++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:32:07 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: ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.ins Phases from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi Native data from ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.hkl Listing output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.lst Phases output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phs Poly-Ala trace output to ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48424 Reflections read from file ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.phi 48424 Reflections read from file ./1vmf-1.7-parrot-noncs/1vmf-1.7-parrot-noncs.hkl 48424 Unique data, highest resolution = 1.730 Angstroms Anisotropic scaling: intensities multiplied by -0.000039h^2 +0.000084k^2 +0.000001l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.930 and 0 in range 1.930 > d > 1.730 added Density sharpening factor set to 1.16 Fourier grid = 128 x 128 x 60 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|> = 0.672 = 0.300, Contrast = 0.167, Connect. = 0.594 for dens.mod. cycle 1 = 0.300, Contrast = 0.389, Connect. = 0.649 for dens.mod. cycle 2 = 0.300, Contrast = 0.590, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.658, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.684, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.696, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.702, Connect. = 0.790 for dens.mod. cycle 7 = 0.300, Contrast = 0.706, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.707, Connect. = 0.795 for dens.mod. cycle 9 = 0.300, Contrast = 0.708, Connect. = 0.796 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2302 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 513 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 28.424 2.421 0.605 0.928 1.000 1.000 CB 1.708 B: 12 29.814 2.212 0.982 0.906 1.000 0.909 CB 1.458 10 residues pruned to eliminate duplicates C: 14 36.994 2.131 1.207 0.876 1.000 1.000 CB 1.586 D: 12 26.486 2.261 0.746 0.903 0.909 0.909 CB 1.585 13 residues pruned to eliminate duplicates E: 11 30.957 2.359 0.730 0.924 1.000 0.900 CA 1.686 F: 13 42.161 2.255 1.312 0.877 1.000 0.917 CB 1.696 14 residues pruned to eliminate duplicates G: 12 28.545 2.201 0.934 0.819 1.000 0.818 CA 1.533 10 residues pruned to eliminate duplicates H: 12 28.797 2.250 0.714 0.919 1.000 0.818 CB 1.586 12 residues pruned to eliminate duplicates I: 10 27.534 2.351 0.886 0.920 1.000 1.000 CB 1.458 10 residues pruned to eliminate duplicates J: 12 25.478 2.218 0.471 0.926 1.000 0.909 CA 1.651 12 residues pruned to eliminate duplicates K: 12 22.788 2.238 0.533 0.919 0.909 0.818 CB 1.552 12 residues pruned to eliminate duplicates L: 14 38.958 2.155 1.252 0.847 1.000 0.769 CB 1.653 13 residues pruned to eliminate duplicates M: 15 28.918 2.042 0.906 0.853 0.929 0.857 CB 1.581 15 residues pruned to eliminate duplicates N: 15 34.160 1.991 1.252 0.873 1.000 0.786 CB 1.484 O: 26 24.337 2.132 0.914 0.393 0.880 0.560 CB 1.518 P: 12 33.071 2.370 0.956 0.850 0.909 0.909 CB 1.752 12 residues pruned to eliminate duplicates Q: 13 33.854 2.149 0.966 0.877 1.000 0.833 CB 1.680 13 residues pruned to eliminate duplicates R: 11 32.424 2.294 1.298 0.924 1.000 0.900 CB 1.365 11 residues pruned to eliminate duplicates S: 16 29.625 2.130 0.791 0.925 0.933 0.867 CB 1.508 T: 15 26.270 1.973 0.820 0.875 1.000 0.929 CA 1.422 15 residues pruned to eliminate duplicates U: 95 60.352 2.157 0.949 0.532 0.926 0.617 CB 1.551 45 residues pruned to eliminate duplicates V: 15 27.760 2.011 0.829 0.848 1.000 0.786 CA 1.497 15 residues pruned to eliminate duplicates W: 49 45.354 2.131 1.040 0.521 0.958 0.708 CB 1.539 49 residues pruned to eliminate duplicates X: 96 63.405 2.147 0.966 0.553 0.968 0.684 CB 1.511 94 residues pruned to eliminate duplicates Y: 17 29.106 2.072 0.757 0.914 1.000 0.938 CB 1.413 5 residues pruned to eliminate duplicates Z: 12 25.113 2.204 0.878 0.892 1.000 0.909 CB 1.313 12 residues pruned to eliminate duplicates Z: 15 36.452 2.228 0.886 0.942 1.000 0.929 CB 1.608 15 residues pruned to eliminate duplicates Z: 15 29.025 2.030 1.366 0.816 0.929 0.857 CB 1.321 15 residues pruned to eliminate duplicates Z: 94 55.230 2.084 0.990 0.549 0.914 0.656 CB 1.440 16 residues pruned to eliminate duplicates Z: 14 24.393 2.118 0.700 0.939 1.000 0.846 CB 1.306 14 residues pruned to eliminate duplicates Z: 16 30.274 2.161 0.850 0.918 1.000 0.800 CB 1.378 17 residues pruned to eliminate duplicates Z: 14 24.641 2.087 0.830 0.789 1.000 0.846 CA 1.389 14 residues pruned to eliminate duplicates Z: 11 27.595 2.320 0.673 0.911 1.000 0.900 CA 1.594 11 residues pruned to eliminate duplicates Z: 21 18.852 2.042 0.938 0.415 0.800 0.650 CB 1.455 21 residues pruned to eliminate duplicates Z: 13 31.687 2.173 1.274 0.848 0.917 0.917 CA 1.498 13 residues pruned to eliminate duplicates Z: 61 48.207 2.120 0.947 0.570 0.967 0.667 CB 1.459 61 residues pruned to eliminate duplicates Z: 15 10.270 1.959 0.972 0.343 0.857 0.571 CB 0.983 Z: 94 64.453 2.181 0.923 0.545 0.968 0.634 CB 1.575 94 residues pruned to eliminate duplicates Z: 15 30.421 1.953 1.073 0.825 1.000 0.786 CA 1.515 15 residues pruned to eliminate duplicates Z: 11 34.129 2.318 1.062 0.927 1.000 0.900 CB 1.582 11 residues pruned to eliminate duplicates Z: 15 30.693 1.976 1.087 0.861 1.000 0.786 CA 1.461 15 residues pruned to eliminate duplicates Z: 17 23.353 2.022 0.680 0.869 0.938 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 16 29.912 2.108 0.819 0.890 1.000 0.800 CB 1.450 16 residues pruned to eliminate duplicates Z: 17 26.258 1.963 0.864 0.912 0.938 0.750 CB 1.356 17 residues pruned to eliminate duplicates Z: 12 26.371 2.276 0.942 0.843 0.909 0.818 CB 1.473 12 residues pruned to eliminate duplicates Z: 16 29.190 2.122 0.772 0.896 1.000 0.867 CB 1.435 16 residues pruned to eliminate duplicates Z: 19 29.362 2.034 1.198 0.513 0.944 0.667 CB 1.618 19 residues pruned to eliminate duplicates Z: 63 42.113 2.170 0.887 0.519 0.919 0.694 CB 1.393 51 residues pruned to eliminate duplicates Z: 18 28.248 2.006 0.890 0.885 0.941 0.824 CB 1.387 18 residues pruned to eliminate duplicates Z: 110 59.808 2.091 0.957 0.538 0.963 0.651 CB 1.400 92 residues pruned to eliminate duplicates Z: 16 27.925 2.065 0.720 0.926 1.000 0.867 CB 1.423 16 residues pruned to eliminate duplicates Z: 26 22.711 2.125 0.980 0.460 0.880 0.720 CB 1.278 15 residues pruned to eliminate duplicates Z: 58 31.461 2.058 0.820 0.436 0.895 0.544 CB 1.329 48 residues pruned to eliminate duplicates Z: 12 29.791 2.319 0.996 0.841 0.909 0.727 CA 1.591 12 residues pruned to eliminate duplicates Z: 46 38.387 2.155 0.884 0.501 0.933 0.667 CB 1.509 46 residues pruned to eliminate duplicates Z: 13 31.029 2.186 1.078 0.864 0.917 0.833 CB 1.577 13 residues pruned to eliminate duplicates Z: 14 19.730 1.918 0.976 0.560 1.000 0.769 CB 1.362 Z: 15 17.950 1.730 0.807 0.866 1.000 0.857 CB 1.123 15 residues pruned to eliminate duplicates Z: 14 30.309 2.222 0.872 0.939 1.000 0.846 CB 1.405 14 residues pruned to eliminate duplicates Z: 94 65.904 2.183 1.019 0.544 0.935 0.667 CB 1.588 95 residues pruned to eliminate duplicates Z: 16 33.935 2.124 0.853 0.947 1.000 0.933 CB 1.538 16 residues pruned to eliminate duplicates Z: 18 14.634 2.031 0.836 0.467 0.882 0.647 CB 1.115 16 residues pruned to eliminate duplicates Z: 12 22.988 2.278 0.438 0.836 1.000 0.909 CB 1.584 12 residues pruned to eliminate duplicates Z: 14 18.743 1.934 0.671 0.762 0.923 0.846 CB 1.381 14 residues pruned to eliminate duplicates Z: 32 22.867 1.848 1.017 0.532 0.903 0.774 CB 1.182 32 residues pruned to eliminate duplicates Z: 13 33.159 2.248 0.856 0.879 1.000 0.750 CB 1.664 13 residues pruned to eliminate duplicates Z: 94 52.693 2.111 0.880 0.553 0.935 0.677 CB 1.398 71 residues pruned to eliminate duplicates Z: 32 32.374 1.995 0.901 0.631 0.968 0.871 CB 1.401 32 residues pruned to eliminate duplicates Z: 15 29.330 1.954 0.989 0.886 1.000 0.929 CA 1.455 15 residues pruned to eliminate duplicates Z: 14 36.925 2.225 1.190 0.836 0.923 0.923 CB 1.704 14 residues pruned to eliminate duplicates Z: 17 24.000 2.115 0.756 0.871 0.875 0.812 CB 1.347 17 residues pruned to eliminate duplicates Z: 15 36.213 2.211 1.019 0.926 1.000 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 15 27.782 2.031 1.131 0.801 0.929 0.714 CB 1.420 15 residues pruned to eliminate duplicates Z: 15 13.528 1.793 0.954 0.574 0.786 0.786 CB 1.223 15 residues pruned to eliminate duplicates Z: 17 28.582 2.070 0.746 0.927 0.938 0.812 CA 1.478 17 residues pruned to eliminate duplicates Z: 16 31.005 2.055 0.971 0.908 1.000 0.867 CA 1.403 16 residues pruned to eliminate duplicates Z: 46 50.612 2.194 1.050 0.558 0.956 0.822 CB 1.659 46 residues pruned to eliminate duplicates Z: 29 20.788 2.035 0.880 0.481 0.893 0.643 CB 1.172 29 residues pruned to eliminate duplicates Z: 15 28.436 2.023 0.835 0.821 1.000 0.786 CA 1.549 15 residues pruned to eliminate duplicates Z: 51 36.337 2.064 0.830 0.526 0.940 0.580 CB 1.411 51 residues pruned to eliminate duplicates Z: 12 36.935 2.206 1.227 0.923 1.000 0.909 CA 1.593 12 residues pruned to eliminate duplicates Z: 23 17.254 2.018 0.879 0.493 1.000 0.545 CB 0.977 23 residues pruned to eliminate duplicates Z: 9 8.214 1.682 0.806 0.494 0.875 0.625 CB 1.099 9 residues pruned to eliminate duplicates Z: 10 23.845 2.313 0.483 0.921 1.000 0.889 CB 1.631 10 residues pruned to eliminate duplicates Z: 68 43.232 2.092 0.856 0.528 0.925 0.612 CB 1.431 68 residues pruned to eliminate duplicates Z: 49 45.687 2.081 1.230 0.492 0.917 0.604 CB 1.562 49 residues pruned to eliminate duplicates Z: 26 26.389 2.108 1.131 0.506 0.880 0.680 CB 1.327 28 residues pruned to eliminate duplicates Z: 9 14.223 1.957 0.760 0.631 0.750 0.625 CB 1.720 9 residues pruned to eliminate duplicates Z: 18 15.897 1.989 1.076 0.518 0.882 0.647 CB 1.039 17 residues pruned to eliminate duplicates Z: 14 27.974 2.113 0.790 0.942 1.000 0.846 CB 1.422 14 residues pruned to eliminate duplicates Z: 93 54.555 2.101 0.872 0.550 0.957 0.630 CB 1.439 93 residues pruned to eliminate duplicates Z: 25 32.914 2.020 1.004 0.613 0.958 0.500 CB 1.556 25 residues pruned to eliminate duplicates Z: 18 13.566 1.906 0.847 0.485 0.765 0.529 CB 1.240 18 residues pruned to eliminate duplicates Z: 47 51.547 2.190 1.080 0.556 0.957 0.717 CB 1.652 47 residues pruned to eliminate duplicates Z: 28 23.278 2.136 0.871 0.492 0.963 0.704 CB 1.174 27 residues pruned to eliminate duplicates Z: 14 33.542 2.156 0.946 0.854 1.000 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 16 23.734 2.068 0.512 0.922 0.933 0.733 CB 1.477 16 residues pruned to eliminate duplicates Z: 16 28.851 2.165 0.725 0.864 0.933 0.800 CB 1.566 16 residues pruned to eliminate duplicates Z: 48 51.117 2.177 1.064 0.539 0.979 0.702 CB 1.632 48 residues pruned to eliminate duplicates Z: 59 36.849 1.993 0.790 0.512 0.948 0.707 CB 1.413 59 residues pruned to eliminate duplicates Z: 12 18.275 1.967 0.743 0.570 1.000 0.727 CB 1.502 12 residues pruned to eliminate duplicates Z: 16 29.336 2.088 0.819 0.922 1.000 0.800 CB 1.402 16 residues pruned to eliminate duplicates Z: 16 28.379 2.106 0.721 0.933 1.000 0.867 CB 1.411 16 residues pruned to eliminate duplicates Z: 11 22.131 2.000 0.797 0.693 1.000 0.800 CB 1.632 11 residues pruned to eliminate duplicates Z: 25 22.701 2.035 0.838 0.400 0.917 0.625 CB 1.502 25 residues pruned to eliminate duplicates Z: 25 20.591 1.998 1.139 0.460 0.833 0.750 CB 1.230 19 residues pruned to eliminate duplicates Z: 16 24.226 2.025 0.641 0.907 1.000 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 11 22.388 2.289 0.685 0.903 0.900 0.900 CB 1.453 11 residues pruned to eliminate duplicates Z: 17 22.223 2.075 1.099 0.536 0.938 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 15 34.941 2.212 0.911 0.945 1.000 0.929 CB 1.529 15 residues pruned to eliminate duplicates Z: 15 26.400 2.226 0.470 0.942 1.000 1.000 CB 1.495 15 residues pruned to eliminate duplicates Z: 73 51.627 2.147 1.094 0.531 0.931 0.611 CB 1.411 79 residues pruned to eliminate duplicates Z: 12 25.707 2.138 1.130 0.911 1.000 0.727 CB 1.206 12 residues pruned to eliminate duplicates Z: 82 54.561 2.153 0.931 0.507 0.938 0.593 CB 1.544 82 residues pruned to eliminate duplicates Z: 14 14.728 1.999 0.893 0.594 0.923 0.846 CB 1.069 Z: 15 36.853 2.204 1.067 0.936 1.000 0.929 CB 1.506 15 residues pruned to eliminate duplicates Z: 8 10.495 1.988 1.025 0.435 0.714 0.429 CB 1.476 Z: 15 31.024 2.020 0.959 0.874 1.000 0.857 CB 1.525 15 residues pruned to eliminate duplicates Z: 40 36.738 2.091 0.976 0.599 0.923 0.513 CB 1.403 40 residues pruned to eliminate duplicates Z: 27 23.460 1.974 1.005 0.492 0.846 0.654 CB 1.385 27 residues pruned to eliminate duplicates Z: 15 34.363 2.009 1.246 0.872 1.000 0.714 CB 1.483 15 residues pruned to eliminate duplicates Z: 27 15.110 1.898 0.841 0.415 0.885 0.692 CB 1.047 Z: 8 20.612 1.986 1.133 0.881 1.000 1.000 CB 1.332 Z: 47 32.590 2.006 0.899 0.532 0.913 0.696 CB 1.338 47 residues pruned to eliminate duplicates Z: 9 18.118 2.032 0.746 0.764 1.000 0.875 CB 1.428 9 residues pruned to eliminate duplicates Z: 45 33.792 2.071 0.810 0.588 0.909 0.568 CB 1.374 45 residues pruned to eliminate duplicates Z: 49 38.239 2.054 0.954 0.541 0.938 0.812 CB 1.409 49 residues pruned to eliminate duplicates Z: 64 40.758 2.087 0.876 0.550 0.937 0.587 CB 1.333 72 residues pruned to eliminate duplicates Z: 19 12.573 1.905 0.951 0.407 0.944 0.611 CB 0.931 19 residues pruned to eliminate duplicates Z: 46 49.966 2.173 1.140 0.527 0.956 0.778 CB 1.632 46 residues pruned to eliminate duplicates Z: 28 33.579 2.006 0.914 0.604 1.000 0.667 CB 1.524 29 residues pruned to eliminate duplicates Z: 60 41.890 2.158 0.856 0.544 0.898 0.661 CB 1.451 60 residues pruned to eliminate duplicates Z: 54 42.856 2.181 0.856 0.521 0.925 0.679 CB 1.541 54 residues pruned to eliminate duplicates Z: 25 18.974 1.911 1.119 0.454 0.917 0.792 CB 1.093 25 residues pruned to eliminate duplicates Z: 46 35.177 2.074 0.815 0.568 0.933 0.556 CB 1.397 46 residues pruned to eliminate duplicates Z: 30 19.493 2.007 0.691 0.424 0.966 0.655 CB 1.196 18 residues pruned to eliminate duplicates Z: 14 20.323 1.969 0.701 0.657 1.000 0.923 CB 1.455 14 residues pruned to eliminate duplicates Z: 16 28.719 2.069 0.787 0.898 0.933 0.667 CB 1.537 16 residues pruned to eliminate duplicates Z: 21 15.847 1.920 0.874 0.448 0.900 0.600 CB 1.154 22 residues pruned to eliminate duplicates Z: 16 28.132 2.117 0.664 0.944 1.000 1.000 CB 1.428 16 residues pruned to eliminate duplicates Z: 93 49.465 2.119 0.763 0.553 0.913 0.663 CB 1.437 93 residues pruned to eliminate duplicates Z: 10 11.813 1.877 1.396 0.615 0.778 0.667 CB 1.010 10 residues pruned to eliminate duplicates Z: 75 50.302 2.133 1.013 0.545 0.892 0.635 CB 1.461 75 residues pruned to eliminate duplicates Z: 94 48.109 2.100 0.783 0.538 0.935 0.688 CB 1.372 94 residues pruned to eliminate duplicates Z: 60 48.483 2.126 1.023 0.578 0.932 0.678 CB 1.461 60 residues pruned to eliminate duplicates Z: 14 24.146 1.994 0.880 0.785 1.000 0.462 CA 1.390 14 residues pruned to eliminate duplicates Z: 13 16.350 1.808 0.665 0.870 1.000 0.917 CB 1.145 13 residues pruned to eliminate duplicates Z: 13 17.605 1.758 0.817 0.833 1.000 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 18 20.159 2.020 1.110 0.502 0.941 0.529 CB 1.216 18 residues pruned to eliminate duplicates Z: 15 34.352 2.202 0.838 0.910 1.000 0.714 CB 1.610 15 residues pruned to eliminate duplicates Z: 31 17.687 1.975 0.792 0.305 0.900 0.500 CB 1.259 31 residues pruned to eliminate duplicates Z: 10 8.513 1.874 0.797 0.322 0.778 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 93 51.938 2.121 0.833 0.534 0.946 0.674 CB 1.425 93 residues pruned to eliminate duplicates Z: 55 35.239 2.040 0.863 0.497 0.907 0.630 CB 1.394 55 residues pruned to eliminate duplicates Z: 41 40.947 2.098 1.169 0.518 0.925 0.600 CB 1.511 41 residues pruned to eliminate duplicates Z: 28 15.473 1.913 0.894 0.451 0.778 0.630 CB 1.111 28 residues pruned to eliminate duplicates Z: 15 33.733 2.188 1.013 0.943 0.929 0.714 CB 1.527 15 residues pruned to eliminate duplicates Z: 72 38.807 1.990 0.877 0.500 0.915 0.662 CB 1.347 165 residues pruned to eliminate duplicates Z: 20 20.065 1.952 0.567 0.516 1.000 0.789 CB 1.481 20 residues pruned to eliminate duplicates Z: 93 51.078 2.102 0.854 0.561 0.913 0.674 CB 1.411 Z: 18 11.259 1.918 0.779 0.467 0.824 0.588 CB 1.005 18 residues pruned to eliminate duplicates Z: 44 32.883 1.966 0.852 0.545 0.930 0.605 CB 1.416 44 residues pruned to eliminate duplicates Z: 34 34.539 2.043 0.903 0.598 0.939 0.818 CB 1.498 34 residues pruned to eliminate duplicates Z: 16 28.959 2.045 1.146 0.783 0.933 0.400 CB 1.423 16 residues pruned to eliminate duplicates Z: 12 21.469 1.962 1.021 0.654 1.000 0.818 CB 1.415 13 residues pruned to eliminate duplicates Z: 17 32.001 2.092 0.824 0.874 1.000 0.562 CA 1.525 17 residues pruned to eliminate duplicates Z: 16 26.895 2.110 0.553 0.941 1.000 0.933 CB 1.471 16 residues pruned to eliminate duplicates Z: 17 22.588 2.052 0.778 0.517 1.000 0.750 CB 1.522 17 residues pruned to eliminate duplicates Z: 16 29.555 2.141 0.848 0.901 0.933 0.600 CB 1.475 16 residues pruned to eliminate duplicates Z: 11 11.774 1.870 0.788 0.641 0.800 0.700 CB 1.220 11 residues pruned to eliminate duplicates Z: 13 9.271 1.614 0.713 0.546 0.917 0.667 CB 1.009 13 residues pruned to eliminate duplicates Z: 11 10.601 1.819 0.852 0.618 0.800 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 29 20.172 1.893 0.997 0.434 0.964 0.714 CB 1.120 29 residues pruned to eliminate duplicates Z: 15 21.992 1.942 0.687 0.848 0.929 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 16 28.497 2.127 0.749 0.940 1.000 0.667 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 38.712 2.209 1.089 0.950 1.000 0.643 CB 1.547 15 residues pruned to eliminate duplicates Z: 7 13.387 2.073 0.909 0.654 0.833 0.833 CB 1.436 7 residues pruned to eliminate duplicates Z: 13 17.197 1.744 1.081 0.833 0.917 0.917 CB 1.120 13 residues pruned to eliminate duplicates Z: 17 22.715 2.000 0.637 0.890 0.938 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 69 36.345 2.049 0.926 0.518 0.912 0.544 CB 1.203 69 residues pruned to eliminate duplicates Z: 16 22.396 2.005 0.501 0.925 1.000 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 31 31.745 2.012 0.857 0.619 1.000 0.833 CB 1.387 31 residues pruned to eliminate duplicates Z: 18 15.440 2.005 0.904 0.485 0.824 0.706 CB 1.209 18 residues pruned to eliminate duplicates Z: 11 12.890 1.811 0.844 0.614 0.900 0.800 CB 1.217 11 residues pruned to eliminate duplicates Z: 16 29.212 2.105 0.815 0.898 1.000 0.800 CB 1.412 16 residues pruned to eliminate duplicates Z: 9 16.952 1.892 0.977 0.800 1.000 0.750 CB 1.232 9 residues pruned to eliminate duplicates Z: 18 15.934 1.919 0.772 0.569 0.824 0.706 CB 1.291 26 residues pruned to eliminate duplicates Z: 16 7.793 1.750 0.582 0.328 0.933 0.667 CB 0.941 16 residues pruned to eliminate duplicates Z: 20 11.166 1.704 0.720 0.401 0.789 0.526 CB 1.229 20 residues pruned to eliminate duplicates Z: 11 10.970 1.869 0.999 0.430 0.800 0.600 CA 1.248 12 residues pruned to eliminate duplicates Z: 24 31.126 2.087 0.960 0.656 0.913 0.739 CB 1.503 24 residues pruned to eliminate duplicates Z: 16 30.679 2.145 0.791 0.951 1.000 0.733 CB 1.421 16 residues pruned to eliminate duplicates Z: 53 36.577 2.029 0.959 0.503 0.923 0.654 CB 1.379 53 residues pruned to eliminate duplicates Z: 16 22.951 2.064 0.440 0.870 1.000 0.933 CA 1.456 16 residues pruned to eliminate duplicates Z: 16 13.452 1.928 0.616 0.396 0.800 0.467 CB 1.555 16 residues pruned to eliminate duplicates Z: 45 33.771 2.028 0.908 0.509 0.932 0.705 CB 1.400 45 residues pruned to eliminate duplicates Z: 13 10.004 1.729 0.764 0.513 0.833 0.667 CB 1.122 Z: 9 16.615 1.852 0.868 0.852 1.000 1.000 CB 1.256 11 residues pruned to eliminate duplicates Z: 14 18.104 1.844 0.717 0.840 1.000 0.615 CB 1.184 14 residues pruned to eliminate duplicates Z: 91 48.281 2.091 0.970 0.506 0.900 0.622 CB 1.364 182 residues pruned to eliminate duplicates Z: 11 16.329 1.870 0.686 0.685 1.000 0.700 CB 1.382 11 residues pruned to eliminate duplicates Z: 6 6.822 1.626 0.672 0.666 0.800 0.800 CA 1.203 Z: 12 13.461 1.827 0.535 0.883 1.000 0.909 CB 1.046 12 residues pruned to eliminate duplicates Z: 16 25.823 2.101 0.533 0.909 0.933 0.800 CA 1.574 16 residues pruned to eliminate duplicates Z: 14 9.069 1.882 0.840 0.331 0.769 0.462 CB 1.137 14 residues pruned to eliminate duplicates Z: 12 15.050 1.906 0.977 0.516 1.000 0.818 CB 1.185 12 residues pruned to eliminate duplicates Z: 11 17.179 1.885 0.934 0.642 1.000 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 6 3.410 1.335 0.274 0.589 1.000 1.000 CB 0.823 6 residues pruned to eliminate duplicates Z: 15 29.889 2.003 0.926 0.834 1.000 0.857 CB 1.553 15 residues pruned to eliminate duplicates Z: 13 24.255 1.991 0.680 0.878 1.000 0.667 CB 1.519 13 residues pruned to eliminate duplicates Z: 13 17.791 1.841 0.775 0.814 1.000 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 15 22.396 2.099 0.463 0.945 1.000 0.929 CB 1.349 Z: 13 11.785 1.976 0.829 0.510 0.833 0.583 CB 1.119 13 residues pruned to eliminate duplicates Z: 12 14.281 1.827 0.805 0.659 0.909 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 22 23.048 2.033 1.148 0.355 0.905 0.524 CB 1.490 22 residues pruned to eliminate duplicates Z: 15 26.702 2.180 0.600 0.942 1.000 0.929 CB 1.419 15 residues pruned to eliminate duplicates Z: 76 50.271 2.133 1.030 0.529 0.907 0.640 CB 1.436 76 residues pruned to eliminate duplicates Z: 61 37.132 2.045 0.838 0.502 0.933 0.583 CB 1.364 61 residues pruned to eliminate duplicates Z: 9 18.654 2.089 1.256 0.823 1.000 1.000 CB 1.058 9 residues pruned to eliminate duplicates Z: 76 48.878 2.150 0.878 0.540 0.933 0.667 CB 1.440 76 residues pruned to eliminate duplicates Z: 10 14.057 1.855 1.042 0.631 0.778 0.778 C 1.406 10 residues pruned to eliminate duplicates Z: 10 19.646 2.091 0.866 0.595 1.000 1.000 CB 1.533 Z: 46 33.465 1.947 0.958 0.524 0.933 0.578 CB 1.369 46 residues pruned to eliminate duplicates Z: 13 11.105 1.991 0.571 0.399 0.917 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 32.947 2.140 0.893 0.859 1.000 0.923 CB 1.660 14 residues pruned to eliminate duplicates Z: 23 25.028 2.120 0.804 0.547 1.000 0.591 CB 1.332 23 residues pruned to eliminate duplicates Z: 12 31.902 2.331 1.142 0.862 1.000 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 14 20.092 1.952 0.961 0.579 1.000 0.923 CB 1.350 14 residues pruned to eliminate duplicates Z: 66 41.205 2.107 0.871 0.496 0.938 0.585 CB 1.387 66 residues pruned to eliminate duplicates Z: 15 25.037 2.060 0.548 0.923 1.000 1.000 CB 1.475 14 residues pruned to eliminate duplicates Z: 16 22.881 2.016 0.454 0.932 1.000 0.867 CB 1.408 16 residues pruned to eliminate duplicates Z: 6 10.044 1.954 0.688 0.648 1.000 0.800 CB 1.186 6 residues pruned to eliminate duplicates Z: 19 17.809 1.843 0.586 0.486 1.000 0.778 CB 1.456 19 residues pruned to eliminate duplicates Z: 25 19.800 1.986 0.834 0.381 0.833 0.583 CB 1.511 25 residues pruned to eliminate duplicates Z: 38 20.469 1.999 0.856 0.408 0.892 0.568 CB 1.120 38 residues pruned to eliminate duplicates Z: 23 30.820 2.066 0.924 0.696 0.909 0.864 CB 1.520 23 residues pruned to eliminate duplicates Z: 8 4.211 1.570 0.554 0.323 0.714 0.286 CB 1.109 8 residues pruned to eliminate duplicates Z: 6 3.677 1.608 0.510 0.435 0.800 0.400 CA 0.906 6 residues pruned to eliminate duplicates Z: 18 11.676 1.681 0.800 0.397 0.882 0.706 CB 1.183 18 residues pruned to eliminate duplicates Z: 93 67.354 2.188 0.963 0.566 0.989 0.696 CB 1.550 94 residues pruned to eliminate duplicates Z: 25 23.029 2.047 1.130 0.505 0.917 0.625 CB 1.171 25 residues pruned to eliminate duplicates Z: 17 26.918 1.993 0.956 0.944 0.938 0.625 CB 1.275 17 residues pruned to eliminate duplicates Z: 10 12.716 1.868 0.851 0.653 0.889 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 7 4.115 1.597 0.185 0.297 1.000 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 36 29.347 1.964 0.914 0.486 0.914 0.571 CB 1.464 36 residues pruned to eliminate duplicates Z: 18 14.570 1.979 0.824 0.467 0.941 0.647 CB 1.075 18 residues pruned to eliminate duplicates Z: 13 14.106 1.838 0.668 0.785 0.917 0.667 CB 1.128 13 residues pruned to eliminate duplicates Z: 26 32.230 2.059 0.878 0.636 0.960 0.600 CB 1.528 26 residues pruned to eliminate duplicates Z: 14 15.551 1.786 0.518 0.869 1.000 0.846 CB 1.162 14 residues pruned to eliminate duplicates Z: 20 24.793 1.983 0.799 0.505 1.000 0.737 CB 1.586 Z: 51 34.776 2.058 0.885 0.516 0.920 0.700 CB 1.357 51 residues pruned to eliminate duplicates Z: 17 21.899 2.022 0.533 0.910 0.938 0.875 CB 1.336 17 residues pruned to eliminate duplicates Z: 9 7.630 1.677 0.830 0.755 1.000 0.875 CB 0.700 Z: 12 14.097 1.942 1.130 0.584 0.909 0.818 CB 1.042 12 residues pruned to eliminate duplicates Z: 64 41.073 2.060 0.887 0.505 0.889 0.667 CB 1.491 64 residues pruned to eliminate duplicates Z: 17 21.972 2.002 0.572 0.881 0.938 0.562 CB 1.349 17 residues pruned to eliminate duplicates Z: 13 16.706 1.810 0.561 0.875 1.000 1.000 CB 1.241 Z: 59 34.266 1.978 0.807 0.490 0.931 0.672 CB 1.365 48 residues pruned to eliminate duplicates Z: 6 4.146 1.570 0.060 0.466 1.000 0.600 N 1.153 Z: 14 28.975 2.184 0.832 0.936 1.000 0.692 CB 1.399 14 residues pruned to eliminate duplicates Z: 16 24.146 2.091 0.462 0.939 1.000 0.933 CB 1.417 16 residues pruned to eliminate duplicates Z: 6 4.967 1.515 0.275 0.643 0.800 0.400 CA 1.258 6 residues pruned to eliminate duplicates Z: 7 2.918 1.517 0.878 0.583 0.667 0.667 CA 0.579 7 residues pruned to eliminate duplicates Z: 44 16.836 1.798 0.627 0.424 0.884 0.558 CB 1.074 44 residues pruned to eliminate duplicates Z: 14 28.908 2.110 0.941 0.931 1.000 0.538 CB 1.368 15 residues pruned to eliminate duplicates Z: 26 19.026 2.083 0.725 0.501 0.960 0.720 CB 1.102 26 residues pruned to eliminate duplicates Z: 24 22.229 1.947 1.219 0.501 0.913 0.739 CB 1.174 24 residues pruned to eliminate duplicates Z: 8 2.988 1.431 0.593 0.402 0.714 0.286 CB 0.769 8 residues pruned to eliminate duplicates Z: 32 16.489 1.936 0.957 0.426 0.871 0.613 CB 0.970 32 residues pruned to eliminate duplicates Z: 41 25.485 2.006 0.824 0.515 0.950 0.775 CB 1.142 41 residues pruned to eliminate duplicates Z: 10 11.951 1.908 0.635 0.670 0.889 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 49 35.823 2.066 0.899 0.542 0.979 0.688 CB 1.292 49 residues pruned to eliminate duplicates Z: 14 18.968 1.816 0.790 0.876 0.923 0.462 CB 1.275 14 residues pruned to eliminate duplicates Z: 52 41.061 2.047 0.942 0.556 0.961 0.706 CB 1.426 53 residues pruned to eliminate duplicates Z: 109 61.725 2.111 1.063 0.539 0.935 0.685 CB 1.404 177 residues pruned to eliminate duplicates Z: 52 36.484 1.992 1.053 0.521 0.902 0.608 CB 1.356 Z: 15 32.104 2.246 0.814 0.948 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 12 16.484 1.859 0.868 0.590 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 16 3.660 1.492 0.175 0.277 0.800 0.200 CB 0.868 16 residues pruned to eliminate duplicates Z: 17 16.837 2.022 0.981 0.492 0.875 0.750 CB 1.211 17 residues pruned to eliminate duplicates Z: 26 25.380 2.025 0.863 0.495 0.920 0.560 CB 1.470 26 residues pruned to eliminate duplicates Z: 6 5.739 1.981 0.429 0.465 1.000 0.400 CB 0.940 6 residues pruned to eliminate duplicates Z: 14 13.193 1.761 0.462 0.797 0.923 0.846 CB 1.186 14 residues pruned to eliminate duplicates Z: 11 11.026 1.770 0.724 0.573 0.900 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 43 26.716 2.032 0.993 0.478 0.810 0.548 CB 1.286 43 residues pruned to eliminate duplicates Z: 8 7.870 1.893 0.711 0.559 0.857 0.857 CB 1.012 8 residues pruned to eliminate duplicates Z: 21 22.481 2.076 0.960 0.454 0.900 0.550 CB 1.439 21 residues pruned to eliminate duplicates Z: 16 27.064 2.068 0.909 0.914 0.933 0.800 CB 1.341 Z: 16 17.038 1.896 1.087 0.547 0.867 0.667 CB 1.225 16 residues pruned to eliminate duplicates Z: 95 51.525 2.083 0.857 0.552 0.947 0.681 CB 1.379 74 residues pruned to eliminate duplicates Z: 16 24.065 1.999 0.609 0.903 1.000 1.000 CB 1.377 16 residues pruned to eliminate duplicates Z: 25 23.339 1.958 0.825 0.615 0.917 0.625 CB 1.305 25 residues pruned to eliminate duplicates Z: 16 36.500 2.117 0.958 0.946 1.000 0.533 CB 1.572 16 residues pruned to eliminate duplicates Z: 16 25.782 2.076 0.658 0.903 1.000 0.867 CB 1.379 16 residues pruned to eliminate duplicates Z: 8 7.946 1.502 0.447 0.806 1.000 0.714 CB 1.058 8 residues pruned to eliminate duplicates Z: 15 9.983 1.951 0.752 0.454 0.857 0.643 CB 0.955 15 residues pruned to eliminate duplicates Z: 14 11.055 1.824 0.648 0.538 0.846 0.692 CB 1.162 14 residues pruned to eliminate duplicates