667 CB 1.316 19 residues pruned to eliminate duplicates Z: 7 12.124 1.998 0.982 0.512 0.833 0.500 CA 1.482 7 residues pruned to eliminate duplicates Z: 14 29.654 2.259 0.741 0.873 0.923 0.769 CB 1.651 14 residues pruned to eliminate duplicates Z: 7 15.407 2.094 0.896 0.624 1.000 0.667 CA 1.409 7 residues pruned to eliminate duplicates Z: 13 10.863 1.539 0.839 0.631 1.000 0.583 CB 0.980 13 residues pruned to eliminate duplicates Z: 10 4.620 1.692 0.131 0.325 0.778 0.444 N 1.254 Z: 9 12.252 2.130 0.485 0.790 0.750 0.375 CB 1.415 9 residues pruned to eliminate duplicates Z: 9 6.845 1.917 0.359 0.485 0.750 0.500 CB 1.257 9 residues pruned to eliminate duplicates Z: 17 11.228 1.978 0.467 0.436 0.812 0.500 CB 1.271 17 residues pruned to eliminate duplicates Z: 12 21.246 2.156 0.417 0.812 1.000 0.636 CA 1.598 12 residues pruned to eliminate duplicates Z: 15 34.629 2.309 1.030 0.900 1.000 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 15 36.216 2.345 1.097 0.927 0.929 0.571 CB 1.486 15 residues pruned to eliminate duplicates Z: 6 5.468 1.966 -0.003 0.795 0.800 0.600 CA 1.205 6 residues pruned to eliminate duplicates Z: 16 20.396 2.190 0.547 0.882 0.933 0.867 CB 1.206 16 residues pruned to eliminate duplicates Z: 21 36.168 2.489 1.051 0.379 0.950 0.550 CB 1.897 21 residues pruned to eliminate duplicates Z: 6 4.604 1.970 -0.019 0.670 1.000 0.600 CA 0.910 6 residues pruned to eliminate duplicates Z: 8 8.520 1.675 0.352 0.895 0.857 0.857 CB 1.190 Z: 21 17.798 2.154 0.527 0.801 0.850 0.550 CB 1.094 21 residues pruned to eliminate duplicates Z: 13 19.998 2.173 0.782 0.933 0.917 0.167 CB 1.135 13 residues pruned to eliminate duplicates Z: 23 23.822 2.048 0.860 0.575 0.864 0.455 CB 1.437 23 residues pruned to eliminate duplicates Z: 13 33.891 2.339 1.006 0.863 0.833 0.750 CA 1.835 13 residues pruned to eliminate duplicates Z: 20 31.544 2.359 0.747 0.788 0.895 0.474 CB 1.523 20 residues pruned to eliminate duplicates Z: 6 9.423 2.147 0.009 0.889 1.000 1.000 CB 1.400 6 residues pruned to eliminate duplicates Z: 15 27.202 2.257 0.957 0.895 0.929 0.571 CB 1.271 15 residues pruned to eliminate duplicates Z: 14 28.257 2.223 0.701 0.734 1.000 0.769 CB 1.679 14 residues pruned to eliminate duplicates Z: 6 3.984 1.679 0.350 0.580 0.600 0.600 N 1.213 Z: 16 29.754 2.222 0.771 0.906 1.000 0.800 CB 1.388 16 residues pruned to eliminate duplicates Z: 8 12.320 1.847 0.306 0.895 1.000 0.714 CB 1.384 8 residues pruned to eliminate duplicates Z: 90 54.990 2.254 0.898 0.477 0.876 0.584 CB 1.590 90 residues pruned to eliminate duplicates Z: 114 78.252 2.458 0.880 0.485 0.929 0.637 CB 1.741 114 residues pruned to eliminate duplicates Z: 15 15.047 2.008 0.680 0.487 0.929 0.643 CB 1.302 15 residues pruned to eliminate duplicates Z: 28 35.216 2.319 1.015 0.566 0.889 0.667 CB 1.530 28 residues pruned to eliminate duplicates Z: 27 50.230 2.492 0.972 0.688 1.000 0.654 CB 1.688 27 residues pruned to eliminate duplicates Z: 44 48.426 2.458 1.008 0.489 0.860 0.605 CB 1.758 44 residues pruned to eliminate duplicates Z: 9 10.801 1.566 0.641 0.899 1.000 0.875 CB 1.062 8 residues pruned to eliminate duplicates Z: 8 14.340 2.232 0.862 0.592 0.857 0.714 CA 1.393 8 residues pruned to eliminate duplicates Z: 12 8.126 1.569 0.671 0.457 0.909 0.545 CB 1.074 12 residues pruned to eliminate duplicates Z: 25 56.451 2.572 1.215 0.711 0.958 0.625 CB 1.742 26 residues pruned to eliminate duplicates Z: 8 10.898 1.970 0.890 0.581 1.000 0.571 CB 1.024 Z: 13 30.883 2.376 0.661 0.863 0.917 0.667 CB 1.808 13 residues pruned to eliminate duplicates Z: 13 43.741 2.420 0.984 0.891 1.000 0.833 CB 1.890 13 residues pruned to eliminate duplicates Z: 7 9.154 1.953 0.342 0.861 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 9 22.294 2.205 0.768 0.784 1.000 0.750 CA 1.574 9 residues pruned to eliminate duplicates Z: 8 6.059 1.653 0.343 0.686 0.714 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 41 43.420 2.361 1.145 0.441 0.925 0.550 CB 1.557 41 residues pruned to eliminate duplicates Z: 52 52.095 2.477 0.949 0.448 0.922 0.647 CB 1.729 52 residues pruned to eliminate duplicates Z: 12 6.191 1.695 0.163 0.435 0.818 0.545 CB 1.239 Z: 22 16.442 2.048 0.572 0.407 0.905 0.762 CB 1.358 22 residues pruned to eliminate duplicates Z: 6 4.718 1.733 0.440 0.601 0.800 0.800 CB 0.960 6 residues pruned to eliminate duplicates Z: 9 8.961 1.826 0.700 0.407 1.000 0.875 CB 1.126 9 residues pruned to eliminate duplicates Z: 26 22.821 2.012 0.922 0.411 0.920 0.520 CB 1.408 26 residues pruned to eliminate duplicates Z: 56 28.785 1.943 0.730 0.487 0.873 0.618 CB 1.342 56 residues pruned to eliminate duplicates Z: 8 2.387 1.526 0.242 0.225 0.571 0.429 N 1.149 Z: 67 65.611 2.496 0.949 0.487 0.924 0.652 CB 1.819 67 residues pruned to eliminate duplicates Z: 8 8.392 1.778 0.031 0.890 1.000 0.857 CB 1.244 8 residues pruned to eliminate duplicates Z: 16 25.825 2.264 0.529 0.845 1.000 0.467 CB 1.433 17 residues pruned to eliminate duplicates Z: 28 32.768 2.222 0.919 0.598 0.889 0.630 CB 1.516 28 residues pruned to eliminate duplicates Z: 25 28.908 2.198 0.573 0.667 0.958 0.625 CB 1.526 25 residues pruned to eliminate duplicates Z: 20 24.537 2.111 0.517 0.689 0.895 0.789 CB 1.653 20 residues pruned to eliminate duplicates Z: 15 23.743 2.024 1.032 0.822 0.857 0.000 CB 1.361 15 residues pruned to eliminate duplicates Z: 14 5.984 1.926 0.319 0.359 0.692 0.615 CB 1.098 14 residues pruned to eliminate duplicates Z: 11 12.918 1.759 0.154 0.889 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 19 20.881 2.048 0.389 0.827 0.944 0.611 CB 1.380 19 residues pruned to eliminate duplicates Z: 11 15.486 2.103 0.563 0.432 1.000 0.500 CB 1.598 11 residues pruned to eliminate duplicates Z: 52 34.253 2.228 0.733 0.426 0.902 0.529 CB 1.488 52 residues pruned to eliminate duplicates Z: 11 23.496 2.165 0.643 0.805 1.000 0.700 CB 1.600 11 residues pruned to eliminate duplicates Z: 16 27.883 2.252 0.692 0.814 0.933 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 8 7.416 1.713 0.380 0.782 0.857 0.571 CB 1.079 8 residues pruned to eliminate duplicates Z: 74 62.340 2.482 0.852 0.496 0.877 0.671 CB 1.818 74 residues pruned to eliminate duplicates Z: 6 5.728 1.818 0.252 0.629 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 75 66.391 2.502 1.048 0.480 0.878 0.635 CB 1.749 75 residues pruned to eliminate duplicates Z: 11 12.468 1.956 0.252 0.829 0.800 0.700 CB 1.514 11 residues pruned to eliminate duplicates Z: 28 37.891 2.362 1.104 0.614 0.889 0.370 CB 1.482 28 residues pruned to eliminate duplicates Z: 8 2.164 1.503 0.014 0.374 0.857 0.429 CB 0.716 Z: 20 31.565 2.361 0.900 0.725 0.842 0.737 CB 1.566 20 residues pruned to eliminate duplicates Z: 6 9.623 1.996 0.785 0.812 0.800 0.600 CA 1.150 6 residues pruned to eliminate duplicates Z: 20 16.406 1.958 0.646 0.436 0.947 0.684 CB 1.317 20 residues pruned to eliminate duplicates Z: 48 52.771 2.456 0.984 0.517 0.936 0.660 CB 1.659 48 residues pruned to eliminate duplicates Z: 19 25.661 2.092 0.749 0.773 0.889 0.722 CB 1.461 19 residues pruned to eliminate duplicates Z: 58 44.195 2.417 0.874 0.449 0.825 0.614 CB 1.652 58 residues pruned to eliminate duplicates Z: 7 9.326 1.932 0.148 0.886 1.000 1.000 CB 1.239 7 residues pruned to eliminate duplicates Z: 20 29.034 2.146 0.536 0.747 1.000 0.632 CB 1.620 20 residues pruned to eliminate duplicates Z: 45 41.063 2.269 0.845 0.528 0.886 0.659 CB 1.623 45 residues pruned to eliminate duplicates Z: 7 3.477 1.690 0.462 0.152 0.833 0.500 CB 1.058 Z: 30 36.696 2.291 1.098 0.427 0.931 0.586 CB 1.642 30 residues pruned to eliminate duplicates Z: 48 39.686 2.282 0.769 0.449 0.915 0.532 CB 1.652 48 residues pruned to eliminate duplicates Z: 28 39.566 2.395 0.925 0.573 0.889 0.593 CB 1.732 28 residues pruned to eliminate duplicates Z: 7 7.303 1.893 0.208 0.847 0.833 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 49 35.905 2.283 0.640 0.476 0.938 0.542 CB 1.513 49 residues pruned to eliminate duplicates Z: 8 8.533 1.630 0.153 0.886 1.000 0.857 CB 1.238 8 residues pruned to eliminate duplicates Z: 8 7.947 1.738 -0.018 0.856 1.000 0.714 CB 1.299 8 residues pruned to eliminate duplicates Z: 17 22.930 2.038 0.634 0.821 0.875 0.500 CB 1.489 17 residues pruned to eliminate duplicates Z: 65 44.650 2.265 0.751 0.500 0.906 0.562 CB 1.552 65 residues pruned to eliminate duplicates Z: 16 35.991 2.264 1.267 0.883 0.867 0.467 CB 1.511 16 residues pruned to eliminate duplicates Z: 17 26.955 2.146 0.846 0.906 0.938 0.625 CB 1.290 16 residues pruned to eliminate duplicates Z: 20 17.557 1.800 0.642 0.603 0.947 0.789 CB 1.304 29 residues pruned to eliminate duplicates Z: 12 24.608 2.261 1.304 0.404 1.000 0.636 CB 1.576 12 residues pruned to eliminate duplicates Z: 9 9.477 1.558 0.461 0.882 1.000 0.875 CB 1.066 Z: 34 28.718 2.157 0.865 0.445 0.879 0.515 CB 1.496 38 residues pruned to eliminate duplicates Z: 50 32.005 2.127 0.688 0.567 0.898 0.571 CB 1.329 50 residues pruned to eliminate duplicates Z: 16 18.922 2.095 0.405 0.922 0.933 0.933 CB 1.251 16 residues pruned to eliminate duplicates Z: 33 49.440 2.484 1.127 0.539 0.906 0.625 CB 1.757 33 residues pruned to eliminate duplicates Z: 28 17.917 1.991 0.605 0.516 0.778 0.593 CB 1.366 28 residues pruned to eliminate duplicates Z: 27 43.834 2.454 1.030 0.599 0.962 0.654 CB 1.634 27 residues pruned to eliminate duplicates Z: 10 8.559 1.518 0.446 0.875 1.000 0.778 CB 0.945 10 residues pruned to eliminate duplicates Z: 35 29.465 2.181 0.841 0.411 0.912 0.588 CB 1.516 35 residues pruned to eliminate duplicates Z: 13 9.385 1.560 0.225 0.817 0.917 0.417 CB 1.174 13 residues pruned to eliminate duplicates Z: 12 18.712 2.137 0.250 0.809 1.000 0.636 CA 1.613 12 residues pruned to eliminate duplicates Z: 7 8.836 1.924 0.384 0.851 0.833 0.833 CB 1.204 7 residues pruned to eliminate duplicates Z: 12 13.464 1.688 0.394 0.838 1.000 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 10 18.646 2.107 0.318 0.887 1.000 0.778 CB 1.614 10 residues pruned to eliminate duplicates Z: 16 20.493 2.008 1.021 0.510 0.933 0.467 CB 1.383 16 residues pruned to eliminate duplicates Z: 20 19.054 2.022 0.790 0.454 0.895 0.579 CB 1.414 20 residues pruned to eliminate duplicates Z: 7 7.870 1.837 0.295 0.846 0.833 0.833 CB 1.204 7 residues pruned to eliminate duplicates Z: 72 48.249 2.283 0.829 0.496 0.887 0.620 CB 1.552 72 residues pruned to eliminate duplicates Z: 11 10.378 1.716 0.340 0.882 0.900 0.900 CB 1.147 11 residues pruned to eliminate duplicates Z: 15 21.328 2.251 0.850 0.578 0.857 0.643 CB 1.482 15 residues pruned to eliminate duplicates Z: 23 20.173 1.928 0.487 0.646 0.864 0.636 CB 1.516 23 residues pruned to eliminate duplicates Z: 40 17.072 1.834 0.564 0.364 0.846 0.436 CB 1.303 40 residues pruned to eliminate duplicates Z: 22 28.321 2.118 0.943 0.385 0.952 0.619 CB 1.782 22 residues pruned to eliminate duplicates Z: 8 6.697 1.901 0.499 0.544 0.714 0.571 CB 1.192 8 residues pruned to eliminate duplicates Z: 13 8.300 1.562 0.321 0.788 0.833 0.667 CB 1.081 13 residues pruned to eliminate duplicates Z: 17 15.537 2.050 0.435 0.656 0.938 0.812 CB 1.218 17 residues pruned to eliminate duplicates Z: 13 19.472 1.916 0.519 0.727 1.000 0.833 CB 1.574 13 residues pruned to eliminate duplicates Z: 36 23.184 2.151 0.553 0.474 0.857 0.657 CB 1.404 36 residues pruned to eliminate duplicates Z: 21 21.062 2.087 0.349 0.722 0.950 0.650 CB 1.440 21 residues pruned to eliminate duplicates Z: 52 34.760 2.139 0.574 0.584 0.980 0.706 CB 1.361 52 residues pruned to eliminate duplicates Z: 15 27.994 2.214 0.557 0.813 1.000 0.643 CB 1.653 15 residues pruned to eliminate duplicates Z: 47 57.177 2.561 0.986 0.481 0.913 0.587 CB 1.852 47 residues pruned to eliminate duplicates Z: 18 5.824 1.423 0.520 0.334 0.882 0.471 CB 0.888 18 residues pruned to eliminate duplicates Z: 21 22.306 1.984 0.624 0.619 0.950 0.750 CB 1.456 21 residues pruned to eliminate duplicates Z: 8 9.600 1.849 0.350 0.882 0.857 0.714 CB 1.227 8 residues pruned to eliminate duplicates Z: 13 33.368 2.291 0.673 0.926 1.000 1.000 CA 1.762 13 residues pruned to eliminate duplicates Z: 20 46.246 2.391 1.240 0.736 0.947 0.737 CB 1.692 20 residues pruned to eliminate duplicates Z: 13 6.965 1.482 0.562 0.383 0.917 0.500 CB 1.073 13 residues pruned to eliminate duplicates Z: 13 28.523 2.219 0.608 0.874 1.000 0.750 CA 1.680 13 residues pruned to eliminate duplicates Z: 20 17.067 2.189 0.414 0.765 0.842 0.684 CB 1.188 20 residues pruned to eliminate duplicates Z: 17 32.128 2.240 0.825 0.881 0.938 0.438 CB 1.518 17 residues pruned to eliminate duplicates Z: 10 10.233 1.540 0.462 0.905 1.000 0.778 CB 1.079 9 residues pruned to eliminate duplicates Z: 81 73.250 2.443 1.016 0.498 0.925 0.675 CB 1.802 81 residues pruned to eliminate duplicates Z: 71 52.891 2.348 0.834 0.500 0.943 0.557 CB 1.556 71 residues pruned to eliminate duplicates Z: 16 38.145 2.269 1.090 0.898 1.000 0.800 CB 1.485 16 residues pruned to eliminate duplicates Z: 6 6.263 1.700 0.174 0.847 1.000 1.000 CB 1.042 6 residues pruned to eliminate duplicates Z: 12 26.710 2.223 0.947 0.829 0.909 0.727 CB 1.540 12 residues pruned to eliminate duplicates Z: 78 52.164 2.231 0.864 0.492 0.922 0.649 CB 1.563 78 residues pruned to eliminate duplicates Z: 6 3.039 1.563 0.295 0.594 0.800 0.800 CB 0.767 Z: 16 26.508 2.176 0.575 0.825 0.933 0.600 CB 1.615 16 residues pruned to eliminate duplicates 6 1.334 1.389 0.293 0.293 0.800 0.600 CB 0.524 ? Z: 12 11.229 1.578 0.697 0.881 0.909 0.636 CB 1.008 12 residues pruned to eliminate duplicates Z: 8 6.944 1.727 0.715 0.448 0.857 0.429 CB 1.090 8 residues pruned to eliminate duplicates Z: 37 36.975 2.440 0.760 0.402 0.917 0.611 CB 1.735 37 residues pruned to eliminate duplicates Z: 7 5.407 1.777 0.086 0.416 1.000 0.333 CB 1.249 Z: 15 21.726 2.076 0.966 0.698 0.929 0.500 CB 1.279 15 residues pruned to eliminate duplicates Z: 15 16.989 2.145 0.663 0.870 0.857 0.571 CB 1.084 15 residues pruned to eliminate duplicates Z: 20 21.897 2.032 0.318 0.791 1.000 0.737 CB 1.453 20 residues pruned to eliminate duplicates Z: 9 5.329 1.652 0.021 0.831 1.000 0.750 CB 0.840 9 residues pruned to eliminate duplicates Z: 8 5.953 1.485 0.412 0.640 0.857 0.429 CB 1.098 8 residues pruned to eliminate duplicates Z: 94 50.464 2.191 0.841 0.450 0.882 0.570 CB 1.550 94 residues pruned to eliminate duplicates Z: 28 50.880 2.471 1.203 0.681 0.926 0.667 CB 1.645 28 residues pruned to eliminate duplicates Z: 11 11.341 1.732 0.473 0.440 1.000 0.300 C 1.496 Z: 6 3.100 1.804 -0.149 0.786 0.800 0.600 CB 0.878 6 residues pruned to eliminate duplicates Z: 12 46.516 2.617 0.872 0.930 1.000 1.000 CB 2.001 12 residues pruned to eliminate duplicates Z: 91 70.140 2.433 0.991 0.500 0.911 0.678 CB 1.675 91 residues pruned to eliminate duplicates 6 1.740 1.328 0.093 0.367 0.800 0.400 CB 0.773 ? Z: 18 22.024 2.002 0.264 0.838 1.000 0.765 CB 1.577 18 residues pruned to eliminate duplicates Z: 9 9.783 1.545 0.418 0.858 1.000 0.625 CB 1.162 9 residues pruned to eliminate duplicates Z: 17 20.233 2.113 0.327 0.784 0.875 0.625 CB 1.606 17 residues pruned to eliminate duplicates Z: 12 38.320 2.443 0.802 0.896 1.000 0.909 CB 1.880 12 residues pruned to eliminate duplicates Z: 20 16.929 2.066 0.690 0.423 0.842 0.579 CB 1.432 20 residues pruned to eliminate duplicates Z: 71 40.167 2.197 0.671 0.493 0.886 0.571 CB 1.486 71 residues pruned to eliminate duplicates Z: 33 24.543 2.229 0.499 0.438 0.906 0.625 CB 1.527 33 residues pruned to eliminate duplicates Z: 18 12.738 1.741 0.462 0.602 0.824 0.647 CB 1.338 18 residues pruned to eliminate duplicates Z: 26 39.210 2.346 0.989 0.611 0.920 0.680 CB 1.643 32 residues pruned to eliminate duplicates Z: 12 10.044 1.650 0.345 0.595 0.909 0.727 CB 1.371 12 residues pruned to eliminate duplicates Z: 10 4.118 1.584 0.211 0.476 0.889 0.667 CB 0.824 6 residues pruned to eliminate duplicates Z: 32 37.499 2.342 0.920 0.566 0.935 0.677 CB 1.503 32 residues pruned to eliminate duplicates Z: 15 5.513 1.569 0.070 0.344 0.929 0.357 CB 1.121 15 residues pruned to eliminate duplicates Z: 99 76.192 2.498 0.920 0.494 0.908 0.582 CB 1.779 99 residues pruned to eliminate duplicates Z: 13 18.042 2.017 0.800 0.755 1.000 0.750 CB 1.143 13 residues pruned to eliminate duplicates Z: 45 53.399 2.424 0.790 0.602 0.932 0.659 CB 1.807 45 residues pruned to eliminate duplicates Z: 85 48.491 2.214 0.727 0.535 0.917 0.702 CB 1.458 85 residues pruned to eliminate duplicates Z: 37 21.379 2.126 0.430 0.452 0.861 0.583 CB 1.431 37 residues pruned to eliminate duplicates Z: 12 7.672 1.501 0.390 0.833 0.818 0.455 CB 1.017 12 residues pruned to eliminate duplicates Z: 18 25.275 2.057 0.333 0.859 1.000 0.647 CB 1.644 18 residues pruned to eliminate duplicates Z: 47 31.017 2.191 0.711 0.454 0.848 0.543 CB 1.509 47 residues pruned to eliminate duplicates Z: 12 11.951 1.675 0.193 0.872 1.000 0.818 CB 1.315 12 residues pruned to eliminate duplicates Z: 47 35.775 2.154 0.661 0.589 0.957 0.652 CB 1.415 47 residues pruned to eliminate duplicates Z: 16 22.967 2.168 0.746 0.514 0.867 0.600 CA 1.783 16 residues pruned to eliminate duplicates 7 1.946 1.421 0.500 0.106 0.667 0.333 CA 0.923 ? Z: 14 3.755 1.520 0.014 0.410 0.692 0.231 CB 1.073 Z: 8 6.698 1.861 0.124 0.453 0.857 0.571 CB 1.482 10 residues pruned to eliminate duplicates Z: 15 13.370 1.944 0.365 0.733 0.857 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 13 28.553 2.185 0.674 0.927 1.000 1.000 CA 1.579 13 residues pruned to eliminate duplicates Z: 45 35.708 2.291 0.791 0.476 0.841 0.636 CB 1.599 45 residues pruned to eliminate duplicates Z: 12 53.365 2.587 1.201 0.913 1.000 0.636 CB 2.000 12 residues pruned to eliminate duplicates Z: 10 6.769 1.647 0.538 0.558 0.667 0.556 CB 1.263 10 residues pruned to eliminate duplicates Z: 9 13.086 1.838 0.938 0.568 0.875 0.500 CA 1.390 9 residues pruned to eliminate duplicates Z: 6 3.425 1.428 0.574 0.588 0.800 0.400 CA 0.783 Z: 12 13.964 1.684 0.405 0.865 1.000 0.545 CB 1.304 12 residues pruned to eliminate duplicates Z: 9 2.056 1.581 0.150 0.159 0.625 0.375 CB 0.970 5 residues pruned to eliminate duplicates Z: 47 35.886 2.251 0.600 0.451 0.935 0.543 CB 1.653 47 residues pruned to eliminate duplicates Z: 30 26.462 2.179 0.679 0.427 0.931 0.690 CB 1.556 30 residues pruned to eliminate duplicates Z: 6 2.845 1.592 0.410 0.286 0.800 0.400 CA 0.902 Z: 13 16.925 1.757 0.496 0.821 0.917 0.583 N 1.535 13 residues pruned to eliminate duplicates Z: 66 54.331 2.320 1.051 0.449 0.877 0.585 CB 1.701 107 residues pruned to eliminate duplicates Z: 99 65.783 2.329 0.952 0.497 0.908 0.531 CB 1.615 105 residues pruned to eliminate duplicates Z: 101 74.876 2.463 0.891 0.507 0.890 0.530 CB 1.794 101 residues pruned to eliminate duplicates Z: 15 9.960 1.467 0.476 0.754 0.857 0.286 CA 1.144 15 residues pruned to eliminate duplicates Z: 75 51.697 2.233 0.899 0.583 0.932 0.635 CB 1.403 77 residues pruned to eliminate duplicates Z: 10 7.120 1.890 0.080 0.460 0.778 0.556 CB 1.556 10 residues pruned to eliminate duplicates Z: 34 29.775 2.239 0.602 0.464 0.909 0.636 CB 1.650 34 residues pruned to eliminate duplicates Z: 24 23.436 2.119 0.743 0.467 1.000 0.783 CB 1.367 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 36.864 2.371 0.904 0.896 1.000 0.600 CB 1.510 Z: 19 37.512 2.428 0.940 0.804 0.944 0.611 CB 1.525 15 residues pruned to eliminate duplicates Z: 16 37.353 2.289 1.196 0.884 0.933 0.600 CB 1.485 19 residues pruned to eliminate duplicates Z: 16 30.234 2.292 0.848 0.934 0.933 0.733 CB 1.377 16 residues pruned to eliminate duplicates Z: 29 58.165 2.520 1.207 0.672 0.964 0.643 CB 1.748 17 residues pruned to eliminate duplicates Z: 19 30.618 2.422 0.833 0.788 0.833 0.556 CB 1.514 19 residues pruned to eliminate duplicates Z: 28 51.865 2.560 1.068 0.680 0.926 0.630 CB 1.725 28 residues pruned to eliminate duplicates Z: 27 56.519 2.582 1.236 0.692 0.923 0.615 CB 1.745 27 residues pruned to eliminate duplicates Z: 29 55.574 2.484 1.180 0.681 0.929 0.607 CB 1.768 29 residues pruned to eliminate duplicates Z: 27 59.378 2.574 1.207 0.686 1.000 0.654 CB 1.729 27 residues pruned to eliminate duplicates Z: 28 55.794 2.557 1.091 0.693 0.963 0.593 CB 1.748 28 residues pruned to eliminate duplicates Z: 29 53.627 2.487 1.127 0.669 0.929 0.607 CB 1.766 29 residues pruned to eliminate duplicates Z: 28 52.915 2.536 1.024 0.693 0.963 0.630 CB 1.727 28 residues pruned to eliminate duplicates Z: 28 61.765 2.556 1.278 0.694 0.963 0.519 CB 1.776 29 residues pruned to eliminate duplicates Z: 18 23.722 1.932 0.890 0.712 0.882 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 28 56.123 2.550 1.176 0.687 0.926 0.667 CB 1.770 28 residues pruned to eliminate duplicates Z: 29 52.985 2.471 1.258 0.660 0.893 0.571 CB 1.733 29 residues pruned to eliminate duplicates Z: 8 15.600 2.062 1.034 0.572 0.857 0.571 CA 1.529 8 residues pruned to eliminate duplicates Z: 31 50.300 2.398 1.292 0.643 0.933 0.567 CB 1.567 31 residues pruned to eliminate duplicates Z: 27 57.685 2.555 1.322 0.688 0.923 0.500 CB 1.738 27 residues pruned to eliminate duplicates Z: 28 59.026 2.550 1.336 0.695 0.926 0.519 CB 1.723 28 residues pruned to eliminate duplicates Z: 32 47.606 2.363 1.167 0.634 0.935 0.645 CB 1.574 32 residues pruned to eliminate duplicates Z: 29 54.700 2.463 1.154 0.670 0.964 0.607 CB 1.728 29 residues pruned to eliminate duplicates Z: 17 31.749 2.335 1.105 0.419 0.938 0.625 CA 1.874 17 residues pruned to eliminate duplicates Z: 32 52.008 2.383 1.223 0.637 0.968 0.581 CB 1.603 32 residues pruned to eliminate duplicates Z: 31 54.394 2.404 1.312 0.657 0.967 0.633 CB 1.598 31 residues pruned to eliminate duplicates Z: 28 58.530 2.524 1.264 0.690 0.963 0.704 CB 1.721 27 residues pruned to eliminate duplicates Z: 6 6.496 1.857 0.024 0.792 1.000 0.800 CB 1.182 6 residues pruned to eliminate duplicates Z: 21 23.247 2.140 0.434 0.735 0.850 0.450 CB 1.613 21 residues pruned to eliminate duplicates Z: 19 14.002 2.109 0.188 0.526 0.833 0.500 CB 1.540 19 residues pruned to eliminate duplicates Z: 21 25.121 2.157 0.535 0.707 0.850 0.500 CB 1.653 21 residues pruned to eliminate duplicates Z: 20 27.949 2.203 0.440 0.739 0.947 0.579 CB 1.722 20 residues pruned to eliminate duplicates Z: 22 24.733 2.083 0.491 0.680 0.905 0.667 CB 1.627 22 residues pruned to eliminate duplicates Z: 20 29.040 2.155 0.611 0.739 0.895 0.579 CB 1.731 20 residues pruned to eliminate duplicates Z: 23 18.617 1.972 0.447 0.573 0.864 0.545 CB 1.500 23 residues pruned to eliminate duplicates Z: 22 22.135 2.077 0.475 0.644 0.857 0.524 CB 1.608 22 residues pruned to eliminate duplicates Z: 20 31.135 2.221 0.477 0.759 1.000 0.474 CB 1.729 20 residues pruned to eliminate duplicates Z: 19 26.472 2.180 0.587 0.701 0.889 0.556 CA 1.690 19 residues pruned to eliminate duplicates Z: 20 31.483 2.210 0.553 0.725 1.000 0.684 CB 1.718 21 residues pruned to eliminate duplicates Z: 18 24.507 2.093 0.341 0.827 1.000 0.765 CB 1.596 18 residues pruned to eliminate duplicates Z: 29 31.137 2.172 0.693 0.611 0.964 0.536 CB 1.494 29 residues pruned to eliminate duplicates Z: 20 27.417 2.163 0.521 0.760 1.000 0.632 CB 1.517 20 residues pruned to eliminate duplicates Z: 21 27.174 2.098 0.585 0.705 0.950 0.650 CB 1.597 21 residues pruned to eliminate duplicates Z: 24 25.000 2.038 0.625 0.676 0.913 0.609 CB 1.466 24 residues pruned to eliminate duplicates Z: 28 25.876 2.128 0.592 0.628 0.852 0.741 CB 1.530 28 residues pruned to