null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:16:48 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.ins Phases from ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.phi Native data from ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.hkl Listing output to ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.lst Phases output to ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.phs Poly-Ala trace output to ./2prv-1.3-parrot-noncs/2prv-1.3-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 1 Allowed origin shift code: 1 69437 Reflections read from file ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.phi 69437 Reflections read from file ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.hkl 69437 Unique data, highest resolution = 1.300 Angstroms Anisotropic scaling: intensities multiplied by -0.000317h^2 -0.000139k^2 +0.000250l^2 -0.000155kl +0.000334hl +0.000360hk 2101 Reflections with d > 1.500 and 0 in range 1.500 > d > 1.300 added Density sharpening factor set to 1.80 Fourier grid = 128 x 128 x 109 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 48 Extra Fourier layers will be generated <|E^2-1|> = 0.672 = 0.239, Contrast = 0.049, Connect. = 0.565 for dens.mod. cycle 1 = 0.242, Contrast = 0.126, Connect. = 0.591 for dens.mod. cycle 2 = 0.248, Contrast = 0.178, Connect. = 0.629 for dens.mod. cycle 3 = 0.260, Contrast = 0.253, Connect. = 0.678 for dens.mod. cycle 4 = 0.271, Contrast = 0.330, Connect. = 0.717 for dens.mod. cycle 5 = 0.278, Contrast = 0.391, Connect. = 0.743 for dens.mod. cycle 6 = 0.290, Contrast = 0.441, Connect. = 0.763 for dens.mod. cycle 7 = 0.298, Contrast = 0.481, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.512, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.539, Connect. = 0.797 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2763 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 429 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 9.756 1.923 1.411 0.518 0.667 0.333 CA 1.266 B: 10 11.278 2.036 1.121 0.407 0.778 0.556 CB 1.234 C: 13 39.182 2.218 0.932 0.923 1.000 0.917 CB 1.855 D: 14 36.184 2.140 1.229 0.926 1.000 0.923 C 1.475 E: 13 25.605 1.962 1.035 0.908 0.917 0.500 CB 1.434 F: 14 32.934 1.980 1.112 0.936 1.000 1.000 C 1.522 14 residues pruned to eliminate duplicates G: 13 25.018 1.891 1.199 0.885 1.000 0.750 CB 1.254 12 residues pruned to eliminate duplicates H: 14 24.653 2.024 1.033 0.916 1.000 0.923 CA 1.174 14 residues pruned to eliminate duplicates I: 14 32.443 2.153 1.036 0.909 0.923 0.846 C 1.579 14 residues pruned to eliminate duplicates J: 14 32.932 2.195 1.046 0.900 0.923 0.769 C 1.574 14 residues pruned to eliminate duplicates K: 14 37.813 2.095 1.313 0.900 1.000 0.923 C 1.546 14 residues pruned to eliminate duplicates L: 12 5.248 1.472 0.998 0.242 0.818 0.364 CB 0.886 11 residues pruned to eliminate duplicates M: 13 33.583 2.204 0.925 0.908 0.917 0.833 CA 1.770 13 residues pruned to eliminate duplicates N: 14 31.784 2.060 0.901 0.911 1.000 0.615 C 1.595 14 residues pruned to eliminate duplicates O: 15 26.664 2.037 0.644 0.931 1.000 0.643 CA 1.487 15 residues pruned to eliminate duplicates P: 12 26.283 2.019 0.914 0.926 1.000 0.727 CB 1.438 12 residues pruned to eliminate duplicates Q: 14 32.270 2.101 1.142 0.934 0.923 0.769 C 1.503 14 residues pruned to eliminate duplicates R: 13 25.360 1.952 0.878 0.919 1.000 0.750 CB 1.408 13 residues pruned to eliminate duplicates S: 7 10.147 1.677 1.101 0.476 1.000 0.667 CA 1.204 7 residues pruned to eliminate duplicates T: 12 34.357 2.313 0.800 0.928 1.000 0.909 CA 1.742 12 residues pruned to eliminate duplicates U: 12 17.956 1.919 0.480 0.872 0.909 0.636 CA 1.528 V: 13 26.067 1.873 0.958 0.905 1.000 0.667 C 1.460 14 residues pruned to eliminate duplicates W: 13 28.190 1.982 1.010 0.919 1.000 0.917 CB 1.439 13 residues pruned to eliminate duplicates X: 15 40.269 2.129 1.120 0.940 1.000 0.643 CB 1.656 Y: 13 24.512 1.936 0.778 0.937 1.000 0.667 CB 1.431 13 residues pruned to eliminate duplicates Z: 12 25.976 2.030 0.947 0.918 1.000 0.636 CB 1.397 13 residues pruned to eliminate duplicates Z: 15 31.741 2.125 0.893 0.945 1.000 1.000 CA 1.460 Z: 7 11.774 1.899 1.131 0.513 1.000 0.833 CB 1.173 10 residues pruned to eliminate duplicates Z: 12 29.021 2.156 1.073 0.915 0.909 0.909 CA 1.522 12 residues pruned to eliminate duplicates Z: 15 33.943 2.028 1.534 0.882 1.000 0.786 CB 1.278 Z: 10 16.718 2.092 0.337 0.921 1.000 0.889 CA 1.403 11 residues pruned to eliminate duplicates Z: 17 28.717 1.990 0.883 0.922 1.000 0.938 CA 1.348 17 residues pruned to eliminate duplicates Z: 18 22.828 1.920 0.422 0.923 1.000 0.765 CB 1.425 16 residues pruned to eliminate duplicates Z: 15 28.695 2.033 0.884 0.891 0.929 0.857 C 1.550 15 residues pruned to eliminate duplicates Z: 18 30.334 1.938 0.928 0.937 1.000 0.941 CA 1.370 17 residues pruned to eliminate duplicates Z: 8 7.251 1.561 0.827 0.443 0.857 0.429 CB 1.190 8 residues pruned to eliminate duplicates Z: 14 31.751 2.082 0.989 0.891 1.000 0.769 C 1.529 14 residues pruned to eliminate duplicates Z: 16 34.833 2.065 1.086 0.921 0.933 0.800 CA 1.574 18 residues pruned to eliminate duplicates Z: 12 20.261 1.937 0.931 0.877 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 10 14.336 1.917 0.854 0.500 0.889 0.667 CB 1.513 Z: 12 14.275 2.082 0.895 0.447 1.000 0.636 CB 1.152 Z: 12 16.015 1.908 1.030 0.517 0.909 0.455 CB 1.348 12 residues pruned to eliminate duplicates Z: 10 23.918 2.160 0.519 0.899 1.000 0.778 CA 1.736 11 residues pruned to eliminate duplicates Z: 11 14.839 2.183 0.707 0.476 0.900 0.700 CB 1.433 Z: 15 36.341 2.031 1.276 0.914 1.000 1.000 C 1.486 14 residues pruned to eliminate duplicates Z: 8 12.776 1.952 0.393 0.867 1.000 0.571 CA 1.299 7 residues pruned to eliminate duplicates Z: 15 12.365 1.829 0.832 0.401 0.857 0.500 CB 1.277 Z: 16 32.177 2.024 0.815 0.905 1.000 0.867 CA 1.609 16 residues pruned to eliminate duplicates Z: 13 32.408 2.189 1.046 0.881 0.917 0.667 CA 1.650 13 residues pruned to eliminate duplicates Z: 18 34.476 2.022 0.974 0.924 1.000 0.706 CA 1.471 16 residues pruned to eliminate duplicates Z: 14 21.511 2.001 0.699 0.877 1.000 0.923 CB 1.275 14 residues pruned to eliminate duplicates Z: 16 35.868 2.085 1.122 0.922 1.000 0.933 CA 1.472 16 residues pruned to eliminate duplicates Z: 14 29.908 2.080 1.303 0.919 1.000 0.923 CB 1.220 14 residues pruned to eliminate duplicates Z: 12 15.769 1.834 0.634 0.556 1.000 0.636 C 1.502 12 residues pruned to eliminate duplicates Z: 6 3.428 1.457 0.304 0.391 0.800 0.400 N 1.132 Z: 12 32.480 2.218 1.014 0.903 0.909 0.818 CA 1.718 12 residues pruned to eliminate duplicates Z: 11 13.863 1.800 0.859 0.764 0.800 0.700 C 1.295 11 residues pruned to eliminate duplicates Z: 15 29.855 2.061 0.947 0.934 1.000 0.857 CA 1.386 15 residues pruned to eliminate duplicates Z: 14 25.470 2.058 1.126 0.917 0.923 0.615 CB 1.235 14 residues pruned to eliminate duplicates Z: 14 22.524 2.014 0.721 0.890 1.000 0.923 CB 1.296 14 residues pruned to eliminate duplicates Z: 13 23.133 2.001 0.997 0.921 1.000 0.833 CB 1.176 Z: 10 20.870 1.961 0.875 0.795 1.000 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 13 31.115 2.034 1.444 0.915 1.000 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 13 30.852 2.174 1.058 0.915 1.000 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 14 33.656 2.121 1.001 0.888 1.000 0.846 C 1.584 14 residues pruned to eliminate duplicates Z: 16 32.848 2.058 0.864 0.935 1.000 1.000 CA 1.541 16 residues pruned to eliminate duplicates Z: 16 31.886 2.070 0.882 0.934 0.933 0.933 CA 1.579 16 residues pruned to eliminate duplicates Z: 