Z: 11 18.765 1.919 0.853 0.752 1.000 1.000 CB 1.333 11 residues pruned to eliminate duplicates Z: 20 38.400 2.137 1.330 0.697 0.947 0.632 CB 1.560 20 residues pruned to eliminate duplicates Z: 16 10.595 1.792 0.592 0.436 0.800 0.600 CB 1.280 16 residues pruned to eliminate duplicates Z: 17 31.531 2.066 0.865 0.925 1.000 0.812 CB 1.435 17 residues pruned to eliminate duplicates Z: 10 33.217 2.274 1.056 0.917 1.000 0.778 CB 1.672 13 residues pruned to eliminate duplicates Z: 44 37.637 2.101 1.023 0.537 0.930 0.628 CB 1.400 44 residues pruned to eliminate duplicates Z: 21 28.895 2.060 1.029 0.512 0.950 0.700 CA 1.608 21 residues pruned to eliminate duplicates Z: 8 13.818 1.956 1.019 0.732 0.857 0.857 CB 1.252 8 residues pruned to eliminate duplicates Z: 18 25.349 1.961 0.701 0.902 0.941 0.824 CB 1.397 18 residues pruned to eliminate duplicates Z: 34 31.728 1.985 0.860 0.508 0.970 0.697 CA 1.531 34 residues pruned to eliminate duplicates Z: 26 19.633 2.090 0.907 0.395 0.800 0.560 CB 1.377 26 residues pruned to eliminate duplicates Z: 7 6.451 1.686 0.515 0.485 1.000 0.667 CA 1.046 7 residues pruned to eliminate duplicates Z: 14 18.839 1.817 0.745 0.861 1.000 0.846 CB 1.211 14 residues pruned to eliminate duplicates Z: 24 23.592 1.916 0.758 0.570 0.957 0.739 CB 1.426 24 residues pruned to eliminate duplicates Z: 12 12.918 1.742 0.961 0.590 0.818 0.636 CB 1.279 12 residues pruned to eliminate duplicates Z: 60 43.003 2.183 0.751 0.526 0.983 0.627 CB 1.452 60 residues pruned to eliminate duplicates Z: 53 36.009 2.040 0.914 0.538 0.904 0.731 CB 1.363 53 residues pruned to eliminate duplicates Z: 12 4.991 1.502 0.584 0.369 0.727 0.727 CB 1.001 12 residues pruned to eliminate duplicates Z: 7 3.620 1.628 0.237 0.428 0.833 0.833 CA 0.950 7 residues pruned to eliminate duplicates Z: 10 11.706 1.742 0.937 0.617 0.889 0.889 CB 1.165 10 residues pruned to eliminate duplicates Z: 76 51.976 2.122 1.007 0.540 0.933 0.667 CB 1.451 76 residues pruned to eliminate duplicates Z: 65 45.216 2.106 0.904 0.520 0.938 0.719 CB 1.474 65 residues pruned to eliminate duplicates Z: 11 5.724 1.629 1.125 0.488 0.800 0.700 CB 0.662 11 residues pruned to eliminate duplicates Z: 12 11.177 1.944 0.786 0.444 1.000 0.727 CB 1.028 12 residues pruned to eliminate duplicates Z: 13 14.039 1.765 0.663 0.808 0.917 0.833 CB 1.151 13 residues pruned to eliminate duplicates Z: 24 21.535 1.958 1.181 0.496 0.957 0.739 CB 1.104 24 residues pruned to eliminate duplicates Z: 26 17.186 1.921 0.783 0.381 0.840 0.480 CB 1.355 26 residues pruned to eliminate duplicates Z: 52 36.817 2.138 0.816 0.534 0.941 0.627 CB 1.365 52 residues pruned to eliminate duplicates Z: 29 30.093 2.009 0.699 0.614 1.000 0.679 CB 1.497 29 residues pruned to eliminate duplicates Z: 8 9.422 1.775 0.829 0.543 0.857 0.571 CB 1.228 8 residues pruned to eliminate duplicates Z: 18 4.266 1.391 0.212 0.285 0.824 0.353 CB 0.949 Z: 12 7.306 1.912 0.376 0.308 1.000 0.455 CB 1.036 12 residues pruned to eliminate duplicates Z: 9 16.946 2.163 0.871 0.613 0.875 0.875 CB 1.520 9 residues pruned to eliminate duplicates Z: 21 16.610 1.858 0.855 0.612 0.900 0.650 CB 1.077 21 residues pruned to eliminate duplicates Z: 17 23.703 2.009 0.722 0.861 0.938 0.812 CB 1.342 17 residues pruned to eliminate duplicates Z: 14 12.354 1.692 0.551 0.525 0.923 0.615 CB 1.380 14 residues pruned to eliminate duplicates Z: 55 42.141 2.156 0.892 0.537 0.944 0.648 CB 1.435 55 residues pruned to eliminate duplicates Z: 7 4.258 1.580 0.075 0.442 1.000 0.333 CB 1.086 7 residues pruned to eliminate duplicates Z: 15 27.373 2.131 1.101 0.453 1.000 0.643 CB 1.713 15 residues pruned to eliminate duplicates Z: 20 13.182 1.769 0.712 0.540 0.789 0.632 CB 1.216 20 residues pruned to eliminate duplicates Z: 9 6.433 1.640 0.659 0.308 1.000 0.375 CB 1.034 9 residues pruned to eliminate duplicates Z: 10 11.451 1.950 0.780 0.520 0.889 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 43 41.382 2.084 0.941 0.583 0.976 0.595 CA 1.494 43 residues pruned to eliminate duplicates Z: 18 17.621 1.935 0.887 0.500 0.824 0.647 CB 1.421 18 residues pruned to eliminate duplicates Z: 33 19.406 1.840 0.727 0.495 0.906 0.625 CB 1.197 33 residues pruned to eliminate duplicates Z: 37 26.637 2.053 0.767 0.521 0.917 0.583 CB 1.307 37 residues pruned to eliminate duplicates Z: 10 8.556 1.608 0.478 0.740 0.889 0.556 CB 1.088 10 residues pruned to eliminate duplicates Z: 6 2.578 1.497 0.166 0.398 0.800 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 20 15.388 1.923 1.025 0.474 0.842 0.632 CB 1.105 20 residues pruned to eliminate duplicates Z: 10 25.697 2.025 1.274 0.736 1.000 1.000 CB 1.505 10 residues pruned to eliminate duplicates Z: 15 24.263 2.055 1.208 0.475 0.929 0.786 CB 1.579 15 residues pruned to eliminate duplicates Z: 45 30.144 2.001 0.924 0.423 0.909 0.614 CB 1.407 45 residues pruned to eliminate duplicates Z: 16 27.336 2.032 0.753 0.919 1.000 0.933 CB 1.397 16 residues pruned to eliminate duplicates Z: 8 4.908 1.406 0.812 0.560 0.857 0.714 C 0.801 8 residues pruned to eliminate duplicates Z: 13 29.786 2.096 1.081 0.848 1.000 0.750 CB 1.463 13 residues pruned to eliminate duplicates Z: 14 18.987 1.775 0.811 0.834 1.000 0.692 CB 1.228 14 residues pruned to eliminate duplicates Z: 10 19.114 1.969 1.075 0.734 0.889 0.889 CB 1.421 10 residues pruned to eliminate duplicates Z: 15 24.579 2.075 0.833 0.926 1.000 0.500 CB 1.211 15 residues pruned to eliminate duplicates Z: 61 42.030 2.122 0.784 0.572 0.950 0.617 CB 1.408 59 residues pruned to eliminate duplicates Z: 30 27.028 1.969 0.926 0.546 0.862 0.655 CB 1.468 30 residues pruned to eliminate duplicates Z: 43 37.373 2.143 0.866 0.594 0.976 0.595 CB 1.350 43 residues pruned to eliminate duplicates Z: 13 17.298 1.771 0.768 0.870 1.000 0.583 CB 1.164 13 residues pruned to eliminate duplicates Z: 13 20.373 1.827 0.973 0.825 1.000 0.583 CA 1.231 13 residues pruned to eliminate duplicates Z: 13 25.505 2.057 0.795 0.921 1.000 0.750 CA 1.404 13 residues pruned to eliminate duplicates Z: 19 18.332 1.886 1.066 0.402 0.889 0.611 CB 1.384 19 residues pruned to eliminate duplicates Z: 94 53.342 2.078 0.915 0.563 0.914 0.720 CB 1.431 94 residues pruned to eliminate duplicates Z: 34 39.040 2.139 0.763 0.605 1.000 0.848 CB 1.631 34 residues pruned to eliminate duplicates Z: 15 20.461 2.146 1.082 0.412 0.929 0.714 CB 1.445 15 residues pruned to eliminate duplicates Z: 14 13.084 1.875 1.035 0.239 0.923 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 8 9.631 1.821 0.559 0.843 1.000 1.000 CB 0.954 8 residues pruned to eliminate duplicates Z: 8 8.168 1.782 1.114 0.739 1.000 0.857 CB 0.662 Z: 11 13.813 2.046 0.731 0.594 1.000 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 15 27.430 2.093 0.796 0.936 1.000 1.000 CB 1.358 15 residues pruned to eliminate duplicates Z: 32 16.424 1.920 0.895 0.437 0.806 0.516 CB 1.072 32 residues pruned to eliminate duplicates Z: 64 38.889 2.041 0.815 0.545 0.921 0.619 CB 1.374 64 residues pruned to eliminate duplicates Z: 10 4.690 1.554 0.048 0.531 0.889 0.778 CB 1.047 Z: 11 11.067 1.752 0.598 0.471 1.000 0.800 CB 1.287 11 residues pruned to eliminate duplicates Z: 33 31.304 1.920 0.979 0.618 0.969 0.750 CB 1.344 33 residues pruned to eliminate duplicates Z: 32 33.469 1.977 1.142 0.628 0.935 0.645 CB 1.345 32 residues pruned to eliminate duplicates Z: 35 41.987 2.167 1.029 0.535 0.971 0.794 CB 1.630 35 residues pruned to eliminate duplicates Z: 36 26.047 1.946 0.798 0.530 0.943 0.571 CB 1.295 36 residues pruned to eliminate duplicates Z: 32 35.028 1.998 1.031 0.649 0.968 0.806 CB 1.395 33 residues pruned to eliminate duplicates Z: 8 11.764 1.883 0.622 0.767 1.000 0.857 CB 1.149 8 residues pruned to eliminate duplicates Z: 6 2.820 1.597 -0.406 0.625 1.000 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 14 21.159 1.822 0.906 0.864 1.000 0.923 CB 1.239 14 residues pruned to eliminate duplicates Z: 13 24.482 2.157 0.852 0.844 0.917 0.667 CB 1.437 13 residues pruned to eliminate duplicates Z: 18 22.815 2.014 1.074 0.505 0.882 0.765 CB 1.495 18 residues pruned to eliminate duplicates Z: 52 34.842 2.056 0.890 0.524 0.922 0.667 CB 1.331 52 residues pruned to eliminate duplicates Z: 18 11.805 1.879 0.551 0.439 0.941 0.471 CB 1.111 18 residues pruned to eliminate duplicates Z: 69 53.213 2.161 1.033 0.545 0.926 0.632 CB 1.517 69 residues pruned to eliminate duplicates Z: 56 34.131 2.097 0.799 0.504 0.891 0.582 CB 1.363 56 residues pruned to eliminate duplicates Z: 15 22.760 2.103 0.841 0.483 0.929 0.714 CA 1.721 15 residues pruned to eliminate duplicates Z: 48 32.113 2.055 0.827 0.471 0.936 0.681 CB 1.373 48 residues pruned to eliminate duplicates Z: 43 27.009 2.011 0.827 0.480 0.881 0.643 CB 1.314 43 residues pruned to eliminate duplicates Z: 13 13.222 1.637 0.618 0.768 0.917 0.833 CB 1.240 13 residues pruned to eliminate duplicates Z: 8 23.285 2.284 0.781 0.762 1.000 1.000 CA 1.714 8 residues pruned to eliminate duplicates Z: 22 22.034 1.977 1.043 0.625 0.905 0.714 CB 1.170 22 residues pruned to eliminate duplicates 396 residues left after pruning, divided into chains as follows: A: 134 B: 133 C: 41 D: 10 E: 78 CC for partial structure against native data = 42.40 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.441, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.512, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 0.618, Connect. = 0.790 for dens.mod. cycle 3 = 0.300, Contrast = 0.633, Connect. = 0.793 for dens.mod. cycle 4 = 0.300, Contrast = 0.648, Connect. = 0.795 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.663, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.669, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.673, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.676, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2340 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 536 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 24.891 2.252 0.519 0.907 1.000 0.909 CB 1.559 B: 10 31.588 2.396 0.804 0.918 1.000 0.889 CB 1.717 12 residues pruned to eliminate duplicates C: 11 41.866 2.474 1.011 0.902 1.000 0.700 CB 1.898 D: 11 23.429 2.390 0.374 0.927 1.000 1.000 CB 1.580 11 residues pruned to eliminate duplicates E: 13 33.390 2.188 0.873 0.926 0.917 0.833 CA 1.800 12 residues pruned to eliminate duplicates F: 14 35.771 2.241 0.992 0.862 1.000 0.923 CB 1.632 13 residues pruned to eliminate duplicates G: 12 41.544 2.320 1.102 0.929 1.000 0.727 CA 1.797 12 residues pruned to eliminate duplicates H: 13 30.950 2.373 0.600 0.924 0.917 0.833 CB 1.802 I: 12 31.373 2.269 0.620 0.901 1.000 0.909 CB 1.836 12 residues pruned to eliminate duplicates J: 12 20.217 2.297 0.190 0.772 1.000 0.636 CA 1.753 12 residues pruned to eliminate duplicates K: 12 46.512 2.389 1.158 0.914 1.000 0.909 CB 1.923 12 residues pruned to eliminate duplicates L: 15 25.278 2.131 0.608 0.822 0.929 0.857 CB 1.606 M: 14 27.837 2.122 0.644 0.860 1.000 0.923 CA 1.628 N: 17 33.287 2.152 0.649 0.944 1.000 0.938 CB 1.625 13 residues pruned to eliminate duplicates O: 36 43.683 2.264 0.835 0.596 0.971 0.743 CB 1.669 15 residues pruned to eliminate duplicates P: 13 23.400 2.112 0.654 0.854 0.917 0.917 CB 1.557 13 residues pruned to eliminate duplicates Q: 17 19.604 2.060 0.626 0.509 0.938 0.688 CA 1.547 17 residues pruned to eliminate duplicates R: 15 30.064 2.131 1.149 0.823 0.929 0.857 CB 1.428 18 residues pruned to eliminate duplicates S: 16 29.783 2.251 0.559 0.873 0.933 0.800 CA 1.710 16 residues pruned to eliminate duplicates T: 13 37.365 2.328 0.935 0.859 1.000 0.917 CB 1.763 13 residues pruned to eliminate duplicates U: 12 26.933 2.243 0.695 0.822 1.000 0.909 CB 1.616 10 residues pruned to eliminate duplicates V: 13 34.166 2.264 0.980 0.862 1.000 0.833 CA 1.615 14 residues pruned to eliminate duplicates W: 14 28.792 2.217 0.762 0.847 0.923 0.846 CB 1.644 14 residues pruned to eliminate duplicates X: 15 29.442 2.081 0.681 0.844 1.000 0.643 CB 1.672 15 residues pruned to eliminate duplicates Y: 14 22.034 2.016 0.796 0.602 1.000 0.846 CB 1.531 Z: 60 37.256 2.158 0.727 0.470 0.898 0.661 CB 1.494 32 residues pruned to eliminate duplicates Z: 39 38.049 2.185 0.735 0.547 0.947 0.737 CB 1.641 39 residues pruned to eliminate duplicates Z: 37 42.554 2.259 0.966 0.550 0.944 0.750 CB 1.610 39 residues pruned to eliminate duplicates Z: 98 64.179 2.234 0.833 0.529 0.928 0.680 CB 1.666 77 residues pruned to eliminate duplicates Z: 14 22.202 2.147 0.579 0.872 1.000 0.923 CB 1.324 14 residues pruned to eliminate duplicates Z: 14 37.509 2.270 1.032 0.829 0.923 0.846 CB 1.838 14 residues pruned to eliminate duplicates Z: 95 55.244 2.201 0.774 0.553 0.904 0.670 CB 1.533 15 residues pruned to eliminate duplicates Z: 16 27.695 2.180 0.556 0.934 1.000 0.867 CB 1.471 16 residues pruned to eliminate duplicates Z: 19 26.255 2.193 0.717 0.524 0.944 0.722 CB 1.700 19 residues pruned to eliminate duplicates Z: 16 32.750 2.265 0.513 0.933 1.000 0.933 CB 1.722 17 residues pruned to eliminate duplicates Z: 14 25.990 2.285 0.383 0.941 1.000 1.000 CB 1.583 14 residues pruned to eliminate duplicates Z: 14 33.044 2.185 0.859 0.855 0.923 0.769 CB 1.804 14 residues pruned to eliminate duplicates Z: 13 34.969 2.269 0.804 0.933 1.000 0.917 CA 1.722 13 residues pruned to eliminate duplicates Z: 16 26.627 2.229 0.574 0.883 0.933 0.800 CA 1.518 16 residues pruned to eliminate duplicates Z: 15 29.849 2.118 0.878 0.848 0.929 0.786 CB 1.602 15 residues pruned to eliminate duplicates Z: 66 44.427 2.268 0.754 0.478 0.908 0.615 CB 1.560 29 residues pruned to eliminate duplicates Z: 16 30.511 2.290 0.583 0.906 0.933 0.733 CA 1.656 16 residues pruned to eliminate duplicates Z: 92 60.997 2.223 0.844 0.576 0.934 0.670 CB 1.552 93 residues pruned to eliminate duplicates Z: 14 20.573 1.813 0.741 0.865 1.000 0.923 CB 1.324 14 residues pruned to eliminate duplicates Z: 14 32.116 2.157 0.843 0.848 1.000 0.769 CB 1.662 14 residues pruned to eliminate duplicates Z: 57 48.969 2.280 0.868 0.501 0.929 0.696 CB 1.652 55 residues pruned to eliminate duplicates Z: 12 29.547 2.169 0.938 0.906 1.000 0.818 CA 1.508 12 residues pruned to eliminate duplicates Z: 14 17.297 2.092 0.788 0.562 0.923 0.692 CB 1.308 Z: 16 13.521 1.919 0.651 0.459 0.867 0.600 CB 1.325 15 residues pruned to eliminate duplicates Z: 15 36.062 2.347 0.742 0.938 1.000 1.000 CB 1.638 15 residues pruned to eliminate duplicates Z: 93 54.903 2.211 0.685 0.559 0.935 0.641 CB 1.552 93 residues pruned to eliminate duplicates Z: 16 33.779 2.265 0.534 0.927 1.000 0.933 CB 1.760 16 residues pruned to eliminate duplicates Z: 35 41.934 2.287 0.790 0.612 0.941 0.765 CB 1.678 35 residues pruned to eliminate duplicates Z: 16 26.995 2.249 0.541 0.900 0.933 0.867 CB 1.539 16 residues pruned to eliminate duplicates Z: 10 20.319 2.098 0.905 0.762 0.889 0.778 CB 1.510 10 residues pruned to eliminate duplicates Z: 94 55.130 2.195 0.730 0.548 0.925 0.634 CB 1.554 94 residues pruned to eliminate duplicates Z: 17 24.603 2.210 0.503 0.830 0.938 0.688 CA 1.485 17 residues pruned to eliminate duplicates Z: 65 44.593 2.282 0.700 0.504 0.891 0.594 CB 1.608 63 residues pruned to eliminate duplicates Z: 16 14.034 1.879 0.594 0.529 0.867 0.733 CB 1.356 16 residues pruned to eliminate duplicates Z: 13 23.833 2.175 0.735 0.873 0.917 0.917 CA 1.448 13 residues pruned to eliminate duplicates Z: 48 47.888 2.262 0.916 0.519 0.936 0.702 CB 1.690 48 residues pruned to eliminate duplicates Z: 15 16.764 1.943 0.710 0.565 0.929 0.714 CB 1.364 15 residues pruned to eliminate duplicates Z: 16 32.002 2.323 0.510 0.916 0.933 0.867 CB 1.782 16 residues pruned to eliminate duplicates Z: 15 37.574 2.309 0.839 0.954 1.000 0.429 CB 1.626 15 residues pruned to eliminate duplicates Z: 18 22.100 2.171 0.867 0.482 0.941 0.529 CB 1.430 Z: 18 21.570 2.217 0.840 0.501 0.941 0.647 CB 1.361 18 residues pruned to eliminate duplicates Z: 13 26.060 2.204 0.763 0.860 0.917 0.833 CA 1.553 13 residues pruned to eliminate duplicates Z: 19 26.402 2.155 0.830 0.529 0.944 0.722 CB 1.624 19 residues pruned to eliminate duplicates Z: 115 57.311 2.179 0.773 0.528 0.912 0.675 CB 1.482 110 residues pruned to eliminate duplicates Z: 34 29.730 2.073 0.737 0.577 0.939 0.636 CB 1.420 34 residues pruned to eliminate duplicates Z: 10 20.768 2.079 1.066 0.748 1.000 0.889 CB 1.291 Z: 36 39.326 2.258 0.801 0.565 0.943 0.743 CB 1.628 36 residues pruned to eliminate duplicates Z: 16 31.392 2.333 0.567 0.903 0.933 0.867 CA 1.694 16 residues pruned to eliminate duplicates Z: 16 33.491 2.278 0.676 0.931 1.000 0.933 CB 1.583 16 residues pruned to eliminate duplicates Z: 99 55.468 2.172 0.760 0.534 0.929 0.633 CB 1.527 67 residues pruned to eliminate duplicates Z: 9 24.826 2.186 1.074 0.840 1.000 0.875 CB 1.445 9 residues pruned to eliminate duplicates Z: 94 51.479 2.189 0.729 0.541 0.892 0.634 CB 1.519 94 residues pruned to eliminate duplicates Z: 53 37.783 2.163 0.839 0.507 0.885 0.654 CB 1.478 53 residues pruned to eliminate duplicates Z: 23 19.143 1.989 0.866 0.460 0.818 0.500 CB 1.401 15 residues pruned to eliminate duplicates Z: 92 59.456 2.212 0.841 0.556 0.934 0.659 CB 1.552 92 residues pruned to eliminate duplicates Z: 17 23.295 2.246 1.019 0.510 0.875 0.688 CB 1.453 Z: 49 34.632 2.051 0.711 0.502 0.979 0.646 CB 1.452 49 residues pruned to eliminate duplicates Z: 15 29.021 1.986 0.959 0.891 0.929 0.857 CA 1.544 15 residues pruned to eliminate duplicates Z: 22 26.889 2.117 0.665 0.728 1.000 0.381 CB 1.355 22 residues pruned to eliminate duplicates Z: 95 63.883 2.255 0.798 0.534 0.926 0.628 CB 1.699 95 residues pruned to eliminate duplicates Z: 16 29.141 2.189 0.602 0.898 1.000 0.800 CB 1.534 16 residues pruned to eliminate duplicates Z: 12 15.218 2.043 0.640 0.514 0.909 0.636 CB 1.485 12 residues pruned to eliminate duplicates Z: 97 66.752 2.259 0.796 0.551 0.948 0.740 CB 1.686 97 residues pruned to eliminate duplicates Z: 16 34.921 2.250 0.631 0.926 1.000 0.933 CB 1.722 16 residues pruned to eliminate duplicates Z: 52 39.995 2.157 0.853 0.532 0.941 0.608 CB 1.442 52 residues pruned to eliminate duplicates Z: 14 33.438 2.290 0.921 0.819 0.923 0.846 CB 1.731 14 residues pruned to eliminate duplicates Z: 117 59.744 2.187 0.832 0.520 0.905 0.621 CB 1.499 104 residues pruned to eliminate duplicates Z: 15 34.712 2.105 1.118 0.867 0.929 0.929 CB 1.640 15 residues pruned to eliminate duplicates Z: 9 12.131 1.858 1.072 0.468 0.875 0.750 CB 1.316 Z: 16 24.636 2.260 0.375 0.922 0.867 0.800 CA 1.660 16 residues pruned to eliminate duplicates Z: 13 12.223 2.039 0.601 0.461 0.833 0.417 CB 1.350 13 residues pruned to eliminate duplicates Z: 62 41.942 2.255 0.711 0.548 0.836 0.574 CB 1.590 62 residues pruned to eliminate duplicates Z: 41 29.464 2.032 0.848 0.520 0.850 0.625 CB 1.430 41 residues pruned to eliminate duplicates Z: 16 27.539 2.128 0.616 0.924 1.000 0.733 CB 1.452 16 residues pruned to eliminate duplicates Z: 12 38.007 2.295 1.050 0.908 1.000 0.909 CA 1.729 12 residues pruned to eliminate duplicates Z: 15 34.391 2.349 0.600 0.930 1.000 0.929 CA 1.709 15 residues pruned to eliminate duplicates Z: 13 22.889 2.186 0.476 0.873 1.000 0.750 CA 1.491 13 residues pruned to eliminate duplicates Z: 16 32.492 2.244 0.640 0.922 1.000 0.800 CA 1.602 16 residues pruned to eliminate duplicates Z: 65 40.431 2.222 0.672 0.514 0.859 0.625 CB 1.561 65 residues pruned to eliminate duplicates Z: 20 13.134 2.000 0.931 0.292 0.789 0.526 CB 1.248 17 residues pruned to eliminate duplicates Z: 47 34.460 2.221 0.658 0.492 0.891 0.674 CB 1.561 47 residues pruned to eliminate duplicates Z: 13 36.965 2.262 1.103 0.858 1.000 0.917 CA 1.652 13 residues pruned to eliminate duplicates Z: 95 69.409 2.281 0.833 0.535 0.968 0.660 CB 1.709 95 residues pruned to eliminate duplicates Z: 14 29.761 2.375 0.383 0.933 1.000 0.923 CA 1.753 14 residues pruned to eliminate duplicates Z: 45 41.926 2.175 0.938 0.551 0.909 0.705 CB 1.569 46 residues pruned to eliminate duplicates Z: 11 14.284 2.127 0.576 0.485 0.900 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 52 40.843 2.236 0.777 0.448 0.902 0.627 CA 1.683 52 residues pruned to eliminate duplicates Z: 24 21.140 2.116 0.688 0.456 0.957 0.609 CB 1.351 24 residues pruned to eliminate duplicates Z: 15 27.737 2.374 0.220 0.934 1.000 1.000 CB 1.784 15 residues pruned to eliminate duplicates Z: 16 18.066 1.902 0.645 0.532 1.000 0.733 CB 1.445 16 residues pruned to eliminate duplicates Z: 25 28.304 2.083 0.848 0.557 0.875 0.708 CB 1.623 40 residues pruned to eliminate duplicates Z: 14 16.783 2.088 0.522 0.602 0.923 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 15 31.663 2.348 0.460 0.917 1.000 0.857 CB 1.742 15 residues pruned to eliminate duplicates Z: 22 29.970 2.185 0.950 0.663 0.857 0.619 CB 1.540 22 residues pruned to eliminate duplicates Z: 6 7.501 1.628 0.412 0.619 1.000 0.800 C 1.305 6 residues pruned to eliminate duplicates Z: 16 28.978 2.212 0.551 0.926 1.000 0.800 CA 1.528 16 residues pruned to eliminate duplicates Z: 15 32.626 2.116 1.060 0.874 0.929 0.929 CB 1.568 15 residues pruned to eliminate duplicates Z: 9 17.114 1.972 0.880 0.666 1.000 0.875 CB 1.400 9 residues pruned to eliminate duplicates Z: 14 35.419 2.323 1.059 0.829 0.923 0.769 CB 1.674 14 residues pruned to eliminate duplicates Z: 17 23.108 2.139 0.571 0.878 0.938 0.750 CB 1.332 17 residues pruned to eliminate duplicates Z: 16 31.140 2.240 0.504 0.932 1.000 0.933 CB 1.667 16 residues pruned to eliminate duplicates Z: 14 17.442 2.096 0.415 0.575 1.000 0.769 CB 1.517 14 residues pruned to eliminate duplicates Z: 12 33.874 2.277 1.094 0.845 1.000 0.818 CB 1.594 12 residues pruned to eliminate duplicates Z: 15 34.952 2.083 0.946 0.828 1.000 0.643 CB 1.735 15 residues pruned to eliminate duplicates Z: 11 19.225 2.013 0.584 0.716 1.000 0.700 CA 1.567 11 residues pruned to eliminate duplicates Z: 12 33.430 2.223 1.116 0.794 0.909 0.636 CB 1.822 12 residues pruned to eliminate duplicates Z: 16 29.127 2.232 0.692 0.880 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 28 25.341 2.067 1.114 0.450 0.815 0.630 CB 1.442 31 residues pruned to eliminate duplicates Z: 19 18.464 2.188 0.699 0.474 0.833 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 58 50.571 2.263 0.965 0.515 0.877 0.702 CB 1.692 84 residues pruned to eliminate duplicates Z: 16 37.436 2.298 1.002 0.924 0.933 0.533 CB 1.581 16 residues pruned to eliminate duplicates Z: 48 38.230 2.085 0.837 0.521 0.957 0.617 CB 1.489 48 residues pruned to eliminate duplicates Z: 49 51.020 2.307 0.950 0.515 0.938 0.708 CB 1.721 49 residues pruned to eliminate duplicates Z: 13 41.563 2.333 1.097 0.866 1.000 0.667 CB 1.796 13 residues pruned to eliminate duplicates Z: 17 29.451 2.187 0.542 0.916 1.000 0.875 CB 1.542 17 residues pruned to eliminate duplicates Z: 60 50.183 2.281 0.806 0.565 0.915 0.627 CB 1.627 60 residues pruned to eliminate duplicates Z: 13 13.509 1.902 0.632 0.649 0.917 0.750 CB 1.193 12 residues pruned to eliminate duplicates Z: 15 31.585 2.353 0.440 0.938 1.000 1.000 CB 1.733 15 residues pruned to eliminate duplicates Z: 82 51.844 2.211 0.707 0.509 0.963 0.679 CB 1.571 82 residues pruned to eliminate duplicates Z: 15 31.286 2.111 0.840 0.841 1.000 0.500 CB 1.605 15 residues pruned to eliminate duplicates Z: 13 31.932 2.325 0.611 0.936 1.000 0.417 CB 1.714 13 residues pruned to eliminate duplicates Z: 94 50.802 2.184 0.696 0.543 0.903 0.667 CB 1.510 94 residues pruned to eliminate duplicates Z: 15 33.959 2.343 0.718 0.922 1.000 0.929 CB 1.586 15 residues pruned to eliminate duplicates Z: 93 55.944 2.212 0.671 0.560 0.946 0.674 CB 1.575 93 residues pruned to eliminate duplicates Z: 12 17.337 1.942 0.599 0.876 1.000 0.909 CB 1.223 12 residues pruned to eliminate duplicates Z: 17 34.164 2.172 0.790 0.900 1.000 0.812 CB 1.569 17 residues pruned to eliminate duplicates Z: 92 54.043 2.200 0.755 0.552 0.901 0.670 CB 1.548 92 residues pruned to eliminate duplicates Z: 11 24.377 2.239 0.911 0.662 1.000 0.800 CB 1.551 Z: 17 31.386 2.127 0.647 0.928 1.000 0.938 CB 1.569 17 residues pruned to eliminate duplicates Z: 17 30.731 2.195 0.710 0.908 0.938 0.812 CA 1.550 17 residues pruned to eliminate duplicates Z: 66 48.305 2.247 0.755 0.493 0.954 0.538 CB 1.605 66 residues pruned to eliminate duplicates Z: 17 30.125 2.110 0.637 0.895 1.000 0.875 CA 1.562 17 residues pruned to eliminate duplicates Z: 79 53.879 2.269 0.812 0.528 0.949 0.641 CB 1.522 85 residues pruned to eliminate duplicates Z: 32 22.130 2.044 0.878 0.430 0.839 0.516 CB 1.328 Z: 15 30.099 2.260 0.697 0.943 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 78 55.968 2.281 0.938 0.544 0.896 0.636 CB 1.542 78 residues pruned to eliminate duplicates Z: 8 5.998 1.627 0.270 0.498 1.000 0.714 CB 1.100 4 residues pruned to eliminate duplicates Z: 24 23.035 2.203 0.755 0.412 0.913 0.609 CB 1.492 24 residues pruned to eliminate duplicates Z: 17 30.774 2.169 0.743 0.899 0.938 0.750 CA 1.551 17 residues pruned to eliminate duplicates Z: 93 55.593 2.241 0.685 0.548 0.935 0.641 CB 1.567 93 residues pruned to eliminate duplicates Z: 47 54.284 2.334 0.947 0.547 0.957 0.717 CB 1.759 47 residues pruned to eliminate duplicates Z: 92 56.087 2.207 0.722 0.549 0.945 0.670 CB 1.562 92 residues pruned to eliminate duplicates Z: 95 56.625 2.215 0.734 0.540 0.947 0.660 CB 1.544 94 residues pruned to eliminate duplicates Z: 63 41.205 2.215 0.666 0.551 0.903 0.629 CB 1.495 63 residues pruned to eliminate duplicates Z: 15 18.941 1.953 0.646 0.553 1.000 0.786 CB 1.496 15 residues pruned to eliminate duplicates Z: 30 20.883 2.136 0.577 0.442 0.793 0.483 CB 1.541 30 residues pruned to eliminate duplicates Z: 10 10.448 2.035 1.111 0.323 0.778 0.556 CB 1.266 11 residues pruned to eliminate duplicates Z: 16 32.432 2.149 0.813 0.946 1.000 0.800 CB 1.487 16 residues pruned to eliminate duplicates Z: 68 38.160 2.049 0.805 0.487 0.910 0.642 CB 1.403 68 residues pruned to eliminate duplicates Z: 10 21.028 2.182 0.954 0.647 0.889 0.667 CA 1.611 10 residues pruned to eliminate duplicates Z: 80 48.248 2.178 0.749 0.529 0.911 0.696 CB 1.519 80 residues pruned to eliminate duplicates Z: 92 57.938 2.255 0.734 0.551 0.945 0.626 CB 1.564 92 residues pruned to eliminate duplicates Z: 101 48.667 2.161 0.794 0.482 0.890 0.620 CB 1.437 101 residues pruned to eliminate duplicates Z: 9 13.234 1.900 1.041 0.419 0.875 0.500 CB 1.501 9 residues pruned to eliminate duplicates Z: 9 12.361 1.942 1.051 0.455 0.875 0.625 CB 1.313 9 residues pruned to eliminate duplicates Z: 15 31.584 2.088 0.814 0.875 1.000 0.786 CB 1.621 15 residues pruned to eliminate duplicates Z: 15 25.159 2.107 0.636 0.813 0.929 0.857 CB 1.600 15 residues pruned to eliminate duplicates Z: 30 17.224 2.043 0.675 0.387 0.862 0.552 CB 1.223 30 residues pruned to eliminate duplicates Z: 21 22.326 2.051 0.588 0.551 0.950 0.700 CB 1.535 23 residues pruned to eliminate duplicates Z: 16 20.118 1.968 1.265 0.377 0.867 0.600 CB 1.533 16 residues pruned to eliminate duplicates Z: 13 20.072 1.868 0.871 0.839 1.000 0.833 CB 1.238 13 residues pruned to eliminate duplicates Z: 85 46.117 2.229 0.755 0.475 0.917 0.595 CB 1.439 85 residues pruned to eliminate duplicates Z: 14 26.906 2.106 0.679 0.845 1.000 0.846 CA 1.569 14 residues pruned to eliminate duplicates Z: 15 17.753 1.790 0.614 0.825 1.000 0.857 CA 1.239 15 residues pruned to eliminate duplicates Z: 83 51.862 2.256 0.833 0.543 0.866 0.659 CB 1.534 77 residues pruned to eliminate duplicates Z: 13 17.838 1.848 0.584 0.862 1.000 0.833 CB 1.293 13 residues pruned to eliminate duplicates Z: 15 16.426 1.844 0.520 0.847 1.000 0.643 CB 1.163 15 residues pruned to eliminate duplicates Z: 15 24.913 2.068 0.599 0.842 0.929 0.786 CB 1.616 15 residues pruned to eliminate duplicates Z: 52 40.042 2.221 0.806 0.476 0.941 0.725 CB 1.522 52 residues pruned to eliminate duplicates Z: 29 19.985 2.001 0.785 0.383 0.929 0.607 CB 1.290 29 residues pruned to eliminate duplicates Z: 95 66.148 2.267 0.856 0.517 0.936 0.585 CB 1.703 95 residues pruned to eliminate duplicates Z: 8 10.009 1.384 0.767 0.844 1.000 1.000 CB 1.150 8 residues pruned to eliminate duplicates Z: 13 23.601 2.207 0.490 0.868 0.917 0.917 CA 1.653 13 residues pruned to eliminate duplicates Z: 12 18.440 1.951 0.680 0.685 1.000 0.727 CB 1.431 12 residues pruned to eliminate duplicates Z: 14 33.137 2.133 1.206 0.873 0.923 0.846 CA 1.541 14 residues pruned to eliminate duplicates Z: 12 30.572 2.264 1.015 0.929 0.909 0.818 CA 1.556 12 residues pruned to eliminate duplicates Z: 83 47.842 2.113 0.724 0.523 0.939 0.646 CB 1.510 81 residues pruned to eliminate duplicates Z: 17 24.552 2.181 0.701 0.501 1.000 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 52 43.842 2.131 0.884 0.568 0.961 0.667 CB 1.490 52 residues pruned to eliminate duplicates Z: 58 47.167 2.334 0.704 0.524 0.947 0.649 CB 1.619 58 residues pruned to eliminate duplicates Z: 51 33.676 2.174 0.557 0.505 0.900 0.620 CB 1.556 51 residues pruned to eliminate duplicates