eliminate duplicates Z: 28 23.825 2.122 0.530 0.613 0.889 0.667 CB 1.427 28 residues pruned to eliminate duplicates Z: 8 9.073 1.476 0.930 0.517 1.000 0.571 CA 1.184 8 residues pruned to eliminate duplicates Z: 28 24.867 2.146 0.556 0.594 0.889 0.556 CB 1.474 28 residues pruned to eliminate duplicates Z: 27 27.254 2.147 0.601 0.652 0.885 0.692 CB 1.526 27 residues pruned to eliminate duplicates Z: 8 6.405 2.016 0.398 0.448 0.714 0.571 CB 1.268 8 residues pruned to eliminate duplicates Z: 27 19.154 2.064 0.614 0.543 0.808 0.577 CB 1.339 27 residues pruned to eliminate duplicates Z: 22 16.207 1.783 0.588 0.575 0.905 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 27 12.058 1.669 0.305 0.560 0.962 0.577 CB 1.066 27 residues pruned to eliminate duplicates Z: 38 23.048 2.017 0.440 0.555 0.865 0.622 CB 1.430 38 residues pruned to eliminate duplicates Z: 22 11.983 1.739 0.290 0.552 0.905 0.810 CB 1.225 22 residues pruned to eliminate duplicates Z: 7 9.305 1.864 0.131 0.696 1.000 0.833 CA 1.506 7 residues pruned to eliminate duplicates Z: 18 8.195 1.891 0.362 0.396 0.706 0.588 CB 1.220 18 residues pruned to eliminate duplicates Z: 29 15.376 1.809 0.518 0.504 0.857 0.643 CB 1.229 29 residues pruned to eliminate duplicates Z: 8 6.732 1.704 0.306 0.634 0.857 0.571 CB 1.177 8 residues pruned to eliminate duplicates Z: 24 11.348 1.676 0.325 0.581 0.913 0.522 CB 1.079 24 residues pruned to eliminate duplicates Z: 21 11.542 1.679 0.400 0.591 0.850 0.600 CB 1.183 21 residues pruned to eliminate duplicates Z: 11 8.029 1.668 0.470 0.570 0.800 0.400 CB 1.209 11 residues pruned to eliminate duplicates Z: 19 9.520 1.642 0.341 0.559 0.778 0.667 CB 1.237 19 residues pruned to eliminate duplicates Z: 10 6.402 1.589 0.732 0.562 0.556 0.556 CB 1.315 10 residues pruned to eliminate duplicates Z: 14 11.753 1.684 0.701 0.513 1.000 0.923 CB 1.124 14 residues pruned to eliminate duplicates Z: 10 8.418 1.643 0.587 0.550 0.778 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 50 25.265 1.957 0.548 0.541 0.816 0.612 CB 1.403 50 residues pruned to eliminate duplicates Z: 6 3.237 1.633 0.359 0.431 0.800 0.400 CB 0.875 6 residues pruned to eliminate duplicates Z: 21 14.256 1.944 0.680 0.339 1.000 0.450 CB 1.163 21 residues pruned to eliminate duplicates Z: 86 53.095 2.263 0.846 0.458 0.929 0.518 CB 1.548 86 residues pruned to eliminate duplicates Z: 15 3.892 1.552 0.355 0.258 0.786 0.500 CB 0.830 15 residues pruned to eliminate duplicates Z: 24 15.954 1.938 0.888 0.369 0.870 0.609 CB 1.203 24 residues pruned to eliminate duplicates Z: 25 18.279 1.920 0.920 0.364 0.875 0.542 CB 1.339 25 residues pruned to eliminate duplicates Z: 43 37.598 2.105 0.955 0.450 0.929 0.548 CB 1.598 43 residues pruned to eliminate duplicates Z: 37 39.526 2.208 0.977 0.508 0.944 0.556 CB 1.585 37 residues pruned to eliminate duplicates Z: 42 34.894 2.135 0.944 0.444 0.878 0.634 CB 1.584 42 residues pruned to eliminate duplicates Z: 49 36.767 2.082 0.904 0.452 0.917 0.604 CB 1.533 49 residues pruned to eliminate duplicates Z: 72 60.858 2.325 1.016 0.519 0.930 0.690 CB 1.628 72 residues pruned to eliminate duplicates Z: 108 53.408 2.139 0.838 0.453 0.935 0.579 CB 1.475 108 residues pruned to eliminate duplicates Z: 84 53.669 2.149 0.883 0.528 0.928 0.627 CB 1.526 84 residues pruned to eliminate duplicates Z: 112 59.122 2.272 0.863 0.456 0.892 0.595 CB 1.556 112 residues pruned to eliminate duplicates Z: 69 48.885 2.236 0.904 0.502 0.897 0.618 CB 1.549 69 residues pruned to eliminate duplicates Z: 24 15.401 1.962 0.655 0.348 0.913 0.435 CB 1.278 24 residues pruned to eliminate duplicates Z: 45 35.840 2.094 0.977 0.438 0.909 0.568 CB 1.531 45 residues pruned to eliminate duplicates Z: 99 45.355 2.141 0.819 0.429 0.888 0.571 CB 1.426 99 residues pruned to eliminate duplicates Z: 41 36.905 2.156 1.029 0.465 0.875 0.650 CB 1.579 41 residues pruned to eliminate duplicates Z: 27 43.775 2.280 1.221 0.544 0.923 0.538 CB 1.758 27 residues pruned to eliminate duplicates Z: 73 53.442 2.320 0.904 0.471 0.889 0.583 CB 1.652 73 residues pruned to eliminate duplicates Z: 114 64.102 2.268 0.916 0.483 0.912 0.531 CB 1.549 114 residues pruned to eliminate duplicates Z: 38 39.872 2.180 1.055 0.530 0.892 0.568 CB 1.593 38 residues pruned to eliminate duplicates Z: 60 57.080 2.309 1.004 0.563 0.949 0.610 CB 1.593 60 residues pruned to eliminate duplicates Z: 92 48.667 2.194 0.806 0.450 0.912 0.593 CB 1.486 92 residues pruned to eliminate duplicates Z: 114 60.492 2.266 0.871 0.473 0.903 0.575 CB 1.527 114 residues pruned to eliminate duplicates Z: 70 55.227 2.322 0.856 0.483 0.957 0.536 CB 1.640 70 residues pruned to eliminate duplicates Z: 37 42.355 2.205 1.075 0.499 0.944 0.639 CB 1.635 37 residues pruned to eliminate duplicates Z: 57 57.566 2.360 0.995 0.543 0.929 0.643 CB 1.687 57 residues pruned to eliminate duplicates Z: 109 64.725 2.293 0.916 0.483 0.907 0.611 CB 1.589 109 residues pruned to eliminate duplicates Z: 27 34.000 2.190 0.921 0.472 0.962 0.500 CB 1.696 27 residues pruned to eliminate duplicates Z: 38 40.650 2.199 1.014 0.495 0.946 0.703 CB 1.604 38 residues pruned to eliminate duplicates Z: 86 51.347 2.257 0.822 0.461 0.906 0.541 CB 1.557 86 residues pruned to eliminate duplicates Z: 43 34.137 2.054 0.955 0.447 0.905 0.548 CB 1.531 43 residues pruned to eliminate duplicates Z: 71 50.106 2.309 0.858 0.479 0.871 0.629 CB 1.637 71 residues pruned to eliminate duplicates Z: 89 53.390 2.238 0.809 0.457 0.932 0.568 CB 1.576 89 residues pruned to eliminate duplicates Z: 81 55.214 2.250 0.906 0.485 0.925 0.613 CB 1.581 81 residues pruned to eliminate duplicates Z: 89 53.146 2.241 0.867 0.449 0.909 0.534 CB 1.570 89 residues pruned to eliminate duplicates Z: 87 53.374 2.216 0.845 0.482 0.919 0.651 CB 1.561 87 residues pruned to eliminate duplicates Z: 60 46.823 2.281 0.807 0.536 0.898 0.644 CB 1.589 60 residues pruned to eliminate duplicates Z: 52 35.939 2.234 0.754 0.452 0.922 0.510 CB 1.464 52 residues pruned to eliminate duplicates Z: 76 50.360 2.169 0.960 0.483 0.920 0.573 CB 1.513 76 residues pruned to eliminate duplicates Z: 89 52.664 2.233 0.804 0.459 0.932 0.557 CB 1.559 89 residues pruned to eliminate duplicates Z: 64 46.741 2.298 0.846 0.487 0.921 0.603 CB 1.527 64 residues pruned to eliminate duplicates Z: 48 48.281 2.303 0.977 0.520 0.936 0.574 CB 1.619 48 residues pruned to eliminate duplicates Z: 120 62.530 2.246 0.857 0.481 0.899 0.588 CB 1.559 120 residues pruned to eliminate duplicates Z: 68 45.492 2.293 0.754 0.463 0.910 0.507 CB 1.576 68 residues pruned to eliminate duplicates Z: 76 50.895 2.306 0.869 0.483 0.907 0.613 CB 1.531 76 residues pruned to eliminate duplicates Z: 72 49.512 2.345 0.872 0.496 0.887 0.577 CB 1.514 72 residues pruned to eliminate duplicates Z: 95 60.340 2.329 0.840 0.497 0.904 0.638 CB 1.611 95 residues pruned to eliminate duplicates Z: 44 37.350 2.341 0.700 0.493 0.930 0.674 CB 1.550 44 residues pruned to eliminate duplicates Z: 63 44.564 2.240 0.831 0.504 0.903 0.597 CB 1.522 63 residues pruned to eliminate duplicates Z: 100 67.740 2.345 0.958 0.507 0.909 0.626 CB 1.620 100 residues pruned to eliminate duplicates Z: 101 49.544 2.115 0.715 0.471 0.960 0.630 CB 1.466 101 residues pruned to eliminate duplicates Z: 41 22.507 2.141 0.652 0.350 0.925 0.525 CB 1.279 41 residues pruned to eliminate duplicates Z: 45 37.743 2.277 0.767 0.514 0.932 0.636 CB 1.497 45 residues pruned to eliminate duplicates Z: 34 26.932 2.237 0.609 0.446 0.939 0.606 CB 1.465 34 residues pruned to eliminate duplicates Z: 29 34.633 2.343 0.808 0.578 0.964 0.643 CB 1.486 29 residues pruned to eliminate duplicates Z: 108 56.552 2.239 0.774 0.457 0.925 0.607 CB 1.554 108 residues pruned to eliminate duplicates Z: 34 18.185 2.140 0.421 0.347 0.879 0.455 CB 1.399 34 residues pruned to eliminate duplicates Z: 69 45.175 2.256 0.842 0.454 0.824 0.559 CB 1.679 69 residues pruned to eliminate duplicates Z: 88 53.908 2.249 0.875 0.464 0.920 0.598 CB 1.546 88 residues pruned to eliminate duplicates Z: 52 36.353 2.237 0.818 0.442 0.902 0.529 CB 1.473 52 residues pruned to eliminate duplicates Z: 35 29.079 2.249 0.636 0.466 0.882 0.529 CB 1.590 35 residues pruned to eliminate duplicates Z: 33 25.873 2.181 0.646 0.505 0.875 0.500 CB 1.449 33 residues pruned to eliminate duplicates Z: 90 46.754 2.167 0.788 0.450 0.910 0.573 CB 1.479 90 residues pruned to eliminate duplicates Z: 70 47.365 2.276 0.791 0.480 0.913 0.580 CB 1.563 70 residues pruned to eliminate duplicates Z: 50 29.979 2.174 0.771 0.428 0.857 0.408 CB 1.399 50 residues pruned to eliminate duplicates Z: 23 13.779 2.090 0.665 0.290 0.773 0.500 CB 1.383 23 residues pruned to eliminate duplicates Z: 17 18.230 2.163 0.714 0.413 0.875 0.688 CB 1.538 17 residues pruned to eliminate duplicates Z: 18 14.475 2.050 0.630 0.375 0.882 0.647 CB 1.360 18 residues pruned to eliminate duplicates Z: 108 62.743 2.270 0.895 0.488 0.907 0.570 CB 1.574 108 residues pruned to eliminate duplicates Z: 53 37.511 2.230 0.797 0.459 0.904 0.615 CB 1.498 53 residues pruned to eliminate duplicates Z: 79 56.603 2.296 0.944 0.478 0.936 0.667 CB 1.570 79 residues pruned to eliminate duplicates Z: 25 16.902 2.070 0.655 0.322 0.875 0.625 CB 1.400 25 residues pruned to eliminate duplicates Z: 35 24.353 2.251 0.536 0.404 0.941 0.529 CB 1.420 35 residues pruned to eliminate duplicates Z: 49 33.586 2.131 0.960 0.376 0.896 0.500 CB 1.479 49 residues pruned to eliminate duplicates Z: 80 52.926 2.265 0.916 0.476 0.924 0.620 CB 1.521 80 residues pruned to eliminate duplicates Z: 54 34.518 2.185 0.898 0.442 0.868 0.566 CB 1.397 54 residues pruned to eliminate duplicates Z: 23 15.975 2.100 0.665 0.343 0.864 0.545 CB 1.338 23 residues pruned to eliminate duplicates Z: 22 16.190 2.005 0.830 0.275 0.857 0.571 CB 1.450 22 residues pruned to eliminate duplicates Z: 8 9.665 2.060 0.859 0.239 0.857 0.429 CB 1.506 8 residues pruned to eliminate duplicates Z: 44 33.341 2.222 0.934 0.395 0.837 0.581 CB 1.580 44 residues pruned to eliminate duplicates Z: 88 45.032 2.184 0.871 0.420 0.862 0.632 CB 1.490 88 residues pruned to eliminate duplicates Z: 8 6.346 2.114 0.880 0.078 0.714 0.429 CB 1.461 8 residues pruned to eliminate duplicates Z: 33 27.637 2.284 0.964 0.438 0.844 0.594 CB 1.377 33 residues pruned to eliminate duplicates Z: 98 64.401 2.296 1.015 0.468 0.928 0.670 CB 1.573 98 residues pruned to eliminate duplicates Z: 30 26.251 2.215 0.847 0.459 0.828 0.517 CB 1.502 30 residues pruned to eliminate duplicates Z: 27 38.094 2.364 0.959 0.571 0.923 0.692 CB 1.631 27 residues pruned to eliminate duplicates Z: 28 35.209 2.367 0.885 0.529 0.889 0.667 CB 1.661 28 residues pruned to eliminate duplicates Z: 26 39.716 2.434 1.092 0.583 0.880 0.760 CB 1.636 26 residues pruned to eliminate duplicates Z: 25 41.537 2.475 1.097 0.604 0.875 0.667 CB 1.691 25 residues pruned to eliminate duplicates Z: 28 27.490 2.241 0.876 0.506 0.852 0.556 CB 1.468 28 residues pruned to eliminate duplicates Z: 25 40.447 2.471 0.974 0.584 0.875 0.708 CB 1.785 25 residues pruned to eliminate duplicates Z: 27 34.589 2.385 0.926 0.591 0.885 0.615 CB 1.530 27 residues pruned to eliminate duplicates Z: 36 36.123 2.264 1.006 0.476 0.857 0.600 CB 1.607 36 residues pruned to eliminate duplicates Z: 25 42.853 2.464 1.187 0.640 0.917 0.625 CB 1.553 25 residues pruned to eliminate duplicates Z: 29 33.687 2.333 1.038 0.521 0.821 0.571 CB 1.597 29 residues pruned to eliminate duplicates Z: 26 37.620 2.418 1.035 0.579 0.880 0.720 CB 1.610 26 residues pruned to eliminate duplicates Z: 28 38.493 2.405 1.007 0.556 0.926 0.630 CB 1.570 28 residues pruned to eliminate duplicates Z: 14 14.042 2.192 0.734 0.356 0.846 0.692 CB 1.414 14 residues pruned to eliminate duplicates Z: 80 62.296 2.326 1.007 0.519 0.911 0.582 CB 1.617 80 residues pruned to eliminate duplicates Z: 33 25.292 2.247 0.800 0.399 0.781 0.469 CB 1.574 33 residues pruned to eliminate duplicates Z: 28 43.292 2.305 1.183 0.566 0.889 0.556 CB 1.747 28 residues pruned to eliminate duplicates Z: 26 39.546 2.442 0.969 0.608 0.920 0.680 CB 1.613 26 residues pruned to eliminate duplicates Z: 61 35.585 2.170 0.659 0.511 0.933 0.650 CB 1.353 61 residues pruned to eliminate duplicates Z: 75 47.667 2.232 0.780 0.544 0.932 0.703 CB 1.433 75 residues pruned to eliminate duplicates Z: 75 49.647 2.243 0.804 0.549 0.919 0.716 CB 1.480 75 residues pruned to eliminate duplicates Z: 53 29.674 2.108 0.511 0.554 0.904 0.731 CB 1.357 53 residues pruned to eliminate duplicates Z: 14 8.751 1.903 0.062 0.505 0.923 0.538 CB 1.294 14 residues pruned to eliminate duplicates Z: 51 34.982 2.133 0.648 0.583 0.940 0.680 CB 1.383 51 residues pruned to eliminate duplicates Z: 15 8.419 1.798 0.043 0.483 0.929 0.357 CB 1.315 15 residues pruned to eliminate duplicates Z: 13 9.188 1.882 0.158 0.546 0.917 0.583 CB 1.269 13 residues pruned to eliminate duplicates Z: 51 34.750 2.154 0.589 0.583 0.940 0.660 CB 1.411 51 residues pruned to eliminate duplicates Z: 16 11.725 1.825 0.319 0.464 0.933 0.467 CB 1.398 16 residues pruned to eliminate duplicates Z: 75 46.876 2.235 0.777 0.558 0.932 0.716 CB 1.391 75 residues pruned to eliminate duplicates Z: 16 9.274 1.769 0.140 0.448 0.933 0.667 CB 1.343 16 residues pruned to eliminate duplicates Z: 14 11.370 1.898 0.271 0.525 0.923 0.692 CB 1.382 14 residues pruned to eliminate duplicates Z: 54 34.124 2.109 0.621 0.574 0.943 0.736 CB 1.353 54 residues pruned to eliminate duplicates Z: 21 11.396 1.766 0.327 0.524 0.900 0.550 CB 1.180 21 residues pruned to eliminate duplicates Z: 54 34.477 2.117 0.542 0.562 0.981 0.792 CB 1.392 54 residues pruned to eliminate duplicates Z: 52 35.239 2.151 0.609 0.596 0.941 0.745 CB 1.381 52 residues pruned to eliminate duplicates Z: 47 35.839 2.154 0.577 0.611 0.957 0.696 CB 1.464 47 residues pruned to eliminate duplicates Z: 36 34.525 2.254 0.716 0.588 0.943 0.743 CB 1.470 36 residues pruned to eliminate duplicates Z: 40 30.700 2.164 0.724 0.583 0.897 0.692 CB 1.356 40 residues pruned to eliminate duplicates Z: 51 30.502 2.148 0.504 0.522 0.940 0.640 CB 1.390 51 residues pruned to eliminate duplicates Z: 52 25.736 2.138 0.416 0.477 0.902 0.627 CB 1.351 52 residues pruned to eliminate duplicates Z: 51 34.859 2.143 0.621 0.558 0.940 0.740 CB 1.427 51 residues pruned to eliminate duplicates Z: 38 37.665 2.234 0.820 0.607 0.973 0.622 CB 1.414 38 residues pruned to eliminate duplicates Z: 16 21.308 2.074 0.661 0.898 0.933 0.667 CB 1.224 16 residues pruned to eliminate duplicates Z: 38 31.029 2.188 0.749 0.556 0.919 0.541 CB 1.373 38 residues pruned to eliminate duplicates Z: 40 34.077 2.167 0.862 0.536 0.949 0.590 CB 1.375 38 residues pruned to eliminate duplicates Z: 15 24.749 2.173 0.813 0.931 0.929 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 40 33.004 2.182 0.734 0.566 0.974 0.538 CB 1.345 40 residues pruned to eliminate duplicates Z: 51 32.301 2.143 0.686 0.530 0.920 0.580 CB 1.334 51 residues pruned to eliminate duplicates Z: 75 50.922 2.234 0.876 0.545 0.932 0.608 CB 1.450 75 residues pruned to eliminate duplicates Z: 50 32.534 2.135 0.650 0.539 0.939 0.673 CB 1.352 50 residues pruned to eliminate duplicates Z: 49 32.140 2.178 0.645 0.523 0.917 0.625 CB 1.381 49 residues pruned to eliminate duplicates Z: 49 35.056 2.171 0.695 0.535 0.958 0.583 CB 1.386 49 residues pruned to eliminate duplicates Z: 51 31.986 2.139 0.631 0.510 0.940 0.560 CB 1.366 51 residues pruned to eliminate duplicates Z: 48 31.241 2.169 0.639 0.518 0.936 0.681 CB 1.345 48 residues pruned to eliminate duplicates Z: 39 35.339 2.204 0.866 0.564 0.947 0.658 CB 1.384 39 residues pruned to eliminate duplicates Z: 35 37.579 2.277 0.813 0.624 0.971 0.647 CB 1.430 35 residues pruned to eliminate duplicates Z: 22 19.865 2.216 0.851 0.377 0.857 0.571 CB 1.406 22 residues pruned to eliminate duplicates Z: 37 36.406 2.261 0.861 0.589 0.944 0.639 CB 1.403 37 residues pruned to eliminate duplicates Z: 37 35.912 2.235 0.939 0.579 0.944 0.611 CB 1.355 37 residues pruned to eliminate duplicates Z: 55 34.958 2.083 0.736 0.507 0.926 0.574 CB 1.411 55 residues pruned to eliminate duplicates Z: 49 35.262 2.150 0.728 0.561 0.958 0.583 CB 1.348 49 residues pruned to eliminate duplicates Z: 37 37.654 2.224 0.931 0.578 0.944 0.583 CB 1.434 37 residues pruned to eliminate duplicates Z: 49 33.158 2.156 0.669 0.521 0.958 0.812 CB 1.359 49 residues pruned to eliminate duplicates Z: 50 35.477 2.146 0.677 0.566 0.980 0.714 CB 1.348 50 residues pruned to eliminate duplicates Z: 37 34.974 2.258 0.826 0.583 0.944 0.694 CB 1.382 37 residues pruned to eliminate duplicates Z: 37 34.272 2.243 0.794 0.599 0.944 0.667 CB 1.367 37 residues pruned to eliminate duplicates Z: 36 39.750 2.258 0.889 0.612 1.000 0.771 CB 1.417 36 residues pruned to eliminate duplicates Z: 35 40.785 2.249 1.004 0.635 0.971 0.588 CB 1.408 35 residues pruned to eliminate duplicates Z: 37 36.828 2.243 0.906 0.605 0.972 0.667 CB 1.336 37 residues pruned to eliminate duplicates Z: 21 31.757 2.250 1.186 0.513 0.950 0.750 CB 1.500 23 residues pruned to eliminate duplicates Z: 19 21.620 2.140 0.341 0.862 0.944 0.722 CB 1.380 19 residues pruned to eliminate duplicates Z: 14 22.816 2.394 0.274 0.863 1.000 0.692 CB 1.523 14 residues pruned to eliminate duplicates Z: 18 31.479 2.352 0.637 0.745 0.941 0.647 CB 1.692 18 residues pruned to eliminate duplicates Z: 17 24.673 2.224 0.497 0.829 1.000 0.562 CB 1.394 17 residues pruned to eliminate duplicates Z: 24 21.497 2.092 0.440 0.641 0.913 0.565 CB 1.427 24 residues pruned to eliminate duplicates Z: 22 23.637 2.156 0.588 0.639 0.857 0.524 CB 1.544 22 residues pruned to eliminate duplicates Z: 22 24.129 2.148 0.520 0.721 0.857 0.667 CB 1.541 22 residues pruned to eliminate duplicates Z: 48 36.276 2.211 0.622 0.586 0.872 0.660 CB 1.557 48 residues pruned to eliminate duplicates Z: 28 26.692 2.266 0.554 0.564 0.889 0.593 CB 1.543 28 residues pruned to eliminate duplicates Z: 23 28.016 2.115 0.704 0.700 0.955 0.636 CB 1.446 23 residues pruned to eliminate duplicates Z: 21 28.533 2.188 0.526 0.775 1.000 0.700 CB 1.498 21 residues pruned to eliminate duplicates Z: 52 35.293 2.130 0.573 0.604 0.902 0.549 CB 1.481 51 residues pruned to eliminate duplicates Z: 17 21.517 2.066 0.497 0.793 1.000 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 22 21.582 2.163 0.401 0.723 0.905 0.619 CB 1.404 22 residues pruned to eliminate duplicates Z: 25 29.823 2.216 0.605 0.653 0.917 0.542 CB 1.620 28 residues pruned to eliminate duplicates Z: 14 11.754 2.045 0.304 0.612 0.692 0.538 CB 1.588 14 residues pruned to eliminate duplicates Z: 51 34.234 2.167 0.580 0.578 0.880 0.560 CB 1.490 51 residues pruned to eliminate duplicates Z: 20 23.590 2.049 0.576 0.625 0.947 0.684 CB 1.573 20 residues pruned to eliminate duplicates Z: 35 21.714 1.990 0.778 0.439 0.794 0.588 CB 1.412 35 residues pruned to eliminate duplicates Z: 37 22.165 1.943 0.572 0.534 0.833 0.639 CB 1.404 37 residues pruned to eliminate duplicates Z: 61 32.796 2.011 0.614 0.582 0.900 0.683 CB 1.340 61 residues pruned to eliminate duplicates Z: 30 25.843 1.884 0.661 0.659 0.966 0.759 CB 1.370 30 residues pruned to eliminate duplicates Z: 40 26.888 1.970 0.694 0.548 0.897 0.692 CB 1.372 40 residues pruned to eliminate duplicates Z: 31 24.401 2.042 0.892 0.481 0.833 0.567 CB 1.410 31 residues pruned to eliminate duplicates Z: 39 28.746 1.898 0.910 0.602 0.868 0.711 CB 1.344 39 residues pruned to eliminate duplicates Z: 28 24.581 1.947 0.571 0.633 0.963 0.704 CB 1.418 28 residues pruned to eliminate duplicates Z: 13 20.674 2.023 0.600 0.733 1.000 0.583 CB 1.496 13 residues pruned to eliminate duplicates Z: 136 79.601 2.416 0.871 0.481 0.911 0.563 CB 1.696 136 residues pruned to eliminate duplicates Z: 90 44.069 2.190 0.583 0.489 0.899 0.573 CB 1.515 90 residues pruned to eliminate duplicates Z: 136 79.803 2.407 0.916 0.482 0.889 0.563 CB 1.706 136 residues pruned to eliminate duplicates Z: 49 38.785 2.271 0.704 0.437 0.958 0.521 CB 1.611 49 residues pruned to eliminate duplicates Z: 88 65.044 2.456 0.802 0.460 0.920 0.586 CB 1.785 88 residues pruned to eliminate duplicates Z: 50 36.439 2.240 0.762 0.426 0.918 0.612 CB 1.551 50 residues pruned to eliminate duplicates Z: 45 37.509 2.332 0.603 0.448 0.932 0.614 CB 1.713 45 residues pruned to eliminate duplicates Z: 115 73.582 2.454 0.816 0.473 0.912 0.526 CB 1.743 115 residues pruned to eliminate duplicates Z: 12 15.421 2.108 0.619 0.514 0.909 0.545 CB 1.478 12 residues pruned to eliminate duplicates Z: 114 71.642 2.444 0.862 0.473 0.885 0.522 CB 1.720 114 residues pruned to eliminate duplicates Z: 47 37.900 2.268 0.814 0.465 0.870 0.609 CB 1.618 47 residues pruned to eliminate duplicates Z: 19 12.203 2.060 0.439 0.357 0.889 0.500 CB 1.274 19 residues pruned to eliminate duplicates Z: 47 41.665 2.333 0.736 0.460 0.935 0.565 CB 1.690 47 residues pruned to eliminate duplicates Z: 26 24.254 2.261 0.734 0.359 0.920 0.480 CB 1.565 26 residues pruned to eliminate duplicates Z: 64 39.461 2.173 0.650 0.449 0.952 0.540 CB 1.535 64 residues pruned to eliminate duplicates Z: 70 38.451 2.155 0.666 0.477 0.884 0.536 CB 1.492 70 residues pruned to eliminate duplicates Z: 30 17.105 2.093 0.580 0.360 0.828 0.552 CB 1.350 30 residues pruned to eliminate duplicates Z: 62 48.596 2.205 0.855 0.482 0.934 0.590 CB 1.658 62 residues pruned to eliminate duplicates Z: 115 77.339 2.440 0.960 0.477 0.895 0.605 CB 1.733 115 residues pruned to eliminate duplicates Z: 46 40.634 2.309 0.722 0.457 0.978 0.511 CB 1.628 46 residues pruned to eliminate duplicates Z: 48 44.871 2.297 0.880 0.448 0.936 0.574 CB 1.708 48 residues pruned to eliminate duplicates Z: 32 27.846 2.216 0.711 0.424 0.839 0.452 CB 1.702 32 residues pruned to eliminate duplicates Z: 114 81.493 2.479 0.955 0.500 0.894 0.655 CB 1.769 114 residues pruned to eliminate duplicates Z: 27 27.519 2.210 0.856 0.365 0.962 0.577 CB 1.581 27 residues pruned to eliminate duplicates Z: 44 43.796 2.371 0.758 0.484 0.953 0.558 CB 1.708 44 residues pruned to eliminate duplicates Z: 74 69.009 2.531 1.002 0.463 0.904 0.616 CB 1.830 74 residues pruned to eliminate duplicates Z: 93 66.210 2.434 0.846 0.447 0.935 0.543 CB 1.735 93 residues pruned to eliminate duplicates Z: 41 51.896 2.405 0.958 0.517 1.000 0.600 CB 1.714 41 residues pruned to eliminate duplicates Z: 88 71.134 2.476 0.949 0.468 0.920 0.529 CB 1.776 88 residues pruned to eliminate duplicates Z: 137 76.279 2.383 0.917 0.462 0.897 0.559 CB 1.659 137 residues pruned to eliminate duplicates Z: 90 68.196 2.464 0.912 0.460 0.899 0.618 CB 1.778 90 residues pruned to eliminate duplicates Z: 47 45.093 2.312 0.868 0.463 0.957 0.630 CB 1.671 47 residues pruned to eliminate duplicates Z: 112 90.260 2.498 1.019 0.498 0.937 0.568 CB 1.817 112 residues pruned to eliminate duplicates Z: 13 26.921 2.199 0.816 0.887 0.833 0.583 CB 1.684 13 residues pruned to eliminate duplicates Z: 68 65.367 2.528 0.972 0.478 0.896 0.552 CB 1.829 68 residues pruned to eliminate duplicates Z: 90 78.891 2.477 1.019 0.477 0.955 0.584 CB 1.792 90 residues pruned to eliminate duplicates Z: 44 49.686 2.324 1.091 0.510 0.930 0.628 CB 1.660 44 residues pruned to eliminate duplicates Z: 92 64.545 2.446 0.902 0.443 0.879 0.571 CB 1.755 92 residues pruned to eliminate duplicates Z: 91 77.863 2.450 0.961 0.478 0.967 0.644 CB 1.806 91 residues pruned to eliminate duplicates Z: 29 50.660 2.487 1.170 0.515 0.929 0.679 