16 35.464 2.085 0.894 0.928 1.000 0.733 CA 1.623 16 residues pruned to eliminate duplicates Z: 11 12.895 2.026 0.986 0.507 1.000 0.600 CB 1.006 11 residues pruned to eliminate duplicates Z: 9 9.236 1.873 0.457 0.778 0.875 0.500 CB 1.070 9 residues pruned to eliminate duplicates Z: 16 12.754 1.896 0.798 0.423 0.867 0.533 CB 1.208 12 residues pruned to eliminate duplicates Z: 11 18.363 2.050 0.342 0.868 1.000 0.700 CA 1.542 11 residues pruned to eliminate duplicates Z: 13 27.766 2.146 0.787 0.932 0.917 0.917 CA 1.592 13 residues pruned to eliminate duplicates Z: 15 43.886 2.108 1.425 0.921 1.000 0.500 CA 1.615 14 residues pruned to eliminate duplicates Z: 14 28.421 2.023 1.272 0.922 1.000 0.769 CB 1.206 14 residues pruned to eliminate duplicates Z: 16 29.609 2.038 0.746 0.930 1.000 0.867 CA 1.503 16 residues pruned to eliminate duplicates Z: 17 31.984 2.058 0.897 0.921 0.938 0.875 CA 1.537 17 residues pruned to eliminate duplicates Z: 13 22.652 2.104 0.569 0.917 1.000 0.917 CB 1.399 13 residues pruned to eliminate duplicates Z: 15 30.854 2.042 0.995 0.894 0.929 0.786 CA 1.564 15 residues pruned to eliminate duplicates Z: 31 15.994 1.941 0.508 0.487 0.800 0.600 CB 1.263 32 residues pruned to eliminate duplicates Z: 16 33.555 2.058 0.903 0.913 1.000 0.933 CA 1.565 16 residues pruned to eliminate duplicates Z: 15 28.902 2.107 0.816 0.933 1.000 1.000 CA 1.409 15 residues pruned to eliminate duplicates Z: 13 33.391 2.136 1.018 0.914 1.000 0.917 CA 1.581 13 residues pruned to eliminate duplicates Z: 16 30.413 2.090 0.793 0.943 1.000 1.000 CA 1.452 16 residues pruned to eliminate duplicates Z: 9 16.226 2.086 0.987 0.663 1.000 1.000 CB 1.190 12 residues pruned to eliminate duplicates Z: 12 40.338 2.198 1.599 0.937 1.000 0.727 CA 1.481 12 residues pruned to eliminate duplicates Z: 10 10.550 1.723 1.015 0.387 0.889 0.778 CB 1.285 Z: 10 13.436 1.856 0.320 0.920 1.000 0.889 CA 1.287 Z: 13 25.719 1.973 1.139 0.936 1.000 0.583 CB 1.224 13 residues pruned to eliminate duplicates Z: 17 31.671 1.987 1.042 0.929 0.938 0.625 CB 1.457 17 residues pruned to eliminate duplicates Z: 6 6.673 1.743 0.721 0.434 0.800 0.400 CB 1.331 6 residues pruned to eliminate duplicates Z: 15 30.401 2.060 0.668 0.933 1.000 0.857 CB 1.650 15 residues pruned to eliminate duplicates Z: 11 7.790 1.644 0.738 0.339 0.800 0.700 CA 1.284 11 residues pruned to eliminate duplicates Z: 15 29.495 1.975 0.921 0.920 1.000 0.929 CA 1.464 15 residues pruned to eliminate duplicates Z: 17 10.690 1.896 0.531 0.372 0.812 0.438 CB 1.299 20 residues pruned to eliminate duplicates Z: 15 26.110 2.080 0.650 0.920 1.000 0.929 CA 1.432 15 residues pruned to eliminate duplicates Z: 10 12.878 1.843 0.317 0.912 1.000 0.889 CA 1.252 10 residues pruned to eliminate duplicates Z: 10 22.198 2.083 0.534 0.910 1.000 0.778 CA 1.642 10 residues pruned to eliminate duplicates Z: 9 12.348 1.912 0.713 0.513 0.875 0.625 CB 1.503 9 residues pruned to eliminate duplicates Z: 17 30.208 2.052 0.674 0.933 1.000 1.000 CA 1.535 17 residues pruned to eliminate duplicates Z: 13 29.588 2.028 1.333 0.927 1.000 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 16 26.868 1.986 0.942 0.921 1.000 0.667 CA 1.266 16 residues pruned to eliminate duplicates Z: 14 12.189 2.091 0.897 0.567 0.846 0.769 CB 0.943 11 residues pruned to eliminate duplicates Z: 18 30.839 2.005 0.787 0.939 1.000 0.941 CA 1.451 18 residues pruned to eliminate duplicates Z: 15 27.421 2.122 0.644 0.933 1.000 0.929 CA 1.466 15 residues pruned to eliminate duplicates Z: 22 12.548 1.994 0.752 0.430 0.762 0.524 CB 1.107 22 residues pruned to eliminate duplicates Z: 32 25.126 2.141 0.727 0.514 0.903 0.645 CB 1.333 35 residues pruned to eliminate duplicates Z: 8 9.767 1.787 0.525 0.883 1.000 0.857 CA 0.979 8 residues pruned to eliminate duplicates Z: 6 13.756 2.155 0.248 0.872 1.000 1.000 CA 1.669 6 residues pruned to eliminate duplicates Z: 18 32.492 1.965 0.940 0.945 1.000 0.882 CB 1.431 18 residues pruned to eliminate duplicates Z: 6 4.204 1.547 0.438 0.437 0.800 0.400 CA 1.127 Z: 12 19.054 2.123 1.081 0.497 0.909 0.636 CB 1.434 12 residues pruned to eliminate duplicates Z: 12 13.040 1.993 0.520 0.553 0.909 0.636 CB 1.355 12 residues pruned to eliminate duplicates Z: 13 14.286 1.658 0.536 0.886 1.000 0.917 C 1.168 13 residues pruned to eliminate duplicates Z: 15 34.641 2.143 0.979 0.954 1.000 1.000 CA 1.502 15 residues pruned to eliminate duplicates Z: 11 9.758 1.684 0.528 0.876 1.000 0.900 CA 0.872 11 residues pruned to eliminate duplicates Z: 11 18.280 2.090 0.732 0.572 1.000 0.800 CB 1.490 12 residues pruned to eliminate duplicates Z: 7 17.517 1.953 1.054 0.696 1.000 0.833 CB 1.491 8 residues pruned to eliminate duplicates Z: 15 31.504 2.073 1.025 0.926 1.000 0.786 CA 1.407 15 residues pruned to eliminate duplicates Z: 18 25.624 1.921 0.687 0.896 0.941 0.882 CA 1.460 18 residues pruned to eliminate duplicates Z: 11 20.679 1.985 0.729 0.918 0.900 0.800 CA 1.493 10 residues pruned to eliminate duplicates Z: 14 25.985 1.982 1.047 0.916 1.000 0.846 CB 1.254 14 residues pruned to eliminate duplicates Z: 8 8.738 1.971 0.655 0.411 1.000 1.000 CB 1.111 7 residues pruned to eliminate duplicates Z: 13 21.236 1.891 0.732 0.919 1.000 0.917 CB 1.319 12 residues pruned to eliminate duplicates Z: 6 5.517 1.424 0.149 0.884 1.000 1.000 C 1.090 Z: 8 7.709 1.750 1.070 0.463 0.714 0.429 CB 1.170 9 residues pruned to eliminate duplicates Z: 11 10.836 1.688 0.703 0.834 0.800 0.600 CA 1.117 11 residues pruned to eliminate duplicates Z: 9 9.824 1.841 0.970 0.533 0.875 0.875 CB 1.059 Z: 9 6.662 1.768 0.250 0.642 0.875 0.750 CB 1.067 9 residues pruned to eliminate duplicates Z: 6 6.857 1.463 0.242 0.875 1.000 0.800 CB 1.227 6 residues pruned to eliminate duplicates Z: 14 30.743 2.071 1.284 0.883 0.923 0.846 C 1.412 14 residues pruned to eliminate duplicates Z: 9 8.760 1.831 0.586 0.407 0.875 0.625 CB 1.344 9 residues pruned to eliminate duplicates Z: 12 23.553 2.006 1.297 0.927 1.000 0.909 CB 1.080 12 residues pruned to eliminate duplicates Z: 15 13.699 1.913 0.740 0.498 0.857 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 10 7.289 1.685 0.851 0.333 0.778 0.444 C 1.201 10 residues pruned to eliminate duplicates Z: 16 18.239 1.899 0.760 0.837 0.933 0.733 CB 1.129 15 residues pruned to eliminate duplicates Z: 7 5.129 1.892 0.361 0.362 1.000 0.667 CB 0.943 Z: 7 8.219 1.724 0.768 0.550 0.833 0.500 CB 1.258 7 residues pruned to eliminate duplicates Z: 13 18.654 1.909 0.770 0.876 1.000 1.000 CB 1.158 13 residues pruned to eliminate duplicates Z: 41 43.014 2.109 1.208 0.662 0.925 0.675 CB 1.359 53 residues pruned to eliminate duplicates Z: 17 36.135 2.066 0.910 0.931 1.000 0.938 CA 1.600 17 residues pruned to eliminate duplicates Z: 16 32.848 2.015 0.857 0.937 1.000 0.867 CA 1.577 16 residues pruned to eliminate duplicates Z: 14 21.859 1.834 0.816 0.873 1.000 0.692 CB 1.325 14 residues pruned to eliminate duplicates Z: 16 30.357 1.996 1.122 0.923 1.000 0.733 CA 1.301 16 residues pruned to eliminate duplicates Z: 6 21.254 2.306 1.201 0.674 1.000 1.000 CB 1.595 6 residues pruned to eliminate duplicates Z: 18 33.920 1.977 1.072 0.934 1.000 0.824 CB 1.400 18 residues pruned to eliminate duplicates Z: 13 22.951 1.873 1.248 0.911 1.000 0.500 CB 1.115 13 residues pruned to eliminate duplicates Z: 10 8.567 1.759 0.700 0.308 0.889 0.556 C 1.329 9 residues pruned to eliminate duplicates Z: 7 7.328 2.227 0.473 0.162 0.833 0.500 CB 1.652 4 residues pruned to eliminate duplicates Z: 17 37.992 2.101 0.996 0.946 1.000 0.688 CB 1.566 17 residues pruned to eliminate duplicates Z: 11 13.880 1.755 0.642 0.863 0.900 0.700 C 1.242 11 residues pruned