Z: 51 44.561 2.220 0.804 0.572 0.960 0.700 CB 1.529 51 residues pruned to eliminate duplicates Z: 10 32.643 2.399 0.924 0.861 1.000 0.778 CB 1.731 10 residues pruned to eliminate duplicates Z: 13 14.278 1.832 0.444 0.834 0.917 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 24 21.795 1.933 0.689 0.525 0.870 0.609 CA 1.562 24 residues pruned to eliminate duplicates Z: 14 23.569 2.116 0.529 0.823 0.846 0.769 CB 1.806 14 residues pruned to eliminate duplicates Z: 17 32.965 2.209 0.672 0.927 0.938 0.812 CB 1.668 17 residues pruned to eliminate duplicates Z: 15 35.914 2.308 0.723 0.940 1.000 0.929 CB 1.676 15 residues pruned to eliminate duplicates Z: 44 45.459 2.227 0.895 0.561 0.930 0.767 CB 1.665 44 residues pruned to eliminate duplicates Z: 50 41.307 2.138 0.835 0.538 0.959 0.673 CB 1.510 50 residues pruned to eliminate duplicates Z: 31 24.933 2.092 0.866 0.461 0.933 0.733 CB 1.300 32 residues pruned to eliminate duplicates Z: 29 18.945 2.089 0.810 0.459 0.821 0.607 CB 1.202 23 residues pruned to eliminate duplicates Z: 16 27.894 2.186 0.499 0.933 1.000 0.800 CB 1.535 16 residues pruned to eliminate duplicates Z: 14 25.860 1.948 0.974 0.858 1.000 0.846 CB 1.373 14 residues pruned to eliminate duplicates Z: 9 12.568 1.829 0.517 0.568 1.000 0.750 CB 1.500 6 residues pruned to eliminate duplicates Z: 94 57.490 2.235 0.745 0.557 0.935 0.699 CB 1.546 94 residues pruned to eliminate duplicates Z: 16 12.930 1.827 0.761 0.498 0.800 0.600 C 1.299 16 residues pruned to eliminate duplicates Z: 6 3.446 2.062 0.040 0.356 0.600 0.400 CA 1.399 6 residues pruned to eliminate duplicates Z: 94 52.821 2.211 0.849 0.504 0.914 0.677 CB 1.461 96 residues pruned to eliminate duplicates Z: 30 23.467 2.111 0.846 0.469 0.931 0.724 CB 1.239 30 residues pruned to eliminate duplicates Z: 30 23.976 2.151 0.882 0.456 0.897 0.690 CB 1.283 30 residues pruned to eliminate duplicates Z: 15 26.243 2.252 0.831 0.519 1.000 0.786 CA 1.670 15 residues pruned to eliminate duplicates Z: 16 18.604 2.190 0.055 0.921 1.000 0.867 CB 1.463 16 residues pruned to eliminate duplicates Z: 10 22.501 2.171 1.072 0.587 1.000 0.889 CA 1.534 10 residues pruned to eliminate duplicates Z: 19 24.210 2.139 0.816 0.505 0.889 0.778 C 1.644 19 residues pruned to eliminate duplicates Z: 25 33.213 2.247 1.121 0.482 1.000 0.583 CB 1.448 30 residues pruned to eliminate duplicates Z: 43 32.382 2.161 0.783 0.492 0.905 0.643 CB 1.445 43 residues pruned to eliminate duplicates Z: 17 10.929 1.957 0.787 0.362 0.812 0.688 CB 1.115 17 residues pruned to eliminate duplicates Z: 16 35.399 2.276 0.828 0.916 0.933 0.933 CA 1.663 16 residues pruned to eliminate duplicates Z: 94 56.837 2.240 0.699 0.557 0.935 0.677 CB 1.567 94 residues pruned to eliminate duplicates Z: 30 29.082 2.219 0.691 0.596 0.897 0.690 CB 1.466 30 residues pruned to eliminate duplicates Z: 17 26.313 2.203 0.491 0.870 0.938 0.875 CB 1.559 17 residues pruned to eliminate duplicates Z: 70 47.469 2.235 0.784 0.504 0.957 0.609 CB 1.493 70 residues pruned to eliminate duplicates Z: 14 30.115 2.196 0.675 0.847 1.000 0.769 CB 1.685 14 residues pruned to eliminate duplicates Z: 95 55.558 2.234 0.712 0.549 0.904 0.660 CB 1.579 95 residues pruned to eliminate duplicates Z: 10 17.428 1.944 1.153 0.698 0.889 0.778 CB 1.304 10 residues pruned to eliminate duplicates Z: 9 4.570 1.965 0.373 0.336 0.750 0.500 CB 0.955 9 residues pruned to eliminate duplicates Z: 15 32.897 2.300 0.708 0.945 1.000 0.571 CB 1.549 15 residues pruned to eliminate duplicates Z: 14 11.895 1.859 0.909 0.579 0.769 0.769 CB 1.121 14 residues pruned to eliminate duplicates Z: 14 9.926 1.980 0.429 0.565 0.846 0.769 CB 1.080 14 residues pruned to eliminate duplicates Z: 61 47.825 2.267 0.762 0.526 0.883 0.583 CA 1.706 61 residues pruned to eliminate duplicates Z: 15 25.199 2.179 0.530 0.910 1.000 1.000 CB 1.433 15 residues pruned to eliminate duplicates Z: 20 34.092 2.184 0.720 0.739 1.000 0.789 CB 1.681 20 residues pruned to eliminate duplicates Z: 14 20.336 1.915 0.939 0.814 0.923 0.769 CB 1.253 14 residues pruned to eliminate duplicates Z: 12 14.132 1.977 0.732 0.526 0.818 0.818 CB 1.482 12 residues pruned to eliminate duplicates Z: 43 41.618 2.279 0.680 0.570 0.929 0.667 CA 1.688 43 residues pruned to eliminate duplicates Z: 88 48.358 2.215 0.829 0.476 0.897 0.621 CB 1.463 88 residues pruned to eliminate duplicates Z: 29 19.698 2.099 0.639 0.418 0.893 0.571 CB 1.320 29 residues pruned to eliminate duplicates Z: 24 22.737 2.192 0.662 0.517 0.870 0.522 CB 1.472 24 residues pruned to eliminate duplicates Z: 79 48.138 2.162 0.728 0.522 0.936 0.590 CB 1.525 79 residues pruned to eliminate duplicates Z: 93 58.619 2.215 0.740 0.565 0.946 0.674 CB 1.575 93 residues pruned to eliminate duplicates Z: 25 18.714 1.995 0.621 0.375 0.917 0.583 CB 1.472 23 residues pruned to eliminate duplicates Z: 9 7.308 1.730 0.790 0.685 1.000 0.750 CB 0.704 Z: 10 17.942 2.368 0.344 0.903 0.889 0.889 CB 1.507 10 residues pruned to eliminate duplicates Z: 15 20.662 1.775 0.953 0.841 1.000 0.643 CB 1.188 15 residues pruned to eliminate duplicates Z: 12 16.084 1.923 0.705 0.646 1.000 0.818 CB 1.292 12 residues pruned to eliminate duplicates Z: 12 8.078 1.752 0.708 0.391 0.727 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 20 27.897 2.051 0.854 0.540 1.000 0.789 CB 1.618 20 residues pruned to eliminate duplicates Z: 28 20.143 2.054 0.682 0.400 0.852 0.556 CB 1.463 28 residues pruned to eliminate duplicates Z: 29 23.194 2.083 0.919 0.435 0.929 0.536 CB 1.264 29 residues pruned to eliminate duplicates Z: 14 19.983 1.893 0.785 0.821 1.000 0.769 CB 1.242 14 residues pruned to eliminate duplicates Z: 59 44.212 2.234 0.724 0.518 0.931 0.621 CB 1.590 59 residues pruned to eliminate duplicates Z: 14 17.081 1.933 0.940 0.812 0.923 0.615 CB 1.043 14 residues pruned to eliminate duplicates Z: 16 33.510 2.281 0.734 0.914 0.933 0.800 CA 1.657 16 residues pruned to eliminate duplicates Z: 17 32.913 2.292 0.831 0.713 0.938 0.688 CB 1.724 17 residues pruned to eliminate duplicates Z: 93 52.291 2.191 0.748 0.508 0.902 0.609 CB 1.564 93 residues pruned to eliminate duplicates Z: 13 23.152 2.150 0.850 0.810 0.917 0.917 CA 1.400 13 residues pruned to eliminate duplicates Z: 9 9.051 1.881 0.564 0.514 0.875 0.625 CB 1.226 9 residues pruned to eliminate duplicates Z: 30 31.141 2.089 0.737 0.609 0.966 0.517 CB 1.489 30 residues pruned to eliminate duplicates Z: 6 8.338 1.618 0.560 0.651 1.000 0.600 CA 1.284 6 residues pruned to eliminate duplicates Z: 17 22.318 2.092 0.407 0.885 1.000 0.875 CB 1.368 17 residues pruned to eliminate duplicates Z: 14 23.766 2.002 0.492 0.932 1.000 0.846 CB 1.542 14 residues pruned to eliminate duplicates Z: 11 7.377 1.609 0.299 0.611 0.900 0.800 CB 1.117 11 residues pruned to eliminate duplicates Z: 12 25.407 2.191 0.825 0.652 1.000 0.818 CA 1.663 12 residues pruned to eliminate duplicates Z: 16 13.194 1.952 0.694 0.444 0.867 0.467 CB 1.258 16 residues pruned to eliminate duplicates Z: 47 37.425 2.221 0.742 0.539 0.891 0.609 CB 1.540 47 residues pruned to eliminate duplicates Z: 21 33.487 2.257 0.916 0.643 0.950 0.800 CB 1.594 21 residues pruned to eliminate duplicates Z: 47 40.532 2.203 0.836 0.531 0.935 0.674 CB 1.533 47 residues pruned to eliminate duplicates Z: 8 4.060 1.421 -0.023 0.647 1.000 0.571 CB 0.963 Z: 55 50.408 2.265 0.869 0.544 0.926 0.630 CB 1.676 96 residues pruned to eliminate duplicates Z: 8 8.592 1.940 0.272 0.408 0.857 0.429 CB 1.691 Z: 13 17.078 2.076 0.702 0.543 0.917 0.750 CA 1.460 13 residues pruned to eliminate duplicates Z: 53 48.813 2.308 0.870 0.518 0.923 0.750 CB 1.669 53 residues pruned to eliminate duplicates Z: 79 47.653 2.163 0.874 0.516 0.910 0.577 CB 1.439 79 residues pruned to eliminate duplicates Z: 12 13.871 1.792 0.375 0.915 1.000 1.000 CA 1.200 12 residues pruned to eliminate duplicates Z: 14 24.715 1.933 0.968 0.841 1.000 0.923 CB 1.344 14 residues pruned to eliminate duplicates Z: 44 33.832 2.132 0.691 0.576 0.907 0.628 CB 1.466 44 residues pruned to eliminate duplicates Z: 15 32.661 2.207 0.828 0.920 1.000 0.786 CB 1.525 15 residues pruned to eliminate duplicates Z: 8 5.181 1.532 0.577 0.439 0.857 0.571 C 1.008 Z: 12 34.837 2.299 1.069 0.843 1.000 0.909 CB 1.644 12 residues pruned to eliminate duplicates Z: 25 26.969 1.949 0.886 0.494 0.958 0.542 CA 1.573 25 residues pruned to eliminate duplicates Z: 17 11.811 2.084 0.531 0.248 0.875 0.438 CB 1.414 17 residues pruned to eliminate duplicates Z: 17 27.979 2.108 0.681 0.918 1.000 0.688 CB 1.392 17 residues pruned to eliminate duplicates Z: 13 5.016 1.794 0.346 0.289 0.667 0.250 CB 1.140 13 residues pruned to eliminate duplicates Z: 7 4.552 1.634 0.522 0.365 0.833 0.500 CB 1.036 7 residues pruned to eliminate duplicates Z: 13 9.064 1.906 0.299 0.461 0.917 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 13 19.071 1.949 0.625 0.896 1.000 0.917 CB 1.245 13 residues pruned to eliminate duplicates Z: 22 29.931 2.347 0.796 0.557 0.905 0.619 CB 1.621 22 residues pruned to eliminate duplicates Z: 11 10.821 1.958 0.447 0.545 1.000 0.700 CB 1.157 11 residues pruned to eliminate duplicates Z: 8 2.139 1.429 0.341 0.314 0.857 0.571 CB 0.605 8 residues pruned to eliminate duplicates Z: 18 34.612 2.175 0.944 0.748 0.941 0.824 CB 1.691 18 residues pruned to eliminate duplicates Z: 49 42.369 2.279 0.704 0.551 0.917 0.625 CB 1.635 49 residues pruned to eliminate duplicates Z: 12 10.762 1.736 0.498 0.893 1.000 0.727 CB 0.896 12 residues pruned to eliminate duplicates Z: 14 22.910 2.179 0.762 0.550 0.923 0.769 CA 1.707 14 residues pruned to eliminate duplicates Z: 6 6.658 1.854 0.689 0.763 1.000 0.800 CB 0.753 Z: 65 35.126 2.156 0.828 0.442 0.859 0.625 CB 1.376 65 residues pruned to eliminate duplicates Z: 16 23.211 2.164 1.101 0.550 0.933 0.733 CB 1.345 Z: 75 61.614 2.327 0.873 0.546 0.932 0.730 CB 1.685 75 residues pruned to eliminate duplicates Z: 14 16.559 2.037 0.528 0.624 1.000 0.769 CB 1.312 14 residues pruned to eliminate duplicates Z: 49 46.073 2.223 0.760 0.568 0.979 0.625 CA 1.625 49 residues pruned to eliminate duplicates Z: 75 48.348 2.170 0.909 0.533 0.919 0.608 CB 1.429 75 residues pruned to eliminate duplicates Z: 66 53.459 2.271 0.800 0.533 0.938 0.677 CB 1.673 74 residues pruned to eliminate duplicates Z: 15 24.056 2.113 0.852 0.835 0.857 0.429 CB 1.436 15 residues pruned to eliminate duplicates Z: 19 11.888 1.994 0.493 0.460 0.778 0.611 CB 1.261 19 residues pruned to eliminate duplicates Z: 16 33.405 2.220 0.707 0.938 1.000 0.867 CB 1.582 16 residues pruned to eliminate duplicates Z: 64 45.671 2.242 0.707 0.497 0.937 0.651 CB 1.610 64 residues pruned to eliminate duplicates Z: 15 22.061 1.871 0.889 0.841 0.929 0.786 CB 1.340 15 residues pruned to eliminate duplicates Z: 8 5.986 1.802 0.300 0.584 0.857 0.714 CB 1.039 8 residues pruned to eliminate duplicates Z: 10 15.209 1.822 0.605 0.803 1.000 0.778 CB 1.331 10 residues pruned to eliminate duplicates Z: 10 10.110 2.087 -0.105 0.902 1.000 0.889 CB 1.287 10 residues pruned to eliminate duplicates Z: 11 19.309 1.982 0.865 0.702 0.900 0.900 CB 1.527 13 residues pruned to eliminate duplicates Z: 27 25.106 2.088 0.976 0.443 0.923 0.654 CB 1.371 27 residues pruned to eliminate duplicates Z: 15 15.766 2.058 0.504 0.451 1.000 0.643 CB 1.430 15 residues pruned to eliminate duplicates Z: 13 28.086 2.143 0.847 0.879 1.000 0.917 CB 1.485 13 residues pruned to eliminate duplicates Z: 16 13.758 1.938 0.511 0.547 0.933 0.667 CB 1.241 16 residues pruned to eliminate duplicates Z: 18 29.938 2.080 0.584 0.908 1.000 0.824 CA 1.566 18 residues pruned to eliminate duplicates Z: 10 28.293 2.251 1.196 0.770 1.000 1.000 CB 1.503 Z: 49 37.471 2.049 0.966 0.539 0.896 0.667 CB 1.441 49 residues pruned to eliminate duplicates Z: 78 49.942 2.159 0.900 0.549 0.922 0.545 CB 1.435 78 residues pruned to eliminate duplicates Z: 41 32.922 2.154 0.965 0.497 0.900 0.700 CB 1.369 34 residues pruned to eliminate duplicates Z: 20 19.273 2.001 0.585 0.539 0.947 0.632 CB 1.417 20 residues pruned to eliminate duplicates Z: 21 14.344 2.020 0.451 0.388 0.900 0.750 CB 1.369 21 residues pruned to eliminate duplicates Z: 48 38.719 2.238 0.666 0.462 0.957 0.574 CB 1.645 48 residues pruned to eliminate duplicates Z: 83 52.088 2.213 0.770 0.553 0.915 0.573 CB 1.525 83 residues pruned to eliminate duplicates Z: 11 23.871 2.157 1.144 0.560 0.900 0.800 CA 1.711 11 residues pruned to eliminate duplicates Z: 12 14.765 1.885 0.519 0.620 1.000 1.000 CB 1.389 12 residues pruned to eliminate duplicates Z: 11 23.115 2.225 1.156 0.462 0.900 0.500 CA 1.759 11 residues pruned to eliminate duplicates Z: 20 19.299 2.170 0.624 0.534 0.895 0.632 CB 1.358 20 residues pruned to eliminate duplicates Z: 48 39.318 2.247 0.696 0.534 0.872 0.511 CB 1.669 48 residues pruned to eliminate duplicates Z: 65 48.282 2.255 0.791 0.523 0.922 0.578 CB 1.584 65 residues pruned to eliminate duplicates Z: 25 24.378 2.172 0.647 0.491 0.958 0.625 CA 1.465 25 residues pruned to eliminate duplicates Z: 17 10.699 1.726 0.590 0.492 0.875 0.625 CB 1.122 17 residues pruned to eliminate duplicates Z: 17 36.389 2.153 0.859 0.944 1.000 0.750 CA 1.575 17 residues pruned to eliminate duplicates Z: 20 15.281 2.031 0.752 0.402 0.895 0.421 CB 1.220 20 residues pruned to eliminate duplicates Z: 78 43.759 2.144 0.711 0.496 0.909 0.649 CB 1.500 78 residues pruned to eliminate duplicates Z: 27 8.302 1.790 0.427 0.199 0.808 0.423 CB 1.129 27 residues pruned to eliminate duplicates Z: 16 12.473 1.861 0.542 0.526 0.800 0.733 CB 1.366 16 residues pruned to eliminate duplicates Z: 18 26.677 2.224 0.594 0.676 0.941 0.765 CA 1.649 18 residues pruned to eliminate duplicates Z: 82 49.409 2.190 0.716 0.568 0.901 0.642 CB 1.519 82 residues pruned to eliminate duplicates Z: 14 24.950 1.901 1.042 0.875 1.000 0.846 CB 1.296 14 residues pruned to eliminate duplicates Z: 45 37.136 2.251 0.728 0.539 0.932 0.659 CB 1.487 45 residues pruned to eliminate duplicates Z: 16 27.744 2.170 0.565 0.921 1.000 0.867 CB 1.485 16 residues pruned to eliminate duplicates Z: 47 44.465 2.284 0.785 0.507 0.935 0.696 CB 1.708 47 residues pruned to eliminate duplicates Z: 42 33.535 2.158 0.949 0.534 0.878 0.659 CB 1.371 42 residues pruned to eliminate duplicates Z: 16 19.974 1.956 0.941 0.459 1.000 0.733 C 1.417 16 residues pruned to eliminate duplicates Z: 50 41.773 2.126 1.005 0.534 0.898 0.755 CB 1.507 50 residues pruned to eliminate duplicates Z: 9 9.334 1.657 0.955 0.738 1.000 0.875 CB 0.823 9 residues pruned to eliminate duplicates Z: 9 11.779 2.195 0.456 0.616 0.875 0.875 CA 1.334 8 residues pruned to eliminate duplicates Z: 92 50.535 2.197 0.690 0.506 0.934 0.593 CB 1.518 92 residues pruned to eliminate duplicates Z: 65 47.535 2.268 0.854 0.510 0.906 0.656 CB 1.543 65 residues pruned to eliminate duplicates Z: 34 29.429 2.104 0.612 0.503 0.939 0.697 CA 1.602 34 residues pruned to eliminate duplicates Z: 63 42.262 2.191 0.633 0.531 0.935 0.629 CB 1.556 63 residues pruned to eliminate duplicates Z: 84 58.264 2.258 0.766 0.541 0.904 0.627 CB 1.706 84 residues pruned to eliminate duplicates Z: 9 9.071 1.771 0.284 0.789 1.000 1.000 CB 1.094 9 residues pruned to eliminate duplicates Z: 6 5.042 1.606 0.158 0.571 1.000 0.800 CB 1.132 6 residues pruned to eliminate duplicates Z: 12 17.534 1.800 0.604 0.912 1.000 0.909 CB 1.297 12 residues pruned to eliminate duplicates Z: 20 19.832 2.012 1.068 0.486 0.895 0.737 CB 1.239 20 residues pruned to eliminate duplicates Z: 62 45.129 2.238 0.632 0.554 0.918 0.574 CB 1.635 62 residues pruned to eliminate duplicates Z: 82 53.682 2.248 0.670 0.565 0.951 0.617 CB 1.570 82 residues pruned to eliminate duplicates Z: 10 14.380 1.990 0.980 0.627 1.000 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 9 4.943 1.700 0.159 0.425 0.625 0.625 C 1.534 9 residues pruned to eliminate duplicates Z: 24 33.222 2.143 0.858 0.648 0.957 0.739 CB 1.584 24 residues pruned to eliminate duplicates Z: 14 23.623 2.201 0.795 0.473 0.923 0.846 CA 1.846 14 residues pruned to eliminate duplicates Z: 7 5.260 1.463 0.554 0.603 0.833 0.667 CB 1.027 7 residues pruned to eliminate duplicates Z: 13 37.131 2.264 1.219 0.817 1.000 0.833 CA 1.620 14 residues pruned to eliminate duplicates Z: 12 13.744 1.857 0.613 0.650 0.909 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 16 14.741 1.952 1.079 0.456 0.800 0.667 CB 1.226 16 residues pruned to eliminate duplicates Z: 11 23.322 2.297 0.395 0.909 1.000 0.900 CB 1.634 11 residues pruned to eliminate duplicates Z: 22 23.481 2.233 0.646 0.482 0.952 0.476 CB 1.490 22 residues pruned to eliminate duplicates Z: 39 41.657 2.241 0.765 0.635 0.947 0.605 CB 1.588 39 residues pruned to eliminate duplicates Z: 39 30.997 2.190 0.859 0.484 0.868 0.632 CB 1.446 39 residues pruned to eliminate duplicates Z: 6 2.907 1.607 -0.099 0.299 1.000 0.600 CA 1.124 6 residues pruned to eliminate duplicates Z: 14 21.896 1.860 0.966 0.874 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 13 20.056 1.952 0.852 0.880 0.917 0.583 CB 1.266 13 residues pruned to eliminate duplicates Z: 15 22.011 1.769 0.962 0.881 1.000 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 13 5.030 1.719 0.251 0.340 0.833 0.500 CB 0.965 13 residues pruned to eliminate duplicates Z: 14 16.175 2.081 0.581 0.575 0.923 0.769 CB 1.374 14 residues pruned to eliminate duplicates Z: 21 20.979 2.172 0.598 0.480 0.900 0.550 CB 1.533 21 residues pruned to eliminate duplicates Z: 50 41.952 2.318 0.587 0.561 0.939 0.571 CB 1.636 50 residues pruned to eliminate duplicates Z: 12 20.933 2.080 0.987 0.607 0.909 0.909 CB 1.517 12 residues pruned to eliminate duplicates Z: 7 6.857 1.356 0.966 0.658 0.833 0.667 CA 1.088 7 residues pruned to eliminate duplicates Z: 16 15.364 1.919 0.587 0.508 0.867 0.867 CB 1.491 16 residues pruned to eliminate duplicates Z: 47 46.927 2.261 0.849 0.530 0.957 0.717 CB 1.678 47 residues pruned to eliminate duplicates Z: 49 33.810 2.194 0.572 0.527 0.875 0.521 CB 1.573 49 residues pruned to eliminate duplicates Z: 15 14.428 2.022 0.617 0.436 1.000 0.571 CB 1.261 15 residues pruned to eliminate duplicates 6 1.766 1.549 -0.176 0.462 0.600 0.600 N 1.072 ? Z: 42 30.063 2.069 0.791 0.514 0.976 0.707 CB 1.281 42 residues pruned to eliminate duplicates Z: 8 2.782 1.312 0.401 0.576 0.857 0.571 CB 0.620 Z: 12 28.681 2.327 0.828 0.845 0.909 0.545 CB 1.663 12 residues pruned to eliminate duplicates Z: 85 63.228 2.275 0.796 0.540 0.929 0.702 CB 1.749 85 residues pruned to eliminate duplicates Z: 15 34.213 2.234 0.777 0.902 1.000 0.714 CB 1.642 15 residues pruned to eliminate duplicates Z: 14 21.715 1.837 0.924 0.856 1.000 0.846 CB 1.256 14 residues pruned to eliminate duplicates Z: 33 35.150 2.032 0.982 0.622 0.969 0.656 CB 1.419 33 residues pruned to eliminate duplicates Z: 7 3.109 1.496 -0.175 0.684 0.833 0.667 O 1.043 Z: 31 28.910 2.202 0.874 0.400 0.900 0.600 CB 1.580 31 residues pruned to eliminate duplicates Z: 14 10.156 1.774 0.626 0.449 1.000 0.769 CB 1.029 14 residues pruned to eliminate duplicates Z: 11 6.805 1.564 0.786 0.486 0.800 0.600 N 0.977 Z: 17 13.688 2.112 0.713 0.423 0.938 0.500 CB 1.092 17 residues pruned to eliminate duplicates Z: 52 45.790 2.265 0.838 0.460 0.961 0.686 CB 1.669 52 residues pruned to eliminate duplicates Z: 51 42.992 2.268 0.780 0.473 0.960 0.660 CB 1.612 51 residues pruned to eliminate duplicates Z: 66 43.026 2.116 0.853 0.529 0.908 0.708 CB 1.457 66 residues pruned to eliminate duplicates Z: 46 33.585 2.151 0.547 0.564 0.889 0.644 CB 1.590 46 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 45.564 2.309 0.876 0.597 0.971 0.706 CB 1.694 35 residues pruned to eliminate duplicates Z: 94 71.673 2.308 0.842 0.557 0.968 0.656 CB 1.709 95 residues pruned to eliminate duplicates Z: 6 2.117 1.682 0.254 0.353 0.600 0.600 CA 0.878 6 residues pruned to eliminate duplicates Z: 95 70.803 2.290 0.837 0.533 0.968 0.681 CB 1.736 95 residues pruned to eliminate duplicates Z: 81 58.643 2.312 0.790 0.518 0.913 0.688 CB 1.707 81 residues pruned to eliminate duplicates Z: 6 4.310 1.862 0.562 0.207 0.800 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 95 63.475 2.288 0.775 0.539 0.936 0.681 CB 1.657 95 residues pruned to eliminate duplicates Z: 6 9.306 2.144 0.586 0.424 1.000 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 51 47.861 2.275 0.909 0.505 0.920 0.660 CB 1.685 52 residues pruned to eliminate duplicates Z: 17 27.433 2.093 0.555 0.751 1.000 0.875 CB 1.685 17 residues pruned to eliminate duplicates Z: 47 53.598 2.329 0.966 0.532 0.957 0.696 CB 1.748 47 residues pruned to eliminate duplicates Z: 47 50.582 2.319 0.974 0.512 0.935 0.696 CB 1.722 47 residues pruned to eliminate duplicates Z: 38 40.731 2.236 0.958 0.517 0.946 0.730 CB 1.589 38 residues pruned to eliminate duplicates Z: 94 67.213 2.309 0.828 0.532 0.914 0.667 CB 1.750 94 residues pruned to eliminate duplicates Z: 36 39.781 2.274 0.911 0.532 0.914 0.743 CB 1.641 36 residues pruned to eliminate duplicates Z: 81 63.811 2.293 0.845 0.550 0.950 0.675 CB 1.691 80 residues pruned to eliminate duplicates Z: 13 28.482 2.169 0.981 0.790 0.917 0.750 CB 1.618 13 residues pruned to eliminate duplicates Z: 40 38.524 2.176 0.914 0.500 0.949 0.692 CB 1.561 40 residues pruned to eliminate duplicates Z: 81 57.400 2.308 0.807 0.511 0.913 0.663 CB 1.668 81 residues pruned to eliminate duplicates Z: 96 63.799 2.266 0.807 0.528 0.916 0.663 CB 1.699 96 residues pruned to eliminate duplicates Z: 48 45.975 2.252 0.952 0.519 0.915 0.723 CB 1.636 48 residues pruned to eliminate duplicates Z: 82 60.379 2.301 0.818 0.496 0.951 0.704 CB 1.694 82 residues pruned to eliminate duplicates Z: 95 63.308 2.291 0.785 0.525 0.926 0.660 CB 1.684 95 residues pruned to eliminate duplicates Z: 35 36.088 2.264 0.847 0.551 0.882 0.735 CB 1.596 35 residues pruned to eliminate duplicates Z: 67 42.100 2.239 0.738 0.456 0.848 0.515 CB 1.643 67 residues pruned to eliminate duplicates Z: 13 13.690 2.089 0.826 0.342 0.833 0.667 CB 1.477 13 residues pruned to eliminate duplicates Z: 52 37.069 2.224 0.660 0.440 0.902 0.490 CB 1.658 52 residues pruned to eliminate duplicates Z: 64 50.855 2.284 0.812 0.496 0.905 0.587 CB 1.718 64 residues pruned to eliminate duplicates Z: 61 48.078 2.253 0.775 0.518 0.883 0.617 CA 1.726 61 residues pruned to eliminate duplicates Z: 66 51.998 2.260 0.760 0.496 0.954 0.662 CB 1.707 66 residues pruned to eliminate duplicates Z: 60 54.745 2.294 0.806 0.534 0.966 0.593 CA 1.723 60 residues pruned to eliminate duplicates Z: 98 64.236 2.266 0.832 0.510 0.928 0.649 CB 1.677 98 residues pruned to eliminate duplicates Z: 33 26.927 2.092 0.869 0.467 0.844 0.531 CB 1.492 74 residues pruned to eliminate duplicates Z: 96 69.240 2.272 0.890 0.523 0.937 0.653 CB 1.725 96 residues pruned to eliminate duplicates Z: 13 26.133 2.346 1.021 0.513 0.917 0.667 CA 1.714 13 residues pruned to eliminate duplicates Z: 52 36.254 2.262 0.638 0.441 0.882 0.588 CB 1.650 52 residues pruned to eliminate duplicates Z: 59 45.426 2.227 0.758 0.480 0.948 0.534 CB 1.640 59 residues pruned to eliminate duplicates Z: 62 41.277 2.211 0.733 0.476 0.852 0.557 CB 1.658 62 residues pruned to eliminate duplicates Z: 94 65.872 2.270 0.901 0.509 0.925 0.624 CB 1.697 94 residues pruned to eliminate duplicates Z: 6 3.674 1.468 0.538 0.272 0.800 0.200 N 1.177 6 residues pruned to eliminate duplicates Z: 82 62.653 2.300 0.843 0.526 0.951 0.679 CB 1.683 82 residues pruned to eliminate duplicates Z: 94 70.954 2.303 0.871 0.557 0.946 0.710 CB 1.708 94 residues pruned to eliminate duplicates Z: 95 64.521 2.290 0.819 0.534 0.926 0.649 CB 1.669 95 residues pruned to eliminate duplicates Z: 67 47.226 2.277 0.736 0.507 0.894 0.606 CB 1.633 67 residues pruned to eliminate duplicates Z: 92 57.860 2.272 0.794 0.483 0.912 0.692 CB 1.660 92 residues pruned to eliminate duplicates Z: 93 59.296 2.269 0.819 0.510 0.913 0.641 CB 1.625 93 residues pruned to eliminate duplicates Z: 57 45.691 2.246 0.781 0.503 0.929 0.571 CB 1.640 57 residues pruned to eliminate duplicates Z: 49 44.190 2.269 0.730 0.563 0.917 0.625 CB 1.668 49 residues pruned to eliminate duplicates Z: 93 64.674 2.294 0.809 0.526 0.935 0.609 CB 1.694 93 residues pruned to eliminate duplicates Z: 65 49.917 2.224 0.827 0.501 0.922 0.609 CA 1.663 65 residues pruned to eliminate duplicates Z: 29 28.981 2.204 0.571 0.546 0.893 0.679 CB 1.692 29 residues pruned to eliminate duplicates Z: 108 70.117 2.253 0.899 0.526 0.935 0.645 CB 1.652 95 residues pruned to eliminate duplicates Z: 16 36.645 2.301 0.679 0.937 1.000 0.933 CA 1.704 16 residues pruned to eliminate duplicates Z: 46 33.825 2.224 0.649 0.441 0.911 0.600 CB 1.604 46 residues pruned to eliminate duplicates Z: 65 47.674 2.282 0.777 0.483 0.906 0.641 CB 1.650 65 residues pruned to eliminate duplicates Z: 61 49.848 2.254 0.835 0.538 0.900 0.600 CB 1.665 61 residues pruned to eliminate duplicates Z: 95 65.001 2.300 0.827 0.536 0.915 0.681 CB 1.684 95 residues pruned to eliminate duplicates Z: 95 69.432 2.300 0.880 0.545 0.936 0.649 CB 1.693 92 residues pruned to eliminate duplicates Z: 15 37.027 2.378 0.798 0.925 0.929 0.857 CA 1.750 15 residues pruned to eliminate duplicates Z: 88 52.321 2.199 0.819 0.526 0.897 0.575 CB 1.525 76 residues pruned to eliminate duplicates Z: 19 37.439 2.280 0.860 0.774 0.944 0.778 CB 1.729 19 residues pruned to eliminate duplicates Z: 94 74.708 2.324 0.973 0.555 0.935 0.677 CB 1.712 94 residues pruned to eliminate duplicates Z: 51 36.586 2.158 0.730 0.485 0.880 0.600 CB 1.599 51 residues pruned to eliminate duplicates Z: 47 48.605 2.294 0.816 0.572 0.935 0.609 CB 1.717 47 residues pruned to eliminate duplicates Z: 82 56.102 2.244 0.831 0.523 0.901 0.667 CB 1.646 82 residues pruned to eliminate duplicates Z: 48 41.672 2.261 0.715 0.490 0.936 0.617 CB 1.692 48 residues pruned to eliminate duplicates Z: 59 49.469 2.203 0.947 0.506 0.897 0.621 CB 1.679 59 residues pruned to eliminate duplicates Z: 95 67.785 2.262 0.896 0.556 0.947 0.670 CB 1.630 95 residues pruned to eliminate duplicates Z: 65 53.498 2.270 0.782 0.530 0.938 0.656 CB 1.712 65 residues pruned to eliminate duplicates Z: 52 44.186 2.205 0.771 0.545 0.941 0.667 CB 1.611 52 residues pruned to eliminate duplicates Z: 95 69.136 2.256 0.905 0.539 0.947 0.670 CB 1.686 95 residues pruned to eliminate duplicates Z: 48 42.800 2.267 0.722 0.550 0.894 0.596 CB 1.704 48 residues pruned to eliminate duplicates Z: 42 48.602 2.289 0.781 0.624 0.976 0.634 CA 1.698 42 residues pruned to eliminate duplicates Z: 69 53.710 2.281 0.818 0.559 0.912 0.691 CB 1.627 69 residues pruned to eliminate duplicates Z: 46 47.273 2.273 0.745 0.559 1.000 0.689 CB 1.678 46 residues pruned to eliminate duplicates Z: 93 70.910 2.300 0.898 0.560 0.935 0.663 CB 1.709 93 residues pruned to eliminate duplicates Z: 50 45.377 2.276 0.793 0.556 0.898 0.653 CB 1.676 50 residues pruned to eliminate duplicates Z: 60 49.402 2.266 0.693 0.556 0.932 0.695 CA 1.702 60 residues pruned to eliminate duplicates Z: 92 70.520 2.338 0.828 0.555 0.945 0.692 CB 1.735 92 residues pruned to eliminate duplicates Z: 92 60.809 2.205 0.831 0.529 0.945 0.703 CB 1.623 93 residues pruned to eliminate duplicates Z: 11 13.929 1.993 0.775 0.693 0.800 0.600 CA 1.305 11 residues pruned to eliminate duplicates Z: 203 81.496 2.220 0.778 0.511 0.921 0.639 CB 1.560 210 residues pruned to eliminate duplicates Z: 6 8.199 1.913 0.542 0.383 1.000 0.600 CA 1.408 6 residues pruned to eliminate duplicates Z: 18 24.014 2.183 0.954 0.509 0.941 0.647 CB 1.437 18 residues pruned to eliminate duplicates Z: 18 19.932 2.220 0.945 0.506 0.824 0.706 CB 1.351 18 residues pruned to eliminate duplicates Z: 18 21.361 2.211 1.031 0.504 0.882 0.647 CB 1.303 18 residues pruned to eliminate duplicates Z: 80 53.749 2.267 0.847 0.528 0.924 0.608 CB 1.521 80 residues pruned to eliminate duplicates Z: 18 22.300 2.265 0.949 0.475 0.941 0.588 CB 1.336 18 residues pruned to eliminate duplicates Z: 74 53.866 2.252 0.880 0.526 0.945 0.562 CB 1.536 74 residues pruned to eliminate duplicates Z: 18 21.362 2.231 0.929 0.502 0.882 0.647 CB 1.362 18 residues pruned to eliminate duplicates Z: 19 21.425 2.166 0.909 0.452 0.944 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 66 46.599 2.206 0.810 0.517 0.923 0.646 CB 1.542 66 residues pruned to eliminate duplicates Z: 19 20.856 2.182 0.932 0.524 0.889 0.722 CB 1.281 19 residues pruned to eliminate duplicates Z: 76 60.750 2.284 0.953 0.552 0.947 0.627 CB 1.579 76 residues pruned to eliminate duplicates Z: 30 18.192 2.169 0.738 0.380 0.793 0.517 CB 1.283 30 residues pruned to eliminate duplicates Z: 120 56.396 2.177 0.781 0.516 0.891 0.655 CB 1.474 120 residues pruned to eliminate duplicates Z: 14 8.759 1.992 0.410 0.335 0.846 0.615 CB 1.225 14 residues pruned to eliminate duplicates Z: 30 20.718 2.119 0.878 0.428 0.828 0.655 CB 1.258 30 residues pruned to eliminate duplicates Z: 29 24.395 2.137 0.751 0.495 0.964 0.679 CB 1.285 29 residues pruned to eliminate duplicates Z: 19 