CB 1.882 29 residues pruned to eliminate duplicates Z: 44 45.796 2.311 0.965 0.495 0.907 0.581 CB 1.704 44 residues pruned to eliminate duplicates Z: 112 80.355 2.474 0.947 0.486 0.910 0.622 CB 1.764 112 residues pruned to eliminate duplicates Z: 23 49.170 2.400 1.127 0.582 1.000 0.682 CB 1.898 23 residues pruned to eliminate duplicates Z: 47 46.857 2.302 0.939 0.491 0.957 0.609 CB 1.633 47 residues pruned to eliminate duplicates Z: 33 37.895 2.266 0.974 0.470 0.938 0.594 CB 1.646 33 residues pruned to eliminate duplicates Z: 132 78.273 2.441 0.882 0.468 0.885 0.588 CB 1.736 161 residues pruned to eliminate duplicates Z: 72 65.381 2.553 0.929 0.498 0.887 0.648 CB 1.778 72 residues pruned to eliminate duplicates Z: 31 30.175 2.223 0.857 0.496 0.900 0.467 CB 1.489 31 residues pruned to eliminate duplicates Z: 100 65.816 2.401 0.912 0.451 0.879 0.606 CB 1.724 100 residues pruned to eliminate duplicates Z: 74 63.514 2.503 0.956 0.464 0.890 0.521 CB 1.769 74 residues pruned to eliminate duplicates Z: 84 68.146 2.474 1.044 0.482 0.880 0.542 CB 1.713 84 residues pruned to eliminate duplicates Z: 50 54.672 2.512 0.943 0.449 0.939 0.653 CB 1.797 50 residues pruned to eliminate duplicates Z: 48 55.713 2.462 1.103 0.502 0.915 0.617 CB 1.712 48 residues pruned to eliminate duplicates Z: 91 71.590 2.436 1.005 0.465 0.911 0.544 CB 1.757 91 residues pruned to eliminate duplicates Z: 54 54.786 2.508 1.007 0.483 0.887 0.566 CB 1.715 54 residues pruned to eliminate duplicates Z: 46 58.038 2.518 0.944 0.582 0.889 0.622 CB 1.839 46 residues pruned to eliminate duplicates Z: 79 62.236 2.465 0.969 0.463 0.885 0.487 CB 1.704 79 residues pruned to eliminate duplicates Z: 48 56.553 2.556 0.994 0.483 0.915 0.660 CB 1.800 48 residues pruned to eliminate duplicates Z: 114 79.136 2.468 0.977 0.477 0.876 0.628 CB 1.782 114 residues pruned to eliminate duplicates Z: 35 41.142 2.474 1.032 0.413 0.882 0.559 CB 1.742 35 residues pruned to eliminate duplicates Z: 75 71.022 2.517 0.999 0.515 0.905 0.581 CB 1.787 75 residues pruned to eliminate duplicates Z: 49 57.737 2.540 1.095 0.473 0.917 0.667 CB 1.755 49 residues pruned to eliminate duplicates Z: 75 64.365 2.518 1.000 0.506 0.865 0.608 CB 1.708 75 residues pruned to eliminate duplicates Z: 53 55.788 2.481 1.038 0.466 0.904 0.577 CB 1.754 53 residues pruned to eliminate duplicates Z: 44 59.241 2.563 1.018 0.463 0.930 0.605 CB 1.950 44 residues pruned to eliminate duplicates Z: 35 33.590 2.410 0.878 0.372 0.912 0.500 CB 1.601 35 residues pruned to eliminate duplicates Z: 74 62.148 2.478 0.970 0.470 0.904 0.603 CB 1.699 74 residues pruned to eliminate duplicates Z: 49 57.818 2.521 1.057 0.454 0.938 0.604 CB 1.800 49 residues pruned to eliminate duplicates Z: 81 65.887 2.434 0.919 0.467 0.938 0.588 CB 1.740 81 residues pruned to eliminate duplicates Z: 116 78.051 2.436 1.011 0.459 0.913 0.557 CB 1.697 116 residues pruned to eliminate duplicates Z: 46 46.165 2.504 0.880 0.455 0.911 0.622 CB 1.680 46 residues pruned to eliminate duplicates Z: 49 56.919 2.537 1.057 0.477 0.896 0.708 CB 1.799 49 residues pruned to eliminate duplicates Z: 48 53.714 2.474 0.957 0.540 0.915 0.638 CB 1.700 48 residues pruned to eliminate duplicates Z: 49 59.932 2.552 1.055 0.484 0.917 0.625 CB 1.829 49 residues pruned to eliminate duplicates Z: 48 46.248 2.462 0.971 0.413 0.872 0.617 CB 1.745 48 residues pruned to eliminate duplicates Z: 24 33.458 2.518 0.935 0.350 0.870 0.565 CB 1.936 24 residues pruned to eliminate duplicates Z: 42 69.460 2.631 1.185 0.498 0.951 0.659 CB 1.986 42 residues pruned to eliminate duplicates Z: 54 56.246 2.471 1.056 0.441 0.943 0.585 CB 1.713 54 residues pruned to eliminate duplicates Z: 91 76.323 2.473 0.996 0.488 0.956 0.644 CB 1.726 91 residues pruned to eliminate duplicates Z: 50 56.794 2.533 1.084 0.481 0.918 0.633 CB 1.707 50 residues pruned to eliminate duplicates Z: 52 54.334 2.480 1.069 0.481 0.902 0.529 CB 1.675 52 residues pruned to eliminate duplicates Z: 23 29.227 2.488 1.028 0.346 0.864 0.500 CB 1.689 23 residues pruned to eliminate duplicates Z: 59 60.755 2.491 0.969 0.482 0.897 0.569 CB 1.847 59 residues pruned to eliminate duplicates Z: 43 54.515 2.506 1.101 0.438 0.952 0.429 CB 1.788 43 residues pruned to eliminate duplicates Z: 35 43.155 2.554 0.894 0.430 0.912 0.559 CB 1.804 35 residues pruned to eliminate duplicates Z: 36 46.827 2.472 0.958 0.442 0.943 0.629 CB 1.841 36 residues pruned to eliminate duplicates Z: 95 72.411 2.473 0.977 0.503 0.872 0.564 CB 1.746 95 residues pruned to eliminate duplicates Z: 118 83.015 2.424 1.060 0.497 0.915 0.573 CB 1.685 118 residues pruned to eliminate duplicates Z: 73 68.897 2.522 1.007 0.508 0.903 0.597 CB 1.764 73 residues pruned to eliminate duplicates Z: 25 28.396 2.412 1.157 0.329 0.833 0.583 CB 1.613 25 residues pruned to eliminate duplicates Z: 27 36.860 2.435 0.717 0.570 0.885 0.538 CB 1.827 27 residues pruned to eliminate duplicates Z: 61 65.223 2.459 1.013 0.572 0.917 0.667 CB 1.732 61 residues pruned to eliminate duplicates Z: 34 42.289 2.423 0.949 0.511 0.879 0.667 CB 1.754 35 residues pruned to eliminate duplicates Z: 13 37.209 2.384 0.858 0.876 1.000 0.917 CB 1.762 13 residues pruned to eliminate duplicates Z: 28 39.304 2.372 0.838 0.574 0.889 0.556 CB 1.817 28 residues pruned to eliminate duplicates Z: 28 40.257 2.468 0.947 0.562 0.889 0.519 CB 1.708 28 residues pruned to eliminate duplicates Z: 56 62.825 2.541 0.962 0.563 0.891 0.636 CB 1.794 56 residues pruned to eliminate duplicates Z: 26 45.666 2.495 1.004 0.614 0.920 0.640 CB 1.782 26 residues pruned to eliminate duplicates Z: 58 53.379 2.437 0.962 0.507 0.877 0.596 CB 1.675 58 residues pruned to eliminate duplicates Z: 101 83.279 2.452 1.031 0.529 0.950 0.640 CB 1.712 101 residues pruned to eliminate duplicates Z: 26 43.536 2.539 0.811 0.627 0.920 0.760 CB 1.826 26 residues pruned to eliminate duplicates Z: 59 65.994 2.514 1.014 0.554 0.931 0.655 CB 1.744 59 residues pruned to eliminate duplicates Z: 25 47.146 2.502 1.079 0.627 0.917 0.792 CB 1.791 25 residues pruned to eliminate duplicates Z: 55 54.408 2.508 0.974 0.473 0.870 0.593 CB 1.766 55 residues pruned to eliminate duplicates Z: 62 65.810 2.486 0.934 0.559 0.918 0.656 CB 1.802 62 residues pruned to eliminate duplicates Z: 45 42.933 2.423 0.901 0.503 0.841 0.636 CB 1.666 45 residues pruned to eliminate duplicates Z: 27 42.246 2.470 1.015 0.612 0.885 0.615 CB 1.692 27 residues pruned to eliminate duplicates Z: 27 36.063 2.477 0.872 0.590 0.846 0.615 CB 1.653 27 residues pruned to eliminate duplicates Z: 34 31.400 2.349 0.883 0.459 0.818 0.455 CB 1.575 34 residues pruned to eliminate duplicates Z: 30 35.501 2.385 0.885 0.542 0.862 0.655 CB 1.632 30 residues pruned to eliminate duplicates Z: 101 68.727 2.375 0.967 0.475 0.900 0.600 CB 1.677 101 residues pruned to eliminate duplicates Z: 26 43.822 2.486 1.010 0.607 0.880 0.640 CB 1.801 26 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 10 B: 204 C: 154 CC for partial structure against native data = 36.43 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.636, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.755, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.767, Connect. = 0.809 for dens.mod. cycle 4 = 0.300, Contrast = 0.781, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.786, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.793, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.795, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.798, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.798, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2112 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 509 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 40.402 2.385 0.909 0.916 1.000 0.917 CB 1.809 B: 13 27.084 2.253 0.607 0.832 0.917 0.917 CA 1.769 C: 18 37.072 2.100 0.955 0.838 0.882 0.412 CA 1.856 13 residues pruned to eliminate duplicates D: 16 26.967 2.144 0.562 0.827 1.000 0.800 CB 1.566 16 residues pruned to eliminate duplicates E: 15 31.839 2.280 0.782 0.839 0.929 0.857 CB 1.684 15 residues pruned to eliminate duplicates F: 91 70.645 2.454 0.873 0.484 0.933 0.633 CB 1.764 18 residues pruned to eliminate duplicates G: 19 31.770 2.137 0.850 0.737 0.889 0.778 CB 1.723 19 residues pruned to eliminate duplicates H: 12 32.335 2.472 0.652 0.817 0.909 0.818 CA 1.995 12 residues pruned to eliminate duplicates I: 13 22.708 2.249 0.455 0.822 0.917 0.917 CB 1.654 13 residues pruned to eliminate duplicates J: 12 19.859 2.331 0.230 0.868 0.909 0.909 CB 1.678 12 residues pruned to eliminate duplicates K: 8 22.404 2.357 0.808 0.862 1.000 0.857 CB 1.459 14 residues pruned to eliminate duplicates L: 15 36.133 2.214 1.176 0.868 0.929 0.643 CB 1.578 M: 14 45.088 2.312 1.117 0.884 1.000 0.769 CA 1.846 15 residues pruned to eliminate duplicates N: 8 22.233 2.353 0.565 0.800 1.000 0.571 CA 1.754 8 residues pruned to eliminate duplicates O: 14 29.367 2.366 0.589 0.786 1.000 0.692 CB 1.684 14 residues pruned to eliminate duplicates P: 17 29.465 2.142 0.723 0.842 0.938 0.688 CB 1.586 17 residues pruned to eliminate duplicates Q: 12 26.092 2.267 0.574 0.842 0.909 0.818 CB 1.807 12 residues pruned to eliminate duplicates R: 11 25.462 2.313 0.479 0.871 0.900 0.800 CA 1.908 S: 37 34.513 2.289 0.689 0.563 0.972 0.694 CB 1.439 T: 16 22.392 2.132 0.772 0.777 0.867 0.667 CB 1.383 U: 14 39.886 2.329 0.949 0.909 1.000 0.846 CA 1.730 14 residues pruned to eliminate duplicates V: 7 5.937 2.031 0.031 0.713 0.833 0.500 CA 1.145 7 residues pruned to eliminate duplicates W: 11 46.869 2.620 1.058 0.908 1.000 0.900 CB 1.953 13 residues pruned to eliminate duplicates X: 46 45.252 2.472 0.880 0.453 0.867 0.600 CB 1.756 28 residues pruned to eliminate duplicates Y: 16 20.762 2.008 0.572 0.750 0.933 0.733 CB 1.455 Z: 11 34.969 2.559 0.791 0.933 0.900 0.700 CB 1.871 11 residues pruned to eliminate duplicates Z: 14 27.502 2.268 0.694 0.792 0.846 0.692 CA 1.816 14 residues pruned to eliminate duplicates Z: 14 33.815 2.241 0.773 0.916 1.000 0.846 CB 1.668 14 residues pruned to eliminate duplicates Z: 15 21.796 2.091 0.395 0.805 0.929 0.643 CA 1.648 11 residues pruned to eliminate duplicates Z: 51 50.339 2.499 0.934 0.480 0.860 0.560 CB 1.747 51 residues pruned to eliminate duplicates Z: 12 36.337 2.314 0.999 0.894 1.000 0.636 CA 1.699 Z: 16 26.892 2.238 1.022 0.717 0.800 0.733 CB 1.576 14 residues pruned to eliminate duplicates Z: 13 41.548 2.449 0.950 0.916 0.917 0.750 CB 1.935 13 residues pruned to eliminate duplicates Z: 21 22.748 2.266 0.896 0.373 0.900 0.500 CB 1.506 21 residues pruned to eliminate duplicates Z: 13 33.335 2.394 0.776 0.901 1.000 0.750 CB 1.615 16 residues pruned to eliminate duplicates Z: 9 11.485 1.841 0.733 0.443 1.000 0.500 CB 1.350 9 residues pruned to eliminate duplicates Z: 74 52.522 2.278 0.788 0.530 0.959 0.644 CB 1.528 51 residues pruned to eliminate duplicates Z: 13 34.761 2.363 0.858 0.920 0.833 0.833 CB 1.931 13 residues pruned to eliminate duplicates Z: 24 28.333 2.204 0.973 0.549 0.913 0.478 CB 1.419 24 residues pruned to eliminate duplicates Z: 15 30.439 2.167 0.839 0.893 0.929 0.857 CB 1.577 15 residues pruned to eliminate duplicates Z: 13 39.473 2.440 0.894 0.924 1.000 0.917 CB 1.731 13 residues pruned to eliminate duplicates Z: 15 24.689 2.188 0.822 0.844 0.786 0.643 CB 1.568 15 residues pruned to eliminate duplicates Z: 15 26.231 2.162 0.685 0.829 0.857 0.571 CB 1.689 16 residues pruned to eliminate duplicates Z: 18 24.436 2.178 0.489 0.785 0.882 0.588 CB 1.612 17 residues pruned to eliminate duplicates Z: 13 31.384 2.335 0.597 0.913 0.917 0.833 CB 1.876 13 residues pruned to eliminate duplicates Z: 49 53.306 2.582 0.865 0.482 0.875 0.625 CB 1.860 49 residues pruned to eliminate duplicates Z: 15 23.989 2.135 0.499 0.835 0.929 0.714 CB 1.616 15 residues pruned to eliminate duplicates Z: 14 28.824 2.274 0.877 0.860 0.923 0.692 CB 1.491 14 residues pruned to eliminate duplicates Z: 16 30.097 2.148 0.848 0.852 0.867 0.733 CB 1.671 15 residues pruned to eliminate duplicates Z: 42 32.582 2.118 0.832 0.463 0.878 0.561 CB 1.551 12 residues pruned to eliminate duplicates Z: 17 22.215 2.071 0.635 0.891 0.938 0.625 CB 1.258 17 residues pruned to eliminate duplicates Z: 18 27.283 2.204 0.581 0.848 1.000 0.647 CB 1.409 15 residues pruned to eliminate duplicates Z: 18 23.090 2.207 0.391 0.838 0.941 0.765 CB 1.448 18 residues pruned to eliminate duplicates Z: 14 27.017 2.199 0.447 0.869 1.000 0.769 CB 1.720 14 residues pruned to eliminate duplicates Z: 70 60.202 2.538 0.916 0.486 0.870 0.580 CB 1.739 70 residues pruned to eliminate duplicates Z: 115 80.320 2.497 0.939 0.485 0.895 0.570 CB 1.763 115 residues pruned to eliminate duplicates Z: 12 17.033 1.919 0.596 0.798 0.818 0.636 CA 1.580 Z: 10 20.285 2.197 0.455 0.853 0.889 0.778 CB 1.758 11 residues pruned to eliminate duplicates Z: 93 70.654 2.474 0.921 0.463 0.902 0.587 CB 1.783 93 residues pruned to eliminate duplicates Z: 15 28.564 2.050 0.747 0.910 1.000 0.786 CA 1.513 15 residues pruned to eliminate duplicates Z: 13 37.863 2.284 0.883 0.930 1.000 0.750 CA 1.777 13 residues pruned to eliminate duplicates Z: 85 73.521 2.498 0.958 0.483 0.929 0.667 CB 1.797 86 residues pruned to eliminate duplicates Z: 8 28.696 2.374 1.030 0.879 1.000 0.857 CB 1.632 8 residues pruned to eliminate duplicates Z: 58 41.973 2.257 0.863 0.493 0.860 0.544 CB 1.548 42 residues pruned to eliminate duplicates Z: 73 48.750 2.254 0.782 0.553 0.917 0.639 CB 1.482 73 residues pruned to eliminate duplicates Z: 45 64.573 2.629 1.104 0.472 0.932 0.545 CB 1.944 45 residues pruned to eliminate duplicates Z: 15 23.887 2.214 0.489 0.870 0.857 0.786 CB 1.649 15 residues pruned to eliminate duplicates Z: 16 26.227 2.207 0.434 0.791 1.000 0.467 CB 1.657 16 residues pruned to eliminate duplicates Z: 11 9.109 2.137 0.984 0.311 0.700 0.400 CB 1.197 Z: 7 12.842 1.877 0.932 0.630 1.000 0.667 C 1.279 7 residues pruned to eliminate duplicates Z: 11 17.250 2.020 0.538 0.814 0.800 0.600 CB 1.670 11 residues pruned to eliminate duplicates Z: 32 37.259 2.107 1.244 0.597 0.903 0.484 CB 1.428 27 residues pruned to eliminate duplicates Z: 11 34.197 2.310 1.106 0.924 1.000 0.800 CA 1.561 11 residues pruned to eliminate duplicates Z: 15 37.985 2.262 1.174 0.757 1.000 0.643 CB 1.643 15 residues pruned to eliminate duplicates Z: 27 25.996 2.157 0.615 0.647 0.846 0.615 CB 1.508 17 residues pruned to eliminate duplicates Z: 16 24.253 2.186 0.404 0.842 0.933 0.800 CB 1.629 16 residues pruned to eliminate duplicates Z: 12 24.760 2.281 0.507 0.898 1.000 1.000 CA 1.553 12 residues pruned to eliminate duplicates Z: 11 19.726 1.974 0.348 0.864 1.000 0.700 CA 1.719 11 residues pruned to eliminate duplicates Z: 17 31.135 2.122 0.784 0.862 0.938 0.438 CB 1.610 17 residues pruned to eliminate duplicates Z: 10 22.039 2.404 0.281 0.894 1.000 0.889 CA 1.712 10 residues pruned to eliminate duplicates Z: 8 12.300 2.007 0.658 0.494 1.000 0.571 CA 1.405 8 residues pruned to eliminate duplicates Z: 7 6.873 1.849 0.297 0.751 1.000 0.667 CB 0.935 Z: 6 9.363 2.206 0.357 0.518 0.800 0.800 CA 1.718 6 residues pruned to eliminate duplicates Z: 6 19.130 2.161 0.955 0.687 1.000 0.600 CA 1.705 6 residues pruned to eliminate duplicates Z: 15 23.293 2.313 0.391 0.814 0.929 0.714 CB 1.586 15 residues pruned to eliminate duplicates Z: 26 37.474 2.414 0.990 0.612 0.880 0.640 CB 1.594 26 residues pruned to eliminate duplicates Z: 16 23.428 2.052 0.439 0.807 0.933 0.667 CA 1.681 16 residues pruned to eliminate duplicates Z: 56 33.602 2.070 0.726 0.536 0.873 0.636 CB 1.402 38 residues pruned to eliminate duplicates Z: 15 26.737 2.051 0.774 0.871 0.929 0.643 CB 1.543 15 residues pruned to eliminate duplicates Z: 10 9.934 2.049 0.611 0.354 1.000 0.778 CB 1.174 10 residues pruned to eliminate duplicates Z: 25 24.837 2.232 0.741 0.492 0.833 0.500 CB 1.579 25 residues pruned to eliminate duplicates Z: 13 12.721 2.170 0.907 0.405 0.833 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 62 50.629 2.356 0.865 0.481 0.918 0.590 CB 1.637 62 residues pruned to eliminate duplicates Z: 17 24.917 1.987 0.743 0.804 0.938 0.625 CB 1.471 15 residues pruned to eliminate duplicates Z: 17 21.462 2.115 0.462 0.750 0.938 0.750 CB 1.481 17 residues pruned to eliminate duplicates Z: 15 27.015 2.119 0.936 0.753 0.929 0.500 CA 1.513 15 residues pruned to eliminate duplicates Z: 13 26.062 2.293 0.426 0.894 0.917 0.750 CB 1.801 13 residues pruned to eliminate duplicates Z: 12 20.043 2.002 0.502 0.800 1.000 0.727 CA 1.546 12 residues pruned to eliminate duplicates Z: 52 39.040 2.223 0.906 0.443 0.902 0.569 CB 1.516 66 residues pruned to eliminate duplicates Z: 13 19.490 2.132 0.354 0.833 0.917 0.667 CB 1.596 13 residues pruned to eliminate duplicates Z: 66 35.869 2.210 0.694 0.416 0.892 0.523 CB 1.453 51 residues pruned to eliminate duplicates Z: 14 24.938 2.225 0.756 0.927 1.000 0.692 CB 1.241 Z: 90 59.134 2.412 0.903 0.409 0.888 0.494 CB 1.693 90 residues pruned to eliminate duplicates Z: 14 19.412 2.143 0.663 0.925 0.923 0.846 CB 1.148 13 residues pruned to eliminate duplicates Z: 35 46.388 2.525 0.937 0.426 0.912 0.529 CB 1.925 35 residues pruned to eliminate duplicates Z: 7 11.117 1.963 0.576 0.695 0.833 0.667 CA 1.473 7 residues pruned to eliminate duplicates Z: 17 23.978 2.018 0.680 0.784 0.875 0.562 CB 1.574 17 residues pruned to eliminate duplicates Z: 48 41.725 2.287 0.601 0.469 1.000 0.574 CB 1.716 48 residues pruned to eliminate duplicates Z: 74 49.347 2.264 0.841 0.467 0.904 0.616 CB 1.585 67 residues pruned to eliminate duplicates Z: 12 23.575 2.279 0.390 0.932 1.000 0.909 CB 1.567 12 residues pruned to eliminate duplicates Z: 13 26.196 2.094 1.054 0.847 0.917 0.583 CA 1.424 13 residues pruned to eliminate duplicates Z: 20 27.053 2.330 0.680 0.778 0.842 0.632 CB 1.473 20 residues pruned to eliminate duplicates Z: 6 4.993 1.735 -0.045 0.795 1.000 1.000 CA 1.040 6 residues pruned to eliminate duplicates Z: 10 15.868 2.008 0.545 0.761 0.778 0.556 CA 1.739 10 residues pruned to eliminate duplicates Z: 13 24.292 2.132 0.757 0.841 0.833 0.583 CA 1.676 13 residues pruned to eliminate duplicates Z: 51 32.861 2.155 0.562 0.525 0.940 0.680 CB 1.432 49 residues pruned to eliminate duplicates Z: 16 27.959 2.131 0.897 0.828 0.800 0.667 CA 1.681 16 residues pruned to eliminate duplicates Z: 20 23.108 2.043 0.466 0.829 1.000 0.474 CB 1.332 17 residues pruned to eliminate duplicates Z: 13 27.171 2.260 0.777 0.867 1.000 0.750 CB 1.428 13 residues pruned to eliminate duplicates Z: 17 22.853 2.133 0.432 0.818 0.875 0.688 CB 1.622 17 residues pruned to eliminate duplicates Z: 22 22.703 2.173 0.393 0.637 0.952 0.667 CB 1.512 22 residues pruned to eliminate duplicates Z: 48 53.865 2.559 0.960 0.460 0.872 0.596 CB 1.871 48 residues pruned to eliminate duplicates Z: 15 24.713 2.277 0.606 0.833 0.857 0.643 CB 1.580 15 residues pruned to eliminate duplicates Z: 15 23.505 2.084 0.704 0.921 1.000 0.714 CB 1.244 15 residues pruned to eliminate duplicates Z: 13 19.770 2.162 0.305 0.859 0.833 0.833 CB 1.786 13 residues pruned to eliminate duplicates Z: 71 46.147 2.235 0.801 0.457 0.943 0.529 CB 1.519 70 residues pruned to eliminate duplicates Z: 73 69.575 2.514 1.069 0.535 0.875 0.597 CB 1.740 94 residues pruned to eliminate duplicates Z: 12 18.317 1.886 0.446 0.849 1.000 0.455 CA 1.501 12 residues pruned to eliminate duplicates Z: 13 30.118 2.203 1.051 0.891 0.917 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 12 32.269 2.084 0.826 0.942 1.000 0.818 CB 1.773 12 residues pruned to eliminate duplicates Z: 14 33.963 2.176 1.017 0.886 0.923 0.846 CB 1.678 14 residues pruned to eliminate duplicates Z: 18 25.766 2.322 0.364 0.737 0.941 0.824 CB 1.694 18 residues pruned to eliminate duplicates Z: 10 12.705 1.759 0.341 0.904 1.000 0.889 CB 1.278 10 residues pruned to eliminate duplicates Z: 61 39.760 2.173 0.877 0.464 0.883 0.567 CB 1.478 46 residues pruned to eliminate duplicates Z: 45 61.640 2.576 0.996 0.529 0.909 0.591 CB 1.931 45 residues pruned to eliminate duplicates Z: 10 12.474 1.770 0.437 0.882 1.000 0.889 CB 1.183 10 residues pruned to eliminate duplicates Z: 12 23.352 2.322 0.520 0.824 0.818 0.636 CA 1.842 12 residues pruned to eliminate duplicates Z: 67 49.424 2.255 0.834 0.499 0.955 0.667 CB 1.543 68 residues pruned to eliminate duplicates Z: 14 31.097 2.209 0.740 0.869 1.000 0.769 CA 1.639 14 residues pruned to eliminate duplicates Z: 9 7.614 1.958 0.480 0.527 0.750 0.625 CB 1.206 9 residues pruned to eliminate duplicates Z: 28 41.398 2.246 1.203 0.688 0.926 0.593 CB 1.463 22 residues pruned to eliminate duplicates Z: 17 23.654 2.234 0.408 0.798 0.938 0.625 CB 1.545 19 residues pruned to eliminate duplicates Z: 15 21.190 2.221 0.408 0.906 1.000 0.857 CB 1.287 15 residues pruned to eliminate duplicates Z: 12 34.498 2.282 1.374 0.833 0.909 0.818 CB 1.584 12 residues pruned to eliminate duplicates Z: 20 7.815 1.643 0.447 0.354 0.737 0.579 CB 1.198 18 residues pruned to eliminate duplicates Z: 8 10.147 1.830 0.321 0.592 1.000 0.714 CB 1.453 Z: 27 34.901 2.469 0.684 0.566 0.923 0.538 CB 1.673 27 residues pruned to eliminate duplicates Z: 6 2.482 1.540 0.068 0.576 0.600 0.400 N 1.046 Z: 8 14.027 1.696 0.692 0.867 1.000 0.714 CB 1.352 8 residues pruned to eliminate duplicates Z: 18 20.106 2.002 0.458 0.764 0.882 0.588 CB 1.497 18 residues pruned to eliminate duplicates Z: 91 70.416 2.447 0.955 0.464 0.922 0.633 CB 1.744 91 residues pruned to eliminate duplicates Z: 55 35.211 2.135 0.875 0.460 0.870 0.593 CB 1.433 55 residues pruned to eliminate duplicates Z: 30 35.085 2.336 0.859 0.518 0.897 0.517 CB 1.644 30 residues pruned to eliminate duplicates Z: 29 34.222 2.184 1.124 0.638 0.893 0.571 CB 1.373 29 residues pruned to eliminate duplicates Z: 50 55.288 2.558 0.919 0.457 0.918 0.571 CB 1.831 50 residues pruned to eliminate duplicates Z: 10 11.904 1.748 0.312 0.893 1.000 0.889 CB 1.242 10 residues pruned to eliminate duplicates Z: 12 5.072 1.753 0.116 0.463 0.818 0.455 CB 0.992 12 residues pruned to eliminate duplicates Z: 81 49.720 2.224 0.868 0.499 0.887 0.588 CB 1.510 81 residues pruned to eliminate duplicates Z: 8 12.110 2.171 0.680 0.593 0.857 0.714 CB 1.339 8 residues pruned to eliminate duplicates Z: 6 15.217 2.587 -0.045 0.855 1.000 0.600 CB 2.033 6 residues pruned to eliminate duplicates Z: 15 20.098 2.162 0.831 0.919 0.857 0.357 CB 1.116 15 residues pruned to eliminate duplicates Z: 15 27.846 2.271 0.589 0.899 1.000 0.786 CB 1.474 15 residues pruned to eliminate duplicates Z: 19 20.450 1.917 0.419 0.680 0.944 0.667 CB 1.590 19 residues pruned to eliminate duplicates Z: 9 9.539 1.990 0.587 0.527 0.875 0.625 CA 1.188 9 residues pruned to eliminate duplicates Z: 10 18.949 2.165 0.974 0.455 1.000 0.778 CB 1.547 10 residues pruned to eliminate duplicates Z: 6 10.760 2.174 0.523 0.624 0.800 0.800 CB 1.615 6 residues pruned to eliminate duplicates Z: 55 33.342 2.176 0.779 0.425 0.833 0.611 CB 1.520 69 residues pruned to eliminate duplicates Z: 97 41.047 2.083 0.796 0.397 0.885 0.594 CB 1.409 97 residues pruned to eliminate duplicates Z: 17 24.387 2.121 0.515 0.814 0.938 0.688 CB 1.540 17 residues pruned to eliminate duplicates Z: 25 25.674 2.163 0.560 0.684 0.875 0.750 CB 1.499 25 residues pruned to eliminate duplicates Z: 11 13.281 1.663 0.705 0.884 1.000 0.500 CB 1.070 Z: 16 26.843 2.234 0.632 0.871 1.000 0.667 CB 1.387 16 residues pruned to eliminate