to eliminate duplicates Z: 14 15.535 1.822 0.369 0.882 0.923 0.923 CB 1.354 14 residues pruned to eliminate duplicates Z: 14 43.001 2.143 1.274 0.939 1.000 1.000 CA 1.701 Z: 15 10.497 1.519 0.320 0.852 1.000 0.929 CB 1.035 6 residues pruned to eliminate duplicates Z: 14 9.058 1.860 0.513 0.334 0.846 0.462 CB 1.265 7 residues pruned to eliminate duplicates Z: 20 29.365 2.265 0.823 0.598 0.895 0.737 CB 1.661 29 residues pruned to eliminate duplicates Z: 10 6.323 1.926 0.115 0.303 0.889 0.556 CB 1.376 6 residues pruned to eliminate duplicates Z: 13 12.661 1.630 0.832 0.614 0.917 0.750 CB 1.198 11 residues pruned to eliminate duplicates Z: 13 19.804 1.897 1.018 0.907 1.000 0.917 CB 1.061 13 residues pruned to eliminate duplicates Z: 16 29.069 1.999 0.937 0.938 1.000 0.867 CA 1.348 16 residues pruned to eliminate duplicates Z: 11 9.654 1.639 0.809 0.625 0.800 0.800 CB 1.144 11 residues pruned to eliminate duplicates Z: 7 6.684 1.689 0.576 0.574 0.833 0.667 CB 1.145 6 residues pruned to eliminate duplicates Z: 8 7.980 1.590 0.346 0.859 0.857 0.714 C 1.210 8 residues pruned to eliminate duplicates Z: 13 7.214 1.719 0.441 0.320 0.917 0.417 CB 1.119 10 residues pruned to eliminate duplicates Z: 16 10.790 1.815 0.757 0.294 0.933 0.667 CB 1.180 21 residues pruned to eliminate duplicates Z: 20 29.471 2.231 0.777 0.597 0.947 0.579 CA 1.641 20 residues pruned to eliminate duplicates Z: 6 3.089 1.362 0.681 0.355 0.800 0.400 CB 0.883 Z: 16 35.619 2.036 0.945 0.921 1.000 0.867 CA 1.634 16 residues pruned to eliminate duplicates Z: 15 17.223 1.756 0.571 0.869 1.000 0.714 CB 1.218 13 residues pruned to eliminate duplicates Z: 12 24.314 2.044 0.727 0.916 1.000 1.000 CB 1.466 12 residues pruned to eliminate duplicates Z: 13 25.154 1.932 0.838 0.930 1.000 0.750 CB 1.430 15 residues pruned to eliminate duplicates Z: 6 10.325 1.783 0.787 0.580 1.000 0.600 N 1.342 Z: 12 25.465 2.002 1.519 0.662 0.909 0.364 CB 1.441 12 residues pruned to eliminate duplicates Z: 14 34.812 2.070 1.100 0.892 1.000 0.923 C 1.595 14 residues pruned to eliminate duplicates Z: 7 4.802 1.635 0.763 0.340 0.833 0.500 CB 0.971 Z: 6 4.883 1.506 0.756 0.453 0.800 0.600 N 1.083 Z: 8 19.843 2.132 0.422 0.861 1.000 0.714 CA 1.817 8 residues pruned to eliminate duplicates Z: 6 3.778 1.704 0.239 0.321 0.800 0.600 CB 1.218 Z: 16 11.270 1.819 1.029 0.395 0.800 0.467 CB 1.102 17 residues pruned to eliminate duplicates 6 1.975 1.365 0.306 0.380 0.800 0.800 CB 0.704 ? Z: 11 19.684 1.990 0.950 0.531 1.000 0.700 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 25.385 2.019 0.683 0.919 1.000 1.000 CA 1.459 14 residues pruned to eliminate duplicates Z: 10 8.846 1.765 0.590 0.366 1.000 0.778 CA 1.213 10 residues pruned to eliminate duplicates Z: 15 22.982 1.891 0.945 0.873 1.000 0.643 CB 1.216 15 residues pruned to eliminate duplicates Z: 13 21.564 2.017 0.877 0.910 1.000 0.917 CB 1.166 13 residues pruned to eliminate duplicates Z: 13 22.551 1.910 1.068 0.911 1.000 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 6 5.078 1.808 0.305 0.328 0.800 0.400 CB 1.454 6 residues pruned to eliminate duplicates Z: 13 27.677 2.067 0.926 0.917 1.000 0.583 CA 1.417 13 residues pruned to eliminate duplicates Z: 16 33.139 2.034 1.151 0.954 1.000 1.000 CA 1.345 16 residues pruned to eliminate duplicates Z: 13 39.001 2.121 1.409 0.922 0.917 0.583 C 1.690 14 residues pruned to eliminate duplicates Z: 31 23.330 1.819 0.868 0.674 0.933 0.633 CB 1.144 23 residues pruned to eliminate duplicates Z: 7 10.536 1.683 0.514 0.636 1.000 0.833 N 1.486 6 residues pruned to eliminate duplicates Z: 14 17.452 1.812 0.963 0.852 0.923 0.923 CB 1.091 14 residues pruned to eliminate duplicates Z: 12 21.629 1.939 1.280 0.876 1.000 0.636 CB 1.072 12 residues pruned to eliminate duplicates Z: 14 8.746 1.613 0.361 0.620 0.923 0.692 CB 1.068 14 residues pruned to eliminate duplicates Z: 14 16.217 1.943 0.894 0.837 0.923 0.846 CB 0.991 14 residues pruned to eliminate duplicates Z: 7 2.287 1.285 0.309 0.282 0.667 0.333 O 1.065 Z: 16 26.513 1.991 0.871 0.940 1.000 0.933 CA 1.276 16 residues pruned to eliminate duplicates Z: 14 15.967 1.955 0.983 0.560 0.846 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 18 15.626 1.785 0.946 0.708 0.882 0.765 CB 1.024 18 residues pruned to eliminate duplicates Z: 42 29.933 2.023 0.754 0.591 0.927 0.561 CB 1.302 42 residues pruned to eliminate duplicates Z: 14 24.356 1.902 0.994 0.927 1.000 0.923 CB 1.248 15 residues pruned to eliminate duplicates Z: 16 11.048 1.725 0.358 0.471 1.000 0.600 CB 1.254 17 residues pruned to eliminate duplicates Z: 13 20.026 1.970 0.568 0.762 1.000 0.833 CA 1.482 13 residues pruned to eliminate duplicates Z: 15 3.749 1.535 0.307 0.248 0.643 0.357 CB 1.038 15 residues pruned to eliminate duplicates Z: 7 13.730 2.027 0.493 0.716 1.000 0.833 CB 1.523 7 residues pruned to eliminate duplicates Z: 25 33.541 2.064 0.931 0.603 0.917 0.667 CB 1.699 22 residues pruned to eliminate duplicates Z: 8 13.729 1.962 0.575 0.539 1.000 0.857 CB 1.616 10 residues pruned to eliminate duplicates Z: 13 6.718 1.569 0.572 0.261 0.833 0.583 CA 1.240 13 residues pruned to eliminate duplicates Z: 6 8.471 1.693 0.749 0.676 1.000 1.000 CA 1.088 6 residues pruned to eliminate duplicates Z: 10 4.339 1.587 0.336 0.224 0.667 0.444 N 1.413 6 residues pruned to eliminate duplicates Z: 8 10.204 1.557 0.736 0.734 1.000 0.571 CA 1.157 7 residues pruned to eliminate duplicates Z: 14 29.624 1.938 1.681 0.926 0.923 0.692 CA 1.202 14 residues pruned to eliminate duplicates Z: 14 21.603 1.950 0.910 0.895 1.000 0.846 CB 1.154 14 residues pruned to eliminate duplicates Z: 6 3.568 1.698 0.145 0.580 0.800 0.800 CB 0.950 6 residues pruned to eliminate duplicates Z: 7 8.445 1.680 0.971 0.527 1.000 0.500 CB 1.014 7 residues pruned to eliminate duplicates Z: 32 33.431 2.106 1.132 0.611 0.903 0.710 CB 1.333 32 residues pruned to eliminate duplicates Z: 12 24.078 2.035 0.983 0.905 1.000 1.000 CB 1.280 12 residues pruned to eliminate duplicates Z: 7 3.214 1.288 0.480 0.313 0.833 0.667 N 1.015 Z: 24 29.568 1.971 0.865 0.669 0.913 0.739 CA 1.571 24 residues pruned to eliminate duplicates Z: 7 3.767 1.335 0.588 0.522 0.833 0.500 N 0.852 Z: 17 18.513 1.706 0.749 0.828 1.000 0.625 CA 1.169 18 residues pruned to eliminate duplicates Z: 10 2.646 1.204 0.543 0.261 0.889 0.667 CA 0.703 Z: 16 35.047 1.989 0.982 0.927 1.000 0.800 CA 1.609 16 residues pruned to eliminate duplicates Z: 6 3.308 1.298 0.490 0.646 0.800 0.400 N 0.835 6 0.946 1.102 0.482 0.383 0.800 0.400 N 0.367 ? Z: 20 14.350 1.690 0.781 0.643 0.842 0.579 CB 1.136 20 residues pruned to eliminate duplicates Z: 15 10.848 1.737 0.818 0.335 0.786 0.571 C 1.399 29 residues pruned to eliminate duplicates Z: 24 28.766 2.097 1.038 0.665 0.870 0.696 CB 1.386 25 residues pruned to eliminate duplicates Z: 19 24.404 2.056 1.235 0.514 0.944 0.667 CB 1.307 19 residues pruned to eliminate duplicates Z: 12 15.188 2.069 1.311 0.564 0.909 0.818 CB 0.990 12 residues pruned to eliminate duplicates Z: 15 9.336 1.838 0.439 0.320 0.857 0.429 CB 1.342 9 residues pruned to eliminate duplicates Z: 14 33.076 2.080 1.110 0.918 1.000 0.923 CA 1.473 Z: 17 24.922 1.998 1.269 0.485 0.938 0.500 CA 1.487 23 residues pruned to eliminate duplicates Z: 15 16.204 1.822 1.029 0.731 0.929 0.714 CB 1.025 15 residues pruned to eliminate duplicates Z: 17 27.209 1.950 0.922 0.917 1.000 0.812 CA 1.281 17 residues pruned to eliminate duplicates Z: 6 2.327 1.283 1.051 0.385 0.600 0.400 N 0.745 Z: 6 4.916 1.258 0.765 0.813 1.000 1.000 C 0.754 Z: 8 2.713 1.270 0.286 0.390 1.000 0.571 N 0.705 Z: 7 3.275 1.527 0.373 0.439 0.667 0.500 N 1.019 Z: 21 12.055 1.610 0.650 