13.101 2.124 0.542 0.395 0.833 0.556 CB 1.263 19 residues pruned to eliminate duplicates Z: 29 27.450 2.185 0.893 0.469 0.929 0.714 CB 1.394 29 residues pruned to eliminate duplicates Z: 30 23.504 2.132 0.769 0.452 0.931 0.690 CB 1.306 30 residues pruned to eliminate duplicates Z: 29 26.503 2.189 0.875 0.474 0.964 0.750 CB 1.299 29 residues pruned to eliminate duplicates Z: 29 25.226 2.207 0.832 0.457 0.929 0.607 CB 1.326 29 residues pruned to eliminate duplicates Z: 71 49.465 2.181 0.840 0.525 0.986 0.586 CB 1.458 71 residues pruned to eliminate duplicates Z: 7 18.202 2.243 1.212 0.592 1.000 0.667 CB 1.372 7 residues pruned to eliminate duplicates Z: 66 41.792 2.218 0.653 0.506 0.923 0.569 CB 1.522 66 residues pruned to eliminate duplicates Z: 12 11.590 1.996 0.806 0.390 0.818 0.455 CB 1.330 12 residues pruned to eliminate duplicates Z: 7 4.097 1.644 0.551 0.337 0.667 0.500 CA 1.175 7 residues pruned to eliminate duplicates Z: 9 5.345 1.601 0.726 0.307 0.750 0.625 CA 1.130 9 residues pruned to eliminate duplicates Z: 10 6.811 1.581 0.542 0.449 0.778 0.556 CB 1.261 10 residues pruned to eliminate duplicates Z: 36 25.157 2.099 0.841 0.458 0.857 0.686 CB 1.340 36 residues pruned to eliminate duplicates Z: 8 4.661 1.652 0.342 0.543 0.857 0.571 CB 0.889 8 residues pruned to eliminate duplicates Z: 11 19.614 1.952 0.921 0.744 1.000 0.900 CB 1.330 11 residues pruned to eliminate duplicates Z: 10 16.122 1.980 1.093 0.732 0.889 0.889 CB 1.184 10 residues pruned to eliminate duplicates Z: 19 20.882 2.077 0.731 0.591 0.889 0.778 CB 1.412 19 residues pruned to eliminate duplicates Z: 15 15.259 1.904 0.798 0.620 1.000 0.786 CB 1.064 15 residues pruned to eliminate duplicates Z: 24 21.345 1.927 0.934 0.548 0.870 0.783 CB 1.310 24 residues pruned to eliminate duplicates Z: 10 19.198 2.008 1.039 0.838 0.889 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 15 11.569 1.851 0.672 0.537 0.857 0.714 CB 1.123 15 residues pruned to eliminate duplicates Z: 94 58.523 2.253 0.726 0.547 0.957 0.699 CB 1.558 94 residues pruned to eliminate duplicates Z: 37 29.603 2.067 0.676 0.543 0.944 0.639 CB 1.445 37 residues pruned to eliminate duplicates Z: 52 37.419 2.140 0.778 0.520 0.922 0.627 CB 1.465 52 residues pruned to eliminate duplicates Z: 94 58.366 2.249 0.733 0.552 0.935 0.699 CB 1.577 94 residues pruned to eliminate duplicates Z: 94 58.071 2.251 0.705 0.544 0.957 0.688 CB 1.569 94 residues pruned to eliminate duplicates Z: 93 60.355 2.269 0.760 0.552 0.967 0.641 CB 1.548 92 residues pruned to eliminate duplicates Z: 6 3.302 1.573 0.301 0.280 0.800 0.400 N 1.157 6 residues pruned to eliminate duplicates Z: 93 59.916 2.262 0.765 0.552 0.946 0.598 CB 1.572 94 residues pruned to eliminate duplicates Z: 6 4.798 1.685 0.517 0.331 1.000 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 34 30.381 2.073 0.728 0.599 0.939 0.727 CB 1.430 34 residues pruned to eliminate duplicates Z: 55 38.767 2.133 0.787 0.520 0.926 0.648 CB 1.466 55 residues pruned to eliminate duplicates Z: 94 58.773 2.233 0.745 0.532 0.968 0.656 CB 1.567 94 residues pruned to eliminate duplicates Z: 36 29.289 2.042 0.767 0.551 0.943 0.629 CB 1.385 36 residues pruned to eliminate duplicates Z: 113 57.226 2.186 0.758 0.528 0.920 0.616 CB 1.489 113 residues pruned to eliminate duplicates Z: 47 38.087 2.142 0.766 0.533 0.935 0.696 CB 1.537 47 residues pruned to eliminate duplicates Z: 49 27.489 2.063 0.866 0.468 0.812 0.583 CB 1.310 49 residues pruned to eliminate duplicates Z: 35 28.903 2.109 0.770 0.541 0.912 0.676 CB 1.399 35 residues pruned to eliminate duplicates Z: 53 28.814 2.059 0.836 0.457 0.865 0.558 CB 1.277 53 residues pruned to eliminate duplicates Z: 94 57.562 2.237 0.746 0.556 0.946 0.731 CB 1.529 94 residues pruned to eliminate duplicates Z: 93 59.117 2.261 0.750 0.545 0.946 0.620 CB 1.575 93 residues pruned to eliminate duplicates Z: 55 29.959 2.020 0.787 0.462 0.889 0.667 CB 1.321 55 residues pruned to eliminate duplicates Z: 93 50.762 2.213 0.661 0.522 0.924 0.620 CB 1.525 93 residues pruned to eliminate duplicates Z: 93 58.920 2.253 0.741 0.549 0.957 0.685 CB 1.561 93 residues pruned to eliminate duplicates Z: 94 57.499 2.252 0.757 0.547 0.935 0.677 CB 1.539 94 residues pruned to eliminate duplicates Z: 51 39.755 2.149 0.879 0.520 0.940 0.720 CB 1.452 51 residues pruned to eliminate duplicates Z: 51 40.183 2.156 0.852 0.517 0.920 0.620 CB 1.521 51 residues pruned to eliminate duplicates Z: 95 56.366 2.232 0.779 0.533 0.926 0.691 CB 1.531 93 residues pruned to eliminate duplicates Z: 18 19.228 1.853 0.793 0.682 0.941 0.706 CB 1.262 18 residues pruned to eliminate duplicates Z: 97 56.498 2.206 0.714 0.516 0.958 0.604 CB 1.566 97 residues pruned to eliminate duplicates Z: 6 2.547 1.309 0.538 0.261 0.800 0.200 C 0.929 6 residues pruned to eliminate duplicates Z: 95 54.044 2.220 0.757 0.527 0.904 0.660 CB 1.539 95 residues pruned to eliminate duplicates Z: 51 39.326 2.109 0.919 0.479 0.940 0.640 CB 1.494 51 residues pruned to eliminate duplicates Z: 7 6.200 1.605 0.460 0.451 1.000 0.667 CA 1.136 7 residues pruned to eliminate duplicates Z: 64 46.572 2.294 0.747 0.511 0.905 0.587 CB 1.600 64 residues pruned to eliminate duplicates Z: 64 46.210 2.287 0.774 0.481 0.937 0.619 CB 1.562 64 residues pruned to eliminate duplicates Z: 93 55.921 2.259 0.695 0.530 0.946 0.696 CB 1.563 93 residues pruned to eliminate duplicates Z: 93 55.507 2.262 0.730 0.541 0.913 0.663 CB 1.556 93 residues pruned to eliminate duplicates Z: 58 40.042 2.284 0.545 0.501 0.947 0.702 CB 1.585 58 residues pruned to eliminate duplicates Z: 50 40.226 2.169 0.921 0.544 0.898 0.735 CB 1.470 50 residues pruned to eliminate duplicates Z: 61 46.521 2.306 0.669 0.529 0.950 0.683 CB 1.596 61 residues pruned to eliminate duplicates Z: 58 40.833 2.287 0.607 0.492 0.930 0.684 CB 1.595 58 residues pruned to eliminate duplicates Z: 95 58.355 2.221 0.787 0.520 0.968 0.649 CB 1.535 95 residues pruned to eliminate duplicates Z: 54 42.185 2.169 0.945 0.510 0.925 0.660 CB 1.472 55 residues pruned to eliminate duplicates Z: 7 3.130 1.807 0.252 0.344 0.833 0.667 CB 0.803 7 residues pruned to eliminate duplicates Z: 64 47.815 2.279 0.675 0.511 0.984 0.587 CB 1.586 64 residues pruned to eliminate duplicates Z: 95 55.206 2.239 0.696 0.535 0.926 0.670 CB 1.565 95 residues pruned to eliminate duplicates Z: 94 59.128 2.252 0.777 0.548 0.957 0.645 CB 1.528 94 residues pruned to eliminate duplicates Z: 92 53.623 2.220 0.753 0.503 0.934 0.637 CB 1.542 92 residues pruned to eliminate duplicates Z: 43 36.895 2.301 0.501 0.579 0.952 0.667 CB 1.604 43 residues pruned to eliminate duplicates Z: 65 42.116 2.254 0.656 0.493 0.891 0.609 CB 1.594 65 residues pruned to eliminate duplicates Z: 94 58.222 2.256 0.778 0.545 0.925 0.645 CB 1.558 94 residues pruned to eliminate duplicates Z: 16 30.400 2.235 0.589 0.896 0.933 0.800 CA 1.695 16 residues pruned to eliminate duplicates Z: 37 39.427 2.299 0.828 0.541 0.917 0.667 CB 1.639 37 residues pruned to eliminate duplicates Z: 94 55.984 2.263 0.752 0.540 0.903 0.677 CB 1.559 94 residues pruned to eliminate duplicates Z: 48 32.942 2.233 0.546 0.492 0.936 0.532 CB 1.498 48 residues pruned to eliminate duplicates Z: 92 61.609 2.274 0.794 0.563 0.945 0.692 CB 1.577 92 residues pruned to eliminate duplicates Z: 44 38.313 2.262 0.554 0.581 0.977 0.674 CB 1.574 44 residues pruned to eliminate duplicates Z: 65 43.011 2.270 0.650 0.507 0.906 0.594 CB 1.574 65 residues pruned to eliminate duplicates Z: 64 48.379 2.290 0.716 0.527 0.937 0.698 CB 1.612 64 residues pruned to eliminate duplicates Z: 94 59.362 2.240 0.817 0.558 0.925 0.613 CB 1.545 94 residues pruned to eliminate duplicates Z: 43 37.769 2.322 0.593 0.584 0.905 0.643 CB 1.606 43 residues pruned to eliminate duplicates Z: 73 50.779 2.235 0.874 0.512 0.903 0.569 CB 1.563 73 residues pruned to eliminate duplicates Z: 92 59.255 2.266 0.777 0.543 0.945 0.692 CB 1.565 92 residues pruned to eliminate duplicates Z: 62 47.242 2.300 0.799 0.515 0.902 0.656 CB 1.598 62 residues pruned to eliminate duplicates Z: 47 38.288 2.259 0.668 0.527 0.957 0.652 CB 1.525 47 residues pruned to eliminate duplicates Z: 64 49.846 2.290 0.832 0.539 0.921 0.603 CB 1.565 64 residues pruned to eliminate duplicates Z: 64 47.233 2.304 0.781 0.511 0.905 0.698 CB 1.586 64 residues pruned to eliminate duplicates Z: 43 39.115 2.295 0.708 0.584 0.929 0.524 CB 1.531 43 residues pruned to eliminate duplicates Z: 44 37.815 2.270 0.674 0.587 0.907 0.721 CB 1.540 44 residues pruned to eliminate duplicates Z: 46 37.756 2.202 0.747 0.536 0.956 0.600 CB 1.478 46 residues pruned to eliminate duplicates Z: 59 42.720 2.274 0.785 0.501 0.914 0.621 CB 1.511 59 residues pruned to eliminate duplicates Z: 61 47.372 2.305 0.788 0.547 0.883 0.667 CB 1.605 61 residues pruned to eliminate duplicates Z: 42 39.780 2.312 0.622 0.599 0.951 0.683 CB 1.584 42 residues pruned to eliminate duplicates Z: 85 49.512 2.234 0.757 0.514 0.905 0.655 CB 1.500 85 residues pruned to eliminate duplicates Z: 94 57.284 2.252 0.812 0.550 0.903 0.688 CB 1.535 94 residues pruned to eliminate duplicates Z: 64 50.246 2.287 0.872 0.527 0.921 0.619 CB 1.564 64 residues pruned to eliminate duplicates Z: 42 39.029 2.263 0.736 0.579 0.951 0.634 CB 1.511 42 residues pruned to eliminate duplicates Z: 95 57.309 2.231 0.784 0.550 0.926 0.713 CB 1.529 95 residues pruned to eliminate duplicates Z: 12 24.114 2.361 0.691 0.812 0.818 0.545 CB 1.696 12 residues pruned to eliminate duplicates Z: 64 50.589 2.288 0.764 0.536 0.968 0.730 CB 1.573 64 residues pruned to eliminate duplicates Z: 47 35.749 2.258 0.574 0.527 0.935 0.630 CB 1.544 47 residues pruned to eliminate duplicates Z: 14 27.504 2.273 0.954 0.781 0.923 0.462 CB 1.452 14 residues pruned to eliminate duplicates Z: 59 48.540 2.277 0.829 0.534 0.966 0.638 CB 1.533 59 residues pruned to eliminate duplicates Z: 82 54.006 2.273 0.842 0.519 0.914 0.667 CB 1.539 82 residues pruned to eliminate duplicates Z: 92 53.215 2.222 0.862 0.490 0.901 0.582 CB 1.511 92 residues pruned to eliminate duplicates Z: 69 51.544 2.271 0.771 0.527 0.912 0.691 CB 1.659 69 residues pruned to eliminate duplicates Z: 85 51.840 2.216 0.789 0.508 0.929 0.619 CB 1.525 85 residues pruned to eliminate duplicates Z: 11 21.994 2.154 1.103 0.576 0.900 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 74 53.622 2.254 0.830 0.539 0.932 0.699 CB 1.572 74 residues pruned to eliminate duplicates Z: 11 19.925 2.124 0.953 0.575 0.900 0.800 CB 1.570 11 residues pruned to eliminate duplicates Z: 26 21.147 2.037 0.887 0.433 0.880 0.600 CB 1.340 26 residues pruned to eliminate duplicates Z: 96 56.095 2.268 0.780 0.523 0.916 0.642 CB 1.522 96 residues pruned to eliminate duplicates Z: 73 49.649 2.237 0.851 0.522 0.889 0.583 CB 1.555 73 residues pruned to eliminate duplicates Z: 11 22.283 2.154 1.133 0.583 0.900 0.900 CB 1.574 11 residues pruned to eliminate duplicates Z: 29 23.598 2.113 0.864 0.411 0.929 0.500 CB 1.339 29 residues pruned to eliminate duplicates Z: 27 21.662 2.067 0.821 0.467 0.846 0.692 CB 1.379 27 residues pruned to eliminate duplicates Z: 28 20.871 2.067 0.773 0.492 0.889 0.667 CB 1.243 28 residues pruned to eliminate duplicates Z: 132 63.936 2.219 0.786 0.511 0.924 0.611 CB 1.510 225 residues pruned to eliminate duplicates Z: 8 4.875 1.703 0.129 0.369 1.000 0.571 CB 1.103 8 residues pruned to eliminate duplicates Z: 31 22.872 2.077 0.998 0.366 0.867 0.533 CB 1.340 31 residues pruned to eliminate duplicates Z: 30 20.298 2.090 0.870 0.419 0.793 0.621 CB 1.323 30 residues pruned to eliminate duplicates Z: 82 53.466 2.267 0.798 0.532 0.926 0.654 CB 1.525 82 residues pruned to eliminate duplicates Z: 29 28.385 2.182 1.005 0.492 0.893 0.643 CB 1.385 29 residues pruned to eliminate duplicates Z: 31 22.821 2.099 0.895 0.471 0.867 0.633 CB 1.245 31 residues pruned to eliminate duplicates Z: 31 24.509 2.099 0.968 0.474 0.967 0.700 CB 1.151 31 residues pruned to eliminate duplicates Z: 21 15.718 1.970 0.894 0.346 0.950 0.500 CB 1.172 21 residues pruned to eliminate duplicates Z: 120 62.967 2.226 0.859 0.513 0.933 0.630 CB 1.476 120 residues pruned to eliminate duplicates Z: 21 12.695 2.029 0.918 0.364 0.850 0.400 CB 0.994 21 residues pruned to eliminate duplicates Z: 30 23.481 2.124 0.883 0.469 0.862 0.655 CB 1.306 30 residues pruned to eliminate duplicates Z: 21 20.212 2.031 0.791 0.484 0.850 0.700 CB 1.486 21 residues pruned to eliminate duplicates Z: 43 26.399 2.118 0.741 0.459 0.905 0.595 CB 1.273 43 residues pruned to eliminate duplicates Z: 43 25.106 2.096 0.632 0.440 0.952 0.690 CB 1.266 43 residues pruned to eliminate duplicates Z: 81 51.208 2.191 0.793 0.564 0.950 0.738 CB 1.442 81 residues pruned to eliminate duplicates Z: 21 19.341 2.035 0.640 0.485 0.950 0.650 CB 1.385 21 residues pruned to eliminate duplicates Z: 15 14.014 1.886 0.527 0.478 0.929 0.643 CB 1.432 14 residues pruned to eliminate duplicates Z: 6 6.039 1.783 0.530 0.352 1.000 0.400 CB 1.162 6 residues pruned to eliminate duplicates Z: 39 18.481 1.954 0.558 0.396 0.947 0.658 CB 1.160 39 residues pruned to eliminate duplicates Z: 15 18.273 1.917 0.675 0.645 0.929 0.786 CA 1.431 15 residues pruned to eliminate duplicates Z: 15 20.156 2.023 0.637 0.641 1.000 0.786 CB 1.426 16 residues pruned to eliminate duplicates Z: 8 7.903 1.617 0.788 0.472 1.000 0.429 CA 1.062 8 residues pruned to eliminate duplicates Z: 15 18.559 1.972 0.626 0.632 1.000 0.929 CB 1.366 15 residues pruned to eliminate duplicates Z: 10 18.797 2.145 0.864 0.726 0.889 0.889 CB 1.438 10 residues pruned to eliminate duplicates Z: 6 5.107 1.696 0.437 0.441 0.800 0.800 CA 1.245 6 residues pruned to eliminate duplicates Z: 41 29.816 2.155 0.892 0.519 0.925 0.700 CB 1.227 41 residues pruned to eliminate duplicates Z: 25 24.026 2.124 0.959 0.439 0.875 0.708 CB 1.434 Z: 6 9.814 1.666 1.144 0.377 1.000 0.800 CA 1.401 6 residues pruned to eliminate duplicates Z: 28 20.479 2.010 1.130 0.426 0.852 0.593 CB 1.168 27 residues pruned to eliminate duplicates Z: 6 4.259 1.478 0.957 0.326 1.000 0.600 CB 0.798 6 residues pruned to eliminate duplicates Z: 15 12.008 2.047 0.823 0.350 0.786 0.643 CB 1.288 14 residues pruned to eliminate duplicates Z: 9 4.749 1.509 0.450 0.455 1.000 0.625 CB 0.803 9 residues pruned to eliminate duplicates Z: 18 14.846 2.118 0.579 0.400 0.882 0.588 CB 1.357 14 residues pruned to eliminate duplicates Z: 6 3.324 1.454 1.126 0.376 0.800 0.800 CB 0.686 6 residues pruned to eliminate duplicates Z: 19 19.642 2.085 0.919 0.435 0.944 0.500 CB 1.310 18 residues pruned to eliminate duplicates Z: 6 7.041 1.835 0.532 0.468 1.000 0.400 CA 1.158 6 residues pruned to eliminate duplicates Z: 19 16.284 2.095 0.805 0.416 0.889 0.611 CB 1.247 19 residues pruned to eliminate duplicates Z: 8 11.985 1.939 0.925 0.378 1.000 0.714 CA 1.382 8 residues pruned to eliminate duplicates Z: 17 8.467 1.779 0.370 0.287 0.875 0.438 CB 1.262 10 residues pruned to eliminate duplicates Z: 6 6.240 1.835 0.145 0.514 1.000 0.800 CB 1.310 6 residues pruned to eliminate duplicates Z: 23 22.986 2.093 0.726 0.500 0.909 0.636 CB 1.493 18 residues pruned to eliminate duplicates Z: 9 6.070 1.524 0.446 0.419 0.875 0.625 CA 1.212 9 residues pruned to eliminate duplicates Z: 34 19.956 2.073 0.673 0.390 0.818 0.576 CB 1.375 11 residues pruned to eliminate duplicates Z: 6 5.460 1.595 0.873 0.383 0.800 0.600 CA 1.157 Z: 6 8.252 1.905 0.378 0.453 1.000 0.400 CA 1.475 Z: 6 3.381 1.508 0.335 0.363 0.800 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 47 37.026 2.123 0.826 0.521 0.935 0.761 CB 1.475 59 residues pruned to eliminate duplicates Z: 94 57.741 2.204 0.788 0.547 0.935 0.656 CB 1.551 94 residues pruned to eliminate duplicates Z: 46 40.970 2.156 0.851 0.548 0.956 0.689 CB 1.527 46 residues pruned to eliminate duplicates Z: 52 36.716 2.099 0.822 0.484 0.902 0.608 CB 1.515 52 residues pruned to eliminate duplicates Z: 93 56.953 2.214 0.809 0.558 0.924 0.652 CB 1.517 93 residues pruned to eliminate duplicates Z: 82 47.840 2.176 0.743 0.527 0.914 0.691 CB 1.495 82 residues pruned to eliminate duplicates Z: 92 55.606 2.192 0.783 0.547 0.912 0.637 CB 1.562 92 residues pruned to eliminate duplicates Z: 94 57.084 2.201 0.825 0.546 0.903 0.667 CB 1.560 94 residues pruned to eliminate duplicates Z: 93 56.050 2.198 0.823 0.542 0.913 0.685 CB 1.534 93 residues pruned to eliminate duplicates Z: 94 52.440 2.190 0.772 0.538 0.892 0.602 CB 1.512 94 residues pruned to eliminate duplicates Z: 33 33.074 2.028 0.912 0.588 0.969 0.656 CB 1.430 33 residues pruned to eliminate duplicates Z: 106 54.479 2.141 0.844 0.505 0.895 0.629 CB 1.496 106 residues pruned to eliminate duplicates Z: 38 26.674 1.888 0.853 0.505 0.946 0.595 CB 1.318 38 residues pruned to eliminate duplicates Z: 92 58.172 2.221 0.774 0.551 0.956 0.692 CB 1.541 92 residues pruned to eliminate duplicates Z: 92 59.013 2.242 0.780 0.564 0.934 0.670 CB 1.561 92 residues pruned to eliminate duplicates Z: 93 60.059 2.228 0.783 0.558 0.957 0.674 CB 1.557 93 residues pruned to eliminate duplicates Z: 58 41.080 2.152 0.763 0.576 0.912 0.509 CB 1.461 58 residues pruned to eliminate duplicates Z: 66 44.908 2.247 0.725 0.514 0.938 0.554 CB 1.511 66 residues pruned to eliminate duplicates Z: 94 54.528 2.206 0.785 0.534 0.914 0.602 CB 1.520 94 residues pruned to eliminate duplicates Z: 94 56.353 2.209 0.778 0.554 0.925 0.645 CB 1.527 94 residues pruned to eliminate duplicates Z: 61 43.715 2.251 0.699 0.545 0.883 0.633 CB 1.598 61 residues pruned to eliminate duplicates Z: 48 36.650 2.237 0.688 0.489 0.894 0.596 CB 1.602 48 residues pruned to eliminate duplicates Z: 13 22.932 2.152 0.991 0.477 0.917 0.583 CA 1.725 13 residues pruned to eliminate duplicates Z: 63 45.603 2.225 0.730 0.541 0.903 0.629 CB 1.600 63 residues pruned to eliminate duplicates Z: 62 47.006 2.263 0.765 0.554 0.885 0.623 CB 1.616 62 residues pruned to eliminate duplicates Z: 65 45.130 2.217 0.761 0.532 0.906 0.609 CB 1.545 65 residues pruned to eliminate duplicates Z: 67 42.033 2.137 0.713 0.565 0.894 0.697 CB 1.485 67 residues pruned to eliminate duplicates Z: 61 47.597 2.255 0.746 0.546 0.933 0.633 CB 1.599 61 residues pruned to eliminate duplicates Z: 63 43.940 2.241 0.763 0.537 0.855 0.597 CB 1.593 63 residues pruned to eliminate duplicates Z: 48 36.324 2.234 0.643 0.489 0.915 0.638 CB 1.595 48 residues pruned to eliminate duplicates Z: 60 45.472 2.285 0.686 0.547 0.898 0.661 CB 1.634 60 residues pruned to eliminate duplicates Z: 59 49.331 2.323 0.760 0.553 0.914 0.638 CB 1.646 59 residues pruned to eliminate duplicates Z: 64 46.391 2.251 0.750 0.523 0.921 0.635 CB 1.575 64 residues pruned to eliminate duplicates Z: 61 53.178 2.280 0.811 0.549 0.967 0.700 CB 1.639 61 residues pruned to eliminate duplicates Z: 35 33.414 2.185 0.670 0.594 0.941 0.647 CB 1.526 35 residues pruned to eliminate duplicates Z: 94 53.305 2.199 0.737 0.536 0.914 0.688 CB 1.528 94 residues pruned to eliminate duplicates Z: 48 39.935 2.212 0.695 0.500 0.979 0.660 CB 1.588 48 residues pruned to eliminate duplicates Z: 60 54.031 2.276 0.861 0.576 0.949 0.644 CB 1.625 60 residues pruned to eliminate duplicates Z: 61 47.449 2.260 0.854 0.540 0.900 0.633 CB 1.563 61 residues pruned to eliminate duplicates Z: 60 48.481 2.293 0.773 0.561 0.898 0.644 CB 1.629 60 residues pruned to eliminate duplicates Z: 61 53.319 2.284 0.875 0.563 0.933 0.667 CB 1.620 61 residues pruned to eliminate duplicates Z: 61 46.322 2.270 0.749 0.555 0.883 0.667 CB 1.616 61 residues pruned to eliminate duplicates Z: 50 35.414 2.193 0.716 0.524 0.857 0.592 CB 1.532 50 residues pruned to eliminate duplicates Z: 42 37.908 2.266 0.689 0.602 0.878 0.610 CB 1.597 42 residues pruned to eliminate duplicates Z: 94 55.804 2.181 0.779 0.568 0.925 0.656 CB 1.509 94 residues pruned to eliminate duplicates Z: 47 38.601 2.260 0.649 0.491 0.978 0.674 CB 1.575 47 residues pruned to eliminate duplicates Z: 59 45.259 2.259 0.745 0.520 0.914 0.603 CB 1.617 59 residues pruned to eliminate duplicates Z: 60 51.844 2.305 0.782 0.560 0.932 0.661 CB 1.663 60 residues pruned to eliminate duplicates Z: 56 49.156 2.307 0.743 0.563 0.927 0.655 CB 1.672 56 residues pruned to eliminate duplicates Z: 80 48.515 2.174 0.856 0.497 0.899 0.671 CB 1.510 80 residues pruned to eliminate duplicates Z: 62 47.839 2.277 0.800 0.545 0.918 0.623 CB 1.558 62 residues pruned to eliminate duplicates Z: 57 46.802 2.273 0.816 0.544 0.893 0.643 CB 1.625 57 residues pruned to eliminate duplicates Z: 65 50.859 2.240 0.887 0.540 0.891 0.594 CB 1.623 65 residues pruned to eliminate duplicates Z: 48 38.518 2.227 0.764 0.512 0.894 0.617 CB 1.581 48 residues pruned to eliminate duplicates Z: 48 41.490 2.269 0.775 0.561 0.872 0.532 CB 1.624 48 residues pruned to eliminate duplicates Z: 49 42.589 2.222 0.770 0.557 0.958 0.625 CB 1.543 49 residues pruned to eliminate duplicates Z: 92 61.048 2.235 0.838 0.568 0.945 0.659 CB 1.544 92 residues pruned to eliminate duplicates Z: 60 48.689 2.274 0.794 0.570 0.915 0.576 CB 1.587 60 residues pruned to eliminate duplicates Z: 56 49.655 2.292 0.865 0.547 0.927 0.600 CB 1.613 56 residues pruned to eliminate duplicates Z: 49 38.748 2.190 0.794 0.506 0.917 0.458 CB 1.543 49 residues pruned to eliminate duplicates Z: 61 49.982 2.261 0.842 0.553 0.933 0.667 CB 1.576 61 residues pruned to eliminate duplicates Z: 80 49.895 2.153 0.822 0.517 0.937 0.709 CB 1.503 80 residues pruned to eliminate duplicates Z: 61 48.106 2.264 0.781 0.558 0.917 0.617 CB 1.588 61 residues pruned to eliminate duplicates Z: 46 39.091 2.272 0.746 0.577 0.911 0.533 CB 1.497 46 residues pruned to eliminate duplicates Z: 56 49.885 2.295 0.829 0.547 0.927 0.564 CB 1.651 56 residues pruned to eliminate duplicates Z: 94 62.223 2.191 0.883 0.563 0.957 0.667 CB 1.538 94 residues pruned to eliminate duplicates Z: 59 50.590 2.283 0.829 0.535 0.966 0.603 CB 1.592 59 residues pruned to eliminate duplicates Z: 77 53.268 2.252 0.857 0.545 0.921 0.658 CB 1.517 77 residues pruned to eliminate duplicates Z: 59 53.331 2.296 0.796 0.569 0.983 0.586 CB 1.617 59 residues pruned to eliminate duplicates Z: 60 53.579 2.302 0.878 0.573 0.915 0.661 CB 1.643 60 residues pruned to eliminate duplicates Z: 40 41.944 2.285 0.736 0.635 0.949 0.718 CB 1.572 40 residues pruned to eliminate duplicates Z: 56 52.530 2.299 0.895 0.560 0.945 0.691 CB 1.622 56 residues pruned to eliminate duplicates Z: 64 48.356 2.288 0.832 0.544 0.921 0.667 CB 1.513 64 residues pruned to eliminate duplicates Z: 48 42.490 2.257 0.839 0.568 0.915 0.553 CB 1.529 48 residues pruned to eliminate duplicates Z: 61 53.794 2.248 0.870 0.580 0.967 0.717 CB 1.583 61 residues pruned to eliminate duplicates 341 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 7 D: 288 E: 6 F: 13 G: 12 CC for partial structure against native data = 35.96 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.463, Connect. = 0.729 for dens.mod. cycle 1 = 0.300, Contrast = 0.534, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.634, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.642, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.660, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.667, Connect. = 0.796 for dens.mod. cycle 7 = 0.300, Contrast = 0.670, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.674, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.676, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2412 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 522 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 25.328 2.492 0.468 0.833 0.900 0.800 CB 1.824 B: 14 25.396 2.162 0.726 0.840 1.000 0.846 CB 1.408 11 residues pruned to eliminate duplicates C: 15 36.767 2.396 0.626 0.909 1.000 0.714 CB 1.792 D: 13 27.590 2.143 0.676 0.887 1.000 0.917 CB 1.599 E: 12 20.175 2.348 0.262 0.760 0.909 0.909 CA 1.792 12 residues pruned to eliminate duplicates F: 14 32.154 2.210 1.036 0.840 0.923 0.846 CB 1.603 13 residues pruned to eliminate duplicates G: 12 34.513 2.337 0.770 0.850 1.000 0.909 CB 1.864 12 residues pruned to eliminate duplicates H: 10 30.604 2.488 0.598 0.922 1.000 1.000 CB 1.804 12 residues pruned to eliminate duplicates I: 12 30.472 2.294 0.749 0.923 1.000 1.000 CB 1.609 11 residues pruned to eliminate duplicates J: 16 39.752 2.288 0.752 0.925 1.000 0.867 CA 1.797 15 residues pruned to eliminate duplicates K: 12 26.677 2.225 0.836 0.908 0.909 0.727 CB 1.539 12 residues pruned to eliminate duplicates L: 14 22.942 2.094 0.617 0.824 1.000 0.692 CB 1.420 14 residues pruned to eliminate duplicates M: 12 28.941 2.240 0.730 0.893 1.000 0.909 CA 1.616 12 residues pruned to eliminate duplicates N: 17 31.103 2.235 0.413 0.931 1.000 0.938 CB 1.720 17 residues pruned to eliminate duplicates O: 11 25.087 2.478 0.410 0.851 0.900 0.900 CB 1.867 11 residues pruned to eliminate duplicates P: 16 30.890 2.083 1.015 0.839 0.933 0.733 CB 1.521 Q: 14 31.153 2.117 0.864 0.882 1.000 0.923 CA 1.584 R: 21 22.476 2.088 0.799 0.547 0.850 0.650 CB 1.504 S: 13 28.068 2.260 0.701 0.860 0.917 0.833 CA 1.691 13 residues pruned to eliminate duplicates T: 14 37.005 2.222 0.856 0.890 1.000 0.923 CB 1.790 14 residues pruned to eliminate duplicates U: 31 45.910 2.324 0.739 0.650 1.000 0.767 CB 1.804 16 residues pruned to eliminate duplicates V: 35 47.660 2.342 0.918 0.587 0.971 0.735 CB 1.725 31 residues pruned to eliminate duplicates W: 11 37.700 2.442 0.863 0.910 1.000 0.900 CB 1.859 12 residues pruned to eliminate duplicates X: 14 29.660 2.287 0.709 0.827 0.923 0.769 CB 1.718 14 residues pruned to eliminate duplicates Y: 17 29.298 2.171 0.786 0.865 0.875 0.812 CA 1.582 Z: 17 32.394 2.180 0.634 0.938 1.000 0.688 CB 1.582 Z: 96 69.106 2.276 0.862 0.551 0.958 0.642 CB 1.663 67 residues pruned to eliminate duplicates Z: 16 16.824 1.888 0.694 0.575 0.867 0.600 CB 1.458 16 residues pruned to eliminate duplicates Z: 16 25.212 2.225 0.815 0.516 1.000 0.733 CB 1.587 16 residues pruned to eliminate duplicates Z: 16 26.762 2.241 0.409 0.946 1.000 0.867 CB 1.512 16 residues pruned to eliminate duplicates Z: 13 34.577 2.141 0.922 0.898 1.000 0.917 CA 1.734 12 residues pruned to eliminate duplicates Z: 13 21.830 2.225 0.732 0.570 0.917 0.583 CB 1.666 Z: 16 41.310 2.322 0.855 0.932 1.000 0.667 CA 1.728 16 residues pruned to eliminate duplicates Z: 15 30.293 2.176 0.855 0.812 0.929 0.714 CB 1.646 15 residues pruned to eliminate duplicates Z: 15 27.654 2.227 0.717 0.800 0.857 0.714 CB 1.735 15 residues pruned to eliminate duplicates Z: 9 34.580 2.390 1.250 0.841 1.000 1.000 CB 1.696 9 residues pruned to eliminate duplicates Z: 22 17.497 2.136 0.706 0.465 0.857 0.619 CB 1.266 Z: 94 69.910 2.312 0.825 0.554 0.968 0.677 CB 1.684 94 residues pruned to eliminate duplicates Z: 27 16.900 2.058 0.591 0.447 0.846 0.731 CB 1.264 27 residues pruned to eliminate duplicates Z: 65 51.849 2.264 0.814 0.521 0.953 0.656 CB 1.620 65 residues pruned to eliminate duplicates Z: 15 37.976 2.403 0.657 0.943 1.000 1.000 CA 1.767 15 residues pruned to eliminate duplicates Z: 16 31.781 2.280 0.433 0.932 1.000 0.933 CB 1.753 16 residues pruned to eliminate duplicates Z: 16 38.341 2.349 0.749 0.920 0.933 0.667 CB 1.818 16 residues pruned to eliminate duplicates Z: 28 43.522 2.342 0.735 0.623 1.000 0.704 CB 1.836 28 residues pruned to eliminate duplicates Z: 17 31.338 2.192 0.740 0.918 0.938 0.812 CA 1.545 17 residues pruned to eliminate duplicates Z: 92 55.396 2.235 0.700 0.551 0.923 0.659 CB 1.576 31 residues pruned to eliminate duplicates Z: 81 60.453 2.312 0.749 0.524 0.950 0.663 CB 1.719 81 residues pruned to eliminate duplicates Z: 42 27.904 2.159 0.709 0.464 0.854 0.756 CB 1.436 21 residues pruned to eliminate duplicates Z: 14 33.524 2.350 0.784 0.829 0.923 0.923 CB 1.808 14 residues pruned to eliminate duplicates Z: 13 25.768 2.075 0.690 0.893 1.000 0.917 CA 1.523 13 residues pruned to eliminate duplicates Z: 13 32.001 2.269 1.012 0.881 0.917 0.833 CA 1.599 13 residues pruned to eliminate duplicates Z: 13 20.856 2.250 1.023 0.484 1.000 0.833 CA 1.344 13 residues pruned to eliminate duplicates Z: 16 29.679 2.211 0.684 0.947 1.000 0.933 CB 1.423 16 residues pruned to eliminate duplicates Z: 16 27.506 2.209 0.594 0.895 0.933 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 13 31.447 2.220 1.047 0.860 0.917 0.917 CA 1.603 13 residues pruned to eliminate duplicates Z: 20 26.356 2.132 0.923 0.603 0.895 0.684 CB 1.494 20 residues pruned to eliminate duplicates Z: 17 30.272 2.144 0.609 0.913 1.000 0.812 CB 1.552 17 residues pruned to eliminate duplicates Z: 16 37.904 2.248 0.882 0.902 1.000 0.800 CB 1.649 16 residues pruned to eliminate duplicates Z: 9 35.029 2.344 1.335 0.869 1.000 1.000 CB 1.653 13 residues pruned to eliminate duplicates Z: 47 51.875 2.361 0.969 0.538 0.935 0.674 CB 1.695 47 residues pruned to eliminate duplicates Z: 98 54.249 2.206 0.642 0.538 0.938 0.608 CB 1.561 92 residues pruned to eliminate duplicates Z: 54 40.430 2.081 0.808 0.520 0.925 0.679 CB 1.565 60 residues