duplicates Z: 12 16.681 2.052 0.464 0.681 0.909 0.818 CB 1.559 12 residues pruned to eliminate duplicates Z: 14 24.439 2.057 1.131 0.914 0.923 0.462 CB 1.184 14 residues pruned to eliminate duplicates Z: 10 7.825 1.652 0.784 0.311 0.778 0.556 CB 1.403 Z: 15 19.603 2.263 0.270 0.721 0.929 0.571 CB 1.609 15 residues pruned to eliminate duplicates Z: 14 25.413 2.076 0.717 0.896 0.923 0.923 CA 1.535 14 residues pruned to eliminate duplicates Z: 23 27.592 2.366 0.968 0.322 0.818 0.500 CA 1.878 23 residues pruned to eliminate duplicates Z: 43 34.598 2.203 0.852 0.448 0.881 0.619 CB 1.566 43 residues pruned to eliminate duplicates Z: 10 11.956 1.827 0.132 0.845 1.000 0.778 CB 1.433 Z: 7 5.994 1.726 0.769 0.618 0.667 0.500 CA 1.076 7 residues pruned to eliminate duplicates Z: 9 7.686 1.762 0.726 0.461 0.875 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 26 42.007 2.293 1.155 0.725 0.960 0.720 CB 1.446 27 residues pruned to eliminate duplicates Z: 6 3.715 1.968 -0.248 0.384 0.800 0.400 N 1.588 Z: 15 18.699 2.267 0.221 0.821 0.857 0.857 CB 1.594 15 residues pruned to eliminate duplicates Z: 18 19.121 1.912 0.348 0.906 1.000 0.765 CB 1.279 18 residues pruned to eliminate duplicates Z: 8 11.242 1.829 0.322 0.895 1.000 1.000 CB 1.260 8 residues pruned to eliminate duplicates Z: 119 56.207 2.220 0.831 0.472 0.890 0.585 CB 1.473 119 residues pruned to eliminate duplicates Z: 70 45.616 2.206 0.883 0.495 0.884 0.609 CB 1.502 70 residues pruned to eliminate duplicates Z: 11 8.986 1.896 0.487 0.642 0.900 0.900 CB 0.981 Z: 26 42.924 2.266 1.261 0.687 0.960 0.600 CB 1.470 26 residues pruned to eliminate duplicates Z: 15 17.071 2.025 0.628 0.495 0.929 0.643 CB 1.498 15 residues pruned to eliminate duplicates Z: 26 17.689 2.020 0.593 0.405 0.880 0.520 CB 1.380 26 residues pruned to eliminate duplicates Z: 73 65.592 2.508 0.915 0.483 0.889 0.597 CB 1.843 73 residues pruned to eliminate duplicates Z: 7 8.670 1.961 0.333 0.848 0.833 0.833 CB 1.205 7 residues pruned to eliminate duplicates Z: 7 11.882 2.099 0.609 0.679 1.000 0.667 CB 1.218 7 residues pruned to eliminate duplicates Z: 20 40.381 2.370 1.289 0.707 0.895 0.579 CB 1.581 20 residues pruned to eliminate duplicates Z: 12 32.168 2.374 0.799 0.903 1.000 0.818 CB 1.618 12 residues pruned to eliminate duplicates Z: 6 3.611 1.350 0.207 0.775 0.800 0.400 N 0.972 Z: 6 2.422 1.687 -0.083 0.511 0.800 0.400 N 0.866 Z: 16 11.565 1.570 0.763 0.412 0.867 0.533 CB 1.364 Z: 17 21.740 2.237 0.306 0.833 1.000 0.688 CB 1.396 16 residues pruned to eliminate duplicates Z: 19 7.851 1.682 0.443 0.356 0.833 0.444 CB 1.068 19 residues pruned to eliminate duplicates Z: 110 63.048 2.282 0.899 0.481 0.927 0.633 CB 1.533 110 residues pruned to eliminate duplicates Z: 27 40.947 2.178 1.249 0.684 0.962 0.692 CB 1.440 27 residues pruned to eliminate duplicates Z: 6 9.213 1.721 1.010 0.592 1.000 0.600 C 1.090 6 residues pruned to eliminate duplicates Z: 6 2.733 1.655 0.474 0.299 0.800 0.400 CB 0.784 Z: 7 10.737 1.965 0.624 0.675 0.833 0.667 CB 1.402 7 residues pruned to eliminate duplicates Z: 31 20.253 1.967 0.851 0.387 0.833 0.467 CB 1.373 31 residues pruned to eliminate duplicates Z: 88 46.535 2.176 0.755 0.484 0.943 0.644 CB 1.408 88 residues pruned to eliminate duplicates Z: 10 13.224 1.766 0.533 0.891 1.000 0.556 CB 1.171 10 residues pruned to eliminate duplicates Z: 6 6.098 1.910 0.541 0.813 1.000 0.600 CB 0.706 6 residues pruned to eliminate duplicates Z: 15 22.182 2.248 0.563 0.786 0.857 0.714 CB 1.530 15 residues pruned to eliminate duplicates Z: 18 23.022 2.069 0.691 0.826 0.882 0.471 CB 1.364 18 residues pruned to eliminate duplicates Z: 6 14.041 2.169 0.476 0.623 1.000 0.400 CA 1.748 6 residues pruned to eliminate duplicates Z: 18 15.424 1.977 0.689 0.443 0.941 0.706 CB 1.262 18 residues pruned to eliminate duplicates Z: 18 21.963 2.024 1.234 0.441 0.882 0.647 CB 1.418 18 residues pruned to eliminate duplicates Z: 99 78.501 2.435 0.930 0.548 0.929 0.653 CB 1.735 99 residues pruned to eliminate duplicates Z: 24 40.866 2.523 0.961 0.522 0.913 0.609 CB 1.845 24 residues pruned to eliminate duplicates Z: 45 33.309 2.256 0.762 0.492 0.864 0.568 CB 1.475 45 residues pruned to eliminate duplicates Z: 11 12.726 1.656 0.461 0.907 1.000 0.800 CB 1.183 11 residues pruned to eliminate duplicates Z: 12 13.585 2.032 0.859 0.362 0.818 0.545 CB 1.538 12 residues pruned to eliminate duplicates Z: 11 6.711 1.649 0.507 0.454 0.800 0.600 CB 1.119 Z: 9 24.283 2.100 1.083 0.860 0.875 0.875 CB 1.650 9 residues pruned to eliminate duplicates Z: 52 34.743 2.254 0.784 0.429 0.882 0.588 CB 1.476 52 residues pruned to eliminate duplicates Z: 26 39.417 2.492 0.831 0.609 0.920 0.680 CB 1.694 27 residues pruned to eliminate duplicates Z: 53 37.918 2.173 0.625 0.578 0.942 0.635 CB 1.465 54 residues pruned to eliminate duplicates Z: 8 10.382 1.771 0.233 0.868 1.000 0.714 CB 1.314 8 residues pruned to eliminate duplicates Z: 26 21.250 2.127 0.542 0.600 0.800 0.560 CB 1.473 26 residues pruned to eliminate duplicates Z: 22 18.876 2.010 0.357 0.649 0.905 0.619 CB 1.453 22 residues pruned to eliminate duplicates Z: 11 12.665 1.755 0.450 0.826 0.900 0.400 CB 1.319 10 residues pruned to eliminate duplicates Z: 39 33.773 2.314 0.855 0.419 0.868 0.632 CB 1.599 39 residues pruned to eliminate duplicates Z: 6 2.875 1.749 0.030 0.579 1.000 0.800 N 0.661 6 residues pruned to eliminate duplicates Z: 6 17.100 2.183 0.557 0.728 1.000 0.800 CB 1.832 6 residues pruned to eliminate duplicates Z: 16 25.195 2.336 0.365 0.836 1.000 0.600 CB 1.528 16 residues pruned to eliminate duplicates Z: 14 21.760 2.020 0.740 0.800 0.846 0.615 CB 1.561 14 residues pruned to eliminate duplicates Z: 15 11.666 1.548 0.417 0.845 1.000 0.500 CB 1.057 15 residues pruned to eliminate duplicates Z: 71 71.611 2.547 0.974 0.514 0.929 0.643 CB 1.808 70 residues pruned to eliminate duplicates Z: 75 45.372 2.268 0.690 0.554 0.905 0.649 CB 1.442 81 residues pruned to eliminate duplicates Z: 12 22.002 2.242 0.941 0.520 1.000 0.727 CB 1.495 12 residues pruned to eliminate duplicates Z: 11 9.083 1.580 0.294 0.858 1.000 0.300 CB 1.035 11 residues pruned to eliminate duplicates Z: 6 12.903 2.092 0.329 0.808 1.000 0.800 CA 1.587 6 residues pruned to eliminate duplicates Z: 11 12.603 1.698 0.588 0.900 0.900 0.700 CB 1.173 11 residues pruned to eliminate duplicates Z: 15 23.175 2.065 0.875 0.873 0.929 0.714 CB 1.255 15 residues pruned to eliminate duplicates Z: 12 11.924 2.031 0.442 0.382 0.909 0.455 CB 1.531 12 residues pruned to eliminate duplicates Z: 92 71.763 2.483 0.952 0.467 0.901 0.626 CB 1.780 92 residues pruned to eliminate duplicates Z: 20 15.890 1.747 0.585 0.551 0.895 0.842 CB 1.400 20 residues pruned to eliminate duplicates Z: 32 28.396 2.202 0.650 0.532 0.871 0.645 CB 1.562 32 residues pruned to eliminate duplicates Z: 15 19.802 2.114 0.850 0.501 0.929 0.643 CB 1.456 15 residues pruned to eliminate duplicates Z: 63 63.170 2.512 0.948 0.475 0.903 0.613 CB 1.862 63 residues pruned to eliminate duplicates Z: 11 19.576 1.994 0.389 0.899 1.000 0.800 CA 1.598 11 residues pruned to eliminate duplicates Z: 20 15.684 2.030 0.595 0.405 0.947 0.632 CB 1.296 20 residues pruned to eliminate duplicates Z: 38 32.693 2.202 0.796 0.584 0.946 0.649 CB 1.325 38 residues pruned to eliminate duplicates Z: 7 6.713 1.753 0.782 0.555 0.667 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 18 18.397 2.167 0.547 0.462 0.941 0.765 CB 1.470 18 residues pruned to eliminate duplicates Z: 6 4.440 1.638 0.579 0.633 0.800 0.400 CB 0.848 6 residues pruned to eliminate duplicates Z: 13 27.749 2.163 1.110 0.823 0.833 0.500 CB 1.592 13 residues pruned to eliminate duplicates Z: 7 9.948 1.831 0.623 0.640 0.833 0.667 CA 1.438 7 residues pruned to eliminate duplicates Z: 20 17.268 2.271 1.037 0.367 0.684 0.526 CB 1.443 20 residues pruned to eliminate duplicates Z: 7 9.186 2.125 0.102 0.514 1.000 0.667 CB 1.580 7 residues pruned to eliminate duplicates Z: 11 14.215 2.220 0.583 0.510 0.900 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 25 33.981 2.182 0.898 0.507 0.917 0.458 CA 1.814 25 residues pruned to eliminate duplicates Z: 7 10.369 1.869 0.685 0.492 1.000 0.667 CA 1.355 Z: 15 9.804 1.589 0.798 0.345 0.857 0.714 CA 1.266 15 residues pruned to eliminate duplicates Z: 36 25.724 2.190 0.544 0.458 0.943 0.600 CB 1.424 36 residues pruned to eliminate duplicates Z: 6 2.879 1.573 0.116 0.495 0.800 0.600 CB 0.922 6 residues pruned to eliminate duplicates Z: 19 30.050 2.261 1.059 0.373 0.944 0.444 CB 1.846 19 residues pruned to eliminate duplicates Z: 124 81.456 2.442 0.889 0.476 0.935 0.585 CB 1.744 140 residues pruned to eliminate duplicates Z: 6 4.295 1.734 -0.035 0.529 1.000 0.800 CB 1.115 6 residues pruned to eliminate duplicates Z: 8 9.113 1.856 0.216 0.875 0.857 0.714 CB 1.295 8 residues pruned to eliminate duplicates Z: 31 32.844 2.242 0.794 0.517 0.933 0.733 CB 1.570 31 residues pruned to eliminate duplicates Z: 76 41.600 2.252 0.792 0.468 0.867 0.547 CB 1.419 76 residues pruned to eliminate duplicates Z: 10 9.131 1.713 0.152 0.864 1.000 0.778 CB 1.131 10 residues pruned to eliminate duplicates Z: 18 11.360 2.075 0.204 0.495 0.765 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 17 24.465 2.122 0.648 0.792 0.938 0.688 CB 1.444 17 residues pruned to eliminate duplicates Z: 36 29.923 2.177 0.852 0.418 0.943 0.514 CB 1.450 36 residues pruned to eliminate duplicates Z: 7 3.304 1.713 0.395 0.537 0.667 0.500 CB 0.816 7 residues pruned to eliminate duplicates Z: 9 6.662 1.512 0.510 0.431 0.875 0.500 CB 1.266 9 residues pruned to eliminate duplicates Z: 46 32.043 2.190 0.754 0.454 0.889 0.711 CB 1.466 46 residues pruned to eliminate duplicates Z: 36 33.204 2.297 0.563 0.575 0.971 0.800 CB 1.497 36 residues pruned to eliminate duplicates Z: 8 11.590 1.762 0.498 0.866 1.000 0.714 CB 1.215 8 residues pruned to eliminate duplicates Z: 12 15.835 1.822 0.505 0.812 0.909 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 7 8.307 2.024 0.282 0.591 0.833 0.833 CA 1.438 7 residues pruned to eliminate duplicates Z: 22 13.167 2.025 0.638 0.325 0.810 0.429 CB 1.297 22 residues pruned to eliminate duplicates Z: 15 23.310 2.257 0.535 0.919 1.000 0.500 CB 1.267 15 residues pruned to eliminate duplicates Z: 7 9.031 1.794 0.750 0.570 1.000 1.000 CB 1.098 7 residues pruned to eliminate duplicates Z: 11 11.135 1.632 0.410 0.804 0.900 0.500 CB 1.303 11 residues pruned to eliminate duplicates Z: 58 40.678 2.195 0.752 0.478 0.930 0.579 CB 1.541 58 residues pruned to eliminate duplicates Z: 14 20.910 2.009 0.641 0.717 0.923 0.692 CB 1.566 14 residues pruned to eliminate duplicates Z: 53 33.432 2.141 0.599 0.578 0.942 0.615 CB 1.334 53 residues pruned to eliminate duplicates Z: 7 8.369 1.834 0.377 0.563 1.000 0.333 CB 1.272 Z: 14 26.422 2.386 0.592 0.836 0.923 0.308 CB 1.564 14 residues pruned to eliminate duplicates Z: 13 44.752 2.439 0.996 0.878 1.000 0.333 CB 1.926 13 residues pruned to eliminate duplicates Z: 15 11.512 1.553 0.380 0.844 0.929 0.643 CA 1.151 15 residues pruned to eliminate duplicates Z: 12 9.217 1.654 0.309 0.600 0.909 0.727 CB 1.283 12 residues pruned to eliminate duplicates Z: 36 35.040 2.192 0.953 0.404 0.943 0.571 CB 1.622 36 residues pruned to eliminate duplicates Z: 14 21.042 2.139 0.595 0.793 1.000 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 6 7.124 1.587 0.995 0.451 1.000 1.000 CB 1.058 Z: 10 12.116 1.779 0.336 0.887 1.000 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 20 9.769 1.688 0.421 0.547 0.789 0.632 CB 1.130 27 residues pruned to eliminate duplicates Z: 13 27.857 2.230 1.043 0.923 0.917 0.583 CB 1.354 5 residues pruned to eliminate duplicates Z: 7 4.556 1.461 0.529 0.579 0.833 0.333 CB 0.926 Z: 16 21.345 2.303 0.304 0.804 0.933 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 41 34.290 2.290 0.789 0.479 0.900 0.500 CB 1.501 41 residues pruned to eliminate duplicates Z: 79 52.108 2.360 0.819 0.448 0.833 0.500 CB 1.740 79 residues pruned to eliminate duplicates Z: 9 10.488 1.627 0.396 0.905 1.000 0.875 CB 1.162 9 residues pruned to eliminate duplicates Z: 11 16.986 1.996 0.701 0.771 0.700 0.600 CA 1.777 11 residues pruned to eliminate duplicates Z: 67 61.345 2.513 0.917 0.485 0.894 0.576 CB 1.780 67 residues pruned to eliminate duplicates Z: 22 13.868 1.968 0.655 0.361 0.905 0.476 CB 1.193 22 residues pruned to eliminate duplicates Z: 15 28.228 2.058 1.104 0.904 0.929 0.643 CB 1.337 13 residues pruned to eliminate duplicates Z: 6 2.822 1.538 -0.013 0.787 1.000 1.000 CB 0.646 5 residues pruned to eliminate duplicates Z: 7 8.796 2.193 0.069 0.573 0.833 0.500 CA 1.713 7 residues pruned to eliminate duplicates Z: 15 14.845 1.984 0.680 0.858 0.786 0.571 CB 1.115 16 residues pruned to eliminate duplicates Z: 10 11.138 1.807 0.080 0.908 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 11 11.805 1.645 0.490 0.811 1.000 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 12 27.218 2.037 1.345 0.882 0.909 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 12 45.334 2.317 1.252 0.851 1.000 0.545 CB 1.939 12 residues pruned to eliminate duplicates Z: 59 40.578 2.252 0.590 0.476 0.931 0.569 CB 1.637 59 residues pruned to eliminate duplicates Z: 12 12.654 1.597 0.371 0.846 1.000 0.636 O 1.294 12 residues pruned to eliminate duplicates Z: 16 26.030 2.048 1.046 0.798 0.800 0.667 CB 1.544 16 residues pruned to eliminate duplicates Z: 11 36.318 2.515 0.861 0.866 0.900 0.700 CA 1.996 11 residues pruned to eliminate duplicates Z: 21 22.264 2.234 0.487 0.775 0.900 0.400 CB 1.306 21 residues pruned to eliminate duplicates Z: 15 17.848 1.962 0.696 0.879 0.929 0.571 CB 1.119 15 residues pruned to eliminate duplicates 6 1.874 1.783 -0.165 0.313 0.800 0.600 CB 0.865 ? Z: 83 63.505 2.429 0.878 0.486 0.902 0.634 CB 1.727 83 residues pruned to eliminate duplicates Z: 31 25.538 1.879 0.543 0.672 1.000 0.700 CB 1.372 31 residues pruned to eliminate duplicates Z: 9 14.769 1.588 0.688 0.871 1.000 0.875 N 1.421 9 residues pruned to eliminate duplicates Z: 7 2.095 1.567 0.568 0.344 0.500 0.500 C 0.825 Z: 7 3.740 1.790 -0.124 0.582 1.000 0.333 CB 0.900 7 residues pruned to eliminate duplicates Z: 25 33.146 2.285 0.592 0.682 0.958 0.625 CB 1.641 25 residues pruned to eliminate duplicates Z: 19 12.003 1.709 0.475 0.528 0.889 0.611 CB 1.228 19 residues pruned to eliminate duplicates Z: 27 26.009 2.179 0.879 0.438 0.846 0.500 CB 1.569 27 residues pruned to eliminate duplicates Z: 18 27.982 2.106 0.772 0.691 0.941 0.647 CB 1.623 18 residues pruned to eliminate duplicates Z: 35 25.042 2.154 0.518 0.465 0.941 0.559 CB 1.447 35 residues pruned to eliminate duplicates Z: 9 7.421 2.011 0.341 0.427 0.750 0.500 CB 1.399 9 residues pruned to eliminate duplicates Z: 99 76.555 2.538 0.907 0.486 0.878 0.633 CB 1.847 99 residues pruned to eliminate duplicates Z: 13 13.222 1.804 0.736 0.486 0.917 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 29 37.465 2.495 0.831 0.515 0.857 0.714 CB 1.782 35 residues pruned to eliminate duplicates Z: 23 34.469 2.404 0.852 0.588 0.864 0.773 CB 1.757 23 residues pruned to eliminate duplicates Z: 11 26.335 2.262 0.863 0.833 0.900 0.600 CB 1.647 11 residues pruned to eliminate duplicates Z: 47 32.834 2.186 0.560 0.534 0.957 0.587 CB 1.434 47 residues pruned to eliminate duplicates Z: 57 61.508 2.497 0.908 0.582 0.893 0.643 CB 1.786 57 residues pruned to eliminate duplicates Z: 22 34.845 2.482 0.752 0.622 0.952 0.762 CB 1.637 22 residues pruned to eliminate duplicates Z: 10 9.817 1.789 0.050 0.881 1.000 0.778 CB 1.261 10 residues pruned to eliminate duplicates Z: 22 17.155 1.878 0.388 0.475 0.905 0.571 CA 1.627 22 residues pruned to eliminate duplicates Z: 7 6.536 1.621 0.611 0.512 0.833 0.833 CB 1.212 7 residues pruned to eliminate duplicates Z: 27 22.217 2.146 0.798 0.434 0.885 0.577 CB 1.367 27 residues pruned to eliminate duplicates Z: 6 12.207 2.018 0.919 0.786 0.800 0.800 CA 1.371 Z: 7 7.661 1.889 0.610 0.676 0.833 0.333 CB 1.049 7 residues pruned to eliminate duplicates Z: 32 19.050 1.910 0.855 0.359 0.839 0.581 CB 1.340 32 residues pruned to eliminate duplicates Z: 22 15.835 1.928 0.609 0.407 0.905 0.667 CB 1.357 22 residues pruned to eliminate duplicates Z: 46 29.775 2.121 0.664 0.474 0.911 0.689 CB 1.418 46 residues pruned to eliminate duplicates Z: 7 5.903 1.587 0.033 0.848 1.000 0.833 CB 1.090 7 residues pruned to eliminate duplicates Z: 59 47.447 2.300 0.781 0.532 0.914 0.621 CB 1.614 59 residues pruned to eliminate duplicates Z: 11 35.256 2.219 1.062 0.912 1.000 0.700 CB 1.725 11 residues pruned to eliminate duplicates Z: 30 50.955 2.571 1.035 0.609 0.931 0.828 CB 1.752 30 residues pruned to eliminate duplicates Z: 10 14.673 1.810 0.489 0.891 1.000 0.889 CB 1.305 10 residues pruned to eliminate duplicates Z: 6 11.623 2.250 0.522 0.691 0.800 0.400 CA 1.594 6 residues pruned to eliminate duplicates Z: 90 53.928 2.231 0.888 0.456 0.933 0.618 CB 1.522 90 residues pruned to eliminate duplicates Z: 100 56.636 2.292 0.822 0.511 0.899 0.636 CB 1.499 100 residues pruned to eliminate duplicates Z: 36 31.945 2.224 0.846 0.491 0.857 0.629 CB 1.549 36 residues pruned to eliminate duplicates Z: 28 16.319 1.913 0.491 0.527 0.741 0.444 CB 1.447 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 17.839 1.735 0.755 0.686 0.938 0.812 CB 1.318 17 residues pruned to eliminate duplicates Z: 30 29.183 1.923 0.683 0.702 0.966 0.793 CB 1.442 51 residues pruned to eliminate duplicates Z: 30 29.157 1.933 0.681 0.694 0.966 0.759 CB 1.446 30 residues pruned to eliminate duplicates Z: 58 32.514 2.048 0.579 0.581 0.877 0.632 CB 1.405 58 residues pruned to eliminate duplicates Z: 17 16.245 1.748 0.680 0.653 0.938 0.688 CB 1.279 Z: 11 12.021 1.696 0.396 0.880 1.000 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 9 13.117 1.790 0.548 0.854 1.000 0.625 CB 1.237 10 residues pruned to eliminate duplicates Z: 10 13.689 1.764 0.597 0.879 1.000 0.667 CB 1.174 10 residues pruned to eliminate duplicates Z: 19 14.281 1.898 0.114 0.794 0.833 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 20 27.875 2.234 0.365 0.770 1.000 0.579 CB 1.651 21 residues pruned to eliminate duplicates Z: 14 31.635 2.271 0.749 0.783 0.923 0.615 CB 1.865 14 residues pruned to eliminate duplicates Z: 20 26.745 2.221 0.514 0.736 0.895 0.684 CB 1.649 20 residues pruned to eliminate duplicates Z: 22 22.725 2.132 0.346 0.668 0.905 0.619 CB 1.635 22 residues pruned to eliminate duplicates Z: 19 20.533 2.118 0.463 0.656 0.833 0.611 CB 1.622 19 residues pruned to eliminate duplicates Z: 20 26.476 2.195 0.422 0.738 0.947 0.526 CB 1.659 20 residues pruned to eliminate duplicates Z: 16 29.172 2.298 0.573 0.755 0.933 0.600 CB 1.778 16 residues pruned to eliminate duplicates Z: 22 20.723 2.108 0.440 0.669 0.810 0.429 CB 1.575 22 residues pruned to eliminate duplicates Z: 20 31.538 2.202 0.663 0.717 1.000 0.579 CB 1.623 20 residues pruned to eliminate duplicates Z: 14 30.865 2.175 0.755 0.823 1.000 0.769 CB 1.695 14 residues pruned to eliminate duplicates Z: 23 23.725 2.104 0.556 0.652 0.864 0.545 CB 1.553 23 residues pruned to eliminate duplicates Z: 20 23.395 2.146 0.621 0.655 0.842 0.474 CB 1.586 20 residues pruned to eliminate duplicates Z: 21 25.800 2.150 0.469 0.704 0.950 0.450 CB 1.597 21 residues pruned to eliminate duplicates Z: 16 25.273 2.286 0.320 0.739 1.000 0.667 CB 1.746 16 residues pruned to eliminate duplicates Z: 43 21.678 1.992 0.333 0.539 0.857 0.595 CB 1.415 43 residues pruned to eliminate duplicates Z: 39 24.384 2.043 0.539 0.560 0.842 0.658 CB 1.410 39 residues pruned to eliminate duplicates Z: 24 20.024 2.166 0.411 0.568 0.826 0.609 CB 1.548 24 residues pruned to eliminate duplicates Z: 26 25.014 2.158 0.566 0.642 0.840 0.720 CB 1.543 26 residues pruned to eliminate duplicates Z: 8 8.751 2.082 0.669 0.567 0.714 0.714 CB 1.249 8 residues pruned to eliminate duplicates Z: 36 22.705 2.054 0.501 0.573 0.829 0.714 CB 1.400 36 residues pruned to eliminate duplicates Z: 18 12.625 1.980 0.429 0.474 0.882 0.647 CB 1.259 18 residues pruned to eliminate duplicates Z: 28 26.386 2.153 0.566 0.641 0.889 0.630 CB 1.486 28 residues pruned to eliminate duplicates Z: 8 11.838 2.142 0.755 0.604 0.857 0.571 CB 1.257 8 residues pruned to eliminate duplicates Z: 40 24.370 2.021 0.513 0.573 0.872 0.641 CB 1.364 40 residues pruned to eliminate duplicates Z: 17 10.668 1.955 0.339 0.446 0.875 0.625 CB 1.231 17 residues pruned to eliminate duplicates Z: 33 14.528 1.773 0.396 0.490 0.875 0.562 CB 1.199 33 residues pruned to eliminate duplicates Z: 18 10.259 1.984 0.289 0.422 0.824 0.647 CB 1.282 18 residues pruned to eliminate duplicates Z: 9 6.679 1.805 0.203 0.503 0.875 0.750 CB 1.239 9 residues pruned to eliminate duplicates Z: 21 12.854 1.698 0.453 0.555 0.950 0.550 CB 1.163 21 residues pruned to eliminate duplicates Z: 22 13.823 1.747 0.426 0.590 0.905 0.714 CB 1.228 21 residues pruned to eliminate duplicates Z: 10 10.772 1.828 0.176 0.837 0.889 0.444 CB 1.406 10 residues pruned to eliminate duplicates Z: 21 11.460 1.763 0.396 0.566 0.850 0.450 CB 1.150 21 residues pruned to eliminate duplicates Z: 20 10.049 1.700 0.303 0.559 0.789 0.632 CB 1.245 20 residues pruned to eliminate duplicates Z: 9 8.956 1.689 0.532 0.770 0.750 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 8 5.339 1.625 0.274 0.348 0.857 0.429 CB 1.341 8 residues pruned to eliminate duplicates Z: 113 59.935 2.280 0.912 0.463 0.884 0.634 CB 1.526 113 residues pruned to eliminate duplicates Z: 41 35.156 2.122 0.948 0.443 0.950 0.600 CB 1.502 41 residues pruned to eliminate duplicates Z: 40 36.259 2.146 0.927 0.445 0.974 0.590 CB 1.526 40 residues pruned to eliminate duplicates Z: 129 59.160 2.197 0.760 0.491 0.930 0.594 CB 1.468 129 residues pruned to eliminate duplicates Z: 9 5.083 1.835 0.384 0.364 0.750 0.500 CB 1.092 9 residues pruned to eliminate duplicates Z: 90 49.246 2.220 0.799 0.455 0.910 0.562 CB 1.504 90 residues pruned to eliminate duplicates Z: 123 60.867 2.279 0.887 0.473 0.877 0.574 CB 1.502 123 residues pruned to eliminate duplicates Z: 26 14.208 1.897 0.733 0.304 0.920 0.480 CB 1.168 26 residues pruned to eliminate duplicates Z: 39 36.963 2.169 1.022 0.451 0.947 0.605 CB 1.518 39 residues pruned to eliminate duplicates Z: 41 35.720 2.116 0.927 0.466 0.950 0.650 CB 1.510 41 residues pruned to eliminate duplicates Z: 84 50.548 2.209 0.803 0.476 0.904 0.627 CB 1.580 84 residues pruned to eliminate duplicates Z: 69 49.021 2.250 0.856 0.489 0.926 0.618 CB 1.554 69 residues pruned to eliminate duplicates Z: 42 33.665 2.111 0.898 0.470 0.878 0.585 CB 1.541 42 residues pruned to eliminate duplicates Z: 38 31.666 2.187 0.777 0.477 0.865 0.622 CB 1.585 38 residues pruned to eliminate duplicates Z: 22 18.360 2.024 0.812 0.376 0.952 0.571 CB 1.309 22 residues pruned to eliminate duplicates Z: 88 45.709 2.205 0.772 0.470 0.897 0.609 CB 1.442 88 residues pruned to eliminate duplicates Z: 87 49.874 2.249 0.777 0.463 0.907 0.628 CB 1.541 87 residues pruned to eliminate duplicates Z: 43 32.517 2.083 0.924 0.441 0.905 0.595 CB 1.471 43 residues pruned to eliminate duplicates Z: 40 33.790 2.165 0.831 0.482 0.872 0.513 CB 1.595 40 residues pruned to eliminate duplicates Z: 68 34.325 2.033 0.742 0.474 0.851 0.537 CB 1.430 68 residues pruned to eliminate duplicates Z: 79 48.117 2.219 0.812 0.447 0.897 0.526 CB 1.594 79 residues pruned to eliminate duplicates Z: 29 42.794 2.297 1.103 0.530 0.929 0.607 CB 