0.631 0.900 0.750 CB 0.996 21 residues pruned to eliminate duplicates Z: 12 2.289 1.075 0.464 0.227 0.818 0.273 N 0.738 Z: 15 31.890 2.096 0.936 0.905 0.929 0.714 CA 1.609 15 residues pruned to eliminate duplicates Z: 20 21.506 2.030 0.718 0.523 0.947 0.579 CB 1.460 16 residues pruned to eliminate duplicates Z: 18 13.206 1.541 0.682 0.853 0.941 0.765 CB 0.970 17 residues pruned to eliminate duplicates Z: 17 35.665 2.131 1.244 0.666 0.938 0.750 C 1.706 17 residues pruned to eliminate duplicates Z: 12 6.647 1.618 0.420 0.469 0.818 0.636 CB 1.100 12 residues pruned to eliminate duplicates Z: 28 19.147 1.909 0.663 0.552 0.963 0.704 CB 1.146 28 residues pruned to eliminate duplicates Z: 6 4.081 1.181 0.651 0.571 1.000 0.800 CB 0.874 Z: 16 28.372 2.023 1.012 0.827 1.000 0.733 CB 1.356 16 residues pruned to eliminate duplicates 231 residues left after pruning, divided into chains as follows: A: 18 B: 25 C: 10 D: 11 E: 48 F: 26 G: 15 H: 36 I: 36 J: 6 CC for partial structure against native data = 27.37 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.400, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.564, Connect. = 0.818 for dens.mod. cycle 3 = 0.300, Contrast = 0.577, Connect. = 0.825 for dens.mod. cycle 4 = 0.300, Contrast = 0.590, Connect. = 0.831 for dens.mod. cycle 5 = 0.300, Contrast = 0.598, Connect. = 0.835 for dens.mod. cycle 6 = 0.300, Contrast = 0.605, Connect. = 0.838 for dens.mod. cycle 7 = 0.300, Contrast = 0.609, Connect. = 0.840 for dens.mod. cycle 8 = 0.300, Contrast = 0.613, Connect. = 0.841 for dens.mod. cycle 9 = 0.300, Contrast = 0.615, Connect. = 0.842 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2155 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 423 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 39.739 2.401 0.797 0.834 1.000 0.786 C 1.845 B: 14 45.264 2.426 0.941 0.886 1.000 0.923 C 1.923 14 residues pruned to eliminate duplicates C: 12 40.181 2.589 0.569 0.902 1.000 0.909 C 2.128 12 residues pruned to eliminate duplicates D: 13 49.367 2.600 0.795 0.910 1.000 0.833 CA 2.165 14 residues pruned to eliminate duplicates E: 19 43.512 2.433 0.674 0.919 1.000 0.778 CA 1.774 F: 15 40.738 2.354 0.762 0.846 1.000 0.857 C 1.950 15 residues pruned to eliminate duplicates G: 16 54.309 2.440 1.421 0.821 0.933 0.733 CA 1.926 H: 14 37.003 2.256 0.945 0.930 1.000 0.769 CB 1.636 I: 15 41.111 2.432 0.891 0.893 0.857 0.786 C 2.002 15 residues pruned to eliminate duplicates J: 19 44.525 2.478 0.679 0.911 1.000 0.889 CA 1.788 19 residues pruned to eliminate duplicates K: 14 44.386 2.537 0.842 0.902 0.923 0.923 C 2.035 15 residues pruned to eliminate duplicates L: 12 44.374 2.514 1.004 0.930 1.000 0.818 CB 1.857 13 residues pruned to eliminate duplicates M: 31 43.160 2.524 0.876 0.533 0.833 0.700 CB 1.933 13 residues pruned to eliminate duplicates N: 15 56.641 2.479 1.128 0.911 1.000 0.857 CA 2.034 16 residues pruned to eliminate duplicates O: 12 43.647 2.498 1.041 0.917 1.000 0.545 CB 1.821 12 residues pruned to eliminate duplicates P: 15 52.879 2.501 0.916 0.905 1.000 0.857 CA 2.099 15 residues pruned to eliminate duplicates Q: 26 45.950 2.569 1.031 0.560 0.840 0.720 CB 1.979 18 residues pruned to eliminate duplicates R: 16 53.981 2.414 1.168 0.877 0.933 0.800 CA 2.071 16 residues pruned to eliminate duplicates S: 16 45.156 2.279 0.967 0.909 1.000 0.933 CA 1.847 16 residues pruned to eliminate duplicates T: 17 48.769 2.570 0.701 0.911 1.000 0.875 CA 1.977 19 residues pruned to eliminate duplicates U: 14 36.313 2.446 1.012 0.918 1.000 0.923 CB 1.443 V: 19 47.941 2.491 0.702 0.924 1.000 0.944 CA 1.871 19 residues pruned to eliminate duplicates W: 11 42.024 2.468 1.090 0.931 1.000 0.500 CB 1.800 11 residues pruned to eliminate duplicates X: 14 47.407 2.453 1.268 0.933 1.000 1.000 CB 1.650 14 residues pruned to eliminate duplicates Y: 14 55.056 2.523 1.173 0.911 1.000 0.923 CA 1.974 14 residues pruned to eliminate duplicates Z: 16 53.199 2.339 1.267 0.844 1.000 0.800 C 1.927 16 residues pruned to eliminate duplicates Z: 13 27.534 2.140 0.721 0.872 1.000 0.917 CB 1.573 Z: 15 59.240 2.453 1.328 0.907 1.000 0.857 CB 1.971 15 residues pruned to eliminate duplicates Z: 18 51.876 2.469 0.810 0.930 1.000 0.765 CB 1.969 Z: 18 46.981 2.491 0.658 0.939 1.000 0.941 CA 1.918 18 residues pruned to eliminate duplicates Z: 14 52.892 2.545 1.195 0.902 0.923 0.923 CA 2.029 14 residues pruned to eliminate duplicates Z: 14 46.747 2.482 0.808 0.925 1.000 1.000 CA 2.028 14 residues pruned to eliminate duplicates Z: 18 58.321 2.485 0.937 0.948 1.000 0.941 CA 2.030 18 residues pruned to eliminate duplicates Z: 18 56.323 2.485 0.915 0.942 1.000 0.882 CB 1.991 18 residues pruned to eliminate duplicates Z: 13 45.844 2.563 1.220 0.928 1.000 0.667 CB 1.628 13 residues pruned to eliminate duplicates Z: 16 39.168 2.376 0.947 0.782 0.867 0.800 C 1.968 16 residues pruned to eliminate duplicates Z: 14 54.969 2.578 1.192 0.923 0.923 0.769 CA 2.053 14 residues pruned to eliminate duplicates Z: 18 50.288 2.461 0.706 0.948 1.000 0.882 CA 2.005 18 residues pruned to eliminate duplicates Z: 14 46.149 2.522 0.916 0.932 0.923 0.692 CA 2.004 14 residues pruned to eliminate duplicates Z: 12 24.315 2.165 0.326 0.892 1.000 0.909 C 1.835 12 residues pruned to eliminate duplicates Z: 19 45.120 2.374 0.661 0.952 1.000 1.000 CB 1.858 19 residues pruned to eliminate duplicates Z: 14 42.271 2.466 1.107 0.945 1.000 0.846 CB 1.561 14 residues pruned to eliminate duplicates Z: 19 45.668 2.429 0.773 0.924 1.000 0.833 CA 1.754 19 residues pruned to eliminate duplicates Z: 12 28.544 2.153 0.804 0.867 1.000 0.727 C 1.621 12 residues pruned to eliminate duplicates Z: 12 32.361 2.365 0.586 0.889 1.000 0.909 C 1.874 13 residues pruned to eliminate duplicates Z: 14 51.803 2.549 1.147 0.919 0.923 0.923 CA 2.003 14 residues pruned to eliminate duplicates Z: 18 58.926 2.481 0.987 0.941 1.000 0.824 CB 2.013 18 residues pruned to eliminate duplicates Z: 14 57.177 2.589 1.231 0.940 0.923 0.923 C 2.066 27 residues pruned to eliminate duplicates Z: 12 31.533 2.342 0.582 0.858 1.000 0.818 CB 1.889 11 residues pruned to eliminate duplicates Z: 12 18.701 2.172 0.332 0.865 0.909 0.909 CB 1.571 12 residues pruned to eliminate duplicates Z: 12 28.015 2.213 0.461 0.888 1.000 1.000 C 1.882 12 residues pruned to eliminate duplicates Z: 12 28.811 2.269 0.485 0.901 1.000 1.000 CA 1.840 12 residues pruned to eliminate duplicates Z: 16 34.648 2.062 0.975 0.891 1.000 0.733 CB 1.579 Z: 18 52.328 2.495 0.735 0.956 1.000 0.941 CB 2.014 18 residues pruned to eliminate duplicates Z: 20 44.953 2.380 0.747 0.869 1.000 0.842 CA 1.812 20 residues pruned to eliminate duplicates Z: 12 25.233 2.107 0.893 0.845 0.909 0.636 CA 1.560 Z: 15 33.522 2.180 0.882 0.915 0.929 0.786 CB 1.662 15 residues pruned to eliminate duplicates Z: 18 53.239 2.461 0.902 0.933 1.000 0.941 CB 1.925 17 residues pruned to eliminate duplicates Z: 12 28.590 2.154 0.743 0.901 1.000 0.727 CA 1.640 12 residues pruned to eliminate duplicates Z: 18 52.173 2.448 0.859 0.931 1.000 0.941 CB 1.943 18 residues pruned to eliminate duplicates Z: 17 49.517 2.501 0.852 0.945 1.000 0.875 CA 1.850 17 residues pruned to eliminate duplicates Z: 16 51.405 2.343 1.418 0.831 0.933 0.733 C 1.885 15 residues pruned to eliminate duplicates Z: 18 50.923 2.486 0.805 0.940 1.000 0.882 CA 1.911 18 residues pruned to eliminate duplicates Z: 18 55.912 2.491 0.903 0.935 1.000 0.941 CB 1.993 18 residues pruned to eliminate duplicates Z: 17 45.702 2.532 0.606 0.928 1.000 0.875 CB 1.968 17 residues pruned to eliminate duplicates Z: 18 51.406 2.456 0.788 0.947 1.000 0.941 CB 1.962 18 residues pruned to