pruned to eliminate duplicates Z: 15 40.373 2.367 0.822 0.926 1.000 0.786 CA 1.755 15 residues pruned to eliminate duplicates Z: 13 14.811 1.934 0.772 0.535 0.917 0.750 CB 1.316 13 residues pruned to eliminate duplicates Z: 16 25.891 2.157 0.541 0.901 0.933 0.933 CB 1.537 16 residues pruned to eliminate duplicates Z: 17 19.385 2.240 0.708 0.479 0.875 0.688 CB 1.479 18 residues pruned to eliminate duplicates Z: 14 32.021 2.370 0.572 0.922 1.000 0.923 CB 1.677 14 residues pruned to eliminate duplicates Z: 6 6.390 1.621 0.214 0.620 1.000 0.600 C 1.297 6 residues pruned to eliminate duplicates Z: 20 19.918 2.152 0.517 0.511 0.895 0.684 CB 1.547 20 residues pruned to eliminate duplicates Z: 17 37.161 2.203 0.967 0.893 0.875 0.438 CA 1.759 17 residues pruned to eliminate duplicates Z: 13 45.707 2.317 1.223 0.881 1.000 0.833 CB 1.855 13 residues pruned to eliminate duplicates Z: 13 22.708 2.186 0.528 0.849 0.917 0.667 CB 1.588 13 residues pruned to eliminate duplicates Z: 44 27.427 2.057 0.737 0.449 0.884 0.674 CB 1.396 43 residues pruned to eliminate duplicates Z: 13 35.600 2.213 1.191 0.872 1.000 0.833 CA 1.545 13 residues pruned to eliminate duplicates Z: 94 53.962 2.201 0.687 0.547 0.925 0.656 CB 1.557 93 residues pruned to eliminate duplicates Z: 16 30.276 2.237 0.677 0.944 0.933 0.933 CB 1.546 16 residues pruned to eliminate duplicates Z: 12 29.088 2.364 0.840 0.850 0.909 0.909 CA 1.643 12 residues pruned to eliminate duplicates Z: 16 31.781 2.251 0.396 0.909 1.000 0.867 CB 1.852 16 residues pruned to eliminate duplicates Z: 76 53.326 2.323 0.698 0.535 0.920 0.707 CB 1.639 76 residues pruned to eliminate duplicates Z: 48 52.384 2.318 0.989 0.536 0.957 0.766 CB 1.670 48 residues pruned to eliminate duplicates Z: 52 37.266 2.123 0.791 0.510 0.882 0.588 CB 1.540 52 residues pruned to eliminate duplicates Z: 17 31.845 2.261 0.613 0.914 0.938 0.875 CA 1.647 17 residues pruned to eliminate duplicates Z: 12 34.585 2.258 0.950 0.933 1.000 0.909 CA 1.653 12 residues pruned to eliminate duplicates Z: 14 25.553 2.281 0.581 0.938 1.000 0.846 CB 1.367 14 residues pruned to eliminate duplicates Z: 16 31.805 2.295 0.472 0.934 0.933 0.867 CA 1.816 16 residues pruned to eliminate duplicates Z: 61 48.092 2.273 0.738 0.531 0.933 0.617 CB 1.633 29 residues pruned to eliminate duplicates Z: 61 48.603 2.262 0.783 0.531 0.933 0.617 CB 1.617 60 residues pruned to eliminate duplicates Z: 14 29.423 2.351 0.397 0.936 1.000 0.923 CA 1.730 14 residues pruned to eliminate duplicates Z: 16 28.204 2.245 0.336 0.916 1.000 0.867 CB 1.715 16 residues pruned to eliminate duplicates Z: 16 36.916 2.287 0.661 0.921 1.000 0.733 CB 1.766 16 residues pruned to eliminate duplicates Z: 9 11.297 1.913 0.616 0.552 0.875 0.625 CB 1.404 9 residues pruned to eliminate duplicates Z: 16 38.679 2.280 0.958 0.894 0.933 0.667 CB 1.720 16 residues pruned to eliminate duplicates Z: 15 37.635 2.390 0.702 0.912 1.000 0.786 CB 1.752 15 residues pruned to eliminate duplicates Z: 96 71.878 2.292 0.925 0.539 0.958 0.674 CB 1.678 95 residues pruned to eliminate duplicates Z: 14 32.391 2.385 0.475 0.937 1.000 0.846 CB 1.776 14 residues pruned to eliminate duplicates Z: 10 12.191 1.838 0.980 0.670 0.889 0.778 CB 1.073 Z: 16 33.952 2.279 0.669 0.942 1.000 0.933 CA 1.599 16 residues pruned to eliminate duplicates Z: 31 23.373 2.090 0.787 0.461 0.867 0.633 CB 1.371 31 residues pruned to eliminate duplicates Z: 69 48.052 2.190 0.811 0.511 0.971 0.618 CB 1.498 48 residues pruned to eliminate duplicates Z: 27 17.718 2.095 0.500 0.442 0.962 0.577 CB 1.221 22 residues pruned to eliminate duplicates Z: 80 61.501 2.334 0.821 0.540 0.911 0.734 CB 1.717 80 residues pruned to eliminate duplicates Z: 20 23.347 2.109 0.718 0.456 0.947 0.526 CB 1.632 20 residues pruned to eliminate duplicates Z: 89 49.624 2.207 0.742 0.506 0.920 0.614 CB 1.487 83 residues pruned to eliminate duplicates Z: 18 24.999 2.141 0.733 0.794 0.882 0.765 CB 1.431 18 residues pruned to eliminate duplicates Z: 15 19.999 1.996 0.602 0.659 0.929 0.714 CB 1.553 15 residues pruned to eliminate duplicates Z: 16 13.343 1.900 0.358 0.459 1.000 0.733 CB 1.391 16 residues pruned to eliminate duplicates Z: 83 50.246 2.267 0.672 0.537 0.902 0.671 CB 1.564 83 residues pruned to eliminate duplicates Z: 23 25.500 2.138 1.113 0.485 0.909 0.636 CB 1.344 29 residues pruned to eliminate duplicates Z: 30 26.391 2.128 0.795 0.453 0.931 0.552 CB 1.446 30 residues pruned to eliminate duplicates Z: 12 41.234 2.389 1.118 0.943 1.000 0.909 CB 1.702 12 residues pruned to eliminate duplicates Z: 96 62.328 2.278 0.727 0.560 0.926 0.674 CB 1.656 96 residues pruned to eliminate duplicates Z: 44 40.296 2.281 0.562 0.609 0.953 0.535 CB 1.631 44 residues pruned to eliminate duplicates Z: 14 37.920 2.402 0.615 0.934 1.000 1.000 CB 1.890 14 residues pruned to eliminate duplicates Z: 16 37.309 2.243 0.770 0.905 1.000 0.933 CB 1.726 16 residues pruned to eliminate duplicates Z: 60 54.273 2.296 0.807 0.569 0.932 0.678 CA 1.710 60 residues pruned to eliminate duplicates Z: 15 33.193 2.217 1.006 0.833 0.929 0.786 CB 1.611 15 residues pruned to eliminate duplicates Z: 9 24.754 2.270 1.018 0.749 0.875 0.875 CB 1.749 9 residues pruned to eliminate duplicates Z: 94 71.204 2.321 0.883 0.544 0.946 0.677 CB 1.710 96 residues pruned to eliminate duplicates Z: 96 62.986 2.286 0.741 0.541 0.958 0.695 CB 1.628 96 residues pruned to eliminate duplicates Z: 14 21.386 1.886 0.821 0.871 1.000 0.846 CB 1.259 14 residues pruned to eliminate duplicates Z: 60 51.260 2.331 0.712 0.562 0.949 0.576 CB 1.660 60 residues pruned to eliminate duplicates Z: 10 31.771 2.508 0.666 0.932 1.000 1.000 CB 1.771 10 residues pruned to eliminate duplicates Z: 93 56.243 2.204 0.693 0.558 0.935 0.674 CB 1.590 93 residues pruned to eliminate duplicates Z: 29 22.421 2.199 0.661 0.424 0.893 0.607 CB 1.407 27 residues pruned to eliminate duplicates Z: 29 25.734 1.918 0.817 0.654 0.964 0.679 CB 1.255 Z: 92 56.120 2.231 0.700 0.559 0.912 0.659 CB 1.605 92 residues pruned to eliminate duplicates Z: 57 31.081 2.082 0.721 0.475 0.911 0.679 CB 1.305 61 residues pruned to eliminate duplicates Z: 16 42.021 2.309 0.859 0.939 1.000 0.667 CA 1.757 16 residues pruned to eliminate duplicates Z: 14 43.226 2.316 1.053 0.877 1.000 1.000 CB 1.831 14 residues pruned to eliminate duplicates Z: 60 46.626 2.297 0.645 0.553 0.932 0.610 CB 1.637 60 residues pruned to eliminate duplicates Z: 16 14.523 1.929 0.577 0.539 0.800 0.733 CB 1.483 16 residues pruned to eliminate duplicates Z: 13 39.460 2.260 1.256 0.856 1.000 0.833 CA 1.647 13 residues pruned to eliminate duplicates Z: 22 24.469 2.170 0.841 0.466 0.952 0.667 CB 1.453 22 residues pruned to eliminate duplicates Z: 45 38.735 2.146 0.707 0.549 0.955 0.727 CB 1.592 45 residues pruned to eliminate duplicates Z: 16 26.609 2.347 0.287 0.903 0.933 0.867 CA 1.738 16 residues pruned to eliminate duplicates Z: 67 46.958 2.150 0.867 0.544 0.939 0.591 CB 1.469 67 residues pruned to eliminate duplicates Z: 19 24.475 2.234 0.419 0.800 0.944 0.833 CA 1.482 19 residues pruned to eliminate duplicates Z: 17 19.413 2.028 0.905 0.489 0.875 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 8 12.102 1.926 0.942 0.631 1.000 0.571 CB 1.082 3 residues pruned to eliminate duplicates Z: 13 38.051 2.322 0.903 0.866 1.000 1.000 CB 1.820 13 residues pruned to eliminate duplicates Z: 16 41.371 2.323 0.758 0.923 1.000 0.800 CB 1.837 16 residues pruned to eliminate duplicates Z: 19 17.019 2.095 0.699 0.462 0.778 0.667 CB 1.506 19 residues pruned to eliminate duplicates Z: 28 22.812 2.094 0.776 0.493 0.963 0.778 CB 1.235 28 residues pruned to eliminate duplicates Z: 71 49.430 2.152 0.855 0.551 0.929 0.657 CB 1.517 72 residues pruned to eliminate duplicates Z: 13 46.717 2.328 1.281 0.888 1.000 0.833 CB 1.829 13 residues pruned to eliminate duplicates Z: 66 42.251 2.203 0.743 0.491 0.892 0.631 CB 1.544 66 residues pruned to eliminate duplicates Z: 14 23.045 2.231 0.648 0.612 1.000 0.615 CB 1.563 14 residues pruned to eliminate duplicates Z: 14 20.619 1.881 0.876 0.861 1.000 0.615 CB 1.190 14 residues pruned to eliminate duplicates Z: 7 9.584 2.084 -0.001 0.896 1.000 0.667 CA 1.346 7 residues pruned to eliminate duplicates Z: 24 27.384 2.125 1.118 0.497 0.870 0.696 CB 1.463 24 residues pruned to eliminate duplicates Z: 13 38.086 2.243 1.209 0.906 1.000 0.417 CA 1.578 13 residues pruned to eliminate duplicates Z: 20 11.399 1.985 0.811 0.254 0.842 0.316 CB 1.146 20 residues pruned to eliminate duplicates Z: 9 20.121 2.128 0.830 0.698 0.875 0.875 CA 1.742 9 residues pruned to eliminate duplicates Z: 8 9.827 1.712 0.884 0.761 0.857 0.714 CB 1.065 8 residues pruned to eliminate duplicates Z: 63 38.825 2.215 0.661 0.480 0.871 0.597 CB 1.571 63 residues pruned to eliminate duplicates Z: 65 44.536 2.231 0.734 0.538 0.875 0.656 CB 1.584 65 residues pruned to eliminate duplicates Z: 27 25.153 2.091 0.913 0.544 0.923 0.615 CB 1.280 27 residues pruned to eliminate duplicates Z: 11 33.392 2.409 0.771 0.923 1.000 1.000 CB 1.739 11 residues pruned to eliminate duplicates Z: 16 30.039 2.280 0.388 0.926 1.000 0.867 CA 1.719 16 residues pruned to eliminate duplicates Z: 10 40.122 2.482 0.983 0.919 1.000 0.889 CB 1.916 12 residues pruned to eliminate duplicates Z: 93 54.101 2.231 0.868 0.512 0.880 0.620 CB 1.519 93 residues pruned to eliminate duplicates Z: 26 20.578 2.229 0.538 0.489 0.880 0.720 CB 1.379 26 residues pruned to eliminate duplicates Z: 94 51.447 2.118 0.757 0.556 0.946 0.720 CB 1.435 123 residues pruned to eliminate duplicates Z: 43 43.152 2.282 0.896 0.578 0.905 0.810 CB 1.578 43 residues pruned to eliminate duplicates Z: 35 41.131 2.321 0.746 0.590 0.941 0.706 CB 1.697 35 residues pruned to eliminate duplicates Z: 34 22.555 1.847 0.704 0.550 0.970 0.727 CB 1.225 Z: 8 7.932 1.851 0.844 0.707 1.000 0.571 CB 0.728 Z: 25 18.967 2.132 0.627 0.454 0.875 0.625 CB 1.337 25 residues pruned to eliminate duplicates Z: 93 62.846 2.268 0.795 0.521 0.935 0.630 CB 1.687 93 residues pruned to eliminate duplicates Z: 19 17.226 2.088 0.847 0.399 0.944 0.667 CB 1.240 19 residues pruned to eliminate duplicates Z: 81 58.721 2.287 0.862 0.519 0.938 0.675 CB 1.613 81 residues pruned to eliminate duplicates Z: 8 25.250 2.185 0.975 0.813 1.000 1.000 CB 1.684 8 residues pruned to eliminate duplicates Z: 16 31.836 2.247 0.718 0.897 0.933 0.600 CB 1.633 16 residues pruned to eliminate duplicates Z: 9 8.597 1.705 0.636 0.460 0.875 0.750 CB 1.297 9 residues pruned to eliminate duplicates Z: 17 32.186 2.220 0.621 0.903 0.938 0.562 CB 1.701 17 residues pruned to eliminate duplicates Z: 11 11.239 1.877 0.820 0.329 0.900 0.600 CB 1.395 10 residues pruned to eliminate duplicates Z: 17 26.052 2.042 0.770 0.799 0.938 0.750 CB 1.481 17 residues pruned to eliminate duplicates Z: 14 28.362 2.270 0.727 0.929 1.000 0.769 CB 1.404 14 residues pruned to eliminate duplicates Z: 15 27.918 2.203 0.553 0.886 1.000 0.857 CB 1.573 15 residues pruned to eliminate duplicates Z: 13 20.873 2.059 0.962 0.564 1.000 0.667 CB 1.401 13 residues pruned to eliminate duplicates Z: 14 28.951 2.372 0.530 0.903 0.923 0.769 CA 1.708 14 residues pruned to eliminate duplicates Z: 12 26.372 2.254 0.763 0.892 1.000 1.000 CB 1.437 12 residues pruned to eliminate duplicates Z: 16 26.304 2.221 0.390 0.939 1.000 0.867 CB 1.530 16 residues pruned to eliminate duplicates Z: 94 50.323 2.108 0.733 0.554 0.946 0.645 CB 1.432 94 residues pruned to eliminate duplicates Z: 14 17.654 1.861 0.482 0.864 1.000 0.846 CB 1.302 14 residues pruned to eliminate duplicates Z: 21 36.074 2.298 0.648 0.745 1.000 0.550 CB 1.711 21 residues pruned to eliminate duplicates Z: 47 40.727 2.227 0.796 0.520 0.913 0.630 CB 1.612 47 residues pruned to eliminate duplicates Z: 28 26.149 2.232 0.680 0.501 0.963 0.704 CB 1.392 29 residues pruned to eliminate duplicates Z: 15 31.218 1.981 1.066 0.852 1.000 0.643 CA 1.508 15 residues pruned to eliminate duplicates Z: 11 16.362 2.091 0.749 0.568 0.900 0.700 CB 1.472 11 residues pruned to eliminate duplicates Z: 14 18.878 2.066 0.659 0.605 0.923 0.615 CB 1.497 14 residues pruned to eliminate duplicates Z: 94 55.625 2.202 0.700 0.565 0.925 0.699 CB 1.565 93 residues pruned to eliminate duplicates Z: 10 9.226 1.860 0.884 0.451 0.778 0.444 CB 1.186 10 residues pruned to eliminate duplicates Z: 34 27.915 1.999 0.662 0.605 0.939 0.697 CB 1.409 34 residues pruned to eliminate duplicates Z: 13 9.471 1.930 0.580 0.542 0.667 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 17 17.803 1.909 0.702 0.522 0.938 0.688 CB 1.430 18 residues pruned to eliminate duplicates Z: 24 28.670 2.135 0.796 0.653 0.870 0.478 CB 1.555 24 residues pruned to eliminate duplicates Z: 15 24.123 2.276 0.279 0.902 1.000 0.929 CB 1.579 15 residues pruned to eliminate duplicates Z: 31 18.408 2.063 0.538 0.401 0.833 0.600 CB 1.410 31 residues pruned to eliminate duplicates Z: 28 30.311 2.271 0.853 0.500 0.926 0.704 CB 1.497 28 residues pruned to eliminate duplicates Z: 20 22.469 2.081 0.930 0.472 0.895 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 16 24.681 2.220 0.333 0.940 1.000 0.800 CB 1.495 16 residues pruned to eliminate duplicates Z: 16 19.287 2.027 0.523 0.770 0.867 0.600 CB 1.465 16 residues pruned to eliminate duplicates Z: 13 33.700 2.243 0.986 0.841 1.000 0.583 CA 1.630 13 residues pruned to eliminate duplicates Z: 15 18.846 2.050 0.677 0.560 0.857 0.643 CA 1.612 15 residues pruned to eliminate duplicates Z: 13 41.281 2.381 1.015 0.948 1.000 0.750 CB 1.716 13 residues pruned to eliminate duplicates Z: 9 6.797 1.931 0.302 0.366 0.875 0.625 CB 1.262 Z: 23 23.799 2.140 1.002 0.488 0.909 0.727 CB 1.318 23 residues pruned to eliminate duplicates Z: 45 37.068 2.240 0.728 0.485 0.932 0.636 CB 1.574 45 residues pruned to eliminate duplicates Z: 15 26.405 2.134 0.635 0.841 0.929 0.786 CB 1.624 15 residues pruned to eliminate duplicates Z: 16 35.217 2.291 0.536 0.908 1.000 0.933 CB 1.835 16 residues pruned to eliminate duplicates Z: 10 13.011 1.966 0.587 0.593 0.889 0.778 CB 1.431 10 residues pruned to eliminate duplicates Z: 94 63.414 2.310 0.723 0.548 0.935 0.667 CB 1.685 94 residues pruned to eliminate duplicates Z: 15 26.197 2.188 0.796 0.806 0.857 0.643 CB 1.591 15 residues pruned to eliminate duplicates Z: 46 37.680 2.125 0.699 0.539 0.956 0.711 CB 1.567 47 residues pruned to eliminate duplicates Z: 16 36.276 2.378 0.667 0.840 1.000 0.667 CA 1.763 16 residues pruned to eliminate duplicates Z: 19 12.315 1.878 0.415 0.485 0.778 0.556 CB 1.426 19 residues pruned to eliminate duplicates Z: 18 18.750 2.072 0.939 0.459 0.824 0.588 CB 1.434 18 residues pruned to eliminate duplicates Z: 14 19.632 1.840 0.663 0.895 1.000 0.923 CB 1.276 14 residues pruned to eliminate duplicates Z: 9 20.811 2.181 0.958 0.607 1.000 0.875 CA 1.556 9 residues pruned to eliminate duplicates Z: 9 11.198 1.821 0.856 0.579 0.750 0.625 N 1.448 9 residues pruned to eliminate duplicates Z: 17 27.788 2.240 0.423 0.901 0.938 0.688 CA 1.660 17 residues pruned to eliminate duplicates Z: 16 8.900 1.819 0.582 0.254 0.867 0.600 CB 1.223 9 residues pruned to eliminate duplicates Z: 16 27.468 2.230 0.719 0.939 1.000 0.933 CB 1.286 16 residues pruned to eliminate duplicates Z: 49 36.714 2.190 0.715 0.517 0.917 0.500 CB 1.514 49 residues pruned to eliminate duplicates Z: 25 25.466 2.025 0.929 0.444 0.875 0.625 CA 1.611 25 residues pruned to eliminate duplicates Z: 10 11.606 1.848 0.701 0.551 0.889 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 15 25.882 2.145 0.570 0.815 0.929 0.786 CB 1.682 15 residues pruned to eliminate duplicates Z: 17 10.993 1.873 0.459 0.416 0.812 0.562 CB 1.351 17 residues pruned to eliminate duplicates Z: 12 30.303 2.367 0.776 0.837 0.909 0.636 CB 1.788 11 residues pruned to eliminate duplicates Z: 31 30.194 2.176 0.609 0.628 0.933 0.467 CB 1.495 31 residues pruned to eliminate duplicates Z: 17 27.908 2.210 0.477 0.904 0.938 0.812 CA 1.623 17 residues pruned to eliminate duplicates Z: 16 27.453 2.265 0.697 0.876 0.933 0.600 CB 1.436 16 residues pruned to eliminate duplicates Z: 19 24.142 2.025 0.788 0.511 0.944 0.833 CA 1.646 19 residues pruned to eliminate duplicates Z: 77 43.673 2.198 0.679 0.505 0.882 0.618 CB 1.533 35 residues pruned to eliminate duplicates Z: 11 18.008 2.137 0.931 0.512 0.900 0.800 CA 1.515 11 residues pruned to eliminate duplicates Z: 11 9.931 1.848 0.350 0.425 1.000 0.800 CB 1.362 11 residues pruned to eliminate duplicates Z: 23 36.302 2.282 0.830 0.667 0.955 0.818 CB 1.664 23 residues pruned to eliminate duplicates Z: 30 22.386 2.075 0.668 0.443 0.931 0.621 CB 1.368 30 residues pruned to eliminate duplicates Z: 10 18.986 2.166 0.815 0.704 0.889 0.889 CB 1.505 10 residues pruned to eliminate duplicates Z: 6 10.912 1.780 0.651 0.623 1.000 0.600 C 1.478 6 residues pruned to eliminate duplicates Z: 9 6.894 1.797 0.051 0.490 1.000 0.750 CB 1.304 9 residues pruned to eliminate duplicates Z: 6 8.653 1.710 0.585 0.617 1.000 1.000 CA 1.279 6 residues pruned to eliminate duplicates Z: 14 16.346 1.795 0.632 0.850 1.000 0.692 CB 1.147 14 residues pruned to eliminate duplicates Z: 26 26.203 2.164 0.665 0.492 0.920 0.520 CB 1.594 26 residues pruned to eliminate duplicates Z: 13 27.765 2.288 0.362 0.922 1.000 0.833 CB 1.808 13 residues pruned to eliminate duplicates Z: 6 4.232 1.245 0.549 0.724 0.800 0.600 CA 1.002 Z: 10 21.476 2.168 0.606 0.740 1.000 0.889 CB 1.659 10 residues pruned to eliminate duplicates Z: 14 17.343 1.713 0.851 0.860 1.000 0.923 CB 1.116 14 residues pruned to eliminate duplicates Z: 16 41.263 2.244 0.911 0.952 1.000 0.800 CB 1.711 16 residues pruned to eliminate duplicates Z: 118 68.186 2.247 0.866 0.538 0.923 0.675 CB 1.569 118 residues pruned to eliminate duplicates Z: 8 4.490 1.820 0.457 0.408 0.714 0.429 CB 0.987 8 residues pruned to eliminate duplicates Z: 31 24.419 2.135 0.766 0.469 0.833 0.533 CB 1.464 31 residues pruned to eliminate duplicates Z: 15 24.477 2.252 0.730 0.544 0.929 0.714 CA 1.731 15 residues pruned to eliminate duplicates Z: 47 44.219 2.244 0.843 0.538 0.935 0.674 CB 1.624 47 residues pruned to eliminate duplicates Z: 12 9.080 1.721 0.910 0.641 0.818 0.727 CB 0.892 14 residues pruned to eliminate duplicates Z: 10 17.812 2.076 0.948 0.708 0.889 0.778 CB 1.367 10 residues pruned to eliminate duplicates Z: 19 25.108 2.111 0.716 0.648 0.889 0.667 CB 1.601 19 residues pruned to eliminate duplicates Z: 11 16.848 2.050 0.673 0.663 0.900 0.800 CB 1.483 20 residues pruned to eliminate duplicates Z: 47 36.510 2.213 0.701 0.542 0.913 0.609 CB 1.504 47 residues pruned to eliminate duplicates Z: 50 29.859 1.965 0.756 0.548 0.939 0.633 CB 1.256 83 residues pruned to eliminate duplicates Z: 14 16.996 1.901 0.715 0.813 0.923 0.846 CB 1.193 14 residues pruned to eliminate duplicates Z: 19 17.815 2.115 0.799 0.494 0.778 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 13 38.432 2.166 1.289 0.880 1.000 0.750 CA 1.622 13 residues pruned to eliminate duplicates Z: 31 20.661 2.103 0.737 0.402 0.900 0.567 CB 1.273 31 residues pruned to eliminate duplicates Z: 29 19.280 2.124 0.705 0.433 0.857 0.679 CB 1.258 29 residues pruned to eliminate duplicates Z: 14 12.043 2.007 0.863 0.328 0.923 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 29 25.057 1.922 0.728 0.665 1.000 0.786 CB 1.223 Z: 13 12.347 2.017 0.572 0.508 0.917 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 11 14.431 1.908 0.988 0.518 1.000 0.400 CB 1.182 11 residues pruned to eliminate duplicates Z: 11 13.124 1.865 0.895 0.597 1.000 0.900 CB 1.070 11 residues pruned to eliminate duplicates Z: 95 68.351 2.268 0.858 0.569 0.957 0.691 CB 1.635 95 residues pruned to eliminate duplicates Z: 18 26.461 2.156 0.462 0.865 1.000 0.824 CA 1.492 18 residues pruned to eliminate duplicates Z: 50 41.023 2.217 0.712 0.553 0.959 0.612 CA 1.529 50 residues pruned to eliminate duplicates Z: 41 41.204 2.340 0.641 0.605 0.925 0.725 CB 1.659 41 residues pruned to eliminate duplicates Z: 48 37.761 2.220 0.686 0.545 0.894 0.532 CB 1.576 48 residues pruned to eliminate duplicates Z: 18 12.717 1.894 0.310 0.514 0.882 0.706 CB 1.389 18 residues pruned to eliminate duplicates Z: 24 22.687 2.036 0.724 0.515 0.913 0.565 CA 1.454 24 residues pruned to eliminate duplicates Z: 13 14.844 1.921 1.131 0.439 0.833 0.583 CB 1.337 13 residues pruned to eliminate duplicates Z: 9 5.886 1.806 0.551 0.407 0.625 0.500 CB 1.310 9 residues pruned to eliminate duplicates Z: 11 9.101 1.918 0.895 0.460 0.700 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 28 29.851 2.159 0.781 0.602 0.889 0.593 CA 1.526 28 residues pruned to eliminate duplicates Z: 42 45.058 2.331 0.747 0.568 0.927 0.659 CB 1.746 42 residues pruned to eliminate duplicates Z: 35 37.596 2.309 0.743 0.567 0.941 0.735 CB 1.596 35 residues pruned to eliminate duplicates Z: 13 17.556 2.076 0.497 0.595 0.917 0.750 CB 1.624 13 residues pruned to eliminate duplicates Z: 16 13.949 1.934 0.521 0.520 0.867 0.533 CB 1.385 16 residues pruned to eliminate duplicates Z: 34 19.452 1.784 0.651 0.519 0.909 0.545 CB 1.241 34 residues pruned to eliminate duplicates Z: 94 49.337 2.124 0.685 0.556 0.946 0.688 CB 1.431 94 residues pruned to eliminate duplicates Z: 9 10.841 1.917 0.827 0.707 0.875 0.750 CB 1.036 9 residues pruned to eliminate duplicates Z: 15 19.966 2.063 0.810 0.480 1.000 0.571 CA 1.458 15 residues pruned to eliminate duplicates Z: 58 49.477 2.287 0.736 0.540 0.930 0.596 CB 1.708 58 residues pruned to eliminate duplicates Z: 19 14.600 2.034 0.439 0.454 0.833 0.500 CB 1.479 19 residues pruned to eliminate duplicates Z: 11 15.414 1.784 0.847 0.817 1.000 0.900 CB 1.122 10 residues pruned to eliminate duplicates Z: 16 28.027 2.224 0.456 0.930 1.000 0.867 CB 1.564 16 residues pruned to eliminate duplicates Z: 15 21.426 1.806 0.988 0.849 1.000 0.643 CB 1.183 15 residues pruned to eliminate duplicates Z: 34 51.986 2.320 1.104 0.603 0.970 0.697 CB 1.732 34 residues pruned to eliminate duplicates Z: 44 32.186 1.938 0.959 0.554 0.930 0.698 CB 1.319 80 residues pruned to eliminate duplicates Z: 12 16.202 1.780 0.645 0.916 1.000 0.818 CB 1.179 12 residues pruned to eliminate duplicates Z: 65 48.922 2.228 0.778 0.511 0.906 0.656 CA 1.685 65 residues pruned to eliminate duplicates Z: 26 17.623 2.006 0.696 0.422 0.840 0.600 CB 1.338 26 residues pruned to eliminate duplicates Z: 59 26.227 1.901 0.702 0.451 0.862 0.586 CB 1.299 59 residues pruned to eliminate duplicates Z: 6 4.931 1.665 -0.046 0.813 1.000 0.800 N 1.058 Z: 9 17.564 2.102 0.869 0.591 1.000 0.875 CB 1.448 9 residues pruned to eliminate duplicates Z: 26 23.675 2.107 0.724 0.425 0.880 0.720 CB 1.602 26 residues pruned to eliminate duplicates Z: 14 23.164 1.887 0.826 0.859 1.000 0.846 CB 1.371 14 residues pruned to eliminate duplicates Z: 43 37.822 2.214 0.799 0.497 0.905 0.500 CA 1.624 43 residues pruned to eliminate duplicates Z: 8 3.817 1.594 0.119 0.411 0.857 0.429 CB 1.036 8 residues pruned to eliminate duplicates Z: 45 40.276 2.227 0.736 0.575 0.909 0.523 CA 1.607 45 residues pruned to eliminate duplicates Z: 29 33.612 2.255 0.656 0.588 0.929 0.714 CA 1.683 29 residues pruned to eliminate duplicates Z: 6 9.285 1.680 0.607 0.602 1.000 1.000 CA 1.396 6 residues pruned to eliminate duplicates Z: 24 22.009 2.100 0.833 0.470 0.913 0.783 CB 1.346 24 residues pruned to eliminate duplicates Z: 25 24.147 2.094 0.811 0.556 0.917 0.667 CB 1.342 25 residues pruned to eliminate duplicates Z: 34 19.779 1.885 0.733 0.544 0.939 0.697 CB 1.075 Z: 13 29.659 2.187 0.782 0.921 1.000 0.917 CA 1.546 13 residues pruned to eliminate duplicates Z: 52 33.363 1.920 0.949 0.587 0.922 0.706 CB 1.246 86 residues pruned to eliminate duplicates Z: 6 3.940 1.566 -0.075 0.512 1.000 0.800 N 1.202 Z: 12 26.761 2.136 0.865 0.871 1.000 0.818 CB 1.478 12 residues pruned to eliminate duplicates Z: 15 21.099 2.083 0.766 0.482 0.929 0.714 C 1.681 15 residues pruned to eliminate duplicates Z: 93 58.550 2.210 0.783 0.556 0.935 0.663 CB 1.570 93 residues pruned to eliminate duplicates Z: 14 17.877 2.194 0.656 0.419 0.846 0.538 CA 1.755 14 residues pruned to eliminate duplicates Z: 11 14.765 2.171 0.647 0.541 0.800 0.700 CB 1.568 11 residues pruned to eliminate duplicates Z: 27 41.402 2.374 0.921 0.547 0.962 0.769 CB 1.767 27 residues pruned to eliminate duplicates Z: 14 27.170 2.024 0.918 0.890 1.000 0.769 CA 1.396 14 residues pruned to eliminate duplicates Z: 43 34.654 2.089 0.801 0.550 0.905 0.643 CB 1.496 43 residues pruned to eliminate duplicates Z: 40 25.997 1.943 0.819 0.546 0.821 0.641 CB 1.373 40 residues pruned to eliminate duplicates Z: 11 28.815 2.452 0.664 0.858 0.900 0.800 CB 1.828 11 residues pruned to eliminate duplicates Z: 11 23.794 2.336 0.720 0.829 0.900 0.900 CA 1.566 11 residues pruned to eliminate duplicates Z: 47 29.188 2.101 0.784 0.474 0.870 0.587 CB 1.356 47 residues pruned to eliminate duplicates Z: 7 4.460 1.340 0.721 0.870 1.000 1.000 CB 0.576 Z: 46 44.013 2.271 0.841 0.527 0.956 0.622 CB 1.600 46 residues pruned to eliminate duplicates Z: 16 34.509 2.238 0.611 0.935 1.000 0.533 CB 1.722 16 residues pruned to eliminate duplicates Z: 6 8.035 1.927 1.068 0.811 1.000 1.000 CB 0.688 6 residues pruned to eliminate duplicates Z: 19 22.443 2.223 0.950 0.382 0.889 0.667 CB 1.556 19 residues pruned to eliminate duplicates Z: 15 12.879 1.784 0.651 0.608 0.929 0.786 CB 1.136 16 residues pruned to eliminate duplicates Z: 20 20.124 2.071 0.680 0.588 0.842 0.632 CA 1.448 20 residues pruned to eliminate duplicates Z: 16 12.174 1.823 0.617 0.537 0.933 0.600 CB 1.102 Z: 64 42.598 2.215 0.650 0.505 0.921 0.635 CB 1.587 64 residues pruned to eliminate duplicates Z: 11 12.120 1.792 0.966 0.681 0.900 0.800 CB 1.023 10 residues pruned to eliminate duplicates Z: 7 4.578 1.648 0.085 0.521 1.000 0.500 CB 1.023 7 residues pruned to eliminate duplicates Z: 20 15.132 2.087 0.356 0.378 0.947 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 58 48.155 2.258 0.699 0.559 0.930 0.649 CB 1.689 58 residues pruned to eliminate duplicates Z: 34 27.995 2.106 0.626 0.504 0.939 0.727 CA 1.510 34 residues pruned to eliminate duplicates Z: 17 16.329 2.088 0.702 0.450 0.938 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 19 16.729 1.929 0.845 0.648 0.833 0.778 CA 1.158 19 residues pruned to eliminate duplicates Z: 27 35.844 2.216 0.832 0.679 0.962 0.462 CB 1.527 27 residues pruned to eliminate duplicates Z: 12 15.151 2.183 0.589 0.601 0.818 0.727 CB 1.462 12 residues pruned to eliminate duplicates Z: 14 28.738 2.234 0.501 0.926 1.000 1.000 CA 1.667 14 residues pruned to eliminate duplicates Z: 9 4.521 1.345 0.550 0.476 0.750 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 21 10.143 1.712 0.345 0.343 0.850 0.600 CB 1.375 20 residues pruned to eliminate duplicates Z: 29 28.620 1.903 0.922 0.699 1.000 0.786 CB 1.233 16 residues pruned to eliminate duplicates Z: 16 28.640 2.253 0.645 0.911 0.933 0.467 CB 1.515 16 residues pruned to eliminate duplicates Z: 60 46.612 2.262 0.674 0.510 0.949 0.593 CB 1.672 60 residues pruned to eliminate duplicates Z: 8 5.807 1.628 0.561 0.295 0.857 0.429 CB 1.268 Z: 24 24.540 2.214 0.685 0.544 0.913 0.696 CB 1.439 24 residues pruned to eliminate duplicates Z: 15 21.004 1.806 0.894 0.852 1.000 0.643 CB 1.214 15 residues pruned to eliminate duplicates Z: 22 32.241 2.200 0.892 0.494 1.000 0.619 CA 1.700 22 residues pruned to eliminate duplicates 6 1.629 1.611 -0.142 0.635 1.000 0.800 CB 0.465 ? 