1.751 29 residues pruned to eliminate duplicates Z: 30 42.952 2.217 1.030 0.538 0.966 0.552 CB 1.769 30 residues pruned to eliminate duplicates Z: 71 49.395 2.206 0.915 0.482 0.929 0.600 CB 1.532 71 residues pruned to eliminate duplicates Z: 40 40.070 2.177 1.038 0.489 0.923 0.692 CB 1.584 40 residues pruned to eliminate duplicates Z: 90 50.388 2.222 0.826 0.454 0.899 0.596 CB 1.536 90 residues pruned to eliminate duplicates Z: 71 46.903 2.194 0.857 0.478 0.914 0.543 CB 1.539 71 residues pruned to eliminate duplicates Z: 108 62.960 2.310 0.870 0.472 0.907 0.570 CB 1.598 108 residues pruned to eliminate duplicates Z: 91 50.863 2.208 0.850 0.451 0.900 0.556 CB 1.533 91 residues pruned to eliminate duplicates Z: 42 36.334 2.125 0.952 0.455 0.902 0.610 CB 1.588 42 residues pruned to eliminate duplicates Z: 44 33.868 2.098 0.921 0.450 0.884 0.558 CB 1.527 44 residues pruned to eliminate duplicates Z: 25 33.204 2.194 1.039 0.478 0.875 0.500 CB 1.771 25 residues pruned to eliminate duplicates Z: 41 33.371 2.053 0.906 0.490 0.900 0.500 CB 1.514 41 residues pruned to eliminate duplicates Z: 29 41.461 2.221 1.201 0.448 1.000 0.607 CB 1.691 29 residues pruned to eliminate duplicates Z: 90 52.133 2.230 0.847 0.453 0.921 0.607 CB 1.528 90 residues pruned to eliminate duplicates Z: 94 58.385 2.309 0.867 0.504 0.903 0.591 CB 1.549 94 residues pruned to eliminate duplicates Z: 104 56.307 2.292 0.845 0.474 0.874 0.534 CB 1.541 104 residues pruned to eliminate duplicates Z: 50 35.944 2.291 0.755 0.453 0.898 0.571 CB 1.493 50 residues pruned to eliminate duplicates Z: 116 55.051 2.234 0.848 0.456 0.878 0.652 CB 1.482 116 residues pruned to eliminate duplicates Z: 81 47.038 2.240 0.777 0.483 0.863 0.588 CB 1.559 81 residues pruned to eliminate duplicates Z: 106 56.348 2.272 0.827 0.467 0.895 0.600 CB 1.531 106 residues pruned to eliminate duplicates Z: 77 45.522 2.244 0.877 0.443 0.855 0.553 CB 1.537 77 residues pruned to eliminate duplicates Z: 75 43.258 2.306 0.785 0.446 0.865 0.514 CB 1.494 75 residues pruned to eliminate duplicates Z: 45 36.895 2.291 0.646 0.494 0.977 0.614 CB 1.519 45 residues pruned to eliminate duplicates Z: 110 49.725 2.235 0.669 0.448 0.899 0.560 CB 1.498 110 residues pruned to eliminate duplicates Z: 67 42.598 2.186 0.837 0.452 0.924 0.591 CB 1.485 67 residues pruned to eliminate duplicates Z: 52 34.385 2.252 0.683 0.462 0.902 0.588 CB 1.463 52 residues pruned to eliminate duplicates Z: 106 45.263 2.113 0.614 0.503 0.924 0.571 CB 1.398 106 residues pruned to eliminate duplicates Z: 40 30.995 2.276 0.803 0.448 0.846 0.615 CB 1.509 40 residues pruned to eliminate duplicates Z: 51 37.110 2.250 0.676 0.455 0.960 0.560 CB 1.519 51 residues pruned to eliminate duplicates Z: 69 48.140 2.213 0.889 0.499 0.926 0.632 CB 1.509 69 residues pruned to eliminate duplicates Z: 34 27.218 2.259 0.567 0.430 0.909 0.667 CB 1.584 34 residues pruned to eliminate duplicates Z: 51 36.001 2.294 0.764 0.441 0.900 0.540 CB 1.485 51 residues pruned to eliminate duplicates Z: 51 33.984 2.275 0.703 0.447 0.900 0.580 CB 1.455 51 residues pruned to eliminate duplicates Z: 36 20.805 2.228 0.524 0.378 0.829 0.543 CB 1.424 36 residues pruned to eliminate duplicates Z: 87 53.570 2.252 0.842 0.472 0.919 0.651 CB 1.560 87 residues pruned to eliminate duplicates Z: 45 36.139 2.276 0.660 0.508 0.909 0.659 CB 1.574 45 residues pruned to eliminate duplicates Z: 92 46.242 2.183 0.797 0.440 0.868 0.527 CB 1.514 92 residues pruned to eliminate duplicates Z: 55 35.809 2.268 0.635 0.442 0.907 0.537 CB 1.537 55 residues pruned to eliminate duplicates Z: 93 45.506 2.167 0.759 0.473 0.880 0.652 CB 1.453 93 residues pruned to eliminate duplicates Z: 86 46.504 2.229 0.703 0.460 0.918 0.624 CB 1.509 86 residues pruned to eliminate duplicates Z: 72 48.412 2.317 0.792 0.474 0.915 0.606 CB 1.553 72 residues pruned to eliminate duplicates Z: 89 47.407 2.197 0.767 0.467 0.920 0.591 CB 1.462 89 residues pruned to eliminate duplicates Z: 92 45.936 2.193 0.818 0.423 0.868 0.527 CB 1.507 92 residues pruned to eliminate duplicates Z: 35 21.407 2.154 0.433 0.476 0.912 0.529 CB 1.338 35 residues pruned to eliminate duplicates Z: 21 15.245 2.181 0.511 0.319 0.850 0.400 CB 1.487 21 residues pruned to eliminate duplicates Z: 89 44.418 2.208 0.754 0.421 0.852 0.511 CB 1.558 89 residues pruned to eliminate duplicates Z: 83 46.966 2.168 0.828 0.484 0.890 0.598 CB 1.494 83 residues pruned to eliminate duplicates Z: 18 17.224 2.125 0.474 0.413 0.941 0.471 CB 1.553 18 residues pruned to eliminate duplicates Z: 21 17.239 2.200 0.529 0.326 0.950 0.650 CB 1.461 21 residues pruned to eliminate duplicates Z: 22 15.494 2.198 0.526 0.295 0.905 0.524 CB 1.402 22 residues pruned to eliminate duplicates Z: 83 46.767 2.182 0.818 0.472 0.915 0.622 CB 1.465 83 residues pruned to eliminate duplicates Z: 87 48.300 2.206 0.789 0.441 0.930 0.605 CB 1.507 87 residues pruned to eliminate duplicates Z: 35 21.070 2.237 0.422 0.389 0.853 0.529 CB 1.498 35 residues pruned to eliminate duplicates Z: 46 35.136 2.285 0.835 0.452 0.844 0.689 CB 1.553 46 residues pruned to eliminate duplicates Z: 36 20.399 2.175 0.446 0.369 0.914 0.571 CB 1.380 36 residues pruned to eliminate duplicates Z: 95 61.144 2.334 0.890 0.510 0.904 0.681 CB 1.565 95 residues pruned to eliminate duplicates Z: 98 52.852 2.190 0.832 0.461 0.928 0.639 CB 1.501 98 residues pruned to eliminate duplicates Z: 82 51.909 2.250 0.803 0.503 0.951 0.642 CB 1.491 82 residues pruned to eliminate duplicates Z: 8 7.880 1.986 0.452 0.212 1.000 0.286 CB 1.452 8 residues pruned to eliminate duplicates Z: 8 5.608 2.077 0.633 0.135 0.714 0.143 CB 1.378 8 residues pruned to eliminate duplicates Z: 73 40.317 2.244 0.893 0.435 0.861 0.528 CB 1.389 73 residues pruned to eliminate duplicates Z: 22 16.492 2.043 0.700 0.253 0.952 0.524 CB 1.445 22 residues pruned to eliminate duplicates Z: 49 34.790 2.225 0.858 0.434 0.875 0.542 CB 1.487 49 residues pruned to eliminate duplicates Z: 92 62.784 2.320 0.929 0.493 0.934 0.615 CB 1.586 92 residues pruned to eliminate duplicates Z: 33 32.570 2.298 1.012 0.439 0.844 0.594 CB 1.571 33 residues pruned to eliminate duplicates Z: 28 37.933 2.346 1.052 0.572 0.889 0.704 CB 1.592 28 residues pruned to eliminate duplicates Z: 40 40.081 2.326 0.954 0.480 0.872 0.462 CB 1.654 40 residues pruned to eliminate duplicates Z: 29 38.984 2.354 1.211 0.489 0.929 0.607 CB 1.541 29 residues pruned to eliminate duplicates Z: 26 40.384 2.432 1.072 0.584 0.920 0.680 CB 1.606 26 residues pruned to eliminate duplicates Z: 33 38.145 2.334 1.030 0.505 0.875 0.531 CB 1.618 33 residues pruned to eliminate duplicates Z: 26 39.875 2.446 1.093 0.581 0.920 0.640 CB 1.567 26 residues pruned to eliminate duplicates Z: 31 36.862 2.290 1.072 0.497 0.867 0.567 CB 1.641 31 residues pruned to eliminate duplicates Z: 27 36.711 2.379 1.063 0.542 0.885 0.615 CB 1.591 27 residues pruned to eliminate duplicates Z: 54 36.792 2.165 0.949 0.444 0.868 0.528 CB 1.462 54 residues pruned to eliminate duplicates Z: 77 48.457 2.243 0.674 0.550 0.934 0.645 CB 1.509 77 residues pruned to eliminate duplicates Z: 26 45.501 2.434 1.090 0.626 0.960 0.680 CB 1.656 26 residues pruned to eliminate duplicates Z: 40 38.854 2.204 0.831 0.568 0.949 0.641 CB 1.523 40 residues pruned to eliminate duplicates Z: 25 41.555 2.438 1.168 0.595 0.875 0.708 CB 1.675 25 residues pruned to eliminate duplicates Z: 41 44.116 2.372 1.102 0.538 0.925 0.700 CB 1.458 41 residues pruned to eliminate duplicates Z: 42 45.536 2.324 1.175 0.535 0.927 0.561 CB 1.466 42 residues pruned to eliminate duplicates Z: 54 30.550 2.106 0.940 0.390 0.868 0.377 CB 1.330 54 residues pruned to eliminate duplicates Z: 25 43.458 2.411 1.215 0.568 0.917 0.708 CB 1.696 25 residues pruned to eliminate duplicates Z: 69 42.937 2.214 0.667 0.523 0.941 0.618 CB 1.464 51 residues pruned to eliminate duplicates Z: 6 5.013 1.938 -0.108 0.565 1.000 0.800 CB 1.218 6 residues pruned to eliminate duplicates Z: 24 11.122 1.851 0.166 0.461 0.870 0.652 CB 1.287 24 residues pruned to eliminate duplicates Z: 46 37.121 2.265 0.868 0.479 0.867 0.533 CB 1.541 46 residues pruned to eliminate duplicates Z: 39 34.084 2.236 0.735 0.533 0.921 0.658 CB 1.498 39 residues pruned to eliminate duplicates Z: 38 35.360 2.238 0.846 0.527 0.892 0.486 CB 1.536 38 residues pruned to eliminate duplicates Z: 25 14.472 1.991 0.415 0.435 0.917 0.667 CB 1.224 25 residues pruned to eliminate duplicates Z: 75 47.081 2.260 0.687 0.546 0.919 0.622 CB 1.493 75 residues pruned to eliminate duplicates Z: 78 45.726 2.221 0.642 0.560 0.922 0.714 CB 1.463 78 residues pruned to eliminate duplicates Z: 94 48.188 2.195 0.676 0.479 0.925 0.624 CB 1.501 42 residues pruned to eliminate duplicates Z: 11 9.257 1.636 0.161 0.798 0.900 0.700 O 1.318 11 residues pruned to eliminate duplicates Z: 75 48.902 2.276 0.706 0.550 0.932 0.635 CB 1.495 75 residues pruned to eliminate duplicates Z: 49 36.062 2.211 0.594 0.547 0.958 0.771 CB 1.472 49 residues pruned to eliminate duplicates Z: 18 17.360 2.112 0.161 0.772 0.941 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 89 39.804 2.188 0.528 0.512 0.852 0.568 CB 1.471 89 residues pruned to eliminate duplicates Z: 101 42.688 2.144 0.649 0.470 0.910 0.560 CB 1.367 101 residues pruned to eliminate duplicates Z: 50 37.013 2.212 0.628 0.574 0.959 0.653 CB 1.425 50 residues pruned to eliminate duplicates Z: 40 34.214 2.196 0.816 0.538 0.949 0.564 CB 1.395 40 residues pruned to eliminate duplicates Z: 37 35.741 2.287 0.764 0.584 0.944 0.611 CB 1.442 37 residues pruned to eliminate duplicates Z: 74 47.736 2.255 0.742 0.532 0.959 0.589 CB 1.437 74 residues pruned to eliminate duplicates Z: 49 31.249 2.182 0.554 0.557 0.917 0.688 CB 1.374 49 residues pruned to eliminate duplicates Z: 48 33.702 2.219 0.602 0.521 0.957 0.638 CB 1.414 48 residues pruned to eliminate duplicates Z: 50 36.782 2.200 0.686 0.545 0.959 0.633 CB 1.414 50 residues pruned to eliminate duplicates Z: 51 30.632 2.201 0.481 0.509 0.920 0.600 CB 1.432 51 residues pruned to eliminate duplicates Z: 75 52.340 2.283 0.798 0.547 0.946 0.608 CB 1.497 75 residues pruned to eliminate duplicates Z: 94 42.090 2.161 0.688 0.463 0.882 0.527 CB 1.408 94 residues pruned to eliminate duplicates Z: 50 26.586 2.189 0.367 0.491 0.918 0.551 CB 1.396 50 residues pruned to eliminate duplicates Z: 38 33.640 2.282 0.678 0.564 0.919 0.649 CB 1.477 38 residues pruned to eliminate duplicates Z: 50 33.191 2.211 0.536 0.541 0.939 0.714 CB 1.429 50 residues pruned to eliminate duplicates Z: 39 32.816 2.275 0.713 0.539 0.947 0.632 CB 1.389 39 residues pruned to eliminate duplicates Z: 35 35.293 2.317 0.704 0.585 0.941 0.735 CB 1.501 35 residues pruned to eliminate duplicates Z: 41 29.193 2.214 0.675 0.534 0.850 0.650 CB 1.415 41 residues pruned to eliminate duplicates Z: 50 32.386 2.189 0.623 0.504 0.898 0.551 CB 1.445 50 residues pruned to eliminate duplicates Z: 40 34.741 2.217 0.842 0.520 0.923 0.641 CB 1.448 40 residues pruned to eliminate duplicates Z: 37 34.437 2.312 0.696 0.577 0.944 0.667 CB 1.439 37 residues pruned to eliminate duplicates Z: 37 32.215 2.283 0.636 0.566 0.944 0.639 CB 1.428 37 residues pruned to eliminate duplicates Z: 73 52.449 2.299 0.854 0.558 0.931 0.597 CB 1.474 73 residues pruned to eliminate duplicates Z: 51 33.429 2.190 0.569 0.519 0.940 0.620 CB 1.436 51 residues pruned to eliminate duplicates Z: 39 36.096 2.261 0.828 0.559 0.921 0.737 CB 1.452 39 residues pruned to eliminate duplicates Z: 39 30.310 2.233 0.712 0.539 0.868 0.632 CB 1.426 39 residues pruned to eliminate duplicates Z: 73 47.361 2.246 0.830 0.506 0.917 0.597 CB 1.472 73 residues pruned to eliminate duplicates Z: 50 37.551 2.188 0.730 0.556 0.939 0.653 CB 1.429 50 residues pruned to eliminate duplicates Z: 50 34.542 2.196 0.634 0.534 0.939 0.592 CB 1.416 50 residues pruned to eliminate duplicates Z: 49 39.435 2.214 0.710 0.586 0.979 0.750 CB 1.414 49 residues pruned to eliminate duplicates Z: 49 32.484 2.167 0.584 0.552 0.917 0.625 CB 1.417 49 residues pruned to eliminate duplicates Z: 18 29.642 2.362 0.569 0.735 0.941 0.588 CB 1.668 18 residues pruned to eliminate duplicates Z: 22 22.262 2.214 0.514 0.595 0.810 0.524 CB 1.635 22 residues pruned to eliminate duplicates Z: 59 34.786 2.102 0.467 0.607 0.897 0.690 CB 1.492 75 residues pruned to eliminate duplicates Z: 21 22.553 2.201 0.548 0.636 0.850 0.600 CB 1.533 21 residues pruned to eliminate duplicates Z: 19 28.932 2.275 0.601 0.720 1.000 0.667 CB 1.535 21 residues pruned to eliminate duplicates Z: 15 25.942 2.314 0.540 0.782 1.000 0.714 CB 1.518 15 residues pruned to eliminate duplicates Z: 20 24.094 2.221 0.710 0.606 0.895 0.579 CB 1.472 20 residues pruned to eliminate duplicates Z: 16 25.169 2.262 0.557 0.768 1.000 0.667 CB 1.455 16 residues pruned to eliminate duplicates Z: 115 78.065 2.479 0.847 0.519 0.877 0.544 CB 1.786 115 residues pruned to eliminate duplicates Z: 18 28.558 2.355 0.539 0.729 0.941 0.647 CB 1.651 18 residues pruned to eliminate duplicates Z: 25 19.559 2.021 0.475 0.503 0.917 0.750 CB 1.457 25 residues pruned to eliminate duplicates Z: 18 29.223 2.325 0.486 0.730 1.000 0.588 CB 1.668 18 residues pruned to eliminate duplicates Z: 35 23.143 2.101 0.626 0.474 0.824 0.559 CB 1.448 35 residues pruned to eliminate duplicates Z: 20 26.202 2.250 0.463 0.680 1.000 0.632 CB 1.547 20 residues pruned to eliminate duplicates Z: 57 33.486 2.081 0.596 0.571 0.893 0.589 CB 1.409 57 residues pruned to eliminate duplicates Z: 28 32.063 2.351 0.697 0.635 0.852 0.704 CB 1.600 28 residues pruned to eliminate duplicates Z: 28 29.132 2.347 0.565 0.610 0.889 0.593 CB 1.546 28 residues pruned to eliminate duplicates Z: 7 7.949 1.761 0.941 0.394 0.833 0.333 CA 1.275 7 residues pruned to eliminate duplicates Z: 58 38.256 2.107 0.539 0.622 0.947 0.632 CB 1.470 58 residues pruned to eliminate duplicates Z: 11 10.822 2.215 0.773 0.378 0.700 0.600 CB 1.417 11 residues pruned to eliminate duplicates Z: 27 28.723 2.364 0.538 0.610 0.885 0.769 CB 1.578 27 residues pruned to eliminate duplicates Z: 42 26.167 1.966 0.623 0.529 0.878 0.683 CB 1.417 42 residues pruned to eliminate duplicates Z: 60 31.967 2.057 0.494 0.593 0.915 0.627 CB 1.354 60 residues pruned to eliminate duplicates Z: 58 33.474 2.111 0.443 0.588 0.912 0.649 CB 1.467 58 residues pruned to eliminate duplicates Z: 59 35.199 2.079 0.516 0.586 0.931 0.603 CB 1.450 59 residues pruned to eliminate duplicates Z: 28 25.499 1.983 0.557 0.644 0.926 0.778 CB 1.501 28 residues pruned to eliminate duplicates Z: 56 31.701 2.076 0.573 0.552 0.873 0.618 CB 1.425 56 residues pruned to eliminate duplicates Z: 41 22.776 1.959 0.479 0.563 0.900 0.725 CB 1.299 41 residues pruned to eliminate duplicates Z: 29 28.675 1.964 0.555 0.681 1.000 0.786 CB 1.503 29 residues pruned to eliminate duplicates Z: 45 30.837 2.169 0.612 0.551 0.841 0.591 CB 1.505 45 residues pruned to eliminate duplicates Z: 31 23.022 1.882 0.506 0.644 0.933 0.733 CB 1.389 31 residues pruned to eliminate duplicates Z: 30 25.431 1.923 0.553 0.661 0.966 0.724 CB 1.411 30 residues pruned to eliminate duplicates Z: 57 32.704 2.120 0.549 0.568 0.857 0.661 CB 1.454 57 residues pruned to eliminate duplicates Z: 30 25.190 1.931 0.433 0.673 0.966 0.793 CB 1.492 30 residues pruned to eliminate duplicates Z: 20 25.084 2.051 0.555 0.610 1.000 0.684 CB 1.626 20 residues pruned to eliminate duplicates Z: 62 31.243 2.015 0.709 0.490 0.869 0.672 CB 1.351 62 residues pruned to eliminate duplicates Z: 61 39.231 2.231 0.604 0.460 0.917 0.500 CB 1.608 61 residues pruned to eliminate duplicates Z: 139 71.080 2.411 0.755 0.459 0.870 0.558 CB 1.715 139 residues pruned to eliminate duplicates Z: 115 64.225 2.389 0.769 0.443 0.895 0.570 CB 1.687 115 residues pruned to eliminate duplicates Z: 48 37.074 2.292 0.673 0.449 0.872 0.553 CB 1.704 48 residues pruned to eliminate duplicates Z: 11 16.517 2.065 0.549 0.548 1.000 0.800 CB 1.558 11 residues pruned to eliminate duplicates Z: 44 39.394 2.334 0.636 0.466 0.953 0.628 CB 1.709 44 residues pruned to eliminate duplicates Z: 19 13.714 2.112 0.389 0.371 0.944 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 99 60.936 2.412 0.727 0.440 0.908 0.592 CB 1.730 99 residues pruned to eliminate duplicates Z: 114 80.353 2.486 0.925 0.482 0.903 0.593 CB 1.781 114 residues pruned to eliminate duplicates Z: 27 24.616 2.229 0.720 0.351 0.962 0.654 CB 1.538 27 residues pruned to eliminate duplicates Z: 91 69.275 2.504 0.787 0.465 0.933 0.567 CB 1.811 91 residues pruned to eliminate duplicates Z: 33 21.942 2.075 0.538 0.459 0.844 0.562 CB 1.502 33 residues pruned to eliminate duplicates Z: 45 46.158 2.377 0.856 0.481 0.932 0.659 CB 1.726 45 residues pruned to eliminate duplicates Z: 58 42.204 2.265 0.632 0.484 0.947 0.561 CB 1.623 58 residues pruned to eliminate duplicates Z: 45 36.150 2.309 0.646 0.458 0.886 0.500 CB 1.689 45 residues pruned to eliminate duplicates Z: 114 79.683 2.485 0.874 0.502 0.920 0.611 CB 1.746 114 residues pruned to eliminate duplicates Z: 113 77.554 2.466 0.926 0.476 0.911 0.545 CB 1.736 113 residues pruned to eliminate duplicates Z: 89 72.314 2.475 1.011 0.462 0.920 0.591 CB 1.750 89 residues pruned to eliminate duplicates Z: 28 25.851 2.251 0.796 0.341 0.926 0.630 CB 1.579 28 residues pruned to eliminate duplicates Z: 137 74.795 2.376 0.887 0.464 0.890 0.574 CB 1.667 137 residues pruned to eliminate duplicates Z: 44 39.123 2.349 0.658 0.464 0.953 0.535 CB 1.668 44 residues pruned to eliminate duplicates Z: 28 23.583 2.179 0.799 0.360 0.889 0.519 CB 1.515 28 residues pruned to eliminate duplicates Z: 85 73.431 2.484 0.904 0.490 0.940 0.607 CB 1.819 85 residues pruned to eliminate duplicates Z: 113 79.290 2.494 0.887 0.495 0.902 0.571 CB 1.775 113 residues pruned to eliminate duplicates Z: 93 67.257 2.457 0.908 0.461 0.880 0.576 CB 1.769 93 residues pruned to eliminate duplicates Z: 114 76.296 2.462 0.903 0.492 0.903 0.549 CB 1.710 114 residues pruned to eliminate duplicates Z: 47 34.783 2.277 0.711 0.444 0.913 0.522 CB 1.528 47 residues pruned to eliminate duplicates Z: 26 31.981 2.323 0.654 0.471 0.920 0.600 CB 1.863 26 residues pruned to eliminate duplicates Z: 24 29.162 2.434 0.789 0.468 0.826 0.435 CB 1.746 24 residues pruned to eliminate duplicates Z: 44 51.907 2.372 0.935 0.513 1.000 0.651 CB 1.704 44 residues pruned to eliminate duplicates Z: 43 39.745 2.346 0.648 0.443 0.976 0.571 CB 1.723 43 residues pruned to eliminate duplicates Z: 47 45.462 2.343 0.884 0.480 0.935 0.652 CB 1.658 47 residues pruned to eliminate duplicates Z: 28 37.128 2.433 0.712 0.559 0.963 0.630 CB 1.682 28 residues pruned to eliminate duplicates Z: 47 42.553 2.329 0.782 0.478 0.913 0.543 CB 1.693 47 residues pruned to eliminate duplicates Z: 92 71.185 2.497 0.911 0.459 0.912 0.593 CB 1.787 92 residues pruned to eliminate duplicates Z: 44 46.460 2.349 0.826 0.481 0.977 0.651 CB 1.724 44 residues pruned to eliminate duplicates Z: 65 67.178 2.585 0.896 0.505 0.906 0.594 CB 1.881 65 residues pruned to eliminate duplicates Z: 89 76.541 2.501 1.055 0.468 0.909 0.614 CB 1.804 89 residues pruned to eliminate duplicates Z: 46 43.848 2.293 0.925 0.486 0.933 0.533 CB 1.609 46 residues pruned to eliminate duplicates Z: 46 45.780 2.326 0.873 0.465 0.933 0.556 CB 1.740 46 residues pruned to eliminate duplicates Z: 47 49.014 2.336 0.953 0.487 0.957 0.630 CB 1.678 47 residues pruned to eliminate duplicates Z: 40 40.769 2.341 0.908 0.419 0.897 0.538 CB 1.772 40 residues pruned to eliminate duplicates Z: 88 74.946 2.496 0.993 0.465 0.931 0.575 CB 1.798 88 residues pruned to eliminate duplicates Z: 105 72.356 2.430 0.869 0.463 0.913 0.567 CB 1.776 105 residues pruned to eliminate duplicates Z: 89 73.911 2.496 0.940 0.482 0.920 0.648 CB 1.800 89 residues pruned to eliminate duplicates Z: 50 51.298 2.559 0.949 0.444 0.878 0.571 CB 1.774 50 residues pruned to eliminate duplicates Z: 73 63.217 2.559 0.973 0.476 0.875 0.528 CB 1.728 73 residues pruned to eliminate duplicates Z: 72 64.721 2.561 0.939 0.489 0.873 0.648 CB 1.792 72 residues pruned to eliminate duplicates Z: 73 60.010 2.482 0.960 0.458 0.889 0.556 CB 1.706 73 residues pruned to eliminate duplicates Z: 48 60.516 2.610 1.096 0.458 0.894 0.596 CB 1.886 48 residues pruned to eliminate duplicates Z: 71 60.889 2.565 0.857 0.488 0.843 0.657 CB 1.835 71 residues pruned to eliminate duplicates Z: 89 63.493 2.460 0.935 0.459 0.852 0.500 CB 1.739 89 residues pruned to eliminate duplicates Z: 47 57.596 2.574 0.943 0.456 0.935 0.565 CB 1.901 47 residues pruned to eliminate duplicates Z: 113 83.219 2.502 0.929 0.513 0.911 0.616 CB 1.766 113 residues pruned to eliminate duplicates Z: 38 66.833 2.662 1.000 0.543 0.973 0.676 CB 2.034 38 residues pruned to eliminate duplicates Z: 86 68.700 2.477 0.928 0.493 0.882 0.612 CB 1.780 86 residues pruned to eliminate duplicates Z: 92 73.702 2.447 0.969 0.472 0.945 0.626 CB 1.745 92 residues pruned to eliminate duplicates Z: 44 59.589 2.614 1.042 0.471 0.884 0.535 CB 1.985 44 residues pruned to eliminate duplicates Z: 50 58.669 2.603 1.031 0.472 0.878 0.592 CB 1.860 50 residues pruned to eliminate duplicates Z: 115 66.157 2.392 0.862 0.451 0.860 0.623 CB 1.702 115 residues pruned to eliminate duplicates Z: 156 79.186 2.393 0.815 0.482 0.897 0.542 CB 1.663 156 residues pruned to eliminate duplicates Z: 36 43.898 2.530 0.921 0.390 0.914 0.600 CB 1.876 36 residues pruned to eliminate duplicates Z: 92 77.809 2.554 0.934 0.498 0.923 0.516 CB 1.792 92 residues pruned to eliminate duplicates Z: 34 48.097 2.646 1.009 0.441 0.848 0.606 CB 1.972 34 residues pruned to eliminate duplicates Z: 102 66.566 2.385 0.936 0.466 0.861 0.564 CB 1.724 102 residues pruned to eliminate duplicates Z: 91 63.438 2.442 0.928 0.452 0.867 0.522 CB 1.722 91 residues pruned to eliminate duplicates Z: 35 44.094 2.549 0.997 0.428 0.853 0.529 CB 1.877 35 residues pruned to eliminate duplicates Z: 38 35.646 2.436 0.848 0.382 0.865 0.486 CB 1.707 38 residues pruned to eliminate duplicates Z: 52 49.141 2.530 0.893 0.431 0.843 0.549 CB 1.831 52 residues pruned to eliminate duplicates Z: 67 73.212 2.602 0.998 0.515 0.939 0.636 CB 1.818 67 residues pruned to eliminate duplicates Z: 90 77.452 2.495 1.014 0.479 0.933 0.607 CB 1.789 90 residues pruned to eliminate duplicates Z: 48 46.662 2.461 0.929 0.430 0.872 0.511 CB 1.767 48 residues pruned to eliminate duplicates Z: 115 78.378 2.471 0.955 0.474 0.895 0.614 CB 1.743 115 residues pruned to eliminate duplicates Z: 93 77.024 2.537 0.961 0.497 0.902 0.576 CB 1.795 93 residues pruned to eliminate duplicates Z: 36 43.511 2.453 0.957 0.458 0.886 0.514 CB 1.805 36 residues pruned to eliminate duplicates Z: 49 59.201 2.556 1.037 0.467 0.917 0.604 CB 1.852 49 residues pruned to eliminate duplicates Z: 25 30.300 2.460 1.073 0.319 0.833 0.500 CB 1.778 25 residues pruned to eliminate duplicates Z: 92 74.472 2.483 1.021 0.479 0.901 0.626 CB 1.763 92 residues pruned to eliminate duplicates Z: 65 74.249 2.597 1.066 0.510 0.922 0.719 CB 1.858 65 residues pruned to eliminate duplicates Z: 50 60.658 2.559 1.091 0.473 0.918 0.633 CB 1.812 50 residues pruned to eliminate duplicates Z: 65 63.434 2.485 1.033 0.491 0.922 0.625 CB 1.718 65 residues pruned to eliminate duplicates Z: 35 47.592 2.539 1.015 0.442 0.912 0.618 CB 1.858 35 residues pruned to eliminate duplicates Z: 36 43.048 2.511 1.010 0.418 0.914 0.543 CB 1.718 36 residues pruned