eliminate duplicates Z: 9 22.765 2.335 0.691 0.863 0.875 0.875 CA 1.710 9 residues pruned to eliminate duplicates Z: 15 56.754 2.382 1.271 0.893 1.000 0.857 C 2.013 15 residues pruned to eliminate duplicates Z: 17 53.554 2.530 0.850 0.931 1.000 0.875 CA 1.998 17 residues pruned to eliminate duplicates Z: 13 25.255 2.113 0.687 0.886 1.000 0.583 C 1.475 13 residues pruned to eliminate duplicates Z: 13 31.173 2.160 0.804 0.867 1.000 0.833 C 1.689 13 residues pruned to eliminate duplicates Z: 14 41.025 2.395 1.443 0.916 0.923 0.846 CB 1.488 14 residues pruned to eliminate duplicates Z: 13 32.410 2.333 0.721 0.925 1.000 1.000 CB 1.635 13 residues pruned to eliminate duplicates Z: 17 48.408 2.505 0.695 0.949 1.000 0.938 CB 1.968 17 residues pruned to eliminate duplicates Z: 18 55.190 2.545 0.863 0.949 1.000 0.882 CA 1.948 18 residues pruned to eliminate duplicates Z: 14 49.049 2.432 1.533 0.940 1.000 0.769 CB 1.534 14 residues pruned to eliminate duplicates Z: 14 40.324 2.491 0.908 0.843 0.923 0.692 C 1.899 14 residues pruned to eliminate duplicates Z: 18 54.285 2.478 0.841 0.939 1.000 0.882 CB 2.005 18 residues pruned to eliminate duplicates Z: 14 35.522 2.292 0.864 0.913 1.000 0.846 CB 1.632 15 residues pruned to eliminate duplicates Z: 14 30.316 2.229 0.779 0.928 0.923 0.692 CB 1.608 14 residues pruned to eliminate duplicates Z: 19 38.754 2.362 0.423 0.944 1.000 1.000 CB 1.882 19 residues pruned to eliminate duplicates Z: 14 51.934 2.447 1.157 0.932 1.000 0.769 CA 1.907 14 residues pruned to eliminate duplicates Z: 17 40.319 2.574 0.337 0.945 1.000 0.938 CA 2.027 17 residues pruned to eliminate duplicates Z: 13 25.288 2.053 0.515 0.922 1.000 1.000 C 1.651 13 residues pruned to eliminate duplicates Z: 18 62.124 2.462 1.122 0.937 1.000 0.941 CA 2.007 18 residues pruned to eliminate duplicates Z: 22 40.565 2.363 1.014 0.711 0.905 0.762 CB 1.698 17 residues pruned to eliminate duplicates Z: 13 37.308 2.565 0.751 0.923 1.000 0.917 CB 1.685 13 residues pruned to eliminate duplicates Z: 13 36.711 2.591 0.560 0.896 0.917 0.833 C 2.048 13 residues pruned to eliminate duplicates Z: 19 45.483 2.465 0.666 0.906 1.000 0.944 CA 1.857 19 residues pruned to eliminate duplicates Z: 16 45.140 2.511 0.673 0.942 1.000 0.933 CA 1.924 16 residues pruned to eliminate duplicates Z: 7 15.506 2.287 1.751 0.544 0.667 0.667 CB 1.446 7 residues pruned to eliminate duplicates Z: 32 26.931 2.223 0.611 0.465 0.839 0.452 CB 1.668 Z: 14 40.571 2.472 0.793 0.911 0.923 0.769 C 1.948 14 residues pruned to eliminate duplicates Z: 18 41.407 2.478 0.502 0.915 1.000 0.824 CA 1.907 18 residues pruned to eliminate duplicates Z: 18 47.608 2.392 0.924 0.916 0.941 0.882 CA 1.883 18 residues pruned to eliminate duplicates Z: 17 54.939 2.488 0.908 0.936 1.000 0.750 CB 2.015 17 residues pruned to eliminate duplicates Z: 17 56.234 2.544 0.908 0.952 1.000 0.875 CA 1.994 17 residues pruned to eliminate duplicates Z: 18 52.235 2.507 0.789 0.943 1.000 0.882 CB 1.957 18 residues pruned to eliminate duplicates Z: 15 58.847 2.676 0.906 0.952 1.000 1.000 CA 2.123 15 residues pruned to eliminate duplicates Z: 13 33.364 2.272 1.106 0.882 0.917 0.500 CB 1.590 12 residues pruned to eliminate duplicates Z: 12 24.639 2.153 0.712 0.839 0.909 0.636 CA 1.656 12 residues pruned to eliminate duplicates Z: 53 42.160 2.323 0.873 0.450 0.865 0.558 CB 1.635 43 residues pruned to eliminate duplicates Z: 16 26.155 1.903 0.747 0.872 1.000 0.800 CB 1.481 Z: 12 23.757 2.050 0.698 0.875 1.000 0.727 C 1.497 12 residues pruned to eliminate duplicates Z: 17 54.035 2.544 0.843 0.946 1.000 0.875 CB 1.993 17 residues pruned to eliminate duplicates Z: 55 38.579 2.349 0.811 0.435 0.815 0.481 CB 1.620 55 residues pruned to eliminate duplicates Z: 13 19.007 2.095 0.428 0.864 1.000 0.750 CA 1.344 13 residues pruned to eliminate duplicates Z: 14 38.913 2.283 1.172 0.941 1.000 0.692 CB 1.511 14 residues pruned to eliminate duplicates Z: 35 41.627 2.306 0.654 0.658 0.971 0.735 CB 1.666 30 residues pruned to eliminate duplicates Z: 14 16.261 2.193 1.056 0.391 0.769 0.462 CB 1.458 14 residues pruned to eliminate duplicates Z: 13 17.752 1.970 0.394 0.824 0.917 0.833 C 1.537 13 residues pruned to eliminate duplicates Z: 16 43.708 2.340 0.964 0.860 0.933 0.733 CB 1.935 16 residues pruned to eliminate duplicates Z: 14 29.832 2.436 0.687 0.896 1.000 0.846 CB 1.442 14 residues pruned to eliminate duplicates Z: 11 12.708 2.230 0.988 0.310 0.800 0.300 CB 1.399 9 residues pruned to eliminate duplicates Z: 17 54.718 2.557 0.819 0.950 1.000 0.875 CB 2.029 17 residues pruned to eliminate duplicates Z: 12 16.717 1.946 0.362 0.879 1.000 0.909 CA 1.379 12 residues pruned to eliminate duplicates Z: 11 30.909 2.295 0.766 0.864 1.000 0.900 CA 1.768 12 residues pruned to eliminate duplicates Z: 12 24.324 2.126 0.765 0.817 0.909 0.909 C 1.632 12 residues pruned to eliminate duplicates Z: 19 49.438 2.472 0.861 0.917 1.000 0.722 CA 1.787 18 residues pruned to eliminate duplicates Z: 18 52.209 2.469 0.853 0.931 1.000 0.882 CB 1.933 18 residues pruned to eliminate duplicates Z: 18 35.862 2.173 0.823 0.832 1.000 0.824 CA 1.649 16 residues pruned to eliminate duplicates Z: 14 48.177 2.593 0.987 0.927 0.923 0.692 C 1.969 14 residues pruned to eliminate duplicates Z: 13 15.516 2.302 0.643 0.435 0.917 0.417 CB 1.382 Z: 12 20.162 2.057 0.462 0.866 1.000 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 13 10.145 2.207 0.560 0.429 0.667 0.500 CB 1.373 13 residues pruned to eliminate duplicates Z: 13 27.647 2.405 0.411 0.918 1.000 0.833 CB 1.658 13 residues pruned to eliminate duplicates Z: 11 27.643 2.177 0.746 0.923 1.000 0.900 CA 1.616 11 residues pruned to eliminate duplicates Z: 59 70.240 2.371 0.961 0.648 0.948 0.655 CB 1.823 45 residues pruned to eliminate duplicates Z: 14 23.284 2.415 0.924 0.453 0.846 0.692 CB 1.723 14 residues pruned to eliminate duplicates Z: 14 38.238 2.456 0.928 0.923 1.000 0.923 CB 1.574 14 residues pruned to eliminate duplicates Z: 11 25.449 2.330 0.515 0.831 1.000 0.800 CA 1.713 11 residues pruned to eliminate duplicates Z: 14 38.159 2.339 0.868 0.890 1.000 0.846 CB 1.742 14 residues pruned to eliminate duplicates Z: 10 35.472 2.508 0.797 0.862 1.000 1.000 C 1.926 10 residues pruned to eliminate duplicates Z: 11 16.082 2.144 0.840 0.433 0.800 0.700 CB 1.728 11 residues pruned to eliminate duplicates Z: 13 33.065 2.291 0.719 0.900 1.000 0.917 CB 1.732 13 residues pruned to eliminate duplicates Z: 18 41.729 2.318 0.985 0.789 0.941 0.706 CA 1.813 18 residues pruned to eliminate duplicates Z: 14 29.073 2.191 0.542 0.931 1.000 1.000 CB 1.668 14 residues pruned to eliminate duplicates Z: 13 46.722 2.487 1.343 0.936 1.000 0.667 CB 1.613 13 residues pruned to eliminate duplicates Z: 29 47.140 2.408 0.764 0.643 0.964 0.821 CA 1.904 19 residues pruned to eliminate duplicates Z: 18 53.205 2.478 0.884 0.959 1.000 1.000 CB 1.894 18 residues pruned to eliminate duplicates Z: 12 30.331 2.198 1.028 0.880 0.909 0.727 C 1.635 12 residues pruned to eliminate duplicates Z: 52 71.241 2.514 0.792 0.697 0.961 0.745 CB 1.926 52 residues pruned to eliminate duplicates Z: 14 56.817 2.544 1.464 0.905 0.923 0.846 CA 1.938 14 residues pruned to eliminate duplicates Z: 12 11.241 2.152 0.570 0.335 0.727 0.364 CB 1.651 6 residues pruned to eliminate duplicates Z: 30 45.886 2.333 0.799 0.656 0.931 0.724 CB 1.887 29 residues pruned to eliminate duplicates Z: 14 35.473 2.194 1.099 0.936 0.923 0.923 CB 1.612 14 residues pruned to eliminate duplicates Z: 12 23.851 2.157 0.723 0.861 1.000 0.727 CA 1.422 12 residues pruned to eliminate duplicates Z: 18 51.413 2.385 1.043 0.950 1.000 0.824 CA 1.765 18 residues