6 1.239 1.364 0.336 0.100 0.800 0.600 CB 0.634 ? Z: 17 35.256 2.169 0.907 0.899 1.000 0.688 CB 1.524 17 residues pruned to eliminate duplicates Z: 55 46.443 2.226 0.719 0.545 0.963 0.630 CB 1.642 145 residues pruned to eliminate duplicates Z: 7 4.775 1.786 0.448 0.546 0.833 0.667 CA 0.864 Z: 21 20.872 2.079 0.532 0.548 0.950 0.750 CB 1.472 Z: 17 13.061 1.884 0.907 0.326 0.812 0.562 CB 1.354 17 residues pruned to eliminate duplicates Z: 10 8.097 1.774 0.760 0.686 0.889 0.778 CB 0.820 Z: 83 49.348 2.187 0.725 0.499 0.902 0.610 CB 1.601 83 residues pruned to eliminate duplicates Z: 27 30.330 2.159 0.679 0.596 0.923 0.769 CA 1.622 27 residues pruned to eliminate duplicates Z: 64 45.976 2.241 0.768 0.490 0.937 0.667 CB 1.578 85 residues pruned to eliminate duplicates Z: 7 2.964 1.347 0.874 0.280 0.667 0.333 C 0.922 7 residues pruned to eliminate duplicates Z: 9 24.057 2.163 0.867 0.743 1.000 0.875 C 1.694 Z: 44 28.304 1.890 0.886 0.508 0.907 0.605 CB 1.324 73 residues pruned to eliminate duplicates Z: 11 4.593 1.443 0.518 0.286 0.900 0.500 CA 0.936 Z: 32 20.500 1.857 0.620 0.591 0.968 0.806 CB 1.159 Z: 13 18.043 1.740 1.051 0.841 1.000 0.917 CB 1.088 13 residues pruned to eliminate duplicates Z: 64 54.526 2.314 0.839 0.515 0.937 0.603 CB 1.699 64 residues pruned to eliminate duplicates Z: 24 20.227 2.151 0.695 0.475 0.913 0.652 CB 1.300 Z: 13 34.634 2.258 1.095 0.777 1.000 0.833 CA 1.655 13 residues pruned to eliminate duplicates Z: 34 27.278 2.098 0.827 0.465 0.848 0.606 CB 1.512 34 residues pruned to eliminate duplicates Z: 8 13.944 1.897 0.787 0.666 0.857 0.714 N 1.555 8 residues pruned to eliminate duplicates Z: 32 31.428 2.034 0.869 0.599 0.935 0.710 CB 1.444 32 residues pruned to eliminate duplicates Z: 20 15.960 1.885 0.569 0.411 0.947 0.579 CB 1.434 20 residues pruned to eliminate duplicates Z: 10 16.178 2.163 0.673 0.626 0.889 0.778 CB 1.490 10 residues pruned to eliminate duplicates Z: 29 20.548 2.128 0.560 0.460 0.929 0.786 CB 1.312 29 residues pruned to eliminate duplicates Z: 30 26.311 2.134 0.757 0.459 0.966 0.655 CB 1.406 30 residues pruned to eliminate duplicates Z: 58 52.413 2.307 0.807 0.583 0.912 0.737 CB 1.685 58 residues pruned to eliminate duplicates Z: 90 62.031 2.291 0.773 0.521 0.944 0.640 CB 1.680 90 residues pruned to eliminate duplicates Z: 13 10.216 1.641 0.326 0.781 1.000 0.833 CB 1.058 13 residues pruned to eliminate duplicates Z: 63 35.036 1.993 0.724 0.482 0.887 0.613 CB 1.486 64 residues pruned to eliminate duplicates Z: 18 13.836 2.040 0.683 0.367 0.882 0.529 CB 1.277 18 residues pruned to eliminate duplicates Z: 7 2.100 1.292 0.272 0.244 0.833 0.333 CB 0.842 Z: 7 3.588 1.198 0.281 0.665 1.000 0.500 CA 0.820 7 residues pruned to eliminate duplicates Z: 25 22.040 2.128 0.946 0.483 0.875 0.625 CB 1.264 25 residues pruned to eliminate duplicates Z: 6 3.945 1.594 -0.303 0.774 1.000 0.800 N 1.246 6 residues pruned to eliminate duplicates Z: 20 31.001 2.200 0.709 0.716 0.947 0.737 CA 1.643 20 residues pruned to eliminate duplicates Z: 25 22.321 2.018 0.882 0.491 0.917 0.708 CB 1.320 25 residues pruned to eliminate duplicates Z: 14 10.140 1.931 0.840 0.476 0.846 0.692 CB 0.958 14 residues pruned to eliminate duplicates Z: 13 12.013 1.652 0.631 0.578 0.917 0.833 CB 1.303 11 residues pruned to eliminate duplicates Z: 14 18.159 2.212 0.160 0.918 1.000 0.923 CB 1.384 Z: 11 14.482 2.007 0.937 0.546 0.800 0.700 CB 1.409 11 residues pruned to eliminate duplicates Z: 63 41.780 2.269 0.592 0.521 0.903 0.581 CB 1.594 86 residues pruned to eliminate duplicates Z: 16 16.425 2.056 0.542 0.492 0.933 0.733 CB 1.445 16 residues pruned to eliminate duplicates Z: 13 24.332 2.072 0.965 0.766 0.917 0.833 CB 1.487 Z: 26 22.969 2.035 0.894 0.486 0.880 0.720 CB 1.373 26 residues pruned to eliminate duplicates Z: 26 19.539 2.023 0.602 0.421 0.840 0.600 CB 1.558 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 3.094 1.470 0.063 0.606 0.857 0.714 CB 0.790 Z: 7 5.904 1.490 0.720 0.483 1.000 0.833 CB 0.957 7 residues pruned to eliminate duplicates Z: 16 21.171 2.204 0.775 0.497 0.867 0.733 CB 1.617 16 residues pruned to eliminate duplicates Z: 81 61.777 2.320 0.818 0.528 0.950 0.700 CB 1.677 81 residues pruned to eliminate duplicates Z: 35 44.156 2.331 0.803 0.588 0.971 0.765 CB 1.706 35 residues pruned to eliminate duplicates Z: 53 51.240 2.344 0.910 0.523 0.923 0.692 CB 1.681 53 residues pruned to eliminate duplicates Z: 6 3.251 1.885 0.219 0.435 0.600 0.200 CB 1.128 6 residues pruned to eliminate duplicates Z: 122 69.141 2.265 0.856 0.518 0.926 0.636 CB 1.586 122 residues pruned to eliminate duplicates Z: 47 49.498 2.304 0.969 0.524 0.935 0.674 CB 1.680 47 residues pruned to eliminate duplicates Z: 95 69.190 2.299 0.862 0.540 0.947 0.670 CB 1.694 95 residues pruned to eliminate duplicates Z: 35 40.932 2.336 0.942 0.545 0.912 0.765 CB 1.625 35 residues pruned to eliminate duplicates Z: 36 37.226 2.271 0.862 0.517 0.914 0.686 CB 1.600 36 residues pruned to eliminate duplicates Z: 106 67.357 2.256 0.853 0.518 0.943 0.676 CB 1.638 106 residues pruned to eliminate duplicates Z: 94 65.985 2.314 0.831 0.539 0.925 0.624 CB 1.680 94 residues pruned to eliminate duplicates Z: 81 60.908 2.326 0.860 0.518 0.925 0.650 CB 1.673 81 residues pruned to eliminate duplicates Z: 41 38.368 2.272 1.027 0.506 0.850 0.750 CB 1.541 41 residues pruned to eliminate duplicates Z: 94 71.711 2.337 0.859 0.544 0.946 0.699 CB 1.733 94 residues pruned to eliminate duplicates Z: 95 65.891 2.306 0.812 0.542 0.936 0.723 CB 1.668 95 residues pruned to eliminate duplicates Z: 80 65.356 2.357 0.806 0.526 0.962 0.722 CB 1.750 80 residues pruned to eliminate duplicates Z: 38 33.814 2.212 0.845 0.499 0.892 0.730 CB 1.529 38 residues pruned to eliminate duplicates Z: 36 40.834 2.290 0.891 0.541 0.943 0.714 CB 1.625 36 residues pruned to eliminate duplicates Z: 53 54.095 2.362 0.931 0.509 0.942 0.673 CB 1.730 53 residues pruned to eliminate duplicates Z: 38 40.126 2.240 0.909 0.502 0.892 0.649 CB 1.726 38 residues pruned to eliminate duplicates Z: 93 71.725 2.331 0.854 0.554 0.957 0.696 CB 1.717 93 residues pruned to eliminate duplicates Z: 38 35.116 2.246 0.754 0.524 0.919 0.757 CB 1.557 38 residues pruned to eliminate duplicates Z: 36 35.878 2.277 0.748 0.530 0.943 0.714 CB 1.569 36 residues pruned to eliminate duplicates Z: 38 35.404 2.218 0.795 0.505 0.919 0.703 CB 1.582 38 residues pruned to eliminate duplicates Z: 35 37.636 2.307 0.690 0.547 0.941 0.735 CB 1.680 35 residues pruned to eliminate duplicates Z: 67 49.665 2.273 0.789 0.494 0.894 0.591 CB 1.691 67 residues pruned to eliminate duplicates Z: 66 46.007 2.224 0.776 0.499 0.892 0.631 CB 1.622 66 residues pruned to eliminate duplicates Z: 95 69.435 2.311 0.883 0.546 0.936 0.660 CB 1.682 95 residues pruned to eliminate duplicates Z: 80 58.247 2.310 0.838 0.507 0.911 0.633 CB 1.682 80 residues pruned to eliminate duplicates Z: 81 57.640 2.326 0.771 0.520 0.913 0.663 CB 1.681 81 residues pruned to eliminate duplicates Z: 53 36.526 2.245 0.686 0.431 0.904 0.596 CB 1.590 53 residues pruned to eliminate duplicates Z: 67 51.566 2.279 0.830 0.486 0.939 0.606 CB 1.643 67 residues pruned to eliminate duplicates Z: 93 74.394 2.346 0.893 0.557 0.967 0.717 CB 1.708 93 residues pruned to eliminate duplicates Z: 7 8.561 1.878 0.948 0.340 0.833 0.500 CA 1.364 7 residues pruned to eliminate duplicates Z: 55 48.334 2.257 0.764 0.543 0.963 0.704 CB 1.645 55 residues pruned to eliminate duplicates Z: 60 49.435 2.290 0.719 0.551 0.932 0.661 CA 1.670 60 residues pruned to eliminate duplicates Z: 82 60.716 2.307 0.856 0.516 0.938 0.691 CB 1.653 82 residues pruned to eliminate duplicates Z: 65 51.070 2.263 0.715 0.517 0.953 0.703 CA 1.697 65 residues pruned to eliminate duplicates Z: 65 44.691 2.246 0.696 0.494 0.906 0.578 CB 1.628 65 residues pruned to eliminate duplicates Z: 57 45.640 2.278 0.739 0.515 0.929 0.661 CB 1.633 57 residues pruned to eliminate duplicates Z: 81 56.782 2.321 0.799 0.513 0.887 0.675 CB 1.692 81 residues pruned to eliminate duplicates Z: 81 60.683 2.325 0.797 0.528 0.925 0.738 CB 1.708 81 residues pruned to eliminate duplicates Z: 47 41.344 2.297 0.739 0.478 0.913 0.652 CB 1.710 47 residues pruned to eliminate duplicates Z: 64 46.618 2.261 0.689 0.511 0.905 0.587 CA 1.682 40 residues pruned to eliminate duplicates Z: 20 26.516 2.282 0.489 0.733 0.895 0.789 CB 1.623 20 residues pruned to eliminate duplicates Z: 95 66.493 2.303 0.817 0.540 0.936 0.670 CB 1.684 81 residues pruned to eliminate duplicates Z: 16 37.084 2.270 0.733 0.931 1.000 0.800 CB 1.701 16 residues pruned to eliminate duplicates Z: 95 65.216 2.319 0.790 0.538 0.915 0.660 CB 1.707 95 residues pruned to eliminate duplicates Z: 57 46.794 2.231 0.773 0.515 0.929 0.643 CB 1.677 57 residues pruned to eliminate duplicates Z: 71 54.787 2.259 0.813 0.536 0.943 0.671 CB 1.637 73 residues pruned to eliminate duplicates Z: 16 37.950 2.322 0.770 0.929 1.000 1.000 CA 1.670 16 residues pruned to eliminate duplicates Z: 93 62.035 2.291 0.769 0.515 0.913 0.620 CB 1.721 93 residues pruned to eliminate duplicates Z: 29 29.414 2.194 0.565 0.537 0.964 0.643 CA 1.619 29 residues pruned to eliminate duplicates Z: 95 66.141 2.299 0.866 0.548 0.904 0.702 CB 1.677 95 residues pruned to eliminate duplicates Z: 43 40.506 2.298 0.808 0.483 0.929 0.619 CA 1.649 43 residues pruned to eliminate duplicates Z: 23 31.095 2.248 0.812 0.535 0.955 0.636 CA 1.647 23 residues pruned to eliminate duplicates Z: 42 40.293 2.192 0.742 0.596 0.927 0.561 CA 1.622 42 residues pruned to eliminate duplicates Z: 43 48.530 2.183 0.940 0.585 1.000 0.690 CB 1.630 43 residues pruned to eliminate duplicates Z: 64 45.413 2.200 0.791 0.494 0.905 0.540 CB 1.614 64 residues pruned to eliminate duplicates Z: 93 76.606 2.339 0.919 0.567 0.967 0.696 CB 1.725 93 residues pruned to eliminate duplicates Z: 79 56.715 2.289 0.812 0.496 0.923 0.615 CB 1.684 79 residues pruned to eliminate duplicates Z: 51 37.651 2.116 0.871 0.502 0.880 0.520 CA 1.525 51 residues pruned to eliminate duplicates Z: 42 41.223 2.226 0.804 0.603 0.902 0.659 CA 1.610 42 residues pruned to eliminate duplicates Z: 29 35.680 2.238 0.781 0.561 0.964 0.571 CA 1.653 29 residues pruned to eliminate duplicates Z: 51 42.834 2.291 0.810 0.463 0.900 0.600 CB 1.686 51 residues pruned to eliminate duplicates Z: 90 61.348 2.292 0.851 0.513 0.899 0.629 CB 1.684 90 residues pruned to eliminate duplicates Z: 6 5.315 1.868 0.402 0.292 1.000 0.400 CA 1.146 6 residues pruned to eliminate duplicates Z: 65 49.696 2.285 0.837 0.528 0.875 0.641 CB 1.645 65 residues pruned to eliminate duplicates Z: 49 43.019 2.238 0.783 0.550 0.938 0.500 CB 1.581 49 residues pruned to eliminate duplicates Z: 38 40.576 2.208 0.786 0.618 0.973 0.622 CB 1.555 38 residues pruned to eliminate duplicates Z: 95 63.731 2.314 0.793 0.547 0.915 0.691 CB 1.654 95 residues pruned to eliminate duplicates Z: 95 62.239 2.318 0.785 0.543 0.904 0.628 CB 1.646 95 residues pruned to eliminate duplicates Z: 94 72.953 2.306 0.945 0.565 0.946 0.785 CB 1.673 94 residues pruned to eliminate duplicates Z: 15 29.745 2.070 0.953 0.847 1.000 0.786 CA 1.460 14 residues pruned to eliminate duplicates Z: 12 29.529 2.279 0.880 0.850 1.000 0.909 CA 1.540 12 residues pruned to eliminate duplicates Z: 40 38.684 2.264 0.705 0.610 0.897 0.564 CA 1.611 40 residues pruned to eliminate duplicates Z: 24 22.093 2.104 0.684 0.511 0.870 0.609 CB 1.480 24 residues pruned to eliminate duplicates Z: 46 43.550 2.297 0.654 0.576 0.956 0.667 CA 1.661 46 residues pruned to eliminate duplicates Z: 15 24.139 2.109 0.855 0.728 0.857 0.643 CA 1.567 15 residues pruned to eliminate duplicates Z: 81 54.052 2.254 0.828 0.499 0.913 0.725 CB 1.609 83 residues pruned to eliminate duplicates Z: 14 21.464 1.901 0.962 0.706 1.000 0.769 CA 1.323 14 residues pruned to eliminate duplicates Z: 30 29.108 2.196 0.657 0.528 0.897 0.690 CB 1.612 30 residues pruned to eliminate duplicates Z: 110 66.212 2.299 0.743 0.530 0.945 0.688 CB 1.625 110 residues pruned to eliminate duplicates Z: 60 41.197 2.176 0.799 0.509 0.932 0.678 CB 1.456 60 residues pruned to eliminate duplicates Z: 28 18.859 2.048 0.778 0.458 0.815 0.778 CB 1.277 28 residues pruned to eliminate duplicates Z: 6 6.284 1.930 0.371 0.417 1.000 0.800 CA 1.159 6 residues pruned to eliminate duplicates Z: 29 24.784 2.187 0.756 0.486 0.929 0.679 CB 1.333 30 residues pruned to eliminate duplicates Z: 6 8.037 1.654 0.613 0.458 1.000 1.000 CA 1.407 6 residues pruned to eliminate duplicates Z: 29 23.299 2.169 0.879 0.495 0.821 0.607 CB 1.321 30 residues pruned to eliminate duplicates 6 1.839 1.508 0.386 0.175 0.600 0.600 CB 0.971 ? Z: 7 8.847 1.532 1.124 0.505 1.000 0.667 C 1.105 7 residues pruned to eliminate duplicates Z: 27 20.012 2.088 0.827 0.445 0.885 0.654 CB 1.231 27 residues pruned to eliminate duplicates Z: 40 30.165 2.148 0.772 0.502 0.897 0.667 CB 1.412 40 residues pruned to eliminate duplicates Z: 92 50.178 2.250 0.750 0.470 0.901 0.626 CB 1.528 105 residues pruned to eliminate duplicates Z: 32 22.158 2.136 0.712 0.423 0.871 0.548 CB 1.354 32 residues pruned to eliminate duplicates Z: 6 2.890 1.550 0.424 0.242 0.800 0.400 C 0.987 6 residues pruned to eliminate duplicates Z: 8 10.035 2.063 1.074 0.412 1.000 0.429 CB 0.972 8 residues pruned to eliminate duplicates Z: 29 25.513 2.173 1.012 0.462 0.821 0.679 CB 1.396 29 residues pruned to eliminate duplicates Z: 56 25.504 2.046 0.620 0.440 0.836 0.636 CB 1.319 65 residues pruned to eliminate duplicates Z: 6 5.002 1.645 0.193 0.432 1.000 0.200 N 1.223 6 residues pruned to eliminate duplicates Z: 50 33.814 2.121 0.678 0.491 0.898 0.633 CB 1.526 50 residues pruned to eliminate duplicates Z: 86 49.402 2.217 0.639 0.533 0.894 0.682 CB 1.597 86 residues pruned to eliminate duplicates Z: 80 50.547 2.194 0.686 0.521 0.937 0.696 CB 1.608 80 residues pruned to eliminate duplicates Z: 35 26.436 1.987 0.654 0.496 0.971 0.676 CB 1.428 35 residues pruned to eliminate duplicates Z: 95 57.826 2.204 0.717 0.542 0.936 0.606 CB 1.616 95 residues pruned to eliminate duplicates Z: 37 28.811 2.032 0.766 0.534 0.917 0.694 CB 1.411 37 residues pruned to eliminate duplicates Z: 80 49.246 2.192 0.633 0.516 0.962 0.684 CB 1.582 80 residues pruned to eliminate duplicates Z: 50 36.853 2.079 0.779 0.515 0.939 0.673 CB 1.494 50 residues pruned to eliminate duplicates Z: 98 50.230 2.195 0.624 0.520 0.897 0.639 CB 1.564 98 residues pruned to eliminate duplicates Z: 80 49.120 2.198 0.691 0.518 0.924 0.620 CB 1.580 80 residues pruned to eliminate duplicates Z: 95 55.241 2.199 0.743 0.547 0.904 0.649 CB 1.570 95 residues pruned to eliminate duplicates Z: 34 30.716 2.001 0.730 0.543 0.970 0.788 CB 1.526 34 residues pruned to eliminate duplicates Z: 93 57.104 2.198 0.745 0.541 0.924 0.663 CB 1.614 93 residues pruned to eliminate duplicates Z: 35 29.772 1.977 0.754 0.532 0.941 0.676 CB 1.516 35 residues pruned to eliminate duplicates Z: 93 56.709 2.213 0.793 0.551 0.891 0.728 CB 1.590 93 residues pruned to eliminate duplicates Z: 94 55.816 2.206 0.730 0.547 0.914 0.624 CB 1.585 94 residues pruned to eliminate duplicates Z: 33 26.760 2.042 0.738 0.541 0.875 0.625 CB 1.464 33 residues pruned to eliminate duplicates Z: 43 41.736 2.168 0.866 0.563 0.952 0.667 CB 1.572 43 residues pruned to eliminate duplicates Z: 52 40.974 2.118 0.843 0.520 0.902 0.647 CB 1.599 52 residues pruned to eliminate duplicates Z: 93 56.161 2.218 0.697 0.552 0.935 0.641 CB 1.582 93 residues pruned to eliminate duplicates Z: 33 31.451 2.044 0.833 0.565 0.938 0.719 CB 1.486 33 residues pruned to eliminate duplicates Z: 88 51.262 2.208 0.760 0.527 0.874 0.644 CB 1.576 88 residues pruned to eliminate duplicates Z: 93 56.598 2.225 0.755 0.551 0.902 0.641 CB 1.594 93 residues pruned to eliminate duplicates Z: 61 44.937 2.301 0.628 0.537 0.900 0.617 CB 1.658 61 residues pruned to eliminate duplicates Z: 52 40.604 2.113 0.820 0.497 0.941 0.569 CB 1.576 52 residues pruned to eliminate duplicates Z: 91 56.277 2.246 0.771 0.561 0.889 0.644 CB 1.581 91 residues pruned to eliminate duplicates Z: 61 46.443 2.266 0.705 0.550 0.883 0.633 CB 1.674 61 residues pruned to eliminate duplicates Z: 65 43.288 2.258 0.620 0.527 0.906 0.594 CB 1.589 65 residues pruned to eliminate duplicates Z: 61 49.103 2.275 0.663 0.568 0.950 0.667 CB 1.652 61 residues pruned to eliminate duplicates Z: 93 59.161 2.203 0.817 0.553 0.924 0.609 CB 1.585 93 residues pruned to eliminate duplicates Z: 13 23.562 2.378 0.769 0.459 0.917 0.750 CB 1.839 13 residues pruned to eliminate duplicates Z: 62 41.407 2.251 0.674 0.553 0.885 0.590 CB 1.510 9 residues pruned to eliminate duplicates Z: 6 4.820 1.743 0.346 0.306 1.000 0.400 CB 1.140 6 residues pruned to eliminate duplicates Z: 25 26.036 2.092 0.903 0.433 0.917 0.583 CB 1.562 88 residues pruned to eliminate duplicates Z: 42 38.609 2.274 0.703 0.495 0.951 0.683 CB 1.645 42 residues pruned to eliminate duplicates Z: 48 47.854 2.328 0.714 0.599 0.957 0.617 CB 1.663 Z: 20 22.696 2.038 0.386 0.801 0.947 0.684 CB 1.496 20 residues pruned to eliminate duplicates Z: 92 60.310 2.244 0.789 0.559 0.934 0.637 CB 1.591 140 residues pruned to eliminate duplicates Z: 93 58.424 2.200 0.796 0.566 0.924 0.674 CB 1.566 93 residues pruned to eliminate duplicates Z: 49 38.245 2.263 0.649 0.505 0.896 0.604 CB 1.644 49 residues pruned to eliminate duplicates Z: 57 50.108 2.295 0.749 0.543 0.946 0.625 CB 1.690 57 residues pruned to eliminate duplicates Z: 60 47.464 2.296 0.709 0.538 0.898 0.644 CB 1.688 60 residues pruned to eliminate duplicates Z: 61 48.415 2.283 0.732 0.542 0.933 0.633 CB 1.625 61 residues pruned to eliminate duplicates Z: 57 44.069 2.290 0.725 0.527 0.911 0.625 CB 1.593 57 residues pruned to eliminate duplicates Z: 48 37.610 2.208 0.710 0.480 0.915 0.532 CB 1.621 48 residues pruned to eliminate duplicates Z: 48 44.547 2.322 0.834 0.517 0.915 0.596 CB 1.641 48 residues pruned to eliminate duplicates Z: 93 56.554 2.227 0.797 0.539 0.913 0.609 CB 1.553 93 residues pruned to eliminate duplicates Z: 95 61.576 2.221 0.863 0.553 0.936 0.660 CB 1.556 95 residues pruned to eliminate duplicates Z: 93 61.848 2.237 0.878 0.559 0.913 0.652 CB 1.587 93 residues pruned to eliminate duplicates Z: 61 50.862 2.300 0.798 0.558 0.933 0.583 CB 1.608 61 residues pruned to eliminate duplicates Z: 61 55.687 2.317 0.887 0.567 0.933 0.633 CB 1.651 61 residues pruned to eliminate duplicates Z: 61 51.378 2.282 0.823 0.567 0.917 0.650 CB 1.631 61 residues pruned to eliminate duplicates Z: 93 60.524 2.218 0.797 0.557 0.946 0.685 CB 1.583 93 residues pruned to eliminate duplicates Z: 46 41.892 2.318 0.752 0.587 0.911 0.556 CB 1.552 Z: 49 38.384 2.252 0.798 0.556 0.854 0.542 CB 1.517 49 residues pruned to eliminate duplicates Z: 48 39.583 2.261 0.708 0.494 0.915 0.532 CB 1.645 94 residues pruned to eliminate duplicates Z: 59 55.985 2.334 0.828 0.577 0.966 0.655 CB 1.658 59 residues pruned to eliminate duplicates Z: 50 38.015 2.222 0.692 0.549 0.898 0.612 CB 1.534 Z: 7 8.004 1.874 0.642 0.461 0.833 0.833 CA 1.326 7 residues pruned to eliminate duplicates Z: 48 41.380 2.254 0.799 0.504 0.936 0.681 CB 1.583 98 residues pruned to eliminate duplicates Z: 61 54.658 2.287 0.876 0.570 0.933 0.633 CB 1.648 61 residues pruned to eliminate duplicates Z: 65 52.072 2.293 0.866 0.533 0.938 0.594 CB 1.571 65 residues pruned to eliminate duplicates Z: 64 43.548 2.171 0.816 0.512 0.889 0.556 CB 1.548 64 residues pruned to eliminate duplicates Z: 60 52.394 2.326 0.772 0.566 0.949 0.627 CB 1.635 60 residues pruned to eliminate duplicates Z: 77 54.201 2.303 0.748 0.545 0.921 0.671 CB 1.605 77 residues pruned to eliminate duplicates Z: 49 47.598 2.327 0.767 0.593 0.958 0.604 CB 1.595 Z: 15 28.761 2.107 0.743 0.862 1.000 0.857 CB 1.537 15 residues pruned to eliminate duplicates Z: 60 47.065 2.294 0.755 0.532 0.881 0.576 CB 1.674 109 residues pruned to eliminate duplicates Z: 61 51.830 2.317 0.782 0.561 0.933 0.633 CB 1.637 61 residues pruned to eliminate duplicates Z: 61 55.979 2.319 0.860 0.568 0.950 0.617 CB 1.652 61 residues pruned to eliminate duplicates Z: 61 48.481 2.280 0.803 0.556 0.900 0.683 CB 1.601 61 residues pruned to eliminate duplicates Z: 60 53.233 2.312 0.763 0.573 0.949 0.644 CB 1.669 60 residues pruned to eliminate duplicates Z: 37 38.584 2.341 0.808 0.615 0.861 0.639 CB 1.582 Z: 11 19.208 2.156 0.745 0.714 0.800 0.800 CB 1.662 11 residues pruned to eliminate duplicates Z: 85 52.257 2.234 0.676 0.546 0.952 0.667 CB 1.529 44 residues pruned to eliminate duplicates Z: 6 3.353 1.770 0.083 0.419 0.800 0.200 CB 1.064 6 residues pruned to eliminate duplicates Z: 42 42.142 2.364 0.571 0.577 0.976 0.659 CB 1.686 42 residues pruned to eliminate duplicates Z: 44 39.373 2.292 0.590 0.571 0.930 0.628 CB 1.653 44 residues pruned to eliminate duplicates Z: 46 40.594 2.290 0.644 0.563 0.933 0.556 CB 1.620 46 residues pruned to eliminate duplicates Z: 43 41.954 2.334 0.603 0.584 0.952 0.619 CB 1.676 43 residues pruned to eliminate duplicates Z: 93 51.123 2.134 0.776 0.528 0.924 0.641 CB 1.482 93 residues pruned to eliminate duplicates Z: 48 40.436 2.312 0.605 0.556 0.957 0.638 CB 1.572 48 residues pruned to eliminate duplicates Z: 44 41.777 2.307 0.688 0.581 0.930 0.674 CB 1.628 44 residues pruned to eliminate duplicates Z: 47 39.227 2.262 0.691 0.546 0.935 0.630 CB 1.547 47 residues pruned to eliminate duplicates Z: 47 37.248 2.262 0.577 0.529 0.935 0.565 CB 1.600 47 residues pruned to eliminate duplicates Z: 43 43.847 2.357 0.617 0.588 0.976 0.595 CB 1.672 43 residues pruned to eliminate duplicates Z: 46 42.541 2.243 0.680 0.562 0.978 0.644 CB 1.621 46 residues pruned to eliminate duplicates Z: 46 36.686 2.271 0.606 0.537 0.889 0.578 CB 1.627 46 residues pruned to eliminate duplicates Z: 46 38.840 2.273 0.586 0.537 0.933 0.578 CB 1.659 46 residues pruned to eliminate duplicates Z: 48 40.500 2.251 0.669 0.517 0.979 0.638 CB 1.580 48 residues pruned to eliminate duplicates Z: 44 40.635 2.317 0.652 0.578 0.907 0.558 CB 1.656 44 residues pruned to eliminate duplicates Z: 39 41.993 2.378 0.588 0.589 0.947 0.737 CB 1.748 39 residues pruned to eliminate duplicates Z: 43 42.018 2.344 0.637 0.587 0.929 0.643 CB 1.673 43 residues pruned to eliminate duplicates Z: 62 45.879 2.259 0.704 0.536 0.918 0.639 CB 1.605 62 residues pruned to eliminate duplicates Z: 43 40.125 2.310 0.649 0.566 0.929 0.548 CB 1.642 43 residues pruned to eliminate duplicates Z: 42 42.953 2.375 0.584 0.614 0.951 0.756 CB 1.683 42 residues pruned to eliminate duplicates Z: 64 49.571 2.207 0.819 0.538 0.952 0.683 CB 1.574 64 residues pruned to eliminate duplicates Z: 61 45.803 2.258 0.739 0.541 0.917 0.583 CB 1.578 61 residues pruned to eliminate duplicates Z: 51 41.959 2.239 0.758 0.514 0.960 0.540 CB 1.548 51 residues pruned to eliminate duplicates Z: 65 46.197 2.228 0.812 0.510 0.922 0.688 CB 1.537 65 residues pruned to eliminate duplicates Z: 43 44.130 2.348 0.689 0.594 0.952 0.619 CB 1.648 43 residues pruned to eliminate duplicates Z: 45 40.167 2.301 0.729 0.574 0.864 0.636 CB 1.641 45 residues pruned to eliminate duplicates Z: 45 39.233 2.297 0.624 0.575 0.909 0.614 CB 1.622 45 residues pruned to eliminate duplicates Z: 94 51.760 2.147 0.803 0.553 0.914 0.602 CB 1.440 94 residues pruned to eliminate duplicates Z: 64 47.027 2.239 0.809 0.525 0.905 0.651 CB 1.577 64 residues pruned to eliminate duplicates Z: 44 42.783 2.332 0.691 0.584 0.930 0.651 CB 1.641 44 residues pruned to eliminate duplicates Z: 66 50.832 2.223 0.899 0.518 0.938 0.615 CB 1.563 66 residues pruned to eliminate duplicates Z: 53 45.784 2.299 0.732 0.566 0.942 0.692 CB 1.587 53 residues pruned to eliminate duplicates Z: 91 54.072 2.201 0.851 0.520 0.889 0.589 CB 1.542 91 residues pruned to eliminate duplicates Z: 44 38.613 2.260 0.694 0.570 0.907 0.628 CB 1.584 44 residues pruned to eliminate duplicates Z: 15 25.786 2.293 0.777 0.749 0.929 0.786 CB 1.459 15 residues pruned to eliminate duplicates Z: 45 41.106 2.265 0.702 0.563 0.955 0.591 CB 1.584 45 residues pruned to eliminate duplicates Z: 60 48.909 2.271 0.803 0.547 0.915 0.678 CB 1.623 60 residues pruned to eliminate duplicates Z: 48 41.018 2.275 0.695 0.533 0.936 0.532 CB 1.605 48 residues pruned to eliminate duplicates Z: 86 52.808 2.212 0.847 0.506 0.894 0.635 CB 1.558 86 residues pruned to eliminate duplicates Z: 51 47.201 2.283 0.763 0.592 0.920 0.660 CB 1.652 51 residues pruned to eliminate duplicates Z: 53 43.457 2.251 0.710 0.570 0.904 0.577 CB 1.619 53 residues pruned to eliminate duplicates Z: 71 50.428 2.236 0.758 0.520 0.929 0.543 CB 1.618 71 residues pruned to eliminate duplicates Z: 26 25.235 2.133 0.808 0.430 0.920 0.760 CB 1.530 26 residues pruned to eliminate duplicates Z: 131 56.980 2.128 0.775 0.500 0.915 0.646 CB 1.446 131 residues pruned to eliminate duplicates Z: 29 27.786 2.192 0.807 0.503 0.893 0.714 CB 1.480 29 residues pruned to eliminate duplicates Z: 29 29.893 2.235 0.874 0.480 0.893 0.571 CB 1.541 29 residues pruned to eliminate duplicates Z: 27 20.824 2.065 0.878 0.417 0.808 0.577 CB 1.423 27 residues pruned to eliminate duplicates Z: 25 21.968 2.130 0.818 0.461 0.833 0.625 CB 1.446 25 residues pruned to eliminate duplicates Z: 31 26.299 2.146 0.833 0.447 0.867 0.600 CB 1.487 31 residues pruned to eliminate duplicates Z: 24 22.177 2.166 0.697 0.473 0.913 0.783 CB 1.416 24 residues pruned to eliminate duplicates Z: 29 31.325 2.206 0.926 0.482 0.929 0.643 CB 1.528 29 residues pruned to eliminate duplicates Z: 68 45.427 2.209 0.801 0.458 0.940 0.582 CB 1.549 68 residues pruned to eliminate duplicates Z: 16 18.548 2.188 0.763 0.436 0.867 0.667 CB 1.531 16 residues pruned to eliminate duplicates Z: 20 14.804 2.103 0.753 0.376 0.789 0.526 CB 1.333 20 residues pruned to eliminate duplicates Z: 31 18.207 2.046 0.748 0.320 0.833 0.467 CB 1.360 31 residues pruned to eliminate duplicates Z: 14 14.302 2.055 0.741 0.449 0.846 0.692 CB 1.380 14 residues pruned to eliminate duplicates Z: 70 52.260 2.278 0.799 0.541 0.928 0.652 CB 1.589 70 residues pruned to eliminate duplicates Z: 29 25.658 2.198 0.940 0.410 0.821 0.607 CB 1.522 29 residues pruned to eliminate duplicates Z: 68 46.152 2.208 0.812 0.513 0.896 0.642 CB 1.553 68 residues pruned to eliminate duplicates Z: 31 27.097 2.142 0.990 0.495 0.900 0.633 CB 1.296 31 residues pruned to eliminate duplicates Z: 27 28.420 2.274 0.879 0.534 0.885 0.692 CB 1.426 27 residues pruned to eliminate duplicates Z: 13 14.870 2.155 0.956 0.385 0.833 0.667 CB 1.381 13 residues pruned to eliminate duplicates Z: 117 56.599 2.194 0.739 0.503 0.905 0.672 CB 1.517 154 residues pruned to eliminate duplicates Z: 10 14.591 2.008 1.137 0.313 0.889 0.333 N 1.569 10 residues pruned to eliminate duplicates Z: 29 28.926 2.205 0.939 0.466 0.964 0.607 CB 1.372 29 residues pruned to eliminate duplicates Z: 19 19.326 2.157 1.044 0.382 0.889 0.611 CB 1.317 19 residues pruned to eliminate duplicates Z: 22 23.881 2.123 0.715 0.496 0.857 0.714 CB 1.676 22 residues pruned to eliminate duplicates Z: 6 4.383 1.793 0.258 0.394 0.800 0.600 CB 1.214 Z: 15 21.062 2.036 0.660 0.571 1.000 0.786 CB 1.555 21 residues pruned to eliminate duplicates Z: 14 19.736 2.145 0.462 0.579 1.000 0.846 CB 1.618 14 residues pruned to eliminate duplicates Z: 15 15.770 2.042 0.323 0.555 1.000 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 15 18.400 2.054 0.559 0.572 0.929 0.786 CB 1.544 15 residues pruned to eliminate duplicates Z: 16 16.658 2.007 0.555 0.591 0.933 0.867 CB 1.354 16 residues pruned to eliminate duplicates Z: 42 30.676 2.125 0.783 0.488 0.902 0.683 CB 1.419 42 residues pruned to eliminate duplicates Z: 36 21.367 1.951 0.727 0.429 0.943 0.657 CB 1.224 36 residues pruned to eliminate duplicates Z: 16 18.169 1.965 0.561 0.587 1.000 0.800 CB 1.406 16 residues pruned to eliminate duplicates Z: 43 30.933 2.156 0.760 0.495 0.905 0.714 CB 1.398 43 residues pruned to eliminate duplicates Z: 22 17.319 1.878 0.654 0.436 0.857 0.667 CB 1.516 22 residues pruned to eliminate duplicates Z: 38 25.426 2.042 0.716 0.479 0.865 0.730 CB 1.409 70 residues pruned to eliminate duplicates Z: 61 47.068 2.185 0.869 0.532 0.917 0.600 CB 1.573 61 residues pruned to eliminate duplicates Z: 58 45.294 2.173 0.862 0.538 0.895 0.632 CB 1.596 58 residues pruned to eliminate duplicates Z: 11 20.431 2.117 0.885 0.576 1.000 0.600 CA 1.504 11 residues pruned to eliminate duplicates Z: 26 18.694 2.104 0.810 0.452 0.840 0.680 CB 1.228 26 residues pruned to eliminate duplicates Z: 26 27.519 2.197 1.166 0.504 0.840 0.680 CB 1.371 26 residues pruned to eliminate duplicates Z: 26 22.505 1.998 1.086 0.497 0.960 0.760 CB 1.128 26 residues pruned to eliminate duplicates Z: 22 14.759 1.824 0.996 0.354 0.810 0.429 CB 1.280 7 residues pruned to eliminate duplicates Z: 6 5.765 1.925 0.345 0.210 1.000 0.400 CA 1.402 6 residues pruned to eliminate duplicates Z: 23 26.626 2.171 1.115 0.521 0.909 0.727 CB 1.332 23 residues pruned to eliminate duplicates Z: 28 32.426 2.201 1.087 0.553 0.926 0.741 CB 1.394 50 residues pruned to eliminate duplicates Z: 25 13.310 1.957 0.623 0.351 0.792 0.333 CB 1.269 25 residues pruned to eliminate duplicates Z: 20 13.075 2.015 0.866 0.367 0.737 0.421 CB 1.250 Z: 6 5.106 1.661 0.706 0.447 1.000 0.600 CB 0.851 6 residues pruned to eliminate duplicates Z: 9 16.718 2.036 0.963 0.438 1.000 0.375 CB 1.577 11 residues pruned to eliminate duplicates Z: 6 4.180 1.913 0.280 0.299 0.800 0.600 CB 1.194 Z: 6 6.657 1.895 0.641 0.384 0.800 0.600 CA 1.354 6 residues pruned to eliminate duplicates Z: 14 14.119 2.154 0.465 0.503 0.923 0.692 CB 1.340 20 residues pruned to eliminate duplicates Z: 21 19.328 2.042 0.746 0.466 0.800 0.650 CB 1.568 18 residues pruned to eliminate duplicates Z: 6 8.101 1.765 0.714 0.350 1.000 0.600 C 1.409 6 residues pruned to eliminate duplicates Z: 13 22.207 2.294 0.716 0.645 0.917 0.750 CB 1.551 13 residues pruned to eliminate duplicates 315 residues left after pruning, divided into chains as follows: A: 8 B: 11 C: 6 D: 34 E: 229 F: 14 G: 13 CC for partial structure against native data = 30.69 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.465, Connect. = 0.719 for dens.mod. cycle 1 = 0.300, Contrast = 0.541, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.636, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.644, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.654, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.659, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.665, Connect. = 