to eliminate duplicates Z: 28 25.448 2.319 1.079 0.285 0.852 0.296 CB 1.519 28 residues pruned to eliminate duplicates Z: 25 34.042 2.443 1.137 0.360 0.917 0.583 CB 1.689 25 residues pruned to eliminate duplicates Z: 73 66.836 2.529 1.041 0.490 0.917 0.542 CB 1.681 73 residues pruned to eliminate duplicates Z: 8 6.567 2.318 0.918 0.149 0.714 0.571 CB 1.204 8 residues pruned to eliminate duplicates Z: 78 73.128 2.511 1.126 0.519 0.870 0.610 CB 1.760 78 residues pruned to eliminate duplicates Z: 36 36.465 2.457 0.809 0.406 0.857 0.514 CB 1.785 36 residues pruned to eliminate duplicates Z: 71 56.586 2.454 1.032 0.412 0.886 0.500 CB 1.679 71 residues pruned to eliminate duplicates Z: 30 35.367 2.512 0.725 0.534 0.862 0.621 CB 1.701 30 residues pruned to eliminate duplicates Z: 30 27.251 2.366 0.677 0.490 0.793 0.517 CB 1.624 30 residues pruned to eliminate duplicates Z: 75 66.742 2.546 0.938 0.503 0.892 0.622 CB 1.758 75 residues pruned to eliminate duplicates Z: 31 30.132 2.381 0.665 0.554 0.833 0.633 CB 1.580 31 residues pruned to eliminate duplicates Z: 25 38.186 2.536 0.820 0.590 0.917 0.583 CB 1.690 25 residues pruned to eliminate duplicates Z: 30 33.696 2.422 0.693 0.529 0.862 0.655 CB 1.722 30 residues pruned to eliminate duplicates Z: 99 76.491 2.449 0.995 0.522 0.918 0.684 CB 1.685 99 residues pruned to eliminate duplicates Z: 63 62.858 2.488 0.861 0.516 0.952 0.661 CB 1.783 63 residues pruned to eliminate duplicates Z: 26 40.600 2.504 0.916 0.578 0.920 0.640 CB 1.706 26 residues pruned to eliminate duplicates Z: 26 34.991 2.508 0.794 0.586 0.840 0.640 CB 1.706 26 residues pruned to eliminate duplicates Z: 28 32.821 2.405 0.733 0.554 0.852 0.630 CB 1.687 28 residues pruned to eliminate duplicates Z: 60 61.558 2.509 0.930 0.555 0.864 0.678 CB 1.815 60 residues pruned to eliminate duplicates Z: 26 39.365 2.507 0.783 0.599 0.880 0.680 CB 1.821 26 residues pruned to eliminate duplicates Z: 31 32.664 2.393 0.726 0.540 0.867 0.633 CB 1.601 31 residues pruned to eliminate duplicates Z: 27 41.422 2.456 0.847 0.559 0.962 0.577 CB 1.759 27 residues pruned to eliminate duplicates Z: 60 58.494 2.462 0.931 0.534 0.915 0.593 CB 1.692 60 residues pruned to eliminate duplicates Z: 14 15.736 2.210 0.892 0.352 0.846 0.692 CB 1.448 14 residues pruned to eliminate duplicates Z: 27 34.878 2.481 0.877 0.575 0.846 0.692 CB 1.614 27 residues pruned to eliminate duplicates Z: 26 39.958 2.502 0.870 0.579 0.920 0.720 CB 1.721 26 residues pruned to eliminate duplicates Z: 100 74.194 2.445 1.035 0.516 0.869 0.566 CB 1.699 100 residues pruned to eliminate duplicates Z: 60 53.417 2.477 0.892 0.461 0.847 0.627 CB 1.821 34 residues pruned to eliminate duplicates 371 residues left after pruning, divided into chains as follows: A: 16 B: 17 C: 47 D: 24 E: 102 F: 9 G: 156 CC for partial structure against native data = 38.18 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.568, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.649, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.769, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.777, Connect. = 0.809 for dens.mod. cycle 4 = 0.300, Contrast = 0.789, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.792, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.797, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.798, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.800, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.800, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2145 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 520 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 24.373 2.124 0.416 0.879 1.000 0.750 CA 1.696 B: 14 29.436 2.239 0.661 0.904 1.000 0.846 CB 1.563 C: 12 36.037 2.366 0.721 0.892 1.000 0.818 CA 1.917 13 residues pruned to eliminate duplicates D: 12 27.440 2.446 0.435 0.879 0.909 0.727 CA 1.880 12 residues pruned to eliminate duplicates E: 17 29.168 2.148 0.660 0.827 0.875 0.688 CA 1.762 17 residues pruned to eliminate duplicates F: 32 43.861 2.290 0.865 0.746 0.968 0.484 CB 1.530 12 residues pruned to eliminate duplicates G: 18 28.852 2.140 0.602 0.846 0.824 0.588 CA 1.841 18 residues pruned to eliminate duplicates H: 15 39.872 2.221 0.827 0.902 1.000 1.000 CB 1.873 I: 38 44.748 2.464 0.858 0.476 0.892 0.568 CB 1.845 16 residues pruned to eliminate duplicates J: 15 38.532 2.145 1.176 0.901 0.929 0.857 CB 1.696 14 residues pruned to eliminate duplicates K: 11 31.405 2.559 0.648 0.891 1.000 0.900 CA 1.692 11 residues pruned to eliminate duplicates L: 12 26.954 2.301 0.425 0.939 1.000 1.000 CB 1.722 M: 13 23.644 2.230 0.354 0.890 1.000 0.917 CA 1.626 13 residues pruned to eliminate duplicates N: 31 35.930 2.321 0.712 0.608 1.000 0.500 CB 1.490 O: 6 6.884 2.159 0.188 0.629 0.800 0.600 CA 1.329 6 residues pruned to eliminate duplicates P: 16 34.049 2.329 0.827 0.870 0.933 0.667 CB 1.616 Q: 16 22.224 2.194 0.325 0.838 0.867 0.800 CA 1.703 16 residues pruned to eliminate duplicates R: 17 25.065 2.105 0.523 0.823 0.875 0.625 CB 1.687 17 residues pruned to eliminate duplicates S: 16 26.447 2.132 0.762 0.901 0.933 0.800 CB 1.390 16 residues pruned to eliminate duplicates T: 13 31.621 2.186 0.879 0.885 1.000 0.833 CA 1.605 U: 14 37.858 2.410 1.067 0.923 0.923 0.615 CB 1.605 14 residues pruned to eliminate duplicates V: 15 29.564 2.162 0.651 0.870 1.000 0.929 CB 1.616 15 residues pruned to eliminate duplicates W: 12 36.774 2.317 1.010 0.869 1.000 0.727 CA 1.739 12 residues pruned to eliminate duplicates X: 17 29.919 2.077 1.059 0.819 0.938 0.688 CB 1.414 17 residues pruned to eliminate duplicates Y: 17 23.268 2.140 0.562 0.818 0.812 0.688 CA 1.625 Z: 15 31.266 2.138 0.630 0.886 1.000 0.786 CA 1.731 15 residues pruned to eliminate duplicates Z: 9 13.154 1.810 0.685 0.608 0.875 0.625 CA 1.573 Z: 14 33.573 2.274 0.811 0.868 0.923 0.692 CB 1.790 14 residues pruned to eliminate duplicates Z: 13 25.811 2.288 0.310 0.869 1.000 0.833 CB 1.816 13 residues pruned to eliminate duplicates Z: 15 31.358 2.275 0.782 0.852 0.929 0.714 CB 1.646 15 residues pruned to eliminate duplicates Z: 26 28.816 2.419 0.968 0.312 0.880 0.480 CB 1.695 26 residues pruned to eliminate duplicates Z: 13 28.504 2.196 0.524 0.928 1.000 0.833 CA 1.722 13 residues pruned to eliminate duplicates Z: 7 9.597 2.012 0.436 0.828 0.667 0.500 CB 1.531 7 residues pruned to eliminate duplicates Z: 12 23.919 2.332 0.429 0.892 1.000 0.727 CB 1.554 12 residues pruned to eliminate duplicates Z: 13 35.436 2.360 0.706 0.909 1.000 0.833 CB 1.803 13 residues pruned to eliminate duplicates Z: 17 27.889 2.367 0.908 0.575 1.000 0.750 CB 1.436 Z: 10 31.460 2.679 0.538 0.885 0.889 0.889 CA 2.068 10 residues pruned to eliminate duplicates Z: 26 42.014 2.542 0.853 0.600 0.920 0.720 CB 1.764 14 residues pruned to eliminate duplicates Z: 13 35.572 2.449 0.773 0.920 1.000 0.750 CB 1.666 13 residues pruned to eliminate duplicates Z: 15 30.429 2.129 0.888 0.843 0.857 0.714 CB 1.757 15 residues pruned to eliminate duplicates Z: 17 23.774 2.128 0.588 0.839 0.812 0.562 CB 1.616 17 residues pruned to eliminate duplicates Z: 12 14.874 1.909 0.432 0.809 0.818 0.636 CA 1.531 Z: 15 24.791 2.113 0.645 0.847 1.000 0.714 CB 1.416 15 residues pruned to eliminate duplicates Z: 8 21.504 2.486 0.431 0.864 0.857 0.714 CA 1.954 8 residues pruned to eliminate duplicates Z: 12 15.301 2.392 0.824 0.398 0.818 0.545 CB 1.439 12 residues pruned to eliminate duplicates Z: 12 30.714 2.478 0.692 0.861 0.818 0.727 CA 1.984 12 residues pruned to eliminate duplicates Z: 11 20.242 2.125 0.586 0.826 0.900 0.600 CB 1.591 11 residues pruned to eliminate duplicates Z: 18 26.996 2.240 0.476 0.804 1.000 0.882 CB 1.518 18 residues pruned to eliminate duplicates Z: 17 20.888 2.084 0.571 0.782 0.812 0.562 CB 1.532 17 residues pruned to eliminate duplicates Z: 6 4.149 1.858 0.001 0.668 0.800 0.600 CA 1.068 Z: 18 26.354 2.137 0.761 0.741 0.824 0.706 CA 1.662 18 residues pruned to eliminate duplicates Z: 38 34.192 2.253 0.740 0.591 0.946 0.568 CB 1.390 32 residues pruned to eliminate duplicates Z: 18 21.386 2.239 0.280 0.832 0.941 0.765 CB 1.444 18 residues pruned to eliminate duplicates Z: 18 22.673 2.092 0.390 0.794 0.941 0.706 CB 1.552 18 residues pruned to eliminate duplicates Z: 14 31.211 2.313 0.520 0.913 1.000 0.769 CA 1.743 15 residues pruned to eliminate duplicates Z: 32 36.578 2.401 0.842 0.519 0.871 0.581 CB 1.673 31 residues pruned to eliminate duplicates Z: 17 25.701 2.080 0.529 0.837 0.938 0.625 CA 1.612 17 residues pruned to eliminate duplicates Z: 21 21.997 2.231 0.369 0.803 0.950 0.600 CB 1.301 21 residues pruned to eliminate duplicates Z: 34 32.341 2.213 0.742 0.578 0.939 0.758 CB 1.442 40 residues pruned to eliminate duplicates Z: 114 55.309 2.225 0.855 0.457 0.885 0.531 CB 1.488 34 residues pruned to eliminate duplicates Z: 14 38.263 2.281 0.893 0.921 1.000 0.923 CB 1.730 14 residues pruned to eliminate duplicates Z: 16 22.104 1.991 0.498 0.850 0.933 0.800 CB 1.519 16 residues pruned to eliminate duplicates Z: 44 27.462 2.103 0.529 0.516 0.930 0.535 CB 1.378 32 residues pruned to eliminate duplicates Z: 69 62.915 2.529 0.759 0.483 0.926 0.618 CB 1.883 90 residues pruned to eliminate duplicates Z: 8 13.628 1.874 0.910 0.611 0.857 0.429 CA 1.512 8 residues pruned to eliminate duplicates Z: 15 30.437 2.252 0.784 0.910 1.000 0.786 CB 1.436 Z: 12 31.784 2.346 0.577 0.930 1.000 0.727 CA 1.812 12 residues pruned to eliminate duplicates Z: 9 9.460 1.936 0.994 0.444 0.750 0.625 CB 1.223 Z: 14 25.928 2.251 1.010 0.767 0.769 0.538 CB 1.631 14 residues pruned to eliminate duplicates Z: 17 35.544 2.220 0.771 0.840 1.000 0.812 CB 1.686 17 residues pruned to eliminate duplicates Z: 49 60.766 2.574 0.910 0.506 0.958 0.583 CB 1.849 52 residues pruned to eliminate duplicates Z: 10 17.055 2.068 0.581 0.747 0.778 0.778 CA 1.792 11 residues pruned to eliminate duplicates Z: 16 21.907 2.172 0.483 0.920 1.000 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 58 63.044 2.499 0.975 0.550 0.895 0.632 CB 1.801 74 residues pruned to eliminate duplicates Z: 23 26.197 2.337 0.919 0.475 0.864 0.636 CB 1.479 23 residues pruned to eliminate duplicates Z: 89 67.531 2.485 0.769 0.469 0.932 0.636 CB 1.813 67 residues pruned to eliminate duplicates Z: 20 42.588 2.414 1.000 0.706 0.947 0.632 CB 1.772 20 residues pruned to eliminate duplicates Z: 128 72.582 2.439 0.716 0.495 0.890 0.622 CB 1.737 112 residues pruned to eliminate duplicates Z: 18 29.910 2.212 0.814 0.819 0.941 0.471 CB 1.456 18 residues pruned to eliminate duplicates Z: 14 20.254 2.359 0.792 0.868 0.692 0.385 CB 1.404 14 residues pruned to eliminate duplicates Z: 13 26.613 2.171 0.912 0.828 0.833 0.750 CA 1.671 13 residues pruned to eliminate duplicates Z: 13 30.195 2.229 0.703 0.913 1.000 0.917 CA 1.625 13 residues pruned to eliminate duplicates Z: 53 30.264 2.144 0.543 0.496 0.942 0.692 CB 1.351 49 residues pruned to eliminate duplicates Z: 40 56.827 2.632 0.864 0.536 0.923 0.615 CB 1.938 40 residues pruned to eliminate duplicates Z: 72 66.932 2.588 0.923 0.500 0.887 0.634 CB 1.798 73 residues pruned to eliminate duplicates Z: 76 57.039 2.529 0.803 0.504 0.813 0.613 CB 1.769 76 residues pruned to eliminate duplicates Z: 14 17.906 2.128 0.337 0.775 0.923 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 19 26.519 2.146 0.708 0.798 1.000 0.611 CB 1.314 19 residues pruned to eliminate duplicates Z: 14 25.158 2.136 0.472 0.885 0.923 0.769 CB 1.736 14 residues pruned to eliminate duplicates Z: 16 30.127 2.198 0.770 0.911 1.000 0.800 CB 1.417 14 residues pruned to eliminate duplicates Z: 44 39.657 2.346 0.707 0.479 0.907 0.581 CB 1.700 44 residues pruned to eliminate duplicates Z: 16 29.286 2.367 0.794 0.789 0.867 0.667 CB 1.593 16 residues pruned to eliminate duplicates Z: 27 19.682 2.173 0.557 0.585 0.808 0.500 CB 1.302 27 residues pruned to eliminate duplicates Z: 14 22.917 2.214 0.494 0.849 0.923 0.846 CB 1.543 14 residues pruned to eliminate duplicates Z: 12 36.059 2.362 1.113 0.824 0.909 0.727 CB 1.810 12 residues pruned to eliminate duplicates Z: 11 12.865 2.062 0.256 0.767 0.900 0.800 CB 1.378 11 residues pruned to eliminate duplicates Z: 25 20.230 2.113 0.544 0.558 0.833 0.542 CB 1.436 15 residues pruned to eliminate duplicates Z: 119 72.180 2.379 0.896 0.469 0.915 0.610 CB 1.660 109 residues pruned to eliminate duplicates Z: 13 35.443 2.133 1.292 0.838 1.000 0.917 CB 1.565 13 residues pruned to eliminate duplicates Z: 58 37.477 2.064 0.630 0.608 0.912 0.719 CB 1.459 55 residues pruned to eliminate duplicates Z: 6 5.122 1.952 0.313 0.572 0.800 0.600 CB 1.042 Z: 26 32.837 2.415 0.778 0.604 0.920 0.560 CB 1.505 26 residues pruned to eliminate duplicates Z: 11 16.372 2.082 0.488 0.792 0.800 0.600 CB 1.616 11 residues pruned to eliminate duplicates Z: 58 45.515 2.428 0.836 0.481 0.807 0.596 CB 1.708 58 residues pruned to eliminate duplicates Z: 7 13.211 2.130 0.558 0.479 1.000 0.500 CB 1.660 7 residues pruned to eliminate duplicates Z: 8 11.370 1.738 0.684 0.723 0.857 0.714 CA 1.402 8 residues pruned to eliminate duplicates Z: 16 27.020 2.044 0.805 0.832 0.933 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 14 31.902 2.348 1.014 0.914 0.923 0.462 CB 1.434 14 residues pruned to eliminate duplicates Z: 15 24.634 2.206 0.692 0.919 1.000 0.571 CB 1.243 15 residues pruned to eliminate duplicates Z: 15 26.673 2.348 0.497 0.840 0.929 0.857 CB 1.629 15 residues pruned to eliminate duplicates Z: 14 32.637 2.161 0.911 0.882 0.923 0.692 CB 1.719 14 residues pruned to eliminate duplicates Z: 19 28.250 2.378 0.474 0.713 0.944 0.611 CB 1.658 19 residues pruned to eliminate duplicates Z: 18 31.468 2.402 0.416 0.784 1.000 0.706 CB 1.747 18 residues pruned to eliminate duplicates Z: 11 12.943 1.932 0.620 0.861 0.900 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 12 38.042 2.376 0.866 0.911 1.000 0.909 CA 1.834 12 residues pruned to eliminate duplicates Z: 50 46.733 2.398 0.917 0.470 0.857 0.633 CB 1.748 50 residues pruned to eliminate duplicates Z: 16 22.873 2.150 0.563 0.886 0.867 0.667 CB 1.464 16 residues pruned to eliminate duplicates Z: 27 48.671 2.364 1.323 0.675 0.923 0.538 CB 1.603 50 residues pruned to eliminate duplicates Z: 17 22.599 2.100 0.736 0.782 0.750 0.625 CA 1.611 17 residues pruned to eliminate duplicates Z: 9 12.548 2.177 1.110 0.524 0.625 0.500 CB 1.509 9 residues pruned to eliminate duplicates Z: 15 24.875 2.193 0.494 0.807 0.929 0.643 CB 1.672 15 residues pruned to eliminate duplicates Z: 16 19.644 2.209 0.459 0.734 0.867 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 34 28.715 2.147 0.853 0.404 0.909 0.606 CB 1.528 34 residues pruned to eliminate duplicates Z: 13 38.186 2.280 1.060 0.897 1.000 0.833 CA 1.680 13 residues pruned to eliminate duplicates Z: 18 18.626 2.135 0.485 0.774 0.882 0.647 CB 1.267 18 residues pruned to eliminate duplicates Z: 60 36.489 2.154 0.833 0.462 0.864 0.627 CB 1.447 60 residues pruned to eliminate duplicates Z: 16 34.565 2.165 0.969 0.882 0.933 0.600 CB 1.623 16 residues pruned to eliminate duplicates Z: 26 21.360 2.104 0.434 0.673 0.880 0.720 CB 1.372 26 residues pruned to eliminate duplicates Z: 87 44.301 2.166 0.735 0.444 0.919 0.605 CB 1.466 86 residues pruned to eliminate duplicates Z: 24 18.004 1.986 0.729 0.368 0.957 0.739 CB 1.316 24 residues pruned to eliminate duplicates Z: 89 43.770 2.174 0.731 0.439 0.909 0.568 CB 1.452 89 residues pruned to eliminate duplicates Z: 94 51.062 2.269 0.745 0.473 0.892 0.570 CB 1.540 94 residues pruned to eliminate duplicates Z: 16 32.383 2.125 0.768 0.878 1.000 0.667 CB 1.616 16 residues pruned to eliminate duplicates Z: 26 43.250 2.369 1.040 0.671 0.960 0.600 CB 1.592 26 residues pruned to eliminate duplicates Z: 50 31.930 2.225 0.598 0.425 0.898 0.571 CB 1.546 50 residues pruned to eliminate duplicates Z: 28 40.622 2.401 1.019 0.577 0.926 0.630 CB 1.616 28 residues pruned to eliminate duplicates Z: 26 34.593 2.465 0.751 0.638 0.840 0.720 CB 1.676 26 residues pruned to eliminate duplicates Z: 8 6.602 1.916 0.951 0.267 0.857 0.571 CB 1.016 8 residues pruned to eliminate duplicates Z: 12 38.481 2.488 0.779 0.913 1.000 0.909 CB 1.855 12 residues pruned to eliminate duplicates Z: 92 73.798 2.482 0.897 0.474 0.934 0.571 CB 1.807 92 residues pruned to eliminate duplicates Z: 27 31.013 2.383 0.793 0.583 0.808 0.654 CB 1.627 27 residues pruned to eliminate duplicates Z: 13 6.098 1.791 0.536 0.334 0.750 0.417 CB 1.022 13 residues pruned to eliminate duplicates Z: 11 21.985 2.051 0.695 0.852 0.900 0.700 CA 1.644 11 residues pruned to eliminate duplicates Z: 20 29.782 2.260 0.731 0.813 0.947 0.684 CB 1.405 20 residues pruned to eliminate duplicates Z: 18 21.234 2.015 0.574 0.778 0.824 0.588 CB 1.544 18 residues pruned to eliminate duplicates Z: 17 28.878 2.123 0.733 0.857 0.875 0.625 CB 1.653 17 residues pruned to eliminate duplicates Z: 12 27.069 2.308 0.807 0.772 0.818 0.636 CB 1.879 12 residues pruned to eliminate duplicates Z: 6 5.530 1.662 -0.011 0.797 1.000 0.800 CB 1.160 6 residues pruned to eliminate duplicates Z: 10 15.695 2.373 0.409 0.824 0.778 0.444 CB 1.519 10 residues pruned to eliminate duplicates Z: 65 58.072 2.523 0.816 0.497 0.891 0.672 CB 1.784 65 residues pruned to eliminate duplicates Z: 12 10.825 1.838 0.671 0.436 0.818 0.455 CB 1.388 12 residues pruned to eliminate duplicates Z: 24 22.255 2.097 0.785 0.441 0.913 0.696 CB 1.444 24 residues pruned to eliminate duplicates Z: 26 23.203 2.151 0.559 0.613 0.840 0.640 CB 1.480 26 residues pruned to eliminate duplicates Z: 14 32.185 2.349 0.727 0.854 0.923 0.769 CB 1.761 14 residues pruned to eliminate duplicates Z: 16 31.654 2.255 0.702 0.928 1.000 0.733 CB 1.492 Z: 45 33.674 2.237 0.748 0.504 0.932 0.614 CB 1.388 45 residues pruned to eliminate duplicates Z: 13 29.938 2.229 0.877 0.873 0.917 0.417 CB 1.641 13 residues pruned to eliminate duplicates Z: 16 29.272 2.186 0.852 0.835 0.867 0.667 CB 1.613 16 residues pruned to eliminate duplicates Z: 16 31.060 2.342 0.722 0.871 0.933 0.733 CB 1.554 16 residues pruned to eliminate duplicates Z: 6 7.204 1.911 0.569 0.644 0.800 0.800 CB 1.174 6 residues pruned to eliminate duplicates Z: 8 3.763 1.661 0.110 0.493 1.000 0.429 CB 0.777 Z: 91 60.606 2.301 0.964 0.491 0.900 0.689 CB 1.586 95 residues pruned to eliminate duplicates Z: 7 3.638 1.840 0.030 0.276 0.667 0.333 CB 1.515 Z: 17 33.394 2.159 0.900 0.936 1.000 0.625 CB 1.417 16 residues pruned to eliminate duplicates Z: 27 22.709 2.116 0.541 0.590 0.846 0.692 CB 1.481 27 residues pruned to eliminate duplicates Z: 18 26.759 2.208 0.542 0.842 1.000 0.588 CB 1.420 18 residues pruned to eliminate duplicates Z: 6 7.821 2.148 -0.246 0.885 1.000 1.000 CB 1.559 6 residues pruned to eliminate duplicates Z: 17 32.304 2.024 1.011 0.848 0.875 0.750 CA 1.683 17 residues pruned to eliminate duplicates Z: 26 27.762 2.356 0.784 0.538 0.880 0.560 CB 1.445 26 residues pruned to eliminate duplicates Z: 20 28.072 2.313 0.404 0.811 1.000 0.789 CB 1.513 20 residues pruned to eliminate duplicates Z: 17 15.646 1.997 0.265 0.883 1.000 0.688 CB 1.119 17 residues pruned to eliminate duplicates Z: 11 32.002 2.385 0.878 0.876 0.900 0.900 CB 1.823 11 residues pruned to eliminate duplicates Z: 9 10.653 1.596 0.424 0.899 1.000 0.750 CB 1.185 Z: 15 25.488 2.442 0.367 0.846 0.929 0.786 CB 1.633 15 residues pruned to eliminate duplicates Z: 115 66.660 2.300 0.848 0.531 0.921 0.614 CB 1.547 140 residues pruned to eliminate duplicates Z: 8 7.152 1.723 0.277 0.553 1.000 0.571 CB 1.167 Z: 57 64.421 2.426 1.034 0.601 0.964 0.696 CB 1.644 74 residues pruned to eliminate duplicates Z: 46 42.950 2.476 0.883 0.456 0.800 0.622 CB 1.795 46 residues pruned to eliminate duplicates Z: 16 35.775 2.237 0.909 0.936 1.000 0.667 CB 1.506 Z: 14 26.770 2.163 0.848 0.914 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 7 9.484 1.949 0.493 0.534 1.000 0.833 CB 1.286 Z: 11 8.768 1.900 0.394 0.436 0.900 0.500 CB 1.242 11 residues pruned to eliminate duplicates Z: 50 31.818 2.121 0.677 0.569 0.837 0.653 CB 1.429 50 residues pruned to eliminate duplicates Z: 8 12.090 2.128 0.759 0.599 0.857 0.857 CB 1.296 Z: 12 14.901 1.908 1.006 0.364 0.909 0.545 CB 1.494 12 residues pruned to eliminate duplicates Z: 6 2.042 1.638 0.588 0.379 0.800 0.600 CB 0.499 6 residues pruned to eliminate duplicates Z: 9 9.195 1.655 0.468 0.915 1.000 0.625 CB 0.945 9 residues pruned to eliminate duplicates Z: 6 9.034 1.839 0.738 0.854 0.800 0.800 CB 1.167 6 residues pruned to eliminate duplicates Z: 10 6.384 1.893 0.227 0.341 0.667 0.333 CA 1.635 10 residues pruned to eliminate duplicates Z: 6 2.263 1.925 -0.543 0.795 1.000 0.800 CB 0.888 Z: 6 5.397 1.848 0.099 0.787 1.000 0.600 CA 0.924 6 residues pruned to eliminate duplicates Z: 9 6.174 1.773 0.265 0.433 0.875 0.625 CB 1.192 7 residues pruned to eliminate duplicates Z: 14 28.468 2.254 0.709 0.849 0.923 0.846 CB 1.646 14 residues pruned to eliminate duplicates Z: 6 7.867 1.788 0.721 0.632 1.000 0.600 CB 1.011 6 residues pruned to eliminate duplicates Z: 6 7.406 1.954 0.266 0.873 1.000 1.000 CB 0.975 6 residues pruned to eliminate duplicates Z: 9 10.261 1.616 0.495 0.881 1.000 0.750 CB 1.087 9 residues pruned to eliminate duplicates Z: 28 41.357 2.292 1.222 0.589 0.926 0.704 CB 1.550 28 residues pruned to eliminate duplicates Z: 15 24.810 2.164 0.718 0.781 0.857 0.571 CB 1.624 15 residues pruned to eliminate duplicates Z: 16 30.126 2.318 0.563 0.830 1.000 0.733 CB 1.615 16 residues pruned to eliminate duplicates Z: 14 25.009 2.170 1.241 0.488 0.923 0.692 CA 1.563 14 residues pruned to eliminate duplicates Z: 44 43.136 2.406 0.876 0.505 0.837 0.605 CB 1.733 44 residues pruned to eliminate duplicates Z: 9 9.334 1.575 0.384 0.897 1.000 0.875 CB 1.083 9 residues pruned to eliminate duplicates Z: 11 14.146 1.763 0.307 0.880 1.000 0.700 CB 1.407 Z: 12 19.150 2.251 0.181 0.912 1.000 0.909 CB 1.539 12 residues pruned to eliminate duplicates Z: 17 23.231 2.108 0.690 0.800 0.750 0.562 CA 1.672 17 residues pruned to eliminate duplicates Z: 9 7.466 2.125 0.313 0.489 0.750 0.625 CB 1.276 9 residues pruned to eliminate duplicates Z: 15 14.692 1.948 0.636 0.498 0.929 0.786 CB 1.330 15 residues pruned to eliminate duplicates Z: 28 13.566 1.992 0.610 0.358 0.852 0.630 CB 1.114 28 residues pruned to eliminate duplicates Z: 13 20.238 2.098 0.416 0.814 0.917 0.833 CB 1.632 13 residues pruned to eliminate duplicates Z: 26 22.642 2.119 0.841 0.462 0.920 0.640 CB 1.313 26 residues pruned to eliminate duplicates Z: 7 2.260 1.587 -0.082 0.393 0.667 0.500 C 1.064 Z: 15 13.232 1.925 0.588 0.508 0.929 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 27 40.054 2.256 1.178 0.667 0.885 0.615 CB 1.548 27 residues pruned to eliminate duplicates Z: 13 32.247 2.358 0.621 0.899 0.917 0.833 CA 1.899 13 residues pruned to eliminate duplicates Z: 9 9.336 1.589 0.272 0.881 1.000 0.875 CB 1.182 9 residues pruned to eliminate duplicates Z: 87 63.077 2.409 0.918 0.486 0.895 0.640 CB 1.668 87 residues pruned to eliminate duplicates Z: 45 22.844 2.041 0.673 0.403 0.841 0.614 CB 1.328 45 residues pruned to eliminate duplicates Z: 10 16.150 2.129 1.105 0.364 0.778 0.556 C 1.789 10 residues pruned to eliminate duplicates Z: 27 22.553 2.010 0.587 0.536 0.923 0.538 CB 1.450 27 residues pruned to eliminate duplicates Z: 91 66.243 2.491 0.731 0.479 0.933 0.644 CB 1.773 91 residues pruned to eliminate duplicates Z: 27 17.728 1.840 0.421 0.531 0.885 0.654 CB 1.458 27 residues