pruned to eliminate duplicates Z: 14 34.138 2.353 0.541 0.866 1.000 0.923 CB 1.912 14 residues pruned to eliminate duplicates Z: 18 45.801 2.453 0.575 0.941 1.000 0.941 CA 1.995 18 residues pruned to eliminate duplicates Z: 16 37.241 2.178 1.027 0.898 0.933 0.800 CA 1.670 21 residues pruned to eliminate duplicates Z: 13 44.619 2.412 1.229 0.936 1.000 0.583 CB 1.669 13 residues pruned to eliminate duplicates Z: 13 51.969 2.612 1.166 0.910 0.917 0.917 C 2.052 13 residues pruned to eliminate duplicates Z: 12 25.130 2.174 0.681 0.876 1.000 0.818 CA 1.507 12 residues pruned to eliminate duplicates Z: 19 54.857 2.484 1.023 0.923 1.000 0.722 CA 1.807 23 residues pruned to eliminate duplicates Z: 14 25.507 2.204 0.531 0.859 1.000 0.769 CB 1.543 14 residues pruned to eliminate duplicates Z: 23 16.893 1.753 0.827 0.460 0.864 0.455 CB 1.356 23 residues pruned to eliminate duplicates Z: 12 27.728 2.206 0.808 0.897 0.909 0.818 C 1.651 12 residues pruned to eliminate duplicates Z: 12 26.557 2.173 0.693 0.860 1.000 0.909 CA 1.600 12 residues pruned to eliminate duplicates Z: 33 46.189 2.217 0.707 0.734 1.000 0.875 CA 1.748 33 residues pruned to eliminate duplicates Z: 15 19.972 2.227 0.814 0.428 0.857 0.571 CB 1.660 15 residues pruned to eliminate duplicates Z: 13 29.086 2.424 0.448 0.927 1.000 1.000 CB 1.677 13 residues pruned to eliminate duplicates Z: 30 41.988 2.333 0.715 0.619 0.931 0.793 CA 1.871 30 residues pruned to eliminate duplicates Z: 10 9.856 1.994 0.375 0.484 0.778 0.667 CA 1.565 10 residues pruned to eliminate duplicates Z: 12 33.024 2.191 0.865 0.885 1.000 0.909 CA 1.760 12 residues pruned to eliminate duplicates Z: 14 42.753 2.491 0.686 0.882 1.000 0.846 CB 2.044 14 residues pruned to eliminate duplicates Z: 12 28.214 2.069 0.899 0.891 1.000 0.818 C 1.556 12 residues pruned to eliminate duplicates Z: 18 33.823 2.138 0.818 0.797 1.000 0.706 CA 1.627 18 residues pruned to eliminate duplicates Z: 51 66.179 2.526 0.730 0.703 0.940 0.720 CB 1.893 51 residues pruned to eliminate duplicates Z: 52 54.909 2.322 0.716 0.694 0.922 0.745 CB 1.753 50 residues pruned to eliminate duplicates Z: 20 41.437 2.444 0.920 0.641 0.895 0.632 CB 1.985 20 residues pruned to eliminate duplicates Z: 6 8.836 1.937 0.342 0.666 1.000 0.600 CA 1.303 6 residues pruned to eliminate duplicates Z: 12 25.852 2.329 0.212 0.893 1.000 0.909 C 1.983 12 residues pruned to eliminate duplicates Z: 64 58.870 2.368 0.878 0.534 0.921 0.667 CB 1.751 62 residues pruned to eliminate duplicates Z: 14 35.162 2.308 0.828 0.920 1.000 0.923 CB 1.628 14 residues pruned to eliminate duplicates Z: 15 39.875 2.170 1.132 0.884 1.000 0.714 C 1.664 15 residues pruned to eliminate duplicates Z: 19 25.180 1.978 0.491 0.830 1.000 0.833 CB 1.514 19 residues pruned to eliminate duplicates Z: 16 28.495 1.983 0.800 0.882 1.000 0.733 CB 1.492 16 residues pruned to eliminate duplicates Z: 28 37.537 2.291 1.084 0.485 0.926 0.593 CB 1.659 28 residues pruned to eliminate duplicates Z: 18 20.050 2.096 0.919 0.468 0.765 0.529 CB 1.634 18 residues pruned to eliminate duplicates Z: 7 9.955 2.070 1.376 0.594 0.667 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 16 20.776 2.149 0.825 0.506 0.800 0.600 CA 1.699 16 residues pruned to eliminate duplicates Z: 17 62.431 2.535 1.123 0.951 1.000 0.938 CA 1.998 17 residues pruned to eliminate duplicates Z: 16 31.588 2.110 0.754 0.857 1.000 0.733 CA 1.624 16 residues pruned to eliminate duplicates Z: 14 40.198 2.427 0.716 0.887 0.923 0.923 C 2.092 14 residues pruned to eliminate duplicates Z: 18 29.515 2.116 0.688 0.829 0.941 0.706 CA 1.602 18 residues pruned to eliminate duplicates Z: 16 15.646 1.829 0.928 0.446 0.867 0.533 C 1.397 16 residues pruned to eliminate duplicates Z: 6 9.375 1.888 0.401 0.752 1.000 0.600 CB 1.266 6 residues pruned to eliminate duplicates Z: 18 28.984 2.154 0.464 0.866 1.000 0.765 CA 1.632 18 residues pruned to eliminate duplicates Z: 7 18.008 2.041 0.825 0.728 1.000 0.667 C 1.607 7 residues pruned to eliminate duplicates Z: 15 23.905 2.032 0.513 0.879 1.000 0.857 CB 1.507 15 residues pruned to eliminate duplicates Z: 14 8.706 2.195 0.307 0.361 0.769 0.462 CB 1.271 14 residues pruned to eliminate duplicates Z: 6 8.402 1.871 0.481 0.611 0.800 0.600 CB 1.525 6 residues pruned to eliminate duplicates Z: 17 30.798 2.356 0.566 0.670 0.938 0.625 CB 1.903 17 residues pruned to eliminate duplicates Z: 24 28.903 2.207 0.727 0.511 0.957 0.609 CB 1.635 24 residues pruned to eliminate duplicates Z: 32 39.418 2.222 0.886 0.600 0.935 0.613 CB 1.642 32 residues pruned to eliminate duplicates Z: 58 42.610 2.169 0.755 0.491 0.912 0.649 CB 1.641 58 residues pruned to eliminate duplicates Z: 18 27.349 2.140 0.668 0.822 0.882 0.765 CA 1.593 18 residues pruned to eliminate duplicates Z: 33 50.753 2.236 0.853 0.740 1.000 0.688 CB 1.746 33 residues pruned to eliminate duplicates Z: 25 51.606 2.520 1.128 0.593 0.875 0.708 C 2.054 20 residues pruned to eliminate duplicates Z: 40 42.190 2.317 0.868 0.489 0.872 0.615 CB 1.812 40 residues pruned to eliminate duplicates Z: 7 13.495 2.061 0.781 0.513 1.000 0.833 CB 1.481 7 residues pruned to eliminate duplicates Z: 17 49.408 2.517 0.675 0.946 1.000 0.812 CA 2.027 17 residues pruned to eliminate duplicates Z: 43 71.679 2.484 1.091 0.689 0.952 0.762 CB 1.881 43 residues pruned to eliminate duplicates Z: 30 45.643 2.307 0.833 0.650 0.931 0.793 CB 1.872 30 residues pruned to eliminate duplicates Z: 14 28.885 1.973 0.913 0.918 1.000 0.846 CB 1.497 14 residues pruned to eliminate duplicates Z: 55 67.312 2.432 0.868 0.670 0.944 0.759 CB 1.825 55 residues pruned to eliminate duplicates Z: 19 49.885 2.354 0.840 0.940 1.000 0.889 CA 1.886 19 residues pruned to eliminate duplicates Z: 6 3.987 1.704 0.182 0.582 0.800 0.400 CA 1.023 6 residues pruned to eliminate duplicates Z: 34 40.667 2.193 1.088 0.571 0.909 0.606 CB 1.588 34 residues pruned to eliminate duplicates Z: 31 24.945 1.984 0.770 0.455 0.900 0.500 CB 1.509 13 residues pruned to eliminate duplicates Z: 16 12.426 1.766 0.710 0.393 0.867 0.600 C 1.373 16 residues pruned to eliminate duplicates Z: 11 20.673 1.919 1.026 0.742 0.900 0.900 CA 1.504 11 residues pruned to eliminate duplicates Z: 11 24.497 2.005 1.156 0.651 1.000 0.900 CA 1.558 11 residues pruned to eliminate duplicates Z: 14 30.651 2.401 1.018 0.597 0.923 0.769 CB 1.733 14 residues pruned to eliminate duplicates Z: 15 34.939 2.453 0.580 0.803 0.929 0.714 CB 1.990 15 residues pruned to eliminate duplicates Z: 7 8.184 1.558 0.858 0.672 0.833 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 18 29.775 2.131 0.644 0.839 0.941 0.824 CA 1.635 18 residues pruned to eliminate duplicates Z: 14 7.529 2.047 0.479 0.263 0.615 0.385 CB 1.470 14 residues pruned to eliminate duplicates Z: 52 62.463 2.331 0.847 0.710 0.961 0.725 CB 1.747 50 residues pruned to eliminate duplicates Z: 15 23.776 1.978 0.534 0.907 0.929 0.857 CB 1.603 15 residues pruned to eliminate duplicates Z: 23 40.763 2.383 0.721 0.643 1.000 0.818 CB 1.854 23 residues pruned to eliminate duplicates Z: 7 9.677 1.804 0.974 0.518 0.833 0.500 CB 1.308 7 residues pruned to eliminate duplicates Z: 18 30.876 2.130 0.636 0.810 1.000 0.765 CA 1.641 18 residues pruned to eliminate duplicates Z: 18 31.216 2.134 0.637 0.827 1.000 0.647 CA 1.632 18 residues pruned to eliminate duplicates Z: 13 32.164 2.460 0.874 0.627 0.917 0.667 CA 1.950 13 residues pruned to eliminate duplicates Z: 14 38.924 2.304 0.706 0.910 1.000 0.846 CB 1.948 14 residues pruned to eliminate duplicates Z: 13 3.287 1.720 0.323 0.251 0.833 0.333 CB 0.667 13 residues pruned to eliminate duplicates Z: 8 9.938 2.016 0.258 0.863 1.000 0.857 