0.793 for dens.mod. cycle 7 = 0.300, Contrast = 0.668, Connect. = 0.795 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.796 for dens.mod. cycle 9 = 0.300, Contrast = 0.673, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2511 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 517 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.553 2.114 0.683 0.821 1.000 0.692 CB 1.567 B: 10 28.796 2.426 0.589 0.930 1.000 0.889 CB 1.742 10 residues pruned to eliminate duplicates C: 17 33.610 2.252 0.519 0.932 1.000 0.875 CB 1.715 D: 12 28.434 2.304 0.727 0.940 1.000 0.818 CA 1.496 E: 15 39.236 2.453 0.689 0.914 1.000 0.714 CB 1.790 17 residues pruned to eliminate duplicates F: 15 39.220 2.433 0.660 0.921 1.000 0.929 CB 1.827 15 residues pruned to eliminate duplicates G: 10 29.835 2.422 0.695 0.925 1.000 0.889 CB 1.700 10 residues pruned to eliminate duplicates H: 14 32.364 2.138 0.903 0.843 1.000 0.769 CA 1.643 12 residues pruned to eliminate duplicates I: 10 30.133 2.417 0.742 0.921 1.000 1.000 CB 1.678 11 residues pruned to eliminate duplicates J: 14 19.479 2.162 0.760 0.574 0.923 0.692 CB 1.432 K: 16 34.984 2.097 1.202 0.831 0.933 0.667 CB 1.575 L: 10 30.266 2.446 0.746 0.873 1.000 0.778 CB 1.720 10 residues pruned to eliminate duplicates M: 14 22.748 2.166 0.588 0.841 0.923 0.846 CA 1.481 14 residues pruned to eliminate duplicates N: 16 37.041 2.310 0.601 0.918 1.000 0.933 CB 1.823 15 residues pruned to eliminate duplicates O: 96 71.915 2.301 0.824 0.544 0.968 0.684 CA 1.738 31 residues pruned to eliminate duplicates P: 13 32.824 2.280 0.906 0.878 1.000 0.833 CA 1.583 13 residues pruned to eliminate duplicates Q: 17 31.506 2.203 0.788 0.906 0.938 0.875 CA 1.517 17 residues pruned to eliminate duplicates R: 95 70.274 2.327 0.763 0.565 0.936 0.660 CB 1.773 95 residues pruned to eliminate duplicates S: 11 21.160 2.328 0.642 0.682 0.900 0.800 CB 1.645 11 residues pruned to eliminate duplicates T: 48 52.209 2.338 0.769 0.563 0.957 0.681 CB 1.809 47 residues pruned to eliminate duplicates U: 12 21.199 2.344 0.195 0.845 1.000 0.909 CB 1.695 12 residues pruned to eliminate duplicates V: 30 28.501 2.145 0.976 0.475 0.828 0.483 CB 1.548 30 residues pruned to eliminate duplicates W: 17 35.254 2.346 0.836 0.864 0.875 0.562 CA 1.715 16 residues pruned to eliminate duplicates X: 14 17.923 2.196 0.649 0.588 0.846 0.692 CB 1.491 14 residues pruned to eliminate duplicates Y: 17 28.682 2.249 0.698 0.894 0.938 0.750 CA 1.437 17 residues pruned to eliminate duplicates Z: 15 22.994 2.122 0.426 0.839 0.929 0.786 CB 1.634 15 residues pruned to eliminate duplicates Z: 15 34.068 2.136 0.812 0.844 1.000 0.786 CB 1.751 15 residues pruned to eliminate duplicates Z: 95 71.212 2.338 0.816 0.540 0.947 0.681 CB 1.756 95 residues pruned to eliminate duplicates Z: 94 65.646 2.342 0.713 0.542 0.925 0.645 CB 1.760 94 residues pruned to eliminate duplicates Z: 10 24.878 2.297 0.912 0.700 0.889 0.889 CB 1.770 14 residues pruned to eliminate duplicates Z: 18 30.432 2.302 0.603 0.828 1.000 0.765 CA 1.506 18 residues pruned to eliminate duplicates Z: 15 18.131 1.972 0.657 0.569 0.857 0.643 CB 1.619 Z: 14 15.575 2.093 0.675 0.474 0.769 0.692 CB 1.644 14 residues pruned to eliminate duplicates Z: 16 38.878 2.335 0.783 0.954 1.000 0.800 CA 1.659 16 residues pruned to eliminate duplicates Z: 17 33.703 2.256 0.601 0.896 0.938 0.750 CB 1.783 17 residues pruned to eliminate duplicates Z: 17 31.307 2.257 0.529 0.907 0.938 0.750 CA 1.718 17 residues pruned to eliminate duplicates Z: 95 67.558 2.333 0.743 0.555 0.915 0.670 CB 1.776 95 residues pruned to eliminate duplicates Z: 18 19.312 2.248 0.702 0.489 0.882 0.706 CB 1.402 Z: 17 23.682 2.298 0.830 0.514 0.938 0.750 CB 1.482 18 residues pruned to eliminate duplicates Z: 14 19.054 2.029 0.558 0.562 1.000 0.769 CA 1.574 15 residues pruned to eliminate duplicates Z: 82 43.752 2.175 0.689 0.476 0.926 0.654 CB 1.464 45 residues pruned to eliminate duplicates Z: 13 15.684 2.102 0.530 0.503 0.917 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 115 50.370 2.091 0.716 0.539 0.921 0.649 CB 1.374 17 residues pruned to eliminate duplicates Z: 63 47.624 2.244 0.676 0.531 0.952 0.629 CB 1.639 44 residues pruned to eliminate duplicates Z: 35 47.434 2.363 0.808 0.589 0.971 0.794 CB 1.802 35 residues pruned to eliminate duplicates Z: 17 35.064 2.268 0.799 0.880 0.875 0.562 CA 1.779 17 residues pruned to eliminate duplicates Z: 29 37.060 2.070 0.878 0.641 1.000 0.714 CB 1.579 29 residues pruned to eliminate duplicates Z: 25 20.694 2.096 0.838 0.323 0.875 0.458 CB 1.524 25 residues pruned to eliminate duplicates Z: 15 35.580 2.131 0.849 0.867 1.000 0.929 CA 1.764 15 residues pruned to eliminate duplicates Z: 14 30.484 2.160 1.013 0.814 0.923 0.615 CA 1.603 14 residues pruned to eliminate duplicates Z: 14 25.801 1.918 0.934 0.849 1.000 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 15 37.246 2.154 0.974 0.896 1.000 0.929 CB 1.677 15 residues pruned to eliminate duplicates Z: 16 31.414 2.049 1.208 0.833 0.933 0.733 CB 1.441 16 residues pruned to eliminate duplicates Z: 9 11.518 1.932 0.809 0.591 0.750 0.750 CB 1.424 9 residues pruned to eliminate duplicates Z: 12 16.147 2.273 0.914 0.420 0.818 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 42 28.219 1.841 0.899 0.608 0.927 0.732 CB 1.227 11 residues pruned to eliminate duplicates Z: 12 33.249 2.325 0.863 0.913 1.000 1.000 CA 1.637 12 residues pruned to eliminate duplicates Z: 15 33.208 2.155 0.963 0.875 0.929 0.643 CB 1.643 15 residues pruned to eliminate duplicates Z: 16 40.593 2.356 0.767 0.944 1.000 0.933 CA 1.743 16 residues pruned to eliminate duplicates Z: 12 33.461 2.155 0.926 0.914 1.000 0.909 CA 1.720 12 residues pruned to eliminate duplicates Z: 11 28.779 2.210 0.664 0.912 1.000 1.000 CB 1.753 11 residues pruned to eliminate duplicates Z: 17 25.915 2.231 0.566 0.857 0.938 0.688 CA 1.458 17 residues pruned to eliminate duplicates Z: 26 30.734 2.157 0.737 0.537 0.960 0.680 CA 1.647 26 residues pruned to eliminate duplicates Z: 27 20.791 2.157 0.693 0.319 0.885 0.538 CB 1.542 27 residues pruned to eliminate duplicates Z: 23 14.419 2.149 0.591 0.413 0.773 0.682 CB 1.275 23 residues pruned to eliminate duplicates Z: 71 46.569 2.245 0.769 0.522 0.886 0.543 CB 1.548 71 residues pruned to eliminate duplicates Z: 11 15.680 2.082 0.777 0.519 0.800 0.700 CB 1.644 11 residues pruned to eliminate duplicates Z: 17 35.541 2.319 0.815 0.896 0.875 0.688 CA 1.728 17 residues pruned to eliminate duplicates Z: 11 20.755 1.992 0.425 0.922 1.000 0.900 CA 1.626 11 residues pruned to eliminate duplicates Z: 93 53.123 2.097 0.779 0.568 0.946 0.696 CB 1.470 93 residues pruned to eliminate duplicates Z: 16 29.220 2.303 0.255 0.946 1.000 1.000 CB 1.804 16 residues pruned to eliminate duplicates Z: 17 19.058 1.980 0.536 0.905 0.938 0.750 CB 1.189 17 residues pruned to eliminate duplicates Z: 16 34.408 2.300 0.654 0.891 0.933 0.800 CA 1.799 16 residues pruned to eliminate duplicates Z: 14 19.634 1.896 0.768 0.843 0.923 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 120 65.650 2.252 0.812 0.499 0.908 0.681 CB 1.627 120 residues pruned to eliminate duplicates Z: 12 16.511 2.030 0.995 0.535 0.818 0.727 CB 1.452 Z: 25 19.193 2.126 0.656 0.432 0.833 0.667 CB 1.433 25 residues pruned to eliminate duplicates Z: 15 39.421 2.154 1.085 0.886 1.000 1.000 CB 1.693 15 residues pruned to eliminate duplicates Z: 10 30.648 2.197 0.968 0.919 1.000 0.778 CA 1.665 10 residues pruned to eliminate duplicates Z: 13 27.118 2.340 0.388 0.920 1.000 1.000 CA 1.697 13 residues pruned to eliminate duplicates Z: 21 20.622 2.100 0.913 0.428 0.900 0.550 CB 1.375 21 residues pruned to eliminate duplicates Z: 24 29.481 2.141 1.041 0.514 0.957 0.609 CB 1.449 10 residues pruned to eliminate duplicates Z: 80 38.676 2.071 0.706 0.517 0.873 0.608 CB 1.386 80 residues pruned to eliminate duplicates Z: 95 68.155 2.312 0.775 0.536 0.957 0.670 CA 1.726 95 residues pruned to eliminate duplicates Z: 14 39.406 2.313 0.903 0.881 1.000 0.769 CA 1.798 14 residues pruned to eliminate duplicates Z: 14 36.449 2.201 1.125 0.815 0.923 0.615 CA 1.781 14 residues pruned to eliminate duplicates Z: 18 20.348 2.075 0.819 0.543 0.824 0.706 CA 1.523 18 residues pruned to eliminate duplicates Z: 42 44.519 2.267 0.806 0.579 0.927 0.683 CB 1.698 42 residues pruned to eliminate duplicates Z: 10 26.732 2.225 0.843 0.924 0.889 0.889 CA 1.717 10 residues pruned to eliminate duplicates Z: 11 28.572 2.225 0.707 0.918 1.000 0.900 CB 1.677 11 residues pruned to eliminate duplicates Z: 14 24.080 2.119 0.751 0.935 1.000 1.000 CB 1.254 14 residues pruned to eliminate duplicates Z: 16 32.828 2.312 0.602 0.882 0.933 0.800 CA 1.774 16 residues pruned to eliminate duplicates Z: 11 28.594 2.431 0.814 0.835 0.900 0.700 CB 1.706 11 residues pruned to eliminate duplicates Z: 14 24.952 2.108 0.782 0.929 1.000 1.000 CB 1.289 14 residues pruned to eliminate duplicates Z: 21 25.103 2.113 1.161 0.381 0.900 0.500 CB 1.551 21 residues pruned to eliminate duplicates Z: 13 19.617 2.138 0.841 0.565 0.833 0.667 CA 1.621 11 residues pruned to eliminate duplicates Z: 81 37.333 2.030 0.702 0.494 0.913 0.588 CB 1.332 81 residues pruned to eliminate duplicates Z: 94 72.428 2.343 0.834 0.561 0.935 0.710 CB 1.761 94 residues pruned to eliminate duplicates Z: 95 73.351 2.334 0.876 0.549 0.936 0.702 CA 1.759 95 residues pruned to eliminate duplicates Z: 15 23.087 2.017 0.695 0.935 1.000 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 15 34.318 2.174 1.064 0.827 0.929 0.857 CB 1.659 15 residues pruned to eliminate duplicates Z: 16 27.723 2.348 0.469 0.885 0.867 0.800 CB 1.729 16 residues pruned to eliminate duplicates Z: 20 20.336 2.094 0.937 0.421 0.895 0.684 CB 1.396 20 residues pruned to eliminate duplicates Z: 104 69.953 2.317 0.799 0.544 0.922 0.728 CB 1.716 107 residues pruned to eliminate duplicates Z: 61 36.120 2.073 0.717 0.535 0.900 0.633 CB 1.407 61 residues pruned to eliminate duplicates Z: 15 11.514 1.976 0.337 0.448 0.786 0.643 CA 1.564 15 residues pruned to eliminate duplicates Z: 24 23.338 2.107 0.833 0.473 0.957 0.696 CB 1.354 24 residues pruned to eliminate duplicates Z: 16 34.458 2.365 0.500 0.871 1.000 0.867 CA 1.829 16 residues pruned to eliminate duplicates Z: 17 24.242 2.216 0.583 0.883 0.875 0.812 CA 1.428 17 residues pruned to eliminate duplicates Z: 30 20.204 2.098 0.710 0.389 0.862 0.517 CB 1.364 30 residues pruned to eliminate duplicates Z: 71 39.732 2.171 0.664 0.488 0.914 0.614 CB 1.455 71 residues pruned to eliminate duplicates Z: 53 33.597 2.035 0.742 0.492 0.904 0.635 CB 1.466 53 residues pruned to eliminate duplicates Z: 32 17.994 2.047 0.622 0.411 0.871 0.677 CB 1.226 32 residues pruned to eliminate duplicates Z: 11 25.766 2.183 0.618 0.895 1.000 0.900 CB 1.654 11 residues pruned to eliminate duplicates Z: 16 33.007 2.335 0.698 0.899 0.933 0.667 CA 1.647 16 residues pruned to eliminate duplicates Z: 13 16.722 2.150 0.514 0.464 0.917 0.667 C 1.678 13 residues pruned to eliminate duplicates Z: 35 42.095 2.367 0.697 0.587 0.941 0.765 CB 1.757 35 residues pruned to eliminate duplicates Z: 54 39.675 2.184 0.840 0.493 0.868 0.642 CB 1.573 54 residues pruned to eliminate duplicates Z: 15 38.183 2.162 1.000 0.883 1.000 0.857 CB 1.707 15 residues pruned to eliminate duplicates Z: 11 34.328 2.217 1.155 0.926 1.000 0.800 CB 1.594 11 residues pruned to eliminate duplicates Z: 42 30.423 2.094 0.875 0.525 0.854 0.488 CB 1.383 42 residues pruned to eliminate duplicates Z: 27 24.782 2.054 0.856 0.463 0.962 0.615 CB 1.378 27 residues pruned to eliminate duplicates Z: 21 20.254 2.014 0.699 0.438 0.900 0.650 CB 1.568 21 residues pruned to eliminate duplicates Z: 12 39.956 2.369 1.135 0.936 1.000 0.727 CB 1.659 12 residues pruned to eliminate duplicates Z: 17 28.426 2.381 0.397 0.807 0.938 0.875 CA 1.743 17 residues pruned to eliminate duplicates Z: 25 35.748 2.257 0.830 0.604 1.000 0.667 CB 1.600 25 residues pruned to eliminate duplicates Z: 27 24.047 2.223 0.527 0.460 0.962 0.577 CB 1.506 27 residues pruned to eliminate duplicates Z: 13 34.178 2.242 1.018 0.910 1.000 0.667 CA 1.546 13 residues pruned to eliminate duplicates Z: 13 13.911 1.879 1.032 0.523 0.833 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 22 18.207 2.024 0.697 0.459 0.810 0.476 CB 1.490 22 residues pruned to eliminate duplicates Z: 109 51.196 2.104 0.790 0.530 0.898 0.667 CB 1.413 109 residues pruned to eliminate duplicates Z: 14 19.681 2.078 0.599 0.615 0.923 0.846 CB 1.596 14 residues pruned to eliminate duplicates Z: 8 10.491 1.923 0.888 0.710 1.000 0.714 CB 0.903 Z: 15 28.458 2.126 0.688 0.861 1.000 0.857 CB 1.558 15 residues pruned to eliminate duplicates Z: 14 23.557 2.083 0.739 0.640 1.000 0.846 CB 1.583 14 residues pruned to eliminate duplicates Z: 18 20.149 2.165 0.767 0.492 0.882 0.647 CB 1.459 18 residues pruned to eliminate duplicates Z: 30 29.381 2.197 0.950 0.501 0.897 0.655 CB 1.418 30 residues pruned to eliminate duplicates Z: 16 24.008 2.085 0.647 0.834 0.867 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 13 28.039 2.238 0.935 0.860 0.917 0.833 CA 1.499 13 residues pruned to eliminate duplicates Z: 9 13.580 1.820 1.229 0.746 0.875 0.875 CB 1.086 Z: 54 35.827 2.071 0.813 0.509 0.906 0.660 CB 1.434 54 residues pruned to eliminate duplicates Z: 14 17.531 2.143 0.490 0.508 0.923 0.615 CB 1.637 12 residues pruned to eliminate duplicates Z: 111 56.854 2.168 0.857 0.515 0.918 0.591 CB 1.445 120 residues pruned to eliminate duplicates Z: 28 28.380 2.191 0.957 0.477 0.926 0.556 CB 1.408 28 residues pruned to eliminate duplicates Z: 99 44.247 2.062 0.723 0.533 0.898 0.602 CB 1.357 102 residues pruned to eliminate duplicates Z: 64 48.137 2.275 0.700 0.553 0.952 0.635 CB 1.564 64 residues pruned to eliminate duplicates Z: 21 18.312 2.022 0.632 0.514 0.800 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 18 24.173 2.188 0.387 0.858 0.941 0.824 CA 1.511 18 residues pruned to eliminate duplicates Z: 9 14.420 2.225 1.026 0.372 0.875 0.750 CB 1.483 9 residues pruned to eliminate duplicates Z: 16 38.937 2.344 0.664 0.939 1.000 1.000 CA 1.791 16 residues pruned to eliminate duplicates Z: 15 30.045 2.026 0.918 0.881 0.929 0.571 CB 1.612 15 residues pruned to eliminate duplicates Z: 50 42.436 2.257 0.742 0.556 0.918 0.571 CA 1.590 50 residues pruned to eliminate duplicates Z: 12 14.691 2.138 0.637 0.501 0.818 0.727 CB 1.546 12 residues pruned to eliminate duplicates Z: 13 24.772 1.992 0.946 0.852 1.000 0.667 CB 1.365 13 residues pruned to eliminate duplicates Z: 17 26.244 2.271 0.546 0.810 1.000 0.875 CA 1.426 17 residues pruned to eliminate duplicates Z: 14 15.726 2.026 0.409 0.512 1.000 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 17 33.383 2.185 0.896 0.902 1.000 0.750 CA 1.437 17 residues pruned to eliminate duplicates Z: 61 40.366 2.063 0.867 0.579 0.900 0.600 CB 1.392 61 residues pruned to eliminate duplicates Z: 14 23.401 2.101 0.746 0.929 1.000 0.923 CB 1.237 14 residues pruned to eliminate duplicates Z: 70 47.719 2.256 0.761 0.516 0.928 0.594 CB 1.535 70 residues pruned to eliminate duplicates Z: 20 15.665 2.027 0.759 0.432 0.895 0.579 CB 1.209 16 residues pruned to eliminate duplicates Z: 31 26.047 2.201 0.774 0.315 0.933 0.567 CB 1.600 31 residues pruned to eliminate duplicates Z: 16 16.422 1.916 0.486 0.527 0.933 0.600 C 1.553 16 residues pruned to eliminate duplicates Z: 16 32.276 2.269 0.501 0.901 1.000 0.800 CA 1.747 16 residues pruned to eliminate duplicates Z: 62 45.853 2.293 0.649 0.524 0.918 0.656 CB 1.650 62 residues pruned to eliminate duplicates Z: 74 64.172 2.335 0.897 0.562 0.918 0.712 CB 1.740 74 residues pruned to eliminate duplicates Z: 7 10.936 2.042 0.840 0.531 0.833 0.667 CA 1.383 7 residues pruned to eliminate duplicates Z: 14 22.763 2.069 0.717 0.641 1.000 0.769 CB 1.557 14 residues pruned to eliminate duplicates Z: 15 20.552 2.052 0.679 0.898 0.929 0.857 CB 1.228 15 residues pruned to eliminate duplicates Z: 12 24.486 2.175 0.822 0.875 0.909 0.909 CA 1.490 12 residues pruned to eliminate duplicates Z: 8 24.870 2.327 1.054 0.825 1.000 1.000 CB 1.485 8 residues pruned to eliminate duplicates Z: 13 16.119 1.932 0.576 0.804 0.917 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 17 19.217 2.010 0.912 0.485 0.812 0.688 CB 1.562 17 residues pruned to eliminate duplicates Z: 23 25.491 2.221 0.941 0.494 0.864 0.773 CB 1.469 23 residues pruned to eliminate duplicates Z: 25 29.476 2.200 0.600 0.599 0.917 0.625 CB 1.697 25 residues pruned to eliminate duplicates Z: 21 17.574 2.099 0.622 0.451 0.850 0.650 CB 1.428 21 residues pruned to eliminate duplicates Z: 35 18.194 1.837 0.605 0.554 0.941 0.706 CB 1.067 25 residues pruned to eliminate duplicates Z: 22 36.326 2.323 0.667 0.717 0.952 0.619 CB 1.766 22 residues pruned to eliminate duplicates Z: 47 30.187 2.032 0.740 0.502 0.935 0.500 CB 1.343 47 residues pruned to eliminate duplicates Z: 11 28.880 2.277 0.753 0.872 1.000 0.800 CB 1.667 11 residues pruned to eliminate duplicates Z: 26 18.290 2.065 0.617 0.419 0.960 0.600 CB 1.241 26 residues pruned to eliminate duplicates Z: 92 53.427 2.174 0.756 0.550 0.934 0.703 CB 1.496 92 residues pruned to eliminate duplicates Z: 83 62.219 2.288 0.765 0.535 0.939 0.671 CB 1.751 83 residues pruned to eliminate duplicates Z: 22 25.405 2.184 0.885 0.531 0.952 0.714 CB 1.372 23 residues pruned to eliminate duplicates Z: 20 10.136 1.996 0.653 0.388 0.789 0.579 CB 1.006 13 residues pruned to eliminate duplicates Z: 23 22.947 2.035 0.926 0.555 0.864 0.591 CB 1.370 23 residues pruned to eliminate duplicates Z: 12 26.743 2.242 0.806 0.931 0.909 0.727 CA 1.530 12 residues pruned to eliminate duplicates Z: 27 21.683 2.130 0.846 0.377 0.846 0.615 CB 1.456 27 residues pruned to eliminate duplicates Z: 10 11.313 1.825 0.934 0.675 0.889 0.778 CB 1.022 10 residues pruned to eliminate duplicates Z: 12 28.443 2.082 1.055 0.906 1.000 0.909 CB 1.425 12 residues pruned to eliminate duplicates Z: 16 17.936 2.057 0.815 0.522 0.933 0.533 CB 1.301 16 residues pruned to eliminate duplicates Z: 13 27.369 2.224 0.722 0.857 0.917 0.750 CB 1.659 13 residues pruned to eliminate duplicates Z: 13 18.176 2.013 0.995 0.437 0.917 0.833 CA 1.522 13 residues pruned to eliminate duplicates Z: 43 29.460 2.067 0.787 0.462 0.881 0.548 CB 1.452 43 residues pruned to eliminate duplicates Z: 7 7.359 1.904 0.726 0.310 1.000 0.333 CB 1.128 7 residues pruned to eliminate duplicates Z: 6 6.828 1.259 1.099 0.834 1.000 1.000 CB 0.866 6 residues pruned to eliminate duplicates Z: 15 31.094 2.423 0.369 0.917 1.000 1.000 CB 1.768 15 residues pruned to eliminate duplicates Z: 91 53.586 2.176 0.761 0.553 0.944 0.667 CB 1.482 91 residues pruned to eliminate duplicates Z: 20 14.008 2.006 0.669 0.370 0.895 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 72 48.587 2.267 0.785 0.531 0.901 0.634 CB 1.533 72 residues pruned to eliminate duplicates Z: 13 24.255 2.184 0.537 0.862 0.917 0.833 CB 1.671 13 residues pruned to eliminate duplicates Z: 16 26.802 2.023 0.798 0.792 0.933 0.733 CB 1.578 16 residues pruned to eliminate duplicates Z: 43 35.572 2.107 0.698 0.579 0.952 0.714 CB 1.493 43 residues pruned to eliminate duplicates Z: 21 9.164 1.970 0.634 0.324 0.750 0.550 CB 1.030 21 residues pruned to eliminate duplicates Z: 35 30.613 2.165 0.873 0.486 0.882 0.735 CB 1.488 35 residues pruned to eliminate duplicates Z: 58 37.625 2.069 0.734 0.511 0.965 0.719 CB 1.423 58 residues pruned to eliminate duplicates Z: 17 21.357 1.971 0.485 0.940 1.000 0.875 CB 1.266 17 residues pruned to eliminate duplicates Z: 20 10.953 1.762 0.539 0.392 0.842 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 43 44.064 2.321 0.635 0.598 0.976 0.619 CB 1.672 43 residues pruned to eliminate duplicates Z: 13 20.729 2.055 0.547 0.792 1.000 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 14 29.261 2.107 0.864 0.811 1.000 0.692 CA 1.576 14 residues pruned to eliminate duplicates Z: 9 7.179 1.800 0.078 0.444 1.000 0.625 CB 1.386 9 residues pruned to eliminate duplicates Z: 31 18.021 2.030 0.638 0.418 0.933 0.600 CB 1.154 31 residues pruned to eliminate duplicates Z: 11 2.008 1.413 0.008 0.224 0.700 0.300 CB 0.880 Z: 19 27.226 2.178 0.665 0.796 0.889 0.556 CA 1.537 19 residues pruned to eliminate duplicates Z: 12 14.636 1.946 0.904 0.510 0.818 0.818 C 1.442 12 residues pruned to eliminate duplicates Z: 11 15.900 2.034 0.420 0.683 1.000 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 70 50.099 2.271 0.664 0.533 0.928 0.681 CB 1.666 70 residues pruned to eliminate duplicates Z: 48 35.034 2.050 0.688 0.539 0.957 0.723 CB 1.484 48 residues pruned to eliminate duplicates Z: 35 24.443 2.103 0.655 0.480 0.882 0.676 CB 1.392 35 residues pruned to eliminate duplicates Z: 92 42.772 2.122 0.691 0.433 0.912 0.571 CB 1.468 92 residues pruned to eliminate duplicates Z: 46 49.047 2.315 0.841 0.542 0.933 0.733 CB 1.763 46 residues pruned to eliminate duplicates Z: 12 18.564 2.227 0.590 0.811 0.909 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 13 28.763 2.184 0.733 0.928 1.000 0.917 CB 1.536 13 residues pruned to eliminate duplicates Z: 52 30.607 1.955 0.769 0.531 0.941 0.627 CB 1.278 52 residues pruned to eliminate duplicates Z: 7 10.636 1.779 0.781 0.677 1.000 0.833 CB 1.165 9 residues pruned to eliminate duplicates Z: 23 23.551 2.281 0.614 0.524 0.909 0.409 CB 1.465 23 residues pruned to eliminate duplicates Z: 92 54.120 2.165 0.784 0.542 0.934 0.692 CB 1.509 92 residues pruned to eliminate duplicates Z: 73 39.291 2.038 0.643 0.563 0.931 0.611 CB 1.398 73 residues pruned to eliminate duplicates 6 1.228 1.232 0.391 0.413 0.600 0.400 N 0.585 ? Z: 16 32.723 2.266 0.633 0.887 0.933 0.867 CA 1.764 16 residues pruned to eliminate duplicates Z: 7 6.787 1.837 1.215 0.759 1.000 0.833 CB 0.541 7 residues pruned to eliminate duplicates Z: 44 33.687 2.071 0.775 0.535 0.977 0.674 CB 1.382 44 residues pruned to eliminate duplicates Z: 18 10.634 1.829 0.599 0.371 0.882 0.647 CB 1.147 28 residues pruned to eliminate duplicates Z: 16 8.540 1.828 0.611 0.377 0.800 0.600 CB 1.067 16 residues pruned to eliminate duplicates Z: 27 19.725 2.140 0.683 0.310 0.885 0.538 CB 1.499 27 residues pruned to eliminate duplicates Z: 15 18.343 2.015 0.426 0.937 1.000 0.929 CB 1.187 15 residues pruned to eliminate duplicates Z: 95 60.098 2.267 0.848 0.540 0.894 0.617 CB 1.591 95 residues pruned to eliminate duplicates Z: 16 39.126 2.318 0.763 0.901 1.000 0.867 CA 1.765 16 residues pruned to eliminate duplicates Z: 93 66.417 2.347 0.700 0.559 0.946 0.674 CB 1.733 93 residues pruned to eliminate duplicates Z: 17 10.252 2.002 0.376 0.397 0.875 0.688 CB 1.185 17 residues pruned to eliminate duplicates Z: 16 27.352 2.298 0.435 0.940 0.933 0.867 CA 1.593 16 residues pruned to eliminate duplicates Z: 14 34.502 2.195 0.957 0.860 1.000 0.846 CB 1.638 14 residues pruned to eliminate duplicates Z: 12 15.213 2.054 0.358 0.917 1.000 0.818 CB 1.160 12 residues pruned to eliminate duplicates Z: 49 30.321 1.985 0.841 0.563 0.917 0.667 CB 1.229 49 residues pruned to eliminate duplicates Z: 42 41.521 2.283 0.572 0.604 0.976 0.707 CB 1.677 42 residues pruned to eliminate duplicates Z: 32 23.313 1.837 0.921 0.592 0.968 0.645 CB 1.123 32 residues pruned to eliminate duplicates Z: 15 22.522 1.998 0.677 0.940 1.000 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 14 21.768 2.110 0.579 0.928 1.000 0.846 CB 1.269 14 residues pruned to eliminate duplicates Z: 13 15.053 1.827 0.370 0.896 0.917 0.833 CB 1.357 13 residues pruned to eliminate duplicates Z: 94 46.989 2.067 0.703 0.553 0.935 0.667 CB 1.405 94 residues pruned to eliminate duplicates Z: 6 10.799 1.942 1.326 0.845 1.000 1.000 CB 0.795 7 residues pruned to eliminate duplicates Z: 16 20.633 2.216 0.688 0.476 0.933 0.733 CA 1.563 16 residues pruned to eliminate duplicates Z: 79 42.438 2.066 0.675 0.540 0.923 0.679 CB 1.447 79 residues pruned to eliminate duplicates Z: 15 23.137 1.850 0.897 0.832 1.000 0.714 CB 1.322 15 residues pruned to eliminate duplicates Z: 14 26.451 2.124 0.992 0.909 0.846 0.615 CB 1.454 14 residues pruned to eliminate duplicates Z: 13 15.063 1.878 0.688 0.860 0.917 0.833 CB 1.100 13 residues pruned to eliminate duplicates Z: 14 16.586 1.665 0.909 0.867 1.000 0.769 CB 1.059 14 residues pruned to eliminate duplicates Z: 34 34.475 2.181 0.800 0.535 0.939 0.667 CB 1.571 34 residues pruned to eliminate duplicates Z: 8 9.627 2.170 0.982 0.360 0.857 0.714 CB 1.148 8 residues pruned to eliminate duplicates Z: 48 37.271 2.226 0.668 0.531 0.915 0.638 CA 1.552 48 residues pruned to eliminate duplicates Z: 14 16.532 1.839 0.513 0.808 1.000 0.692 CB 1.260 14 residues pruned to eliminate duplicates Z: 80 39.083 2.059 0.624 0.510 0.924 0.684 CB 1.409 80 residues pruned to eliminate duplicates Z: 9 14.777 1.813 0.644 0.749 1.000 0.875 CB 1.404 9 residues pruned to eliminate duplicates Z: 18 24.939 2.072 0.666 0.484 1.000 0.588 CB 1.782 18 residues pruned to eliminate duplicates Z: 71 52.649 2.236 0.819 0.533 0.957 0.571 CB 1.564 71 residues pruned to eliminate duplicates Z: 8 20.031 2.131 0.997 0.653 0.857 0.714 N 1.800 8 residues pruned to eliminate duplicates Z: 16 21.861 2.042 0.962 0.559 1.000 0.733 CB 1.331 16 residues pruned to eliminate duplicates Z: 54 44.422 2.274 0.676 0.550 0.925 0.660 CA 1.649 54 residues pruned to eliminate duplicates Z: 13 8.150 1.922 0.435 0.434 0.917 0.500 CB 0.996 13 residues pruned to eliminate duplicates Z: 6 7.051 1.556 0.405 0.704 1.000 1.000 CA 1.199 6 residues pruned to eliminate duplicates Z: 12 38.632 2.384 1.017 0.929 1.000 0.909 CA 1.696 12 residues pruned to eliminate duplicates Z: 8 2.678 1.514 -0.089 0.423 0.857 0.714 CB 0.927 Z: 20 24.113 2.118 0.802 0.598 0.947 0.789 CB 1.393 20 residues pruned to eliminate duplicates Z: 17 11.215 1.905 0.544 0.327 0.812 0.375 CB 1.419 17 residues pruned to eliminate duplicates Z: 13 20.957 2.289 0.632 0.483 1.000 0.500 CA 1.647 13 residues pruned to eliminate duplicates Z: 10 19.675 2.198 0.750 0.638 1.000 0.889 CB 1.498 10 residues pruned to eliminate duplicates Z: 93 53.653 2.166 0.771 0.557 0.946 0.674 CB 1.459 93 residues pruned to eliminate duplicates Z: 93 52.529 2.157 0.756 0.532 0.946 0.663 CB 1.482 93 residues pruned to eliminate duplicates Z: 7 4.490 1.493 0.265 0.796 0.667 0.333 CA 1.124 7 residues pruned to eliminate duplicates Z: 94 52.532 2.137 0.699 0.559 0.946 0.656 CB 1.497 93 residues pruned to eliminate duplicates Z: 13 14.825 2.255 0.648 0.470 0.917 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 10 9.026 1.830 0.661 0.593 0.778 0.444 CB 1.164 10 residues pruned to eliminate duplicates Z: 6 10.942 1.889 0.369 0.850 1.000 1.000 CB 1.402 6 residues pruned to eliminate duplicates Z: 13 28.558 2.294 0.654 0.933 1.000 0.833 CB 1.516 13 residues pruned to eliminate duplicates Z: 48 31.804 2.030 0.714 0.497 0.957 0.681 CB 1.397 48 residues pruned to eliminate duplicates Z: 8 4.089 1.803 0.321 0.361 0.714 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 8 15.183 2.141 0.573 0.582 1.000 0.714 CB 1.575 8 residues pruned to eliminate duplicates Z: 9 22.293 2.229 0.931 0.590 1.000 0.875 CB 1.680 9 residues pruned to eliminate duplicates Z: 9 24.768 2.127 1.096 0.831 1.000 0.875 CB 1.477 9 residues pruned to eliminate duplicates Z: 14 23.574 1.962 0.720 0.811 1.000 0.538 CB 1.477 14 residues pruned to eliminate duplicates Z: 6 3.454 1.392 0.455 0.506 0.800 0.600 O 0.948 Z: 25 18.591 2.101 0.634 0.437 0.875 0.750 CB 1.348 25 residues pruned to eliminate duplicates Z: 16 15.298 1.714 0.597 0.837 1.000 0.800 CB 1.079 16 residues pruned to eliminate duplicates Z: 35 44.793 2.332 0.961 0.593 0.882 0.765 CB 1.743 35 residues pruned to eliminate duplicates Z: 15 19.953 2.215 0.924 0.467 0.929 0.714 CB 1.394 15 residues pruned to eliminate duplicates Z: 92 54.772 2.158 0.804 0.543 0.956 0.670 CB 1.479 92 residues pruned to eliminate duplicates Z: 12 29.804 2.219 0.797 0.908 1.000 0.818 CB 1.600 12 residues pruned to eliminate duplicates Z: 12 6.691 1.594 0.300 0.429 0.909 0.545 CB 1.152 Z: 25 24.821 2.100 1.021 0.475 0.833 0.708 CB 1.470 25 residues pruned to eliminate duplicates Z: 23 32.779 2.302 0.690 0.688 0.909 0.682 CA 1.663 23 residues pruned to eliminate duplicates Z: 50 44.333 2.243 0.761 0.576 0.939 0.633 CA 1.588 50 residues pruned to eliminate duplicates Z: 10 15.704 1.904 0.838 0.773 1.000 0.889 CB 1.175 11 residues pruned to eliminate duplicates Z: 12 5.552 1.809 0.200 0.248 0.818 0.545 CA 1.261 12 residues pruned to eliminate duplicates Z: 11 13.829 1.890 0.822 0.607 0.900 0.600 CB 1.275 11 residues pruned to eliminate duplicates Z: 15 16.966 1.978 0.648 0.465 0.929 0.857 CB 1.552 15 residues pruned to eliminate duplicates Z: 6 4.981 1.738 0.129 0.541 0.800 0.600 O 1.363 Z: 82 67.835 2.327 0.880 0.534 0.951 0.728 CA 1.753 82 residues pruned to eliminate duplicates Z: 14 17.193 1.675 0.883 0.866 1.000 0.692 CB 1.107 14 residues pruned to eliminate