pruned to eliminate duplicates Z: 27 32.875 2.328 0.576 0.639 0.962 0.769 CB 1.604 27 residues pruned to eliminate duplicates Z: 8 9.616 1.675 0.397 0.896 1.000 0.571 CB 1.113 8 residues pruned to eliminate duplicates Z: 12 13.405 1.706 0.325 0.849 0.909 0.818 CB 1.458 11 residues pruned to eliminate duplicates Z: 15 33.800 2.132 0.747 0.930 1.000 0.786 CB 1.697 15 residues pruned to eliminate duplicates Z: 16 20.168 2.235 0.372 0.875 0.933 0.800 CB 1.324 16 residues pruned to eliminate duplicates Z: 37 33.296 2.215 0.721 0.596 0.917 0.667 CB 1.449 37 residues pruned to eliminate duplicates Z: 13 28.293 2.315 0.944 0.828 0.833 0.750 CB 1.640 13 residues pruned to eliminate duplicates Z: 39 17.160 1.782 0.645 0.485 0.816 0.658 CB 1.183 51 residues pruned to eliminate duplicates Z: 12 9.474 2.022 0.544 0.393 0.818 0.455 CB 1.252 12 residues pruned to eliminate duplicates Z: 27 50.780 2.354 1.181 0.721 1.000 0.654 CB 1.588 43 residues pruned to eliminate duplicates Z: 17 26.778 2.010 0.768 0.740 0.875 0.625 C 1.737 17 residues pruned to eliminate duplicates Z: 6 7.836 2.138 0.000 0.657 1.000 0.800 CA 1.417 6 residues pruned to eliminate duplicates Z: 17 24.224 2.140 0.473 0.797 0.875 0.750 CB 1.693 17 residues pruned to eliminate duplicates Z: 6 14.803 1.925 0.524 0.849 1.000 0.800 CB 1.672 6 residues pruned to eliminate duplicates Z: 13 36.531 2.494 1.080 0.928 0.917 0.667 CB 1.552 Z: 16 28.925 2.176 0.817 0.935 1.000 0.800 CB 1.317 15 residues pruned to eliminate duplicates Z: 20 11.165 1.981 0.374 0.437 0.842 0.526 CB 1.193 28 residues pruned to eliminate duplicates Z: 20 39.046 2.347 1.070 0.710 0.895 0.526 CB 1.703 20 residues pruned to eliminate duplicates Z: 20 23.714 2.165 0.560 0.732 0.895 0.684 CB 1.462 20 residues pruned to eliminate duplicates Z: 93 52.832 2.194 0.827 0.455 0.924 0.609 CB 1.557 93 residues pruned to eliminate duplicates Z: 46 40.024 2.298 0.679 0.458 0.933 0.600 CB 1.729 46 residues pruned to eliminate duplicates Z: 26 10.769 1.790 0.257 0.394 0.880 0.560 CB 1.216 26 residues pruned to eliminate duplicates Z: 13 20.991 2.175 0.730 0.739 0.750 0.667 CA 1.732 13 residues pruned to eliminate duplicates Z: 11 17.314 2.007 0.526 0.777 0.900 0.700 CB 1.556 11 residues pruned to eliminate duplicates Z: 35 12.111 1.653 0.282 0.506 0.912 0.588 CB 1.069 Z: 6 4.226 1.488 -0.084 0.816 1.000 0.800 CB 1.054 Z: 49 32.139 2.126 0.624 0.565 0.938 0.625 CB 1.346 46 residues pruned to eliminate duplicates Z: 16 16.189 2.005 0.577 0.523 1.000 0.533 CB 1.293 16 residues pruned to eliminate duplicates Z: 9 8.396 1.535 0.666 0.509 0.875 0.500 N 1.316 9 residues pruned to eliminate duplicates Z: 9 6.817 1.835 0.664 0.479 0.750 0.500 CB 1.075 Z: 16 18.686 2.075 0.820 0.888 0.867 0.600 CB 1.062 16 residues pruned to eliminate duplicates Z: 13 25.252 2.196 0.464 0.898 1.000 1.000 CA 1.622 13 residues pruned to eliminate duplicates Z: 9 6.055 1.498 0.189 0.826 1.000 0.625 CB 0.906 9 residues pruned to eliminate duplicates Z: 7 5.244 1.520 0.963 0.379 0.833 0.833 N 0.980 Z: 13 29.463 2.170 0.667 0.893 1.000 0.750 CB 1.688 13 residues pruned to eliminate duplicates Z: 31 40.770 2.487 0.806 0.574 0.900 0.667 CB 1.715 31 residues pruned to eliminate duplicates Z: 93 63.902 2.450 0.786 0.453 0.902 0.543 CB 1.771 93 residues pruned to eliminate duplicates Z: 31 31.114 2.391 0.603 0.549 0.867 0.567 CB 1.630 31 residues pruned to eliminate duplicates Z: 28 33.529 2.434 0.756 0.514 0.852 0.630 CB 1.747 28 residues pruned to eliminate duplicates Z: 10 9.202 1.639 0.446 0.790 0.889 0.667 CB 1.128 11 residues pruned to eliminate duplicates Z: 51 39.296 2.137 0.735 0.591 0.960 0.720 CB 1.431 56 residues pruned to eliminate duplicates Z: 14 15.102 2.000 0.861 0.322 0.846 0.308 CB 1.619 14 residues pruned to eliminate duplicates Z: 6 10.912 1.900 0.657 0.853 1.000 1.000 CB 1.146 6 residues pruned to eliminate duplicates Z: 6 8.232 2.123 0.334 0.651 0.800 0.600 CA 1.412 5 residues pruned to eliminate duplicates Z: 77 45.637 2.167 0.839 0.468 0.921 0.579 CB 1.473 77 residues pruned to eliminate duplicates Z: 17 20.101 2.017 0.414 0.718 0.875 0.688 CA 1.653 17 residues pruned to eliminate duplicates Z: 16 16.457 2.192 0.746 0.372 0.800 0.533 CB 1.591 16 residues pruned to eliminate duplicates Z: 11 14.279 1.765 0.375 0.862 1.000 0.600 CB 1.367 11 residues pruned to eliminate duplicates Z: 13 20.707 2.001 1.430 0.562 0.833 0.750 CA 1.389 13 residues pruned to eliminate duplicates Z: 20 19.203 2.190 0.777 0.528 0.895 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 9 8.698 1.778 -0.161 0.873 1.000 0.750 CB 1.501 9 residues pruned to eliminate duplicates Z: 17 33.377 2.151 0.931 0.921 1.000 0.625 CB 1.413 16 residues pruned to eliminate duplicates Z: 50 48.022 2.551 0.765 0.467 0.857 0.653 CB 1.839 50 residues pruned to eliminate duplicates Z: 27 27.033 2.137 0.544 0.677 0.923 0.654 CB 1.479 36 residues pruned to eliminate duplicates Z: 57 65.782 2.496 0.991 0.534 0.929 0.732 CB 1.843 57 residues pruned to eliminate duplicates Z: 7 8.274 1.838 0.309 0.697 0.833 0.500 CA 1.408 7 residues pruned to eliminate duplicates Z: 8 4.318 1.482 0.543 0.273 0.857 0.429 O 1.078 8 residues pruned to eliminate duplicates Z: 24 31.566 2.275 0.817 0.586 0.913 0.522 CB 1.606 23 residues pruned to eliminate duplicates Z: 18 18.702 2.116 0.188 0.756 0.941 0.706 CB 1.526 18 residues pruned to eliminate duplicates Z: 21 12.010 1.850 0.319 0.443 0.950 0.400 CB 1.229 21 residues pruned to eliminate duplicates Z: 16 19.884 2.195 0.867 0.578 0.933 0.733 CB 1.245 16 residues pruned to eliminate duplicates Z: 11 18.920 2.061 0.438 0.825 1.000 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 29 32.010 2.394 0.747 0.555 0.857 0.607 CB 1.599 29 residues pruned to eliminate duplicates Z: 68 65.972 2.558 0.949 0.507 0.896 0.612 CB 1.793 68 residues pruned to eliminate duplicates Z: 8 7.679 2.061 -0.255 0.872 1.000 0.714 CB 1.378 8 residues pruned to eliminate duplicates Z: 19 26.953 2.181 0.511 0.773 0.944 0.556 CB 1.603 19 residues pruned to eliminate duplicates Z: 13 42.588 2.395 0.958 0.927 1.000 0.667 CB 1.837 13 residues pruned to eliminate duplicates Z: 7 2.305 1.296 0.329 0.561 0.667 0.500 CB 0.772 Z: 6 8.246 1.549 1.237 0.466 0.800 0.600 O 1.377 Z: 9 14.453 2.016 0.644 0.394 1.000 0.250 CB 1.725 9 residues pruned to eliminate duplicates Z: 37 29.828 2.202 0.700 0.570 0.944 0.583 CB 1.314 37 residues pruned to eliminate duplicates Z: 25 22.874 2.133 0.737 0.469 0.875 0.583 CA 1.487 52 residues pruned to eliminate duplicates Z: 7 9.581 1.927 0.292 0.898 1.000 0.833 CB 1.124 7 residues pruned to eliminate duplicates Z: 50 30.527 2.081 0.688 0.473 0.918 0.612 CB 1.389 84 residues pruned to eliminate duplicates Z: 8 7.343 1.690 0.706 0.472 1.000 0.714 CB 0.991 8 residues pruned to eliminate duplicates Z: 10 6.722 1.605 0.096 0.835 1.000 0.778 CB 0.955 10 residues pruned to eliminate duplicates Z: 11 20.729 2.039 0.564 0.794 0.900 0.600 CB 1.765 11 residues pruned to eliminate duplicates Z: 7 19.837 2.543 0.599 0.514 1.000 0.667 CA 1.964 7 residues pruned to eliminate duplicates Z: 26 12.062 1.904 0.567 0.368 0.800 0.480 CB 1.165 26 residues pruned to eliminate duplicates Z: 6 3.374 1.491 0.374 0.462 0.800 0.400 CB 0.956 Z: 69 66.877 2.530 0.990 0.550 0.912 0.618 CB 1.683 69 residues pruned to eliminate duplicates Z: 31 19.697 2.101 0.492 0.512 0.733 0.333 CB 1.546 31 residues pruned to eliminate duplicates Z: 10 10.332 2.062 0.841 0.411 0.889 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 89 47.407 2.220 0.615 0.515 0.898 0.534 CB 1.546 89 residues pruned to eliminate duplicates Z: 10 10.245 1.563 0.499 0.893 1.000 0.667 CB 1.047 9 residues pruned to eliminate duplicates Z: 51 30.869 2.107 0.556 0.555 0.860 0.620 CB 1.468 51 residues pruned to eliminate duplicates Z: 51 29.944 2.148 0.402 0.502 0.940 0.600 CB 1.494 51 residues pruned to eliminate duplicates Z: 40 46.994 2.470 0.783 0.474 0.897 0.641 CB 1.955 40 residues pruned to eliminate duplicates Z: 20 25.326 2.220 0.997 0.520 0.789 0.632 CB 1.627 20 residues pruned to eliminate duplicates Z: 14 26.749 2.015 0.931 0.826 0.923 0.385 CA 1.557 14 residues pruned to eliminate duplicates Z: 18 24.474 2.020 0.541 0.849 0.882 0.765 CB 1.601 18 residues pruned to eliminate duplicates Z: 53 48.205 2.481 0.810 0.433 0.885 0.519 CB 1.803 53 residues pruned to eliminate duplicates Z: 27 33.653 2.437 0.799 0.581 0.846 0.731 CB 1.647 27 residues pruned to eliminate duplicates Z: 16 14.067 1.857 0.718 0.485 0.933 0.467 CB 1.238 16 residues pruned to eliminate duplicates Z: 15 27.642 2.350 0.494 0.782 1.000 0.714 CB 1.640 15 residues pruned to eliminate duplicates Z: 10 10.828 1.545 0.745 0.910 1.000 0.889 CB 0.950 10 residues pruned to eliminate duplicates Z: 46 37.320 2.407 0.658 0.496 0.844 0.644 CB 1.657 46 residues pruned to eliminate duplicates Z: 13 34.038 2.451 0.863 0.859 0.917 0.333 CB 1.727 13 residues pruned to eliminate duplicates Z: 6 7.348 1.633 0.485 0.719 1.000 0.800 CB 1.112 Z: 79 49.241 2.243 0.759 0.505 0.910 0.628 CB 1.544 79 residues pruned to eliminate duplicates Z: 34 36.990 2.261 0.729 0.563 0.939 0.636 CB 1.650 34 residues pruned to eliminate duplicates Z: 90 45.784 2.184 0.726 0.468 0.910 0.539 CB 1.461 90 residues pruned to eliminate duplicates Z: 7 4.402 1.408 0.637 0.394 0.833 0.500 CB 1.047 8 1.499 1.682 0.512 0.161 0.571 0.429 CB 0.590 ? Z: 9 10.874 1.591 0.544 0.887 1.000 0.750 CB 1.129 9 residues pruned to eliminate duplicates Z: 12 14.223 2.060 0.357 0.653 0.909 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 11 4.568 1.709 0.452 0.341 0.700 0.400 CA 0.989 11 residues pruned to eliminate duplicates Z: 9 4.434 1.982 0.056 0.355 0.625 0.250 CB 1.401 Z: 14 11.676 1.739 0.663 0.542 0.846 0.846 CB 1.270 14 residues pruned to eliminate duplicates Z: 71 37.041 2.253 0.657 0.457 0.857 0.543 CB 1.446 71 residues pruned to eliminate duplicates Z: 23 28.828 2.470 0.600 0.494 0.955 0.727 CB 1.640 23 residues pruned to eliminate duplicates Z: 35 21.315 2.053 0.519 0.501 0.882 0.471 CB 1.327 35 residues pruned to eliminate duplicates Z: 9 2.234 1.497 0.188 0.308 0.875 0.750 C 0.628 Z: 17 26.906 2.221 0.892 0.595 0.875 0.625 CA 1.670 17 residues pruned to eliminate duplicates Z: 7 9.064 2.093 0.438 0.585 0.833 0.500 CB 1.360 Z: 6 3.173 1.550 0.017 0.880 1.000 1.000 CB 0.652 5 residues pruned to eliminate duplicates Z: 9 10.422 1.579 0.497 0.898 1.000 0.875 CB 1.115 9 residues pruned to eliminate duplicates Z: 15 13.725 2.076 0.784 0.328 0.786 0.571 CA 1.523 15 residues pruned to eliminate duplicates Z: 13 13.546 1.964 0.896 0.329 0.917 0.667 CB 1.382 13 residues pruned to eliminate duplicates Z: 10 17.074 2.007 0.955 0.685 0.889 0.778 CA 1.378 10 residues pruned to eliminate duplicates Z: 8 3.877 1.576 0.138 0.560 0.857 0.571 CB 0.900 8 residues pruned to eliminate duplicates Z: 63 51.311 2.341 0.899 0.474 0.935 0.597 CB 1.609 63 residues pruned to eliminate duplicates Z: 16 30.129 2.179 0.676 0.910 1.000 0.733 CB 1.511 Z: 17 15.070 2.109 0.422 0.763 0.750 0.625 CB 1.326 17 residues pruned to eliminate duplicates Z: 6 3.822 1.553 -0.091 0.735 1.000 1.000 CB 0.981 5 residues pruned to eliminate duplicates Z: 7 6.037 1.876 0.072 0.573 1.000 1.000 CB 1.142 Z: 12 15.085 2.004 0.515 0.702 0.909 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 7 3.342 1.807 0.547 0.339 0.667 0.500 CB 0.873 Z: 19 12.835 1.577 0.557 0.621 0.944 0.667 CB 1.164 18 residues pruned to eliminate duplicates Z: 14 16.675 2.113 0.986 0.247 0.846 0.538 CA 1.743 14 residues pruned to eliminate duplicates Z: 22 15.117 2.035 0.659 0.416 0.857 0.571 CB 1.244 22 residues pruned to eliminate duplicates Z: 10 8.810 1.502 0.439 0.841 1.000 0.667 CB 1.014 10 residues pruned to eliminate duplicates Z: 17 31.672 2.151 0.821 0.869 1.000 0.750 CB 1.477 16 residues pruned to eliminate duplicates Z: 9 13.250 2.175 0.192 0.834 0.875 0.750 CB 1.548 9 residues pruned to eliminate duplicates Z: 12 32.701 2.323 1.014 0.871 0.909 0.727 CA 1.691 12 residues pruned to eliminate duplicates Z: 12 21.459 2.243 1.064 0.306 0.909 0.818 CB 1.909 12 residues pruned to eliminate duplicates Z: 9 8.059 1.577 0.370 0.567 1.000 0.625 CB 1.235 Z: 11 6.947 1.467 0.333 0.865 0.900 0.700 CB 0.915 11 residues pruned to eliminate duplicates Z: 23 35.787 2.433 0.844 0.594 0.909 0.727 CB 1.711 23 residues pruned to eliminate duplicates Z: 14 24.881 2.250 0.442 0.858 1.000 0.846 CA 1.565 14 residues pruned to eliminate duplicates Z: 35 26.372 2.260 0.363 0.582 0.941 0.676 CB 1.443 35 residues pruned to eliminate duplicates Z: 40 34.016 2.126 0.835 0.476 0.923 0.590 CB 1.549 40 residues pruned to eliminate duplicates Z: 14 29.098 2.297 0.725 0.896 1.000 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 11 14.634 2.183 0.711 0.296 1.000 0.700 CB 1.556 11 residues pruned to eliminate duplicates Z: 69 27.332 2.144 0.399 0.400 0.838 0.544 CB 1.464 69 residues pruned to eliminate duplicates Z: 22 14.498 1.679 0.351 0.619 0.952 0.619 CB 1.309 Z: 7 8.313 1.869 0.283 0.839 1.000 0.500 CB 1.057 7 residues pruned to eliminate duplicates Z: 14 23.403 2.272 0.775 0.457 1.000 0.615 CB 1.682 14 residues pruned to eliminate duplicates Z: 7 6.819 1.284 0.702 0.872 1.000 0.833 CB 0.929 Z: 12 12.094 1.949 0.858 0.466 0.818 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 36 30.172 2.254 0.521 0.589 0.914 0.657 CB 1.494 36 residues pruned to eliminate duplicates Z: 45 36.401 2.222 0.854 0.415 0.932 0.591 CB 1.562 45 residues pruned to eliminate duplicates Z: 48 32.205 2.259 0.634 0.448 0.872 0.638 CB 1.539 48 residues pruned to eliminate duplicates Z: 13 25.318 2.193 0.771 0.669 0.917 0.667 CB 1.757 13 residues pruned to eliminate duplicates Z: 43 42.155 2.429 0.846 0.454 0.905 0.667 CB 1.680 52 residues pruned to eliminate duplicates Z: 22 26.992 2.169 0.741 0.542 1.000 0.524 CB 1.497 39 residues pruned to eliminate duplicates Z: 7 3.754 1.625 0.155 0.329 1.000 0.667 CB 0.985 7 residues pruned to eliminate duplicates Z: 10 4.182 1.650 0.108 0.224 0.889 0.556 CB 1.185 17 residues pruned to eliminate duplicates Z: 35 37.886 2.508 0.720 0.348 0.941 0.529 CB 1.886 35 residues pruned to eliminate duplicates Z: 118 53.536 2.217 0.744 0.454 0.915 0.598 CB 1.467 118 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 29.078 2.256 1.047 0.816 0.938 0.562 CB 1.276 Z: 16 26.920 2.221 0.651 0.923 0.933 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 31 34.464 2.215 0.810 0.629 0.900 0.567 CB 1.544 48 residues pruned to eliminate duplicates Z: 15 33.980 2.466 1.130 0.806 0.857 0.500 CB 1.545 Z: 16 33.031 2.274 0.995 0.930 0.933 0.533 CB 1.408 14 residues pruned to eliminate duplicates Z: 14 32.279 2.369 1.085 0.904 0.923 0.692 CB 1.398 14 residues pruned to eliminate duplicates Z: 29 36.750 2.290 0.986 0.612 0.893 0.571 CB 1.538 46 residues pruned to eliminate duplicates Z: 26 38.267 2.379 0.924 0.672 0.920 0.640 CB 1.552 26 residues pruned to eliminate duplicates Z: 26 48.780 2.398 1.174 0.715 1.000 0.680 CB 1.540 26 residues pruned to eliminate duplicates Z: 27 40.861 2.365 1.060 0.655 0.923 0.654 CB 1.543 27 residues pruned to eliminate duplicates Z: 27 46.724 2.381 1.232 0.676 0.885 0.577 CB 1.657 27 residues pruned to eliminate duplicates Z: 29 39.777 2.285 1.097 0.623 0.929 0.571 CB 1.504 29 residues pruned to eliminate duplicates Z: 29 33.503 2.173 1.124 0.599 0.857 0.536 CB 1.456 29 residues pruned to eliminate duplicates Z: 16 37.291 2.240 1.053 0.917 1.000 0.667 CB 1.477 Z: 11 16.409 1.799 0.541 0.879 1.000 0.500 CB 1.357 11 residues pruned to eliminate duplicates Z: 10 14.071 1.888 0.217 0.881 1.000 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 23 13.088 1.648 0.519 0.553 0.909 0.636 CB 1.164 23 residues pruned to eliminate duplicates Z: 107 44.872 2.107 0.656 0.477 0.906 0.528 CB 1.412 129 residues pruned to eliminate duplicates Z: 23 13.476 1.661 0.413 0.635 0.955 0.682 CB 1.130 Z: 13 13.228 1.644 0.178 0.865 1.000 0.667 CA 1.444 13 residues pruned to eliminate duplicates Z: 11 13.873 1.797 0.331 0.885 1.000 0.900 CB 1.325 12 residues pruned to eliminate duplicates Z: 12 12.681 1.717 0.124 0.856 1.000 0.545 O 1.461 12 residues pruned to eliminate duplicates Z: 49 26.286 1.966 0.549 0.563 0.896 0.646 CB 1.308 80 residues pruned to eliminate duplicates Z: 12 12.338 1.729 0.278 0.724 1.000 0.545 CB 1.375 Z: 6 8.690 1.936 0.244 0.780 1.000 0.600 CB 1.260 6 residues pruned to eliminate duplicates Z: 20 26.135 2.179 0.557 0.714 0.895 0.579 CB 1.627 20 residues pruned to eliminate duplicates Z: 27 31.333 2.226 0.670 0.705 0.885 0.615 CB 1.550 27 residues pruned to eliminate duplicates Z: 14 32.778 2.302 0.756 0.830 0.923 0.769 CA 1.831 14 residues pruned to eliminate duplicates Z: 28 23.075 2.172 0.372 0.659 0.889 0.556 CB 1.446 28 residues pruned to eliminate duplicates Z: 17 22.815 2.244 0.378 0.707 0.875 0.562 CA 1.746 17 residues pruned to eliminate duplicates Z: 25 30.017 2.238 0.670 0.670 0.875 0.625 CB 1.602 25 residues pruned to eliminate duplicates Z: 19 25.260 2.229 0.416 0.670 0.944 0.556 CB 1.708 19 residues pruned to eliminate duplicates Z: 17 25.166 2.192 0.653 0.691 0.875 0.562 CB 1.667 17 residues pruned to eliminate duplicates Z: 22 22.470 2.092 0.401 0.670 0.905 0.619 CB 1.580 22 residues pruned to eliminate duplicates Z: 19 26.307 2.231 0.439 0.728 0.944 0.500 CB 1.666 19 residues pruned to eliminate duplicates Z: 18 29.950 2.271 0.465 0.759 1.000 0.647 CB 1.734 18 residues pruned to eliminate duplicates Z: 20 26.719 2.214 0.502 0.677 0.947 0.579 CA 1.654 20 residues pruned to eliminate duplicates Z: 20 22.188 2.138 0.413 0.694 0.895 0.526 CB 1.577 20 residues pruned to eliminate duplicates Z: 21 20.338 2.105 0.378 0.613 0.900 0.500 CB 1.566 21 residues pruned to eliminate duplicates Z: 19 26.727 2.196 0.548 0.750 0.944 0.500 CB 1.569 19 residues pruned to eliminate duplicates Z: 26 22.422 2.176 0.554 0.603 0.840 0.600 CB 1.431 26 residues pruned to eliminate duplicates Z: 24 26.329 2.226 0.616 0.613 0.870 0.609 CB 1.577 24 residues pruned to eliminate duplicates Z: 28 23.899 2.174 0.451 0.647 0.889 0.667 CB 1.430 28 residues pruned to eliminate duplicates Z: 28 25.369 2.172 0.518 0.632 0.889 0.593 CB 1.471 28 residues pruned to eliminate duplicates Z: 9 8.341 2.092 0.419 0.509 0.750 0.750 CB 1.313 Z: 7 6.345 1.531 0.485 0.457 1.000 0.667 CB 1.191 7 residues pruned to eliminate duplicates Z: 6 4.806 1.635 0.602 0.423 0.600 0.600 CB 1.481 6 residues pruned to eliminate duplicates Z: 9 10.525 2.056 0.805 0.517 0.750 0.750 CB 1.315 9 residues pruned to eliminate duplicates Z: 8 4.296 1.452 0.256 0.507 0.857 0.429 CB 1.032 Z: 7 6.241 1.682 0.323 0.488 1.000 0.833 CB 1.159 8 residues pruned to eliminate duplicates Z: 6 3.247 1.663 0.447 0.462 0.600 0.200 CB 1.045 6 residues pruned to eliminate duplicates Z: 10 3.435 1.720 0.209 0.319 0.889 0.444 CB 0.756 7 residues pruned to eliminate duplicates Z: 7 5.060 1.853 0.019 0.464 1.000 0.667 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 7.314 1.535 0.725 0.388 0.875 0.375 CA 1.256 9 residues pruned to eliminate duplicates Z: 78 44.343 2.253 0.786 0.449 0.870 0.636 CB 1.521 78 residues pruned to eliminate duplicates Z: 47 33.037 2.097 0.775 0.425 0.935 0.630 CB 1.514 56 residues pruned to eliminate duplicates Z: 23 12.826 1.967 0.629 0.290 0.909 0.591 CB 1.188 23 residues pruned to eliminate duplicates Z: 83 47.911 2.221 0.735 0.490 0.915 0.585 CB 1.516 83 residues pruned to eliminate duplicates Z: 24 36.670 2.294 0.946 0.520 0.913 0.478 CB 1.839 24 residues pruned to eliminate duplicates Z: 41 33.583 2.093 0.976 0.484 0.875 0.575 CB 1.490 41 residues pruned to eliminate duplicates Z: 23 44.322 2.307 1.079 0.579 1.000 0.545 CB 1.827 23 residues pruned to eliminate duplicates Z: 23 40.052 2.330 1.019 0.574 0.909 0.636 CB 1.859 23 residues pruned to eliminate duplicates Z: 110 62.569 2.263 0.886 0.496 0.917 0.587 CB 1.537 110 residues pruned to eliminate duplicates Z: 43 37.669 2.069 0.957 0.510 0.929 0.619 CB 1.530 43 residues pruned to eliminate duplicates Z: 95 46.647 2.166 0.809 0.437 0.894 0.617 CB 1.466 95 residues pruned to eliminate duplicates Z: 88 46.800 2.157 0.833 0.455 0.885 0.552 CB 1.502 88 residues pruned to eliminate duplicates Z: 90 47.765 2.204 0.781 0.459 0.899 0.618 CB 1.496 90 residues pruned to eliminate duplicates Z: 77 47.857 2.282 0.758 0.480 0.895 0.605 CB 1.561 77 residues pruned to eliminate duplicates Z: 39 37.404 2.154 0.899 0.507 0.974 0.605 CB 1.512 39 residues pruned to eliminate duplicates Z: 82 49.809 2.229 0.805 0.491 0.901 0.605 CB 1.540 82 residues pruned to eliminate duplicates Z: 80 52.052 2.242 0.830 0.488 0.949 0.595 CB 1.523 80 residues pruned to eliminate duplicates Z: 98 46.877 2.152 0.758 0.436 0.918 0.567 CB 1.465 110 residues pruned to eliminate duplicates Z: 85 48.283 2.165 0.832 0.462 0.917 0.571 CB 1.505 85 residues pruned to eliminate duplicates Z: 52 31.023 2.238 0.661 0.432 0.882 0.510 CB 1.421 52 residues pruned to eliminate duplicates Z: 51 31.985 2.218 0.702 0.440 0.900 0.520 CB 1.416 51 residues pruned to eliminate duplicates Z: 55 33.480 2.233 0.693 0.412 0.870 0.556 CB 1.519 55 residues pruned to eliminate duplicates Z: 77 44.138 2.277 0.744 0.462 0.882 0.579 CB 1.503 77 residues pruned to eliminate duplicates Z: 45 34.988 2.259 0.744 0.493 0.932 0.614 CB 1.446 45 residues pruned to eliminate duplicates Z: 113 54.034 2.228 0.801 0.481 0.884 0.607 CB 1.467 113 residues pruned to eliminate duplicates Z: 121 61.981 2.258 0.861 0.486 0.917 0.617 CB 1.490 121 residues pruned to eliminate duplicates Z: 114 53.205 2.225 0.761 0.460 0.920 0.540 CB 1.447 114 residues pruned to eliminate duplicates Z: 35 23.197 2.213 0.533 0.409 0.853 0.471 CB 1.512 35 residues pruned to eliminate duplicates Z: 47 32.753 2.219 0.753 0.459 0.913 0.565 CB 1.417 47 residues pruned to eliminate duplicates Z: 101 46.902 2.116 0.723 0.500 0.890 0.640 CB 1.445 101 residues pruned to eliminate duplicates Z: 30 33.435 2.410 0.671 0.543 0.897 0.690 CB 1.649 30 residues pruned to eliminate duplicates Z: 49 31.300 2.266 0.614 0.448 0.896 0.542 CB 1.454 49 residues pruned to eliminate duplicates Z: 107 52.788 2.238 0.738 0.468 0.906 0.651 CB 1.504 107 residues pruned to eliminate duplicates Z: 92 54.786 2.293 0.761 0.508 0.912 0.604 CB 1.547 92 residues pruned to eliminate duplicates Z: 112 52.260 2.226 0.726 0.463 0.874 0.586 CB 1.534 112 residues pruned to eliminate duplicates Z: 107 62.101 2.282 0.845 0.492 0.934 0.642 CB 1.546 107 residues pruned to eliminate duplicates Z: 36 18.744 2.162 0.338 0.375 0.857 0.486 CB 1.460 36 residues pruned to eliminate duplicates Z: 90 46.959 2.188 0.741 0.456 0.921 0.652 CB 1.484 90 residues pruned to eliminate duplicates Z: 35 21.257 2.145 0.553 0.411 0.853 0.559 CB 1.409 35 residues pruned to eliminate duplicates Z: 48 37.742 2.278 0.745 0.482 0.979 0.638 CB 1.441 48 residues pruned to eliminate duplicates Z: 35 24.460 2.162 0.619 0.458 0.853 0.471 CB 1.467 35 residues pruned to eliminate duplicates Z: 50 32.142 2.249 0.790 0.449 0.857 0.449 CB 1.403 50 residues pruned to eliminate duplicates Z: 34 23.521 2.189 0.570 0.436 0.879 0.545 CB 1.449 34 residues pruned to eliminate duplicates Z: 52 24.325 2.080 0.520 0.424 0.882 0.569 CB 1.321 52 residues pruned to eliminate duplicates Z: 35 23.697 2.217 0.494 0.432 0.941 0.500 CB 1.399 35 residues pruned to eliminate duplicates Z: 21 