CB 1.087 8 residues pruned to eliminate duplicates Z: 52 57.766 2.296 0.831 0.699 0.961 0.745 CB 1.670 52 residues pruned to eliminate duplicates Z: 14 36.190 2.325 0.643 0.885 1.000 0.846 CB 1.897 14 residues pruned to eliminate duplicates Z: 7 3.188 1.722 0.169 0.465 0.833 0.667 CB 0.804 7 residues pruned to eliminate duplicates Z: 51 61.399 2.332 0.817 0.709 0.960 0.720 CB 1.765 51 residues pruned to eliminate duplicates Z: 15 26.997 2.229 0.770 0.867 0.929 0.500 CB 1.441 15 residues pruned to eliminate duplicates Z: 36 42.208 2.368 0.777 0.490 0.943 0.514 CB 1.816 36 residues pruned to eliminate duplicates Z: 55 71.956 2.443 0.946 0.679 0.944 0.685 CB 1.849 51 residues pruned to eliminate duplicates Z: 14 14.979 1.885 0.810 0.356 0.923 0.308 CB 1.541 14 residues pruned to eliminate duplicates Z: 24 34.085 2.376 0.876 0.498 0.826 0.652 C 1.934 24 residues pruned to eliminate duplicates Z: 10 15.110 1.875 0.788 0.500 1.000 0.667 CB 1.502 10 residues pruned to eliminate duplicates Z: 18 28.408 2.153 0.521 0.845 0.941 0.824 CA 1.663 18 residues pruned to eliminate duplicates Z: 10 6.003 1.973 0.088 0.239 0.778 0.333 C 1.621 10 residues pruned to eliminate duplicates Z: 13 8.896 2.152 0.366 0.198 0.833 0.583 CB 1.501 13 residues pruned to eliminate duplicates Z: 13 22.370 2.002 0.968 0.814 0.833 0.750 C 1.497 13 residues pruned to eliminate duplicates Z: 33 49.346 2.411 0.951 0.619 0.969 0.625 CB 1.711 37 residues pruned to eliminate duplicates Z: 29 34.436 2.282 0.806 0.550 0.929 0.536 CB 1.619 29 residues pruned to eliminate duplicates Z: 19 29.762 2.055 0.659 0.836 1.000 0.611 CA 1.540 19 residues pruned to eliminate duplicates Z: 10 11.206 1.690 1.203 0.396 0.889 0.556 C 1.259 9 residues pruned to eliminate duplicates Z: 9 9.230 2.029 0.673 0.381 0.750 0.500 CB 1.455 9 residues pruned to eliminate duplicates Z: 15 23.553 2.380 0.900 0.361 0.857 0.571 CB 1.886 15 residues pruned to eliminate duplicates Z: 18 45.101 2.409 0.736 0.925 1.000 0.941 CB 1.836 18 residues pruned to eliminate duplicates Z: 13 37.599 2.411 0.741 0.914 1.000 0.750 CB 1.829 13 residues pruned to eliminate duplicates Z: 12 21.659 1.952 1.127 0.601 1.000 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 20 43.622 2.646 0.777 0.598 0.947 0.684 CB 2.046 20 residues pruned to eliminate duplicates Z: 17 36.708 2.469 0.575 0.769 0.938 0.688 CB 1.985 17 residues pruned to eliminate duplicates Z: 19 19.780 2.399 0.668 0.329 0.778 0.611 CB 1.808 19 residues pruned to eliminate duplicates Z: 9 14.584 2.410 0.746 0.404 0.750 0.375 CB 1.807 11 residues pruned to eliminate duplicates Z: 21 34.631 2.416 0.945 0.516 0.850 0.700 CB 1.908 21 residues pruned to eliminate duplicates Z: 16 37.425 2.303 0.864 0.864 0.933 0.733 CB 1.769 17 residues pruned to eliminate duplicates Z: 18 10.530 1.681 0.888 0.486 0.765 0.647 CB 1.067 18 residues pruned to eliminate duplicates Z: 12 15.619 1.942 0.950 0.502 0.909 0.636 CA 1.365 12 residues pruned to eliminate duplicates Z: 10 9.303 2.179 0.464 0.341 0.778 0.556 CB 1.486 10 residues pruned to eliminate duplicates Z: 17 12.152 1.687 0.624 0.359 1.000 0.438 CB 1.291 17 residues pruned to eliminate duplicates Z: 16 25.366 1.939 0.617 0.881 1.000 0.733 CB 1.513 16 residues pruned to eliminate duplicates Z: 22 21.375 1.891 0.787 0.509 0.952 0.524 CB 1.436 22 residues pruned to eliminate duplicates Z: 22 25.792 2.051 0.762 0.683 0.905 0.762 CB 1.455 22 residues pruned to eliminate duplicates Z: 39 42.885 2.371 0.777 0.480 0.895 0.579 CB 1.883 39 residues pruned to eliminate duplicates Z: 6 3.285 1.490 -0.163 0.742 0.800 0.600 CA 1.185 6 residues pruned to eliminate duplicates Z: 12 13.071 1.971 0.441 0.358 1.000 0.545 CB 1.617 12 residues pruned to eliminate duplicates Z: 12 17.430 2.226 0.457 0.492 1.000 0.909 CA 1.633 9 residues pruned to eliminate duplicates Z: 19 47.131 2.411 0.888 0.915 0.944 0.833 CA 1.826 19 residues pruned to eliminate duplicates Z: 20 28.503 2.175 0.993 0.517 0.842 0.632 CB 1.762 20 residues pruned to eliminate duplicates Z: 13 27.727 2.379 0.284 0.937 1.000 1.000 CB 1.824 13 residues pruned to eliminate duplicates Z: 10 11.000 2.040 0.571 0.336 0.778 0.444 CA 1.760 10 residues pruned to eliminate duplicates Z: 34 26.285 2.237 0.650 0.433 0.848 0.455 CB 1.566 34 residues pruned to eliminate duplicates Z: 13 58.727 2.562 1.309 0.933 1.000 0.750 CA 1.999 13 residues pruned to eliminate duplicates Z: 36 51.701 2.470 0.699 0.677 0.943 0.829 CB 1.876 36 residues pruned to eliminate duplicates Z: 49 54.130 2.236 0.877 0.674 0.938 0.625 CB 1.691 49 residues pruned to eliminate duplicates Z: 14 56.027 2.441 1.636 0.954 1.000 0.846 CB 1.661 14 residues pruned to eliminate duplicates Z: 18 26.610 2.069 0.514 0.805 1.000 0.647 CA 1.578 18 residues pruned to eliminate duplicates Z: 16 31.045 2.192 0.886 0.768 0.933 0.733 CB 1.637 16 residues pruned to eliminate duplicates Z: 11 5.015 1.953 0.508 0.218 0.600 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 22 12.675 2.192 0.773 0.257 0.714 0.429 CB 1.316 22 residues pruned to eliminate duplicates Z: 17 29.161 2.122 0.775 0.811 0.938 0.812 CB 1.575 17 residues pruned to eliminate duplicates Z: 15 30.611 1.952 0.979 0.903 1.000 0.500 CB 1.510 15 residues pruned to eliminate duplicates Z: 16 52.283 2.513 0.933 0.946 1.000 0.933 CA 1.923 16 residues pruned to eliminate duplicates Z: 11 15.935 2.244 0.542 0.503 0.900 0.500 CB 1.614 11 residues pruned to eliminate duplicates Z: 27 43.619 2.396 0.975 0.622 0.923 0.654 CB 1.746 27 residues pruned to eliminate duplicates Z: 18 14.914 1.823 0.727 0.410 0.941 0.706 CA 1.341 18 residues pruned to eliminate duplicates Z: 18 43.206 2.346 1.077 0.938 0.882 0.765 CB 1.696 21 residues pruned to eliminate duplicates Z: 9 6.450 1.672 0.211 0.332 1.000 0.500 CB 1.354 9 residues pruned to eliminate duplicates Z: 17 18.410 2.052 0.455 0.669 0.875 0.562 CB 1.508 17 residues pruned to eliminate duplicates Z: 41 50.064 2.264 0.804 0.696 0.975 0.750 CB 1.662 41 residues pruned to eliminate duplicates Z: 34 56.282 2.439 0.991 0.662 0.970 0.697 CB 1.791 34 residues pruned to eliminate duplicates Z: 6 16.033 1.984 1.499 0.638 0.800 0.800 C 1.589 6 residues pruned to eliminate duplicates Z: 29 47.750 2.462 0.833 0.638 0.964 0.714 CB 1.823 29 residues pruned to eliminate duplicates Z: 13 16.783 1.937 0.571 0.519 1.000 0.750 CB 1.562 13 residues pruned to eliminate duplicates Z: 7 5.470 1.900 0.470 0.484 0.833 0.833 CB 0.975 7 residues pruned to eliminate duplicates Z: 12 38.557 2.501 0.770 0.932 1.000 1.000 CB 1.833 12 residues pruned to eliminate duplicates Z: 30 49.204 2.336 0.850 0.673 0.966 0.828 CA 1.867 30 residues pruned to eliminate duplicates Z: 10 18.398 2.151 1.069 0.423 0.889 0.778 CA 1.679 10 residues pruned to eliminate duplicates Z: 6 7.710 1.891 0.212 0.825 1.000 1.000 CA 1.136 6 residues pruned to eliminate duplicates Z: 42 49.964 2.437 0.729 0.614 0.902 0.707 CB 1.842 40 residues pruned to eliminate duplicates Z: 9 24.944 2.458 1.062 0.373 1.000 0.625 CA 1.994 9 residues pruned to eliminate duplicates Z: 17 51.438 2.409 1.320 0.753 0.938 0.875 CA 1.958 17 residues pruned to eliminate duplicates Z: 13 25.336 2.110 0.813 0.776 1.000 0.833 CB 1.499 13 residues pruned to eliminate duplicates Z: 31 39.444 2.454 0.770 0.554 0.833 0.567 CB 1.888 31 residues pruned to eliminate duplicates Z: 12 9.509 1.994 0.385 0.359 0.727 0.545 CA 1.661 12 residues pruned to eliminate duplicates Z: 34 47.636 2.313 0.802 0.717 0.939 0.788 CB 1.740 34 residues pruned to eliminate duplicates Z: 10 9.617 2.008 0.848 0.347 0.778 0.444 CB 1.311 10 residues pruned to eliminate duplicates Z: 14 21.844 2.072 