duplicates Z: 60 41.460 2.238 0.748 0.486 0.881 0.610 CB 1.587 60 residues pruned to eliminate duplicates Z: 7 10.582 1.520 0.814 0.785 1.000 0.833 O 1.219 7 residues pruned to eliminate duplicates Z: 20 23.835 2.032 0.990 0.522 0.895 0.684 CB 1.479 20 residues pruned to eliminate duplicates Z: 11 13.458 1.690 0.879 0.933 1.000 0.900 CB 0.935 11 residues pruned to eliminate duplicates Z: 14 13.957 2.029 0.602 0.432 0.846 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 10 7.588 1.970 0.454 0.300 0.778 0.556 CA 1.419 10 residues pruned to eliminate duplicates Z: 47 37.652 2.175 0.707 0.553 0.891 0.630 CA 1.593 47 residues pruned to eliminate duplicates Z: 14 23.939 1.883 0.974 0.865 1.000 0.769 CB 1.309 14 residues pruned to eliminate duplicates Z: 8 4.572 1.538 0.220 0.437 0.857 0.571 CA 1.146 Z: 12 23.366 2.169 0.696 0.616 1.000 0.727 CA 1.715 12 residues pruned to eliminate duplicates Z: 8 14.470 1.807 0.951 0.698 1.000 0.714 CB 1.295 8 residues pruned to eliminate duplicates Z: 29 21.140 2.068 0.629 0.390 0.929 0.679 CB 1.435 29 residues pruned to eliminate duplicates Z: 17 19.862 1.964 0.655 0.802 1.000 0.812 CB 1.173 17 residues pruned to eliminate duplicates Z: 14 17.110 2.050 0.729 0.796 0.769 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 40 38.184 2.292 0.598 0.528 0.949 0.590 CB 1.713 40 residues pruned to eliminate duplicates Z: 12 19.527 2.223 0.565 0.633 0.909 0.818 CB 1.644 12 residues pruned to eliminate duplicates Z: 19 17.228 2.172 0.472 0.390 1.000 0.667 CB 1.426 19 residues pruned to eliminate duplicates Z: 17 24.266 2.194 0.777 0.510 0.875 0.562 CA 1.761 17 residues pruned to eliminate duplicates Z: 43 38.247 2.188 0.669 0.610 0.976 0.738 CA 1.491 43 residues pruned to eliminate duplicates Z: 55 46.244 2.313 0.782 0.496 0.926 0.648 CA 1.655 55 residues pruned to eliminate duplicates Z: 11 11.957 1.639 0.716 0.788 1.000 0.700 CA 1.043 11 residues pruned to eliminate duplicates Z: 14 14.083 1.655 0.706 0.847 1.000 1.000 CB 1.027 14 residues pruned to eliminate duplicates Z: 39 30.668 2.034 0.948 0.543 0.868 0.632 CB 1.386 39 residues pruned to eliminate duplicates Z: 9 16.445 2.108 0.483 0.723 1.000 0.875 CB 1.521 9 residues pruned to eliminate duplicates Z: 9 17.531 2.096 0.839 0.569 1.000 0.875 CB 1.504 9 residues pruned to eliminate duplicates Z: 13 17.671 1.878 0.755 0.834 1.000 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 31 31.981 2.194 0.784 0.544 0.900 0.733 CB 1.587 31 residues pruned to eliminate duplicates Z: 16 32.052 2.097 0.826 0.859 0.933 0.867 CB 1.703 16 residues pruned to eliminate duplicates Z: 35 27.491 1.984 0.778 0.573 0.882 0.735 CB 1.411 35 residues pruned to eliminate duplicates Z: 13 18.539 2.195 0.801 0.477 0.917 0.750 CB 1.513 13 residues pruned to eliminate duplicates Z: 10 13.526 1.979 0.484 0.557 0.889 0.667 CA 1.633 10 residues pruned to eliminate duplicates Z: 11 6.459 1.691 0.336 0.570 0.900 0.600 CB 0.939 10 residues pruned to eliminate duplicates Z: 83 64.660 2.316 0.835 0.553 0.939 0.659 CB 1.698 83 residues pruned to eliminate duplicates Z: 13 10.864 1.656 0.083 0.905 1.000 0.833 CB 1.245 13 residues pruned to eliminate duplicates Z: 52 41.319 2.271 0.776 0.486 0.882 0.627 CB 1.649 52 residues pruned to eliminate duplicates Z: 41 39.534 2.286 0.677 0.619 0.925 0.725 CA 1.575 41 residues pruned to eliminate duplicates Z: 14 24.163 2.125 0.805 0.522 1.000 0.692 C 1.709 14 residues pruned to eliminate duplicates Z: 18 28.243 2.304 0.556 0.674 0.941 0.647 CB 1.729 18 residues pruned to eliminate duplicates Z: 20 18.945 1.902 0.849 0.453 0.895 0.579 CB 1.449 20 residues pruned to eliminate duplicates Z: 23 19.423 2.206 0.623 0.450 0.909 0.727 CB 1.339 23 residues pruned to eliminate duplicates Z: 35 21.932 1.848 0.719 0.584 0.941 0.706 CB 1.160 35 residues pruned to eliminate duplicates Z: 14 20.639 1.706 1.228 0.838 1.000 0.692 CA 1.125 14 residues pruned to eliminate duplicates Z: 7 7.969 1.943 0.459 0.586 0.833 0.667 CB 1.269 7 residues pruned to eliminate duplicates Z: 9 6.629 1.784 0.235 0.567 0.750 0.250 CB 1.331 9 residues pruned to eliminate duplicates Z: 6 4.790 1.527 0.476 0.756 0.600 0.600 CA 1.261 6 residues pruned to eliminate duplicates Z: 13 18.806 1.964 0.891 0.595 0.917 0.750 CA 1.457 13 residues pruned to eliminate duplicates Z: 14 22.811 1.921 0.833 0.884 1.000 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 22 28.983 2.370 0.726 0.413 0.952 0.714 CA 1.779 22 residues pruned to eliminate duplicates Z: 23 21.356 2.113 0.903 0.378 0.818 0.591 CB 1.576 23 residues pruned to eliminate duplicates Z: 10 16.347 2.020 0.709 0.807 0.889 0.667 CA 1.359 10 residues pruned to eliminate duplicates Z: 6 2.319 1.210 0.042 0.586 1.000 0.600 C 0.757 6 residues pruned to eliminate duplicates Z: 8 2.165 1.355 0.886 0.293 0.571 0.286 CA 0.707 Z: 23 23.472 2.167 0.826 0.434 0.864 0.682 CB 1.568 23 residues pruned to eliminate duplicates Z: 15 11.737 1.773 0.449 0.561 1.000 0.643 CB 1.151 15 residues pruned to eliminate duplicates Z: 9 19.273 1.940 0.958 0.572 1.000 0.750 C 1.673 9 residues pruned to eliminate duplicates Z: 16 27.831 2.298 0.282 0.920 1.000 0.867 CA 1.719 16 residues pruned to eliminate duplicates Z: 13 22.255 2.066 0.885 0.938 1.000 0.750 CB 1.147 13 residues pruned to eliminate duplicates Z: 10 11.650 1.979 0.814 0.342 0.889 0.667 CB 1.445 10 residues pruned to eliminate duplicates Z: 14 19.566 2.066 0.442 0.911 1.000 0.923 CB 1.292 14 residues pruned to eliminate duplicates Z: 15 36.099 2.059 1.196 0.910 0.929 0.714 CB 1.630 15 residues pruned to eliminate duplicates Z: 21 22.053 2.060 0.979 0.462 0.900 0.600 CB 1.397 21 residues pruned to eliminate duplicates Z: 12 4.402 1.369 0.432 0.447 0.818 0.727 CB 0.874 Z: 11 8.888 2.154 0.439 0.382 0.800 0.600 CB 1.284 11 residues pruned to eliminate duplicates Z: 30 22.715 2.078 0.836 0.443 0.897 0.690 CB 1.309 30 residues pruned to eliminate duplicates Z: 95 55.884 2.231 0.748 0.501 0.904 0.670 CB 1.634 95 residues pruned to eliminate duplicates Z: 28 23.086 2.032 0.674 0.580 0.926 0.704 CB 1.306 28 residues pruned to eliminate duplicates Z: 11 32.781 2.400 0.953 0.840 1.000 0.800 CA 1.650 11 residues pruned to eliminate duplicates Z: 23 28.382 2.205 0.747 0.472 1.000 0.682 CA 1.617 23 residues pruned to eliminate duplicates Z: 41 29.704 1.948 0.819 0.559 0.925 0.575 CB 1.353 41 residues pruned to eliminate duplicates Z: 14 17.319 1.633 1.015 0.849 1.000 0.846 CA 1.082 14 residues pruned to eliminate duplicates Z: 35 21.327 1.840 0.705 0.570 0.941 0.676 CB 1.158 35 residues pruned to eliminate duplicates 6 1.068 1.248 0.417 0.734 1.000 0.600 CB 0.219 ? Z: 35 28.176 2.156 0.797 0.453 0.882 0.559 CB 1.483 35 residues pruned to eliminate duplicates Z: 6 2.515 1.670 -0.106 0.580 0.600 0.400 CB 1.164 6 residues pruned to eliminate duplicates Z: 20 28.974 2.330 0.743 0.515 0.947 0.789 CA 1.702 20 residues pruned to eliminate duplicates Z: 30 29.490 2.141 0.953 0.468 0.966 0.655 CB 1.402 30 residues pruned to eliminate duplicates Z: 6 3.587 1.871 0.585 0.419 0.600 0.400 CB 0.981 6 residues pruned to eliminate duplicates Z: 22 18.150 1.876 0.727 0.594 0.952 0.667 CB 1.174 22 residues pruned to eliminate duplicates Z: 19 34.929 2.280 0.657 0.759 1.000 0.778 CA 1.731 19 residues pruned to eliminate duplicates Z: 35 23.920 1.897 0.785 0.504 0.912 0.765 CB 1.324 35 residues pruned to eliminate duplicates Z: 6 2.239 1.350 0.422 0.283 0.800 0.400 CB 0.833 Z: 11 9.609 1.858 0.575 0.426 0.800 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 52 32.787 1.946 0.950 0.565 0.902 0.608 CB 1.260 52 residues pruned to eliminate duplicates Z: 74 55.491 2.248 0.883 0.507 0.904 0.616 CB 1.686 74 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 7.778 1.923 0.920 0.715 0.857 0.857 CB 0.765 8 residues pruned to eliminate duplicates Z: 8 4.637 1.750 0.758 0.585 0.714 0.571 CB 0.735 8 residues pruned to eliminate duplicates Z: 7 11.801 1.977 0.856 0.712 1.000 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 8 10.054 1.802 0.809 0.779 1.000 0.714 CB 0.911 7 residues pruned to eliminate duplicates 6 1.145 1.319 0.909 0.330 0.600 0.400 CB 0.408 ? Z: 7 5.745 1.651 0.599 0.371 0.833 0.333 C 1.225 7 residues pruned to eliminate duplicates Z: 35 47.058 2.381 0.873 0.586 0.941 0.765 CB 1.771 35 residues pruned to eliminate duplicates Z: 82 63.338 2.338 0.786 0.536 0.926 0.691 CB 1.756 82 residues pruned to eliminate duplicates Z: 94 70.499 2.343 0.796 0.559 0.935 0.720 CA 1.755 94 residues pruned to eliminate duplicates Z: 35 49.757 2.372 0.902 0.605 0.941 0.735 CB 1.819 35 residues pruned to eliminate duplicates Z: 80 61.918 2.355 0.734 0.533 0.924 0.684 CA 1.786 80 residues pruned to eliminate duplicates Z: 94 72.022 2.338 0.828 0.560 0.946 0.677 CB 1.742 94 residues pruned to eliminate duplicates Z: 55 51.239 2.282 0.891 0.514 0.944 0.630 CB 1.686 55 residues pruned to eliminate duplicates Z: 37 28.363 2.140 0.613 0.524 0.861 0.667 CB 1.553 37 residues pruned to eliminate duplicates Z: 95 65.138 2.323 0.677 0.557 0.936 0.670 CA 1.743 95 residues pruned to eliminate duplicates Z: 95 71.116 2.334 0.819 0.551 0.957 0.713 CB 1.716 95 residues pruned to eliminate duplicates Z: 82 62.602 2.334 0.786 0.518 0.938 0.691 CB 1.747 82 residues pruned to eliminate duplicates Z: 36 46.187 2.247 0.976 0.600 0.943 0.714 CB 1.695 36 residues pruned to eliminate duplicates Z: 36 46.000 2.346 0.938 0.575 0.943 0.771 CB 1.687 36 residues pruned to eliminate duplicates Z: 96 73.028 2.329 0.898 0.549 0.947 0.663 CB 1.706 96 residues pruned to eliminate duplicates Z: 112 73.266 2.308 0.845 0.534 0.946 0.676 CB 1.669 112 residues pruned to eliminate duplicates Z: 35 52.817 2.376 0.979 0.582 1.000 0.735 CB 1.781 36 residues pruned to eliminate duplicates Z: 16 30.925 2.079 0.968 0.847 0.933 0.933 CB 1.552 16 residues pruned to eliminate duplicates Z: 96 72.295 2.310 0.898 0.536 0.947 0.663 CA 1.724 96 residues pruned to eliminate duplicates Z: 96 67.016 2.320 0.845 0.548 0.884 0.674 CA 1.733 96 residues pruned to eliminate duplicates Z: 96 69.992 2.317 0.832 0.547 0.937 0.705 CB 1.725 96 residues pruned to eliminate duplicates Z: 38 43.712 2.283 0.952 0.543 0.919 0.730 CB 1.683 38 residues pruned to eliminate duplicates Z: 35 44.996 2.389 0.909 0.546 0.912 0.735 CB 1.775 35 residues pruned to eliminate duplicates Z: 94 75.566 2.361 0.861 0.549 0.968 0.688 CA 1.757 94 residues pruned to eliminate duplicates Z: 43 43.724 2.282 0.856 0.505 0.905 0.738 CB 1.751 43 residues pruned to eliminate duplicates Z: 81 65.801 2.352 0.821 0.530 0.938 0.725 CA 1.778 81 residues pruned to eliminate duplicates Z: 95 71.524 2.334 0.831 0.547 0.947 0.670 CA 1.741 95 residues pruned to eliminate duplicates Z: 23 31.854 2.340 0.919 0.566 0.818 0.727 CB 1.735 23 residues pruned to eliminate duplicates Z: 96 73.889 2.323 0.895 0.549 0.947 0.684 CB 1.733 96 residues pruned to eliminate duplicates Z: 81 62.757 2.336 0.721 0.525 0.963 0.738 CA 1.769 81 residues pruned to eliminate duplicates Z: 97 68.275 2.317 0.803 0.535 0.927 0.677 CA 1.739 97 residues pruned to eliminate duplicates Z: 108 71.366 2.294 0.881 0.555 0.944 0.664 CB 1.606 108 residues pruned to eliminate duplicates Z: 27 20.232 2.063 0.653 0.446 0.885 0.615 CB 1.390 27 residues pruned to eliminate duplicates Z: 26 23.558 2.138 0.719 0.493 0.920 0.680 CB 1.403 26 residues pruned to eliminate duplicates Z: 51 44.841 2.197 0.746 0.592 0.960 0.640 CA 1.576 51 residues pruned to eliminate duplicates Z: 18 17.220 2.090 0.726 0.488 0.941 0.647 CB 1.246 18 residues pruned to eliminate duplicates Z: 67 50.058 2.265 0.734 0.513 0.939 0.591 CA 1.648 67 residues pruned to eliminate duplicates Z: 66 44.786 2.265 0.633 0.515 0.923 0.677 CA 1.603 66 residues pruned to eliminate duplicates Z: 64 48.125 2.329 0.671 0.527 0.889 0.667 CA 1.706 64 residues pruned to eliminate duplicates Z: 60 56.271 2.300 0.771 0.565 0.983 0.661 CA 1.718 60 residues pruned to eliminate duplicates Z: 51 52.420 2.327 0.896 0.531 0.940 0.720 CB 1.734 51 residues pruned to eliminate duplicates Z: 96 67.507 2.299 0.804 0.531 0.937 0.674 CA 1.729 96 residues pruned to eliminate duplicates Z: 81 60.894 2.337 0.775 0.507 0.913 0.713 CA 1.785 81 residues pruned to eliminate duplicates Z: 64 48.172 2.269 0.719 0.502 0.937 0.587 CA 1.658 64 residues pruned to eliminate duplicates Z: 94 66.503 2.339 0.772 0.547 0.914 0.699 CB 1.738 94 residues pruned to eliminate duplicates Z: 64 49.160 2.325 0.637 0.521 0.937 0.587 CA 1.701 64 residues pruned to eliminate duplicates Z: 124 76.266 2.287 0.774 0.556 0.935 0.650 CB 1.717 177 residues pruned to eliminate duplicates Z: 6 9.489 2.074 0.298 0.669 1.000 1.000 CA 1.349 6 residues pruned to eliminate duplicates Z: 94 68.769 2.352 0.761 0.552 0.935 0.753 CB 1.748 94 residues pruned to eliminate duplicates Z: 62 51.936 2.271 0.891 0.528 0.902 0.705 CA 1.670 62 residues pruned to eliminate duplicates Z: 66 46.480 2.279 0.702 0.514 0.908 0.662 CA 1.614 66 residues pruned to eliminate duplicates Z: 81 71.788 2.346 0.907 0.532 0.975 0.713 CB 1.782 81 residues pruned to eliminate duplicates Z: 61 50.454 2.281 0.750 0.545 0.933 0.650 CA 1.672 61 residues pruned to eliminate duplicates Z: 30 17.832 2.088 0.551 0.293 0.828 0.552 CB 1.560 30 residues pruned to eliminate duplicates Z: 91 54.447 2.244 0.705 0.459 0.933 0.633 CB 1.676 91 residues pruned to eliminate duplicates Z: 63 46.494 2.243 0.669 0.545 0.935 0.645 CB 1.613 63 residues pruned to eliminate duplicates Z: 94 70.366 2.343 0.805 0.572 0.925 0.731 CB 1.741 94 residues pruned to eliminate duplicates Z: 45 37.925 2.250 0.666 0.570 0.886 0.636 CA 1.608 45 residues pruned to eliminate duplicates Z: 66 50.521 2.291 0.662 0.549 0.954 0.646 CA 1.644 66 residues pruned to eliminate duplicates Z: 52 44.586 2.222 0.774 0.561 0.922 0.686 CA 1.620 52 residues pruned to eliminate duplicates Z: 67 41.593 2.213 0.741 0.467 0.848 0.652 CB 1.619 67 residues pruned to eliminate duplicates Z: 95 69.275 2.299 0.905 0.547 0.926 0.702 CB 1.684 95 residues pruned to eliminate duplicates Z: 43 36.990 2.258 0.602 0.558 0.905 0.643 CA 1.649 43 residues pruned to eliminate duplicates Z: 53 40.758 2.271 0.770 0.431 0.904 0.577 CB 1.671 53 residues pruned to eliminate duplicates Z: 48 39.379 2.258 0.715 0.526 0.872 0.574 CA 1.657 48 residues pruned to eliminate duplicates Z: 63 56.088 2.308 0.863 0.543 0.935 0.677 CA 1.697 63 residues pruned to eliminate duplicates Z: 95 68.976 2.332 0.832 0.545 0.926 0.681 CB 1.722 95 residues pruned to eliminate duplicates Z: 53 42.400 2.292 0.633 0.477 0.942 0.615 CA 1.707 53 residues pruned to eliminate duplicates Z: 96 64.938 2.280 0.860 0.554 0.895 0.632 CB 1.666 96 residues pruned to eliminate duplicates Z: 48 41.778 2.202 0.815 0.535 0.936 0.489 CA 1.574 48 residues pruned to eliminate duplicates Z: 53 42.457 2.226 0.794 0.541 0.904 0.673 CA 1.567 53 residues pruned to eliminate duplicates Z: 44 42.164 2.263 0.730 0.599 0.953 0.721 CA 1.568 44 residues pruned to eliminate duplicates Z: 30 32.892 2.223 0.764 0.564 0.966 0.690 CA 1.516 30 residues pruned to eliminate duplicates Z: 52 37.540 2.131 0.694 0.557 0.902 0.588 CA 1.527 52 residues pruned to eliminate duplicates Z: 37 41.483 2.258 0.821 0.610 0.944 0.556 CA 1.605 37 residues pruned to eliminate duplicates Z: 61 50.967 2.282 0.738 0.564 0.917 0.683 CB 1.701 61 residues pruned to eliminate duplicates Z: 57 46.053 2.294 0.781 0.526 0.911 0.643 CA 1.613 57 residues pruned to eliminate duplicates Z: 64 52.535 2.282 0.802 0.525 0.937 0.587 CB 1.676 64 residues pruned to eliminate duplicates Z: 42 45.536 2.281 0.867 0.614 0.902 0.561 CA 1.661 42 residues pruned to eliminate duplicates Z: 50 47.444 2.206 0.834 0.595 0.959 0.653 CA 1.595 50 residues pruned to eliminate duplicates Z: 65 41.370 2.249 0.702 0.485 0.844 0.594 CB 1.626 65 residues pruned to eliminate duplicates Z: 61 50.809 2.282 0.755 0.555 0.917 0.667 CA 1.694 61 residues pruned to eliminate duplicates Z: 95 69.799 2.324 0.890 0.556 0.915 0.713 CB 1.696 95 residues pruned to eliminate duplicates Z: 93 76.102 2.356 0.907 0.560 0.935 0.696 CB 1.782 93 residues pruned to eliminate duplicates Z: 64 48.710 2.279 0.763 0.508 0.905 0.698 CA 1.674 64 residues pruned to eliminate duplicates Z: 66 51.147 2.247 0.758 0.546 0.938 0.723 CA 1.636 66 residues pruned to eliminate duplicates Z: 96 69.200 2.302 0.839 0.541 0.937 0.589 CB 1.719 96 residues pruned to eliminate duplicates Z: 95 71.959 2.311 0.860 0.551 0.968 0.734 CB 1.697 95 residues pruned to eliminate duplicates Z: 23 25.339 2.170 0.602 0.546 0.955 0.636 CA 1.557 23 residues pruned to eliminate duplicates Z: 95 70.282 2.302 0.863 0.544 0.957 0.723 CB 1.691 95 residues pruned to eliminate duplicates Z: 93 67.912 2.333 0.842 0.553 0.913 0.696 CB 1.713 93 residues pruned to eliminate duplicates Z: 95 53.761 2.192 0.781 0.506 0.915 0.606 CB 1.544 223 residues pruned to eliminate duplicates Z: 81 56.302 2.274 0.828 0.496 0.938 0.663 CB 1.621 81 residues pruned to eliminate duplicates Z: 112 72.367 2.285 0.853 0.523 0.955 0.721 CB 1.661 112 residues pruned to eliminate duplicates Z: 41 31.234 2.188 0.657 0.438 0.925 0.650 CB 1.569 41 residues pruned to eliminate duplicates Z: 59 47.248 2.259 0.775 0.541 0.914 0.638 CB 1.626 59 residues pruned to eliminate duplicates Z: 30 22.926 2.173 0.703 0.454 0.897 0.621 CB 1.345 Z: 6 5.477 1.958 0.567 0.358 0.800 0.800 CA 1.164 6 residues pruned to eliminate duplicates Z: 18 16.918 2.235 0.749 0.494 0.765 0.588 CB 1.381 18 residues pruned to eliminate duplicates Z: 17 24.108 2.304 0.790 0.538 0.938 0.688 CB 1.502 18 residues pruned to eliminate duplicates Z: 7 4.834 1.788 0.326 0.349 0.833 0.667 CA 1.176 7 residues pruned to eliminate duplicates Z: 17 21.933 2.312 0.749 0.533 0.875 0.688 CB 1.499 17 residues pruned to eliminate duplicates Z: 21 20.976 2.120 0.815 0.473 0.900 0.650 CB 1.392 21 residues pruned to eliminate duplicates Z: 31 27.846 2.172 0.647 0.527 0.933 0.467 CB 1.482 60 residues pruned to eliminate duplicates Z: 18 21.834 2.241 0.878 0.502 0.882 0.765 CB 1.424 Z: 6 4.069 1.870 -0.010 0.357 1.000 0.800 CB 1.147 Z: 6 7.111 1.631 1.427 0.484 1.000 0.800 CA 0.816 Z: 6 3.425 1.603 0.754 0.345 0.800 0.400 C 0.806 6 1.419 1.748 0.095 0.272 0.600 0.200 CA 0.716 ? Z: 16 22.168 1.945 0.635 0.764 1.000 0.733 CB 1.425 Z: 14 17.945 1.912 0.455 0.732 1.000 0.769 CB 1.453 14 residues pruned to eliminate duplicates Z: 34 28.610 2.021 0.800 0.541 0.909 0.606 CB 1.446 21 residues pruned to eliminate duplicates Z: 13 21.261 1.900 0.854 0.837 1.000 0.833 CB 1.304 13 residues pruned to eliminate duplicates Z: 55 37.080 2.066 0.824 0.474 0.944 0.685 CB 1.456 29 residues pruned to eliminate duplicates Z: 14 19.796 1.929 0.707 0.799 1.000 0.692 CB 1.284 14 residues pruned to eliminate duplicates Z: 92 45.895 2.089 0.744 0.542 0.912 0.604 CB 1.389 51 residues pruned to eliminate duplicates Z: 14 23.400 1.946 0.941 0.824 1.000 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 45 39.768 2.119 0.934 0.534 0.932 0.727 CB 1.518 48 residues pruned to eliminate duplicates Z: 14 21.826 1.944 0.726 0.835 1.000 0.846 CB 1.351 14 residues pruned to eliminate duplicates Z: 34 31.528 2.009 0.898 0.555 0.939 0.727 CB 1.453 34 residues pruned to eliminate duplicates Z: 49 37.410 2.037 0.941 0.500 0.958 0.646 CB 1.425 49 residues pruned to eliminate duplicates Z: 81 40.765 2.054 0.729 0.522 0.913 0.650 CB 1.377 81 residues pruned to eliminate duplicates Z: 49 40.996 2.122 0.919 0.531 0.917 0.667 CB 1.538 56 residues pruned to eliminate duplicates Z: 17 17.755 1.819 0.875 0.752 0.938 0.312 CB 1.109 17 residues pruned to eliminate duplicates Z: 97 49.159 2.061 0.758 0.540 0.927 0.656 CB 1.436 97 residues pruned to eliminate duplicates Z: 6 6.083 1.781 0.541 0.451 1.000 0.800 C 1.042 6 residues pruned to eliminate duplicates Z: 48 28.151 2.042 0.590 0.484 0.936 0.574 CB 1.373 48 residues pruned to eliminate duplicates Z: 12 15.865 2.039 0.945 0.495 0.818 0.727 CB 1.482 12 residues pruned to eliminate duplicates Z: 11 14.866 2.114 0.754 0.508 0.800 0.800 CB 1.572 11 residues pruned to eliminate duplicates Z: 56 45.411 2.256 0.752 0.535 0.964 0.655 CB 1.554 56 residues pruned to eliminate duplicates Z: 56 41.559 2.245 0.615 0.520 0.945 0.618 CB 1.603 56 residues pruned to eliminate duplicates Z: 56 43.776 2.276 0.609 0.519 0.964 0.655 CB 1.643 56 residues pruned to eliminate duplicates Z: 57 44.582 2.251 0.678 0.549 0.946 0.643 CB 1.589 57 residues pruned to eliminate duplicates Z: 44 42.946 2.331 0.654 0.555 0.953 0.581 CB 1.688 44 residues pruned to eliminate duplicates Z: 44 37.740 2.290 0.555 0.550 0.953 0.674 CB 1.616 44 residues pruned to eliminate duplicates Z: 43 42.035 2.309 0.671 0.565 0.976 0.643 CB 1.617 43 residues pruned to eliminate duplicates Z: 45 40.082 2.310 0.651 0.557 0.886 0.614 CB 1.692 45 residues pruned to eliminate duplicates Z: 64 46.081 2.274 0.774 0.507 0.889 0.603 CB 1.607 64 residues pruned to eliminate duplicates Z: 62 53.416 2.330 0.784 0.533 0.934 0.672 CB 1.705 62 residues pruned to eliminate duplicates Z: 42 41.735 2.316 0.675 0.573 0.927 0.634 CB 1.690 42 residues pruned to eliminate duplicates Z: 49 35.584 2.248 0.589 0.499 0.938 0.542 CB 1.536 49 residues pruned to eliminate duplicates Z: 44 43.303 2.321 0.680 0.587 0.930 0.558 CB 1.676 44 residues pruned to eliminate duplicates Z: 91 53.678 2.158 0.815 0.537 0.922 0.644 CB 1.510 91 residues pruned to eliminate duplicates Z: 62 48.298 2.310 0.673 0.536 0.934 0.623 CB 1.653 62 residues pruned to eliminate duplicates Z: 47 39.680 2.292 0.733 0.523 0.913 0.674 CB 1.577 47 residues pruned to eliminate duplicates Z: 62 48.079 2.318 0.712 0.527 0.934 0.672 CB 1.616 62 residues pruned to eliminate duplicates Z: 60 50.879 2.337 0.699 0.550 0.949 0.644 CB 1.674 60 residues pruned to eliminate duplicates Z: 60 48.175 2.336 0.668 0.531 0.915 0.576 CB 1.706 60 residues pruned to eliminate duplicates Z: 41 41.347 2.391 0.603 0.584 0.925 0.625 CB 1.701 41 residues pruned to eliminate duplicates Z: 43 41.744 2.340 0.620 0.580 0.929 0.571 CB 1.695 43 residues pruned to eliminate duplicates Z: 45 42.001 2.310 0.709 0.572 0.932 0.682 CB 1.605 45 residues pruned to eliminate duplicates Z: 60 48.012 2.304 0.759 0.548 0.932 0.576 CB 1.578 60 residues pruned to eliminate duplicates Z: 43 43.865 2.326 0.705 0.597 0.929 0.643 CB 1.675 43 residues pruned to eliminate duplicates Z: 49 38.131 2.279 0.580 0.552 0.938 0.583 CB 1.550 49 residues pruned to eliminate duplicates Z: 42 46.301 2.326 0.808 0.584 0.976 0.707 CB 1.626 42 residues pruned to eliminate duplicates Z: 71 54.540 2.318 0.759 0.549 0.943 0.643 CB 1.616 71 residues pruned to eliminate duplicates Z: 46 41.577 2.256 0.743 0.567 0.956 0.667 CB 1.547 46 residues pruned to eliminate duplicates Z: 97 51.870 2.224 0.798 0.500 0.885 0.583 CB 1.495 97 residues pruned to eliminate duplicates Z: 43 42.719 2.348 0.632 0.598 0.952 0.619 CB 1.645 43 residues pruned to eliminate duplicates Z: 93 57.196 2.178 0.851 0.558 0.957 0.630 CB 1.461 93 residues pruned to eliminate duplicates Z: 15 19.357 2.302 0.320 0.727 0.857 0.714 CB 1.618 Z: 16 22.257 2.208 0.564 0.750 0.933 0.800 CB 1.427 15 residues pruned to eliminate duplicates Z: 13 30.392 2.270 0.797 0.839 1.000 0.917 CB 1.606 14 residues pruned to eliminate duplicates Z: 12 28.612 2.432 0.487 0.861 1.000 0.909 CB 1.752 12 residues pruned to eliminate duplicates Z: 69 51.499 2.290 0.739 0.555 0.956 0.691 CB 1.555 84 residues pruned to eliminate duplicates Z: 17 28.568 2.305 0.909 0.641 0.938 0.750 CB 1.518 Z: 14 33.091 2.117 1.149 0.860 1.000 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 12 23.000 2.268 0.474 0.814 1.000 0.364 CB 1.578 12 residues pruned to eliminate duplicates Z: 54 38.172 2.249 0.697 0.525 0.887 0.547 CB 1.511 71 residues pruned to eliminate duplicates Z: 71 43.060 2.214 0.698 0.486 0.914 0.543 CB 1.519 71 residues pruned to eliminate duplicates Z: 54 43.718 2.210 0.769 0.544 0.943 0.528 CB 1.560 54 residues pruned to eliminate duplicates Z: 71 48.834 2.274 0.711 0.525 0.914 0.543 CB 1.600 71 residues pruned to eliminate duplicates Z: 68 51.394 2.307 0.761 0.551 0.925 0.642 CB 1.589 68 residues pruned to eliminate duplicates Z: 31 25.013 2.162 0.755 0.467 0.867 0.567 CB 1.437 Z: 6 10.642 2.088 0.477 0.481 1.000 0.800 CB 1.573 6 residues pruned to eliminate duplicates Z: 31 25.164 2.095 0.913 0.420 0.867 0.633 CB 1.438 32 residues pruned to eliminate duplicates Z: 6 8.285 1.915 0.362 0.562 1.000 0.400 CA 1.337 6 residues pruned to eliminate duplicates Z: 68 50.918 2.273 0.771 0.539 0.940 0.612 CB 1.581 68 residues pruned to eliminate duplicates Z: 21 18.877 2.122 0.872 0.356 0.900 0.550 CB 1.380 21 residues pruned to eliminate duplicates Z: 6 5.009 1.606 0.690 0.387 0.800 0.600 CA 1.163 6 residues pruned to eliminate duplicates Z: 19 10.834 2.054 0.733 0.268 0.833 0.500 CB 1.121 19 residues pruned to eliminate duplicates Z: 18 16.542 2.189 0.614 0.425 0.824 0.471 CB 1.492 18 residues pruned to eliminate duplicates Z: 70 41.405 2.227 0.710 0.471 0.913 0.551 CB 1.477 70 residues pruned to eliminate duplicates Z: 31 27.624 2.123 0.953 0.466 0.933 0.633 CB 1.349 29 residues pruned to eliminate duplicates 6 1.766 1.596 0.019 0.401 0.800 0.400 CB 0.674 ? Z: 6 6.928 1.931 0.237 0.464 1.000 0.800 CB 1.346 Z: 7 5.062 1.459 0.255 0.470 1.000 0.500 N 1.163 Z: 6 5.261 1.393 0.888 0.394 1.000 0.600 CB 1.000 6 residues pruned to eliminate duplicates Z: 65 47.051 2.261 0.731 0.497 0.938 0.641 CB 1.608 65 residues pruned to eliminate duplicates Z: 61 46.208 2.298 0.682 0.503 0.933 0.617 CB 1.647 61 residues pruned to eliminate duplicates Z: 93 48.971 2.145 0.732 0.522 0.913 0.641 CB 1.473 93 residues pruned to eliminate duplicates Z: 50 33.665 2.242 0.567 0.445 0.878 0.633 CB 1.650 50 residues pruned to eliminate duplicates Z: 61 45.848 2.308 0.674 0.507 0.900 0.767 CB 1.691 61 residues pruned to eliminate duplicates Z: 93 51.416 2.166 0.745 0.532 0.935 0.641 CB 1.470 93 residues pruned to eliminate duplicates Z: 7 6.424 1.987 0.155 0.454 0.833 0.333 CB 1.436 7 residues pruned to eliminate duplicates Z: 19 22.593 2.232 0.843 0.434 0.889 0.611 CB 1.559 19 residues pruned to eliminate duplicates Z: 93 49.535 2.150 0.734 0.528 0.902 0.652 CB 1.494 93 residues pruned to eliminate duplicates Z: 27 22.944 2.079 0.829 0.483 0.923 0.769 CB 1.305 27 residues pruned to eliminate duplicates Z: 19 16.624 2.146 0.751 0.448 0.889 0.667 CB 1.237 19 residues pruned to eliminate duplicates Z: 28 23.076 2.153 0.700 0.511 0.926 0.741 CB 1.296 28 residues pruned to eliminate duplicates Z: 72 47.811 2.196 0.787 0.520 0.915 0.577 CB 1.548 72 residues pruned to eliminate duplicates Z: 24 24.569 2.156 0.958 0.496 0.913 0.739 CB 1.334 24 residues pruned to eliminate duplicates Z: 19 18.565 2.119 0.971 0.414 0.889 0.500 CB 1.290 19 residues pruned to eliminate duplicates Z: 19 13.531 2.054 0.628 0.474 0.833 0.500 CB 1.175 19 residues pruned to eliminate duplicates Z: 20 13.011 2.064 0.566 0.463 0.895 0.474 CB 1.072 20 residues pruned to eliminate duplicates Z: 30 21.179 2.111 0.687 0.451 0.862 0.655 CB 1.347 30 residues pruned to eliminate duplicates Z: 16 18.439 2.073 0.662 0.410 1.000 0.533 CB 1.518 16 residues pruned to eliminate duplicates Z: 20 12.821 2.027 0.800 0.260 0.842 0.474 CB 1.259 20 residues pruned to eliminate duplicates Z: 8 4.472 1.823 0.395 0.301 0.571 0.571 CB 1.452 8 residues pruned to eliminate duplicates Z: 14 14.585 2.205 0.301 0.554 0.923 0.769 CB 1.449 14 residues pruned to eliminate duplicates Z: 6 5.516 1.807 0.563 0.357 0.800 0.800 N 1.273 6 residues pruned to eliminate duplicates Z: 13 20.470 2.276 0.614 0.617 1.000 0.667 CB 1.440 13 residues pruned to eliminate duplicates Z: 6 6.843 1.872 1.145 0.442 1.000 0.600 CA 0.809 6 residues pruned to eliminate duplicates Z: 9 28.810 2.362 1.040 0.758 0.875 0.750 CB 1.920 9 residues pruned to eliminate duplicates Z: 9 37.129 2.463 1.244 0.874 1.000 0.875 CB 1.728 9 residues pruned to eliminate duplicates Z: 14 12.922 2.151 0.505 0.562 0.769 0.692 CB 1.355 14 residues pruned to eliminate duplicates 370 residues left after pruning, divided into chains as follows: A: 8 B: 16 C: 92 D: 30 E: 6 F: 6 G: 199 H: 13 CC for partial structure against native data = 39.49 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.450, Connect. = 0.732 for dens.mod. cycle 1 = 0.300, Contrast = 0.517, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 0.622, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.632, Connect. = 0.790 for dens.mod. cycle 4 = 0.300, Contrast = 0.646, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 0.654, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.661, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.667, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.671, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 0.674, Connect. = 0.798 for dens.mod. cycle 10 TimeTaking 202.2