11.184 1.964 0.561 0.330 0.800 0.500 CB 1.229 21 residues pruned to eliminate duplicates Z: 35 22.004 2.137 0.530 0.442 0.882 0.500 CB 1.388 35 residues pruned to eliminate duplicates Z: 34 20.855 2.169 0.398 0.426 0.909 0.697 CB 1.422 34 residues pruned to eliminate duplicates Z: 18 15.781 2.100 0.679 0.386 0.941 0.647 CB 1.302 18 residues pruned to eliminate duplicates Z: 22 17.096 2.159 0.600 0.329 0.952 0.571 CB 1.367 22 residues pruned to eliminate duplicates Z: 23 15.138 2.138 0.661 0.338 0.864 0.455 CB 1.257 23 residues pruned to eliminate duplicates Z: 34 20.367 2.229 0.419 0.369 0.939 0.606 CB 1.373 34 residues pruned to eliminate duplicates Z: 23 15.171 2.065 0.514 0.340 0.909 0.636 CB 1.355 23 residues pruned to eliminate duplicates Z: 18 14.162 2.068 0.682 0.386 0.882 0.647 CB 1.262 18 residues pruned to eliminate duplicates Z: 35 24.068 2.219 0.529 0.441 0.853 0.618 CB 1.516 35 residues pruned to eliminate duplicates Z: 45 34.605 2.294 0.796 0.437 0.909 0.455 CB 1.486 45 residues pruned to eliminate duplicates Z: 45 34.554 2.302 0.881 0.461 0.864 0.568 CB 1.450 45 residues pruned to eliminate duplicates Z: 34 25.627 2.204 0.540 0.486 0.939 0.576 CB 1.419 34 residues pruned to eliminate duplicates Z: 105 58.087 2.268 0.877 0.484 0.865 0.548 CB 1.571 105 residues pruned to eliminate duplicates Z: 112 57.787 2.242 0.886 0.460 0.883 0.595 CB 1.530 112 residues pruned to eliminate duplicates Z: 45 40.870 2.293 0.984 0.453 0.909 0.591 CB 1.564 45 residues pruned to eliminate duplicates Z: 27 38.228 2.372 1.084 0.587 0.846 0.577 CB 1.649 27 residues pruned to eliminate duplicates Z: 26 41.032 2.459 1.129 0.590 0.880 0.640 CB 1.635 26 residues pruned to eliminate duplicates Z: 26 36.364 2.411 0.906 0.573 0.880 0.560 CB 1.676 26 residues pruned to eliminate duplicates Z: 26 35.193 2.452 0.864 0.568 0.840 0.640 CB 1.717 26 residues pruned to eliminate duplicates Z: 24 44.289 2.515 0.948 0.649 0.957 0.565 CB 1.715 24 residues pruned to eliminate duplicates Z: 26 36.620 2.423 0.932 0.615 0.840 0.600 CB 1.670 26 residues pruned to eliminate duplicates Z: 27 36.232 2.413 1.083 0.535 0.846 0.500 CB 1.615 27 residues pruned to eliminate duplicates Z: 27 24.203 1.969 0.889 0.542 0.769 0.500 CB 1.593 27 residues pruned to eliminate duplicates Z: 106 53.042 2.221 0.883 0.463 0.848 0.600 CB 1.517 106 residues pruned to eliminate duplicates Z: 120 61.197 2.180 0.872 0.510 0.899 0.571 CB 1.514 120 residues pruned to eliminate duplicates Z: 25 45.445 2.473 1.088 0.630 0.917 0.625 CB 1.734 25 residues pruned to eliminate duplicates Z: 26 40.683 2.468 0.994 0.615 0.920 0.640 CB 1.611 26 residues pruned to eliminate duplicates Z: 28 34.280 2.368 1.027 0.548 0.852 0.556 CB 1.539 28 residues pruned to eliminate duplicates Z: 28 32.803 2.368 1.038 0.552 0.852 0.593 CB 1.459 28 residues pruned to eliminate duplicates Z: 13 9.752 2.150 0.889 0.380 0.750 0.583 CB 1.050 13 residues pruned to eliminate duplicates Z: 65 51.936 2.350 0.936 0.507 0.922 0.578 CB 1.537 65 residues pruned to eliminate duplicates Z: 27 32.137 2.340 0.870 0.549 0.885 0.462 CB 1.552 27 residues pruned to eliminate duplicates Z: 46 44.568 2.251 1.030 0.470 0.956 0.644 CB 1.569 46 residues pruned to eliminate duplicates Z: 28 37.526 2.334 1.095 0.532 0.926 0.556 CB 1.546 28 residues pruned to eliminate duplicates Z: 25 42.292 2.486 1.060 0.581 0.917 0.667 CB 1.701 25 residues pruned to eliminate duplicates Z: 77 39.726 2.172 0.621 0.506 0.882 0.566 CB 1.460 77 residues pruned to eliminate duplicates Z: 39 33.519 2.233 0.649 0.541 0.947 0.658 CB 1.498 39 residues pruned to eliminate duplicates Z: 75 46.271 2.247 0.628 0.548 0.932 0.635 CB 1.504 75 residues pruned to eliminate duplicates Z: 25 17.700 2.008 0.537 0.440 0.958 0.500 CB 1.300 25 residues pruned to eliminate duplicates Z: 16 9.472 1.777 0.284 0.481 0.867 0.533 CB 1.260 16 residues pruned to eliminate duplicates Z: 38 37.645 2.246 0.769 0.600 0.919 0.595 CB 1.541 38 residues pruned to eliminate duplicates Z: 74 43.288 2.184 0.688 0.520 0.918 0.575 CB 1.468 74 residues pruned to eliminate duplicates Z: 15 10.023 1.817 0.148 0.492 0.929 0.786 CB 1.394 15 residues pruned to eliminate duplicates Z: 75 44.577 2.248 0.581 0.526 0.932 0.581 CB 1.523 75 residues pruned to eliminate duplicates Z: 63 42.346 2.258 0.660 0.548 0.919 0.742 CB 1.489 63 residues pruned to eliminate duplicates Z: 51 29.271 2.140 0.437 0.515 0.920 0.680 CB 1.441 51 residues pruned to eliminate duplicates Z: 51 31.780 2.143 0.503 0.517 0.940 0.720 CB 1.460 51 residues pruned to eliminate duplicates Z: 24 11.496 1.803 0.086 0.464 0.913 0.696 CB 1.391 24 residues pruned to eliminate duplicates Z: 17 11.139 1.732 0.326 0.433 0.938 0.562 CB 1.387 17 residues pruned to eliminate duplicates Z: 60 35.990 2.204 0.508 0.500 0.966 0.661 CB 1.460 60 residues pruned to eliminate duplicates Z: 84 42.479 2.198 0.573 0.496 0.928 0.614 CB 1.460 84 residues pruned to eliminate duplicates Z: 49 28.687 2.178 0.478 0.441 0.938 0.583 CB 1.458 49 residues pruned to eliminate duplicates Z: 49 28.576 2.174 0.420 0.525 0.917 0.562 CB 1.423 49 residues pruned to eliminate duplicates Z: 37 31.110 2.299 0.509 0.564 0.972 0.667 CB 1.445 37 residues pruned to eliminate duplicates Z: 74 48.988 2.253 0.699 0.542 0.959 0.616 CB 1.499 74 residues pruned to eliminate duplicates Z: 57 30.604 2.075 0.458 0.495 0.946 0.607 CB 1.435 57 residues pruned to eliminate duplicates Z: 50 31.257 2.182 0.473 0.525 0.939 0.653 CB 1.443 50 residues pruned to eliminate duplicates Z: 36 35.688 2.323 0.572 0.575 1.000 0.714 CB 1.537 36 residues pruned to eliminate duplicates Z: 50 31.547 2.195 0.482 0.524 0.918 0.612 CB 1.473 50 residues pruned to eliminate duplicates Z: 75 48.920 2.245 0.727 0.536 0.946 0.527 CB 1.496 75 residues pruned to eliminate duplicates Z: 50 32.749 2.183 0.521 0.503 0.959 0.653 CB 1.465 50 residues pruned to eliminate duplicates Z: 49 31.167 2.178 0.503 0.522 0.938 0.688 CB 1.434 49 residues pruned to eliminate duplicates Z: 53 28.193 2.128 0.410 0.503 0.923 0.654 CB 1.408 53 residues pruned to eliminate duplicates Z: 39 28.976 2.219 0.620 0.511 0.921 0.579 CB 1.405 39 residues pruned to eliminate duplicates Z: 39 31.794 2.256 0.720 0.551 0.868 0.605 CB 1.457 39 residues pruned to eliminate duplicates Z: 51 32.466 2.173 0.497 0.525 0.940 0.620 CB 1.464 51 residues pruned to eliminate duplicates Z: 41 27.703 2.181 0.465 0.537 0.925 0.675 CB 1.430 41 residues pruned to eliminate duplicates Z: 75 47.780 2.250 0.662 0.537 0.959 0.541 CB 1.492 75 residues pruned to eliminate duplicates Z: 37 36.603 2.289 0.721 0.577 0.972 0.639 CB 1.479 37 residues pruned to eliminate duplicates Z: 39 30.514 2.251 0.516 0.527 0.974 0.579 CB 1.451 39 residues pruned to eliminate duplicates Z: 72 42.487 2.249 0.655 0.508 0.901 0.592 CB 1.490 72 residues pruned to eliminate duplicates Z: 106 52.291 2.268 0.655 0.479 0.905 0.571 CB 1.535 106 residues pruned to eliminate duplicates Z: 63 36.021 2.177 0.653 0.473 0.952 0.548 CB 1.372 63 residues pruned to eliminate duplicates Z: 37 34.613 2.272 0.649 0.581 0.972 0.667 CB 1.465 37 residues pruned to eliminate duplicates Z: 27 27.681 2.279 0.586 0.572 0.962 0.692 CB 1.457 27 residues pruned to eliminate duplicates Z: 30 21.990 2.193 0.494 0.516 0.897 0.586 CB 1.368 30 residues pruned to eliminate duplicates Z: 68 40.297 2.241 0.615 0.492 0.925 0.642 CB 1.482 68 residues pruned to eliminate duplicates Z: 69 48.625 2.282 0.794 0.495 0.912 0.618 CB 1.588 69 residues pruned to eliminate duplicates Z: 24 26.730 2.173 0.746 0.508 0.870 0.522 CA 1.675 24 residues pruned to eliminate duplicates Z: 26 15.481 1.926 0.639 0.353 0.880 0.440 CB 1.307 26 residues pruned to eliminate duplicates Z: 73 48.624 2.263 0.759 0.521 0.944 0.639 CB 1.492 73 residues pruned to eliminate duplicates Z: 37 37.355 2.296 0.718 0.603 0.944 0.722 CB 1.515 37 residues pruned to eliminate duplicates Z: 75 52.285 2.257 0.785 0.554 0.946 0.595 CB 1.514 75 residues pruned to eliminate duplicates Z: 74 47.122 2.223 0.867 0.519 0.918 0.589 CB 1.421 74 residues pruned to eliminate duplicates Z: 61 35.108 2.158 0.651 0.505 0.933 0.617 CB 1.356 61 residues pruned to eliminate duplicates Z: 80 35.494 2.142 0.732 0.421 0.848 0.633 CB 1.379 80 residues pruned to eliminate duplicates Z: 78 49.277 2.210 0.785 0.537 0.935 0.623 CB 1.467 78 residues pruned to eliminate duplicates Z: 24 21.885 2.162 0.412 0.654 0.826 0.609 CB 1.568 24 residues pruned to eliminate duplicates Z: 49 34.730 2.196 0.630 0.569 0.854 0.625 CB 1.534 49 residues pruned to eliminate duplicates Z: 57 36.828 2.117 0.582 0.614 0.893 0.714 CB 1.477 57 residues pruned to eliminate duplicates Z: 18 32.600 2.433 0.565 0.751 0.941 0.588 CB 1.764 18 residues pruned to eliminate duplicates Z: 25 33.195 2.377 0.689 0.678 0.875 0.583 CB 1.638 25 residues pruned to eliminate duplicates Z: 17 33.155 2.433 0.531 0.744 1.000 0.812 CB 1.789 17 residues pruned to eliminate duplicates Z: 46 46.369 2.399 0.648 0.601 0.956 0.556 CB 1.661 46 residues pruned to eliminate duplicates Z: 26 28.087 2.345 0.487 0.656 0.840 0.640 CB 1.659 26 residues pruned to eliminate duplicates Z: 19 26.710 2.343 0.450 0.697 0.944 0.389 CB 1.640 19 residues pruned to eliminate duplicates Z: 31 24.465 2.281 0.661 0.546 0.767 0.467 CB 1.471 31 residues pruned to eliminate duplicates Z: 18 31.720 2.420 0.653 0.748 0.882 0.647 CB 1.747 18 residues pruned to eliminate duplicates Z: 18 35.559 2.439 0.687 0.753 0.941 0.647 CB 1.777 18 residues pruned to eliminate duplicates Z: 19 30.377 2.390 0.558 0.711 0.944 0.667 CB 1.681 19 residues pruned to eliminate duplicates Z: 20 27.627 2.360 0.481 0.695 0.895 0.632 CB 1.697 20 residues pruned to eliminate duplicates Z: 19 26.154 2.323 0.560 0.676 0.944 0.667 CB 1.532 19 residues pruned to eliminate duplicates Z: 19 27.727 2.306 0.507 0.730 0.944 0.667 CB 1.619 19 residues pruned to eliminate duplicates Z: 49 37.318 2.205 0.628 0.570 0.896 0.583 CB 1.567 49 residues pruned to eliminate duplicates Z: 28 32.080 2.360 0.596 0.622 0.889 0.667 CB 1.643 28 residues pruned to eliminate duplicates Z: 56 37.224 2.131 0.538 0.620 0.909 0.745 CB 1.504 56 residues pruned to eliminate duplicates Z: 7 6.304 1.622 0.572 0.553 1.000 0.667 CA 0.959 7 residues pruned to eliminate duplicates Z: 42 33.882 2.257 0.580 0.550 0.878 0.610 CB 1.610 42 residues pruned to eliminate duplicates Z: 48 30.262 2.127 0.577 0.531 0.894 0.574 CB 1.428 48 residues pruned to eliminate duplicates Z: 27 30.657 2.359 0.616 0.586 0.885 0.692 CB 1.642 27 residues pruned to eliminate duplicates Z: 57 34.285 2.073 0.501 0.580 0.929 0.661 CB 1.468 57 residues pruned to eliminate duplicates Z: 28 27.270 2.293 0.480 0.607 0.889 0.593 CB 1.572 28 residues pruned to eliminate duplicates Z: 24 15.648 1.919 0.374 0.467 0.826 0.652 CB 1.549 24 residues pruned to eliminate duplicates Z: 58 30.009 2.043 0.525 0.552 0.860 0.632 CB 1.411 58 residues pruned to eliminate duplicates Z: 28 24.236 1.934 0.506 0.652 0.963 0.815 CB 1.443 45 residues pruned to eliminate duplicates Z: 24 17.878 1.845 0.484 0.533 0.913 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 23 19.412 1.945 0.629 0.581 0.864 0.682 CB 1.400 23 residues pruned to eliminate duplicates Z: 40 23.000 1.946 0.639 0.524 0.846 0.692 CB 1.333 40 residues pruned to eliminate duplicates Z: 58 34.708 2.078 0.536 0.579 0.912 0.684 CB 1.464 58 residues pruned to eliminate duplicates Z: 46 20.105 1.872 0.463 0.470 0.867 0.667 CB 1.302 46 residues pruned to eliminate duplicates Z: 37 18.754 1.914 0.632 0.496 0.778 0.611 CB 1.292 37 residues pruned to eliminate duplicates Z: 22 20.448 1.971 0.570 0.546 0.857 0.667 CA 1.608 22 residues pruned to eliminate duplicates Z: 21 16.522 1.983 0.382 0.557 0.900 0.750 CB 1.417 21 residues pruned to eliminate duplicates Z: 27 23.425 1.956 0.562 0.606 0.962 0.654 CB 1.413 27 residues pruned to eliminate duplicates Z: 13 15.940 2.120 0.333 0.624 0.917 0.750 CB 1.581 13 residues pruned to eliminate duplicates Z: 24 12.196 2.077 0.309 0.396 0.783 0.522 CB 1.334 24 residues pruned to eliminate duplicates Z: 11 12.225 2.029 0.317 0.478 0.900 0.600 CB 1.644 11 residues pruned to eliminate duplicates Z: 20 12.369 2.020 0.328 0.363 0.895 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 18 13.280 2.119 0.362 0.393 0.941 0.529 CB 1.328 18 residues pruned to eliminate duplicates Z: 43 37.986 2.325 0.685 0.463 0.929 0.595 CB 1.673 43 residues pruned to eliminate duplicates Z: 93 66.817 2.474 0.806 0.454 0.924 0.576 CB 1.769 93 residues pruned to eliminate duplicates Z: 113 61.062 2.443 0.701 0.444 0.875 0.545 CB 1.680 113 residues pruned to eliminate duplicates Z: 84 68.250 2.475 0.796 0.483 0.952 0.614 CB 1.802 84 residues pruned to eliminate duplicates Z: 114 70.795 2.488 0.740 0.475 0.894 0.566 CB 1.765 114 residues pruned to eliminate duplicates Z: 92 70.267 2.456 0.877 0.457 0.945 0.615 CB 1.766 92 residues pruned to eliminate duplicates Z: 91 66.577 2.506 0.739 0.471 0.922 0.578 CB 1.798 91 residues pruned to eliminate duplicates Z: 27 23.192 2.226 0.798 0.378 0.885 0.654 CB 1.464 27 residues pruned to eliminate duplicates Z: 48 35.138 2.259 0.685 0.445 0.915 0.617 CB 1.557 48 residues pruned to eliminate duplicates Z: 114 75.574 2.494 0.783 0.491 0.920 0.637 CB 1.753 114 residues pruned to eliminate duplicates Z: 90 66.563 2.514 0.760 0.479 0.899 0.596 CB 1.812 90 residues pruned to eliminate duplicates Z: 84 44.415 2.261 0.600 0.511 0.867 0.590 CB 1.537 84 residues pruned to eliminate duplicates Z: 90 67.400 2.516 0.806 0.470 0.899 0.562 CB 1.803 90 residues pruned to eliminate duplicates Z: 114 74.169 2.489 0.809 0.494 0.876 0.593 CB 1.779 114 residues pruned to eliminate duplicates Z: 50 29.242 2.160 0.801 0.399 0.816 0.633 CB 1.464 50 residues pruned to eliminate duplicates Z: 27 48.399 2.485 0.842 0.583 1.000 0.538 CB 1.914 27 residues pruned to eliminate duplicates Z: 42 45.677 2.393 0.787 0.469 1.000 0.561 CB 1.722 42 residues pruned to eliminate duplicates Z: 113 77.307 2.515 0.820 0.488 0.911 0.643 CB 1.773 113 residues pruned to eliminate duplicates Z: 87 66.317 2.457 0.848 0.476 0.884 0.616 CB 1.826 87 residues pruned to eliminate duplicates Z: 47 44.076 2.363 0.825 0.489 0.913 0.652 CB 1.669 47 residues pruned to eliminate duplicates Z: 46 42.827 2.347 0.779 0.475 0.956 0.600 CB 1.640 46 residues pruned to eliminate duplicates Z: 50 41.556 2.239 0.799 0.448 0.939 0.531 CB 1.657 50 residues pruned to eliminate duplicates Z: 115 70.445 2.466 0.812 0.478 0.886 0.596 CB 1.704 115 residues pruned to eliminate duplicates Z: 73 56.397 2.396 0.835 0.494 0.889 0.639 CB 1.711 73 residues pruned to eliminate duplicates Z: 115 71.421 2.464 0.734 0.468 0.921 0.614 CB 1.757 115 residues pruned to eliminate duplicates Z: 43 44.064 2.357 0.803 0.498 0.952 0.595 CB 1.683 43 residues pruned to eliminate duplicates Z: 114 78.605 2.497 0.897 0.492 0.894 0.575 CB 1.760 114 residues pruned to eliminate duplicates Z: 29 30.404 2.352 0.726 0.466 0.857 0.571 CB 1.710 29 residues pruned to eliminate duplicates Z: 66 60.084 2.562 0.781 0.486 0.877 0.662 CB 1.889 66 residues pruned to eliminate duplicates Z: 47 40.982 2.372 0.731 0.498 0.891 0.609 CB 1.654 47 residues pruned to eliminate duplicates Z: 49 41.292 2.333 0.754 0.521 0.854 0.625 CB 1.670 49 residues pruned to eliminate duplicates Z: 112 68.341 2.464 0.821 0.470 0.874 0.622 CB 1.707 112 residues pruned to eliminate duplicates Z: 47 42.933 2.361 0.731 0.498 0.935 0.630 CB 1.661 47 residues pruned to eliminate duplicates Z: 66 62.828 2.580 0.850 0.481 0.877 0.615 CB 1.898 66 residues pruned to eliminate duplicates Z: 25 30.250 2.389 0.734 0.472 0.833 0.708 CB 1.841 25 residues pruned to eliminate duplicates Z: 28 36.682 2.431 0.809 0.455 0.926 0.519 CB 1.814 28 residues pruned to eliminate duplicates Z: 44 40.766 2.337 0.781 0.456 0.930 0.651 CB 1.681 44 residues pruned to eliminate duplicates Z: 44 46.254 2.365 0.905 0.485 0.930 0.581 CB 1.709 44 residues pruned to eliminate duplicates Z: 71 73.896 2.557 0.963 0.515 0.914 0.629 CB 1.896 71 residues pruned to eliminate duplicates Z: 114 81.965 2.498 0.887 0.496 0.920 0.611 CB 1.784 114 residues pruned to eliminate duplicates Z: 48 38.711 2.293 0.685 0.460 0.936 0.596 CB 1.626 48 residues pruned to eliminate duplicates Z: 44 59.079 2.552 0.899 0.548 0.907 0.628 CB 1.955 44 residues pruned to eliminate duplicates Z: 50 49.694 2.538 0.914 0.449 0.837 0.510 CB 1.841 50 residues pruned to eliminate duplicates Z: 91 70.883 2.500 0.911 0.481 0.900 0.611 CB 1.770 91 residues pruned to eliminate duplicates Z: 51 56.050 2.584 0.896 0.466 0.900 0.600 CB 1.861 51 residues pruned to eliminate duplicates Z: 69 66.132 2.597 0.872 0.505 0.868 0.603 CB 1.893 69 residues pruned to eliminate duplicates Z: 112 80.137 2.488 0.900 0.474 0.937 0.595 CB 1.764 112 residues pruned to eliminate duplicates Z: 114 76.359 2.487 0.855 0.485 0.903 0.602 CB 1.751 114 residues pruned to eliminate duplicates Z: 72 64.483 2.521 0.885 0.486 0.930 0.606 CB 1.757 72 residues pruned to eliminate duplicates Z: 74 59.307 2.527 0.811 0.474 0.863 0.575 CB 1.805 74 residues pruned to eliminate duplicates Z: 44 58.013 2.673 0.908 0.489 0.884 0.605 CB 1.983 44 residues pruned to eliminate duplicates Z: 52 57.080 2.575 0.899 0.498 0.902 0.588 CB 1.817 52 residues pruned to eliminate duplicates Z: 92 72.940 2.488 0.978 0.480 0.923 0.626 CB 1.717 92 residues pruned to eliminate duplicates Z: 52 52.287 2.514 0.937 0.438 0.882 0.549 CB 1.816 52 residues pruned to eliminate duplicates Z: 43 58.336 2.587 0.972 0.533 0.929 0.667 CB 1.839 43 residues pruned to eliminate duplicates Z: 68 59.974 2.576 0.857 0.494 0.866 0.612 CB 1.779 68 residues pruned to eliminate duplicates Z: 36 40.089 2.491 0.769 0.424 0.886 0.571 CB 1.879 36 residues pruned to eliminate duplicates Z: 49 54.721 2.585 0.889 0.468 0.917 0.562 CB 1.824 49 residues pruned to eliminate duplicates Z: 73 61.718 2.544 0.803 0.484 0.875 0.569 CB 1.842 73 residues pruned to eliminate duplicates Z: 66 64.450 2.564 0.885 0.497 0.892 0.615 CB 1.860 66 residues pruned to eliminate duplicates Z: 68 68.631 2.593 0.884 0.509 0.896 0.582 CB 1.900 68 residues pruned to eliminate duplicates Z: 36 39.911 2.536 0.848 0.396 0.857 0.600 CB 1.874 36 residues pruned to eliminate duplicates Z: 49 54.138 2.588 0.868 0.483 0.917 0.625 CB 1.793 49 residues pruned to eliminate duplicates Z: 51 57.695 2.552 0.949 0.471 0.920 0.560 CB 1.836 51 residues pruned to eliminate duplicates Z: 50 59.958 2.570 1.041 0.477 0.898 0.612 CB 1.861 50 residues pruned to eliminate duplicates Z: 35 35.157 2.520 0.712 0.357 0.853 0.529 CB 1.911 35 residues pruned to eliminate duplicates Z: 114 71.319 2.475 0.802 0.488 0.885 0.602 CB 1.720 114 residues pruned to eliminate duplicates Z: 45 59.516 2.565 0.871 0.551 0.955 0.659 CB 1.863 45 residues pruned to eliminate duplicates Z: 73 64.596 2.540 0.953 0.509 0.875 0.556 CB 1.737 73 residues pruned to eliminate duplicates Z: 70 59.335 2.521 0.825 0.490 0.855 0.609 CB 1.835 70 residues pruned to eliminate duplicates Z: 44 65.320 2.680 1.030 0.496 0.930 0.628 CB 1.975 44 residues pruned to eliminate duplicates Z: 36 43.356 2.547 0.774 0.438 0.943 0.514 CB 1.833 36 residues pruned to eliminate duplicates Z: 23 29.500 2.490 0.847 0.349 0.864 0.455 CB 1.864 23 residues pruned to eliminate duplicates Z: 113 79.046 2.497 0.872 0.509 0.920 0.607 CB 1.722 113 residues pruned to eliminate duplicates Z: 44 60.365 2.640 1.011 0.489 0.930 0.674 CB 1.885 44 residues pruned to eliminate duplicates Z: 75 75.969 2.606 1.004 0.491 0.905 0.635 CB 1.885 75 residues pruned to eliminate duplicates Z: 75 60.691 2.526 0.827 0.491 0.865 0.554 CB 1.783 75 residues pruned to eliminate duplicates Z: 36 34.596 2.445 0.802 0.369 0.829 0.457 CB 1.844 36 residues pruned to eliminate duplicates Z: 104 76.136 2.403 0.867 0.534 0.942 0.602 CB 1.718 104 residues pruned to eliminate duplicates Z: 19 33.459 2.473 0.947 0.418 0.889 0.611 CA 2.007 19 residues pruned to eliminate duplicates Z: 53 58.073 2.522 1.070 0.487 0.942 0.538 CB 1.658 53 residues pruned to eliminate duplicates Z: 71 58.373 2.502 0.843 0.483 0.871 0.586 CB 1.766 71 residues pruned to eliminate duplicates Z: 49 47.225 2.447 0.920 0.455 0.896 0.542 CB 1.696 49 residues pruned to eliminate duplicates Z: 45 63.886 2.649 1.043 0.491 0.932 0.659 CB 1.928 45 residues pruned to eliminate duplicates Z: 48 59.967 2.622 1.053 0.487 0.894 0.574 CB 1.843 48 residues pruned to eliminate duplicates Z: 108 77.242 2.475 0.997 0.505 0.897 0.561 CB 1.675 108 residues pruned to eliminate duplicates Z: 48 59.069 2.602 1.051 0.502 0.894 0.574 CB 1.803 48 residues pruned to eliminate duplicates Z: 48 49.061 2.543 0.895 0.447 0.894 0.596 CB 1.755 48 residues pruned to eliminate duplicates Z: 73 62.549 2.497 0.859 0.469 0.931 0.653 CB 1.761 73 residues pruned to eliminate duplicates Z: 48 46.036 2.455 0.909 0.438 0.872 0.596 CB 1.752 48 residues pruned to eliminate duplicates Z: 60 57.949 2.545 0.798 0.548 0.881 0.661 CB 1.785 60 residues pruned to eliminate duplicates Z: 28 35.450 2.432 0.680 0.568 0.926 0.593 CB 1.688 28 residues pruned to eliminate duplicates Z: 27 29.491 2.398 0.583 0.597 0.846 0.615 CB 1.642 27 residues pruned to eliminate duplicates Z: 32 32.000 2.357 0.701 0.485 0.839 0.581 CB 1.735 32 residues pruned to eliminate duplicates Z: 53 54.773 2.481 0.873 0.513 0.885 0.558 CB 1.824 53 residues pruned to eliminate duplicates Z: 26 37.295 2.473 0.790 0.610 0.880 0.680 CB 1.726 26 residues pruned to eliminate duplicates Z: 24 45.426 2.600 0.808 0.654 0.957 0.652 CB 1.827 24 residues pruned to eliminate duplicates Z: 27 36.518 2.470 0.822 0.579 0.846 0.538 CB 1.743 27 residues pruned to eliminate duplicates Z: 26 38.371 2.514 0.816 0.585 0.880 0.680 CB 1.761 26 residues pruned to eliminate duplicates Z: 46 51.322 2.509 0.909 0.469 0.911 0.622 CB 1.809 46 residues pruned to eliminate duplicates Z: 26 37.363 2.460 0.799 0.603 0.880 0.680 CB 1.740 26 residues pruned to eliminate duplicates Z: 26 37.644 2.483 0.678 0.584 0.920 0.640 CB 1.811 26 residues pruned to eliminate duplicates Z: 26 37.385 2.520 0.802 0.606 0.880 0.680 CB 1.692 26 residues pruned to eliminate duplicates Z: 27 33.526 2.411 0.747 0.555 0.923 0.577 CB 1.603 27 residues pruned to eliminate duplicates Z: 26 38.628 2.508 0.929 0.564 0.880 0.680 CB 1.705 26 residues pruned to eliminate duplicates Z: 58 62.420 2.559 0.868 0.544 0.895 0.649 CB 1.853 58 residues pruned to eliminate duplicates Z: 35 21.849 2.056 0.665 0.333 0.824 0.471 CB 1.596 21 residues pruned to eliminate duplicates 360 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 165 D: 9 E: 70 F: 90 G: 9 CC for partial structure against native data = 38.31 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.582, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.661, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.781, Connect. = 0.808 for dens.mod. cycle 3 = 0.300, Contrast = 0.789, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.800, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.803, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.807, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.808, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.810, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.809, Connect. = 0.817 for dens.mod. cycle 10 TimeTaking 246.92