0.736 0.920 1.000 0.846 CB 1.186 14 residues pruned to eliminate duplicates Z: 39 50.924 2.365 0.689 0.647 0.921 0.789 CB 1.957 39 residues pruned to eliminate duplicates Z: 18 24.567 2.042 0.655 0.826 0.882 0.824 CB 1.507 18 residues pruned to eliminate duplicates Z: 39 63.659 2.432 1.090 0.685 0.974 0.684 CB 1.761 39 residues pruned to eliminate duplicates Z: 11 17.205 2.381 0.676 0.292 0.900 0.500 CA 1.914 11 residues pruned to eliminate duplicates Z: 10 10.491 2.215 0.774 0.390 0.778 0.444 CB 1.286 10 residues pruned to eliminate duplicates Z: 30 49.006 2.301 0.794 0.691 1.000 0.897 CA 1.851 30 residues pruned to eliminate duplicates Z: 33 49.037 2.348 0.922 0.617 0.906 0.812 CB 1.897 36 residues pruned to eliminate duplicates Z: 36 34.873 2.316 0.688 0.441 0.857 0.600 CB 1.869 36 residues pruned to eliminate duplicates Z: 6 7.700 1.737 0.769 0.669 1.000 1.000 CB 0.959 Z: 20 44.661 2.417 0.881 0.629 1.000 0.789 CA 1.995 20 residues pruned to eliminate duplicates Z: 30 44.674 2.655 0.854 0.531 0.897 0.586 CB 1.823 30 residues pruned to eliminate duplicates Z: 41 42.321 2.207 0.759 0.647 0.925 0.700 CB 1.624 41 residues pruned to eliminate duplicates Z: 30 45.505 2.522 0.928 0.578 0.862 0.690 CB 1.869 30 residues pruned to eliminate duplicates Z: 39 46.846 2.431 0.532 0.656 0.947 0.763 CB 1.862 39 residues pruned to eliminate duplicates Z: 9 3.842 1.446 0.806 0.165 0.750 0.375 CA 1.042 9 residues pruned to eliminate duplicates Z: 14 19.556 1.966 0.374 0.881 1.000 0.846 CB 1.453 14 residues pruned to eliminate duplicates Z: 7 11.508 1.952 0.866 0.513 0.833 0.500 CA 1.527 Z: 16 31.963 2.049 0.848 0.849 1.000 0.867 CB 1.615 16 residues pruned to eliminate duplicates Z: 51 61.158 2.301 0.866 0.694 0.960 0.780 CB 1.757 52 residues pruned to eliminate duplicates Z: 7 17.693 2.454 0.536 0.856 0.833 0.667 CB 1.696 7 residues pruned to eliminate duplicates Z: 18 59.304 2.704 1.361 0.583 0.941 0.706 CA 2.211 18 residues pruned to eliminate duplicates Z: 57 47.807 2.217 0.585 0.646 0.946 0.732 CB 1.676 57 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 57.623 2.521 0.888 0.951 1.000 0.941 CB 2.023 18 residues pruned to eliminate duplicates Z: 55 45.047 2.279 0.853 0.505 0.870 0.667 CB 1.659 55 residues pruned to eliminate duplicates Z: 21 47.790 2.448 0.787 0.759 0.950 0.850 CA 2.043 21 residues pruned to eliminate duplicates Z: 23 49.929 2.348 0.916 0.728 1.000 0.773 CA 1.927 23 residues pruned to eliminate duplicates Z: 22 50.531 2.428 0.848 0.728 1.000 0.905 CA 2.002 22 residues pruned to eliminate duplicates Z: 66 48.390 2.358 0.729 0.517 0.877 0.692 CB 1.651 66 residues pruned to eliminate duplicates Z: 23 40.110 2.303 0.791 0.671 0.909 0.864 C 1.948 23 residues pruned to eliminate duplicates Z: 23 53.727 2.399 0.993 0.690 1.000 0.909 CA 2.014 23 residues pruned to eliminate duplicates Z: 22 48.386 2.370 1.094 0.681 0.905 0.857 CA 1.991 22 residues pruned to eliminate duplicates Z: 22 56.268 2.388 1.181 0.725 0.952 0.810 C 2.020 22 residues pruned to eliminate duplicates Z: 18 57.120 2.475 0.965 0.946 1.000 0.765 CB 1.970 18 residues pruned to eliminate duplicates Z: 22 55.284 2.433 1.055 0.713 1.000 0.810 CA 1.989 22 residues pruned to eliminate duplicates Z: 23 54.082 2.396 0.983 0.725 1.000 0.864 CB 1.981 23 residues pruned to eliminate duplicates Z: 26 37.146 2.206 0.800 0.581 0.920 0.720 CA 1.881 26 residues pruned to eliminate duplicates Z: 23 44.420 2.356 0.825 0.707 0.955 0.773 CA 1.913 23 residues pruned to eliminate duplicates Z: 24 40.283 2.282 0.677 0.693 1.000 0.913 CA 1.840 24 residues pruned to eliminate duplicates Z: 28 52.816 2.432 0.802 0.728 0.963 0.815 CA 1.961 28 residues pruned to eliminate duplicates Z: 31 48.497 2.335 0.767 0.641 0.967 0.833 CA 1.947 31 residues pruned to eliminate duplicates Z: 30 49.142 2.341 0.856 0.672 0.966 0.793 CA 1.857 30 residues pruned to eliminate duplicates Z: 34 44.980 2.275 0.835 0.617 0.879 0.758 CB 1.912 34 residues pruned to eliminate duplicates Z: 30 44.609 2.320 0.651 0.686 0.966 0.793 CA 1.888 30 residues pruned to eliminate duplicates Z: 35 46.526 2.265 0.723 0.614 0.971 0.735 C 1.890 35 residues pruned to eliminate duplicates Z: 30 50.410 2.356 0.802 0.675 0.966 0.759 CA 1.944 30 residues pruned to eliminate duplicates Z: 29 47.301 2.409 0.655 0.686 0.964 0.857 CA 1.962 29 residues pruned to eliminate duplicates Z: 31 43.878 2.323 0.719 0.635 0.967 0.867 CA 1.828 31 residues pruned to eliminate duplicates Z: 29 52.797 2.355 0.844 0.687 1.000 0.786 CA 1.935 29 residues pruned to eliminate duplicates Z: 34 49.332 2.305 0.872 0.612 0.939 0.727 CA 1.904 34 residues pruned to eliminate duplicates Z: 31 49.170 2.308 0.947 0.651 0.933 0.733 CB 1.859 31 residues pruned to eliminate duplicates Z: 31 50.210 2.345 0.864 0.632 0.967 0.800 CB 1.916 32 residues pruned to eliminate duplicates Z: 18 54.440 2.540 0.817 0.922 1.000 0.765 CA 2.012 18 residues pruned to eliminate duplicates Z: 31 48.136 2.337 0.701 0.633 1.000 0.800 CB 1.952 31 residues pruned to eliminate duplicates Z: 30 50.603 2.342 0.845 0.666 0.966 0.759 CB 1.932 29 residues pruned to eliminate duplicates Z: 21 34.440 2.247 0.667 0.836 0.900 0.800 CB 1.710 21 residues pruned to eliminate duplicates Z: 36 41.378 2.246 0.746 0.566 0.943 0.800 CB 1.775 36 residues pruned to eliminate duplicates Z: 28 50.459 2.447 0.801 0.690 0.963 0.926 CA 1.923 28 residues pruned to eliminate duplicates Z: 30 44.080 2.329 0.634 0.681 0.966 0.897 CB 1.887 30 residues pruned to eliminate duplicates Z: 11 9.500 2.051 0.310 0.343 0.800 0.600 CA 1.657 11 residues pruned to eliminate duplicates Z: 30 42.318 2.352 0.667 0.620 0.966 0.862 CA 1.853 30 residues pruned to eliminate duplicates Z: 30 48.881 2.354 0.883 0.608 1.000 0.828 CA 1.848 30 residues pruned to eliminate duplicates Z: 32 51.089 2.294 0.859 0.720 1.000 0.871 CB 1.764 30 residues pruned to eliminate duplicates Z: 12 20.061 2.082 0.535 0.817 1.000 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 51 64.849 2.304 0.940 0.692 0.960 0.720 CB 1.793 51 residues pruned to eliminate duplicates Z: 19 21.529 2.021 0.801 0.620 0.833 0.611 CA 1.494 19 residues pruned to eliminate duplicates Z: 51 64.320 2.310 0.933 0.698 0.960 0.760 CB 1.771 51 residues pruned to eliminate duplicates Z: 35 53.470 2.338 1.101 0.652 0.912 0.618 CB 1.777 34 residues pruned to eliminate duplicates Z: 11 34.421 2.360 1.069 0.917 1.000 0.700 CA 1.574 14 residues pruned to eliminate duplicates Z: 11 33.133 2.238 1.041 0.850 1.000 0.700 CA 1.699 11 residues pruned to eliminate duplicates Z: 29 24.312 2.149 0.775 0.439 0.893 0.643 CB 1.438 29 residues pruned to eliminate duplicates Z: 11 31.018 2.480 1.192 0.611 0.900 0.800 CA 1.804 11 residues pruned to eliminate duplicates Z: 54 48.050 2.303 0.819 0.514 0.887 0.642 CB 1.752 54 residues pruned to eliminate duplicates Z: 12 21.715 2.475 0.882 0.490 0.909 0.636 CB 1.562 12 residues pruned to eliminate duplicates Z: 27 24.849 2.259 0.802 0.384 0.846 0.577 CB 1.600 27 residues pruned to eliminate duplicates Z: 27 25.879 2.152 0.805 0.519 0.885 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 28 27.488 2.178 0.850 0.467 0.926 0.519 CB 1.466 28 residues pruned to eliminate duplicates Z: 32 24.393 2.162 0.820 0.369 0.871 0.613 CB 1.471 32 residues pruned to eliminate duplicates Z: 14 23.586 2.175 0.844 0.506 0.923 0.846 CB 1.757 14 residues pruned to eliminate duplicates Z: 54 69.643 2.477 0.874 0.674 0.962 0.811 CB 1.825 54 residues pruned to eliminate duplicates Z: 52 69.097 2.515 0.781 0.681 0.961 0.765 CB 1.904 52 residues pruned to eliminate duplicates Z: 55 70.441 2.459 0.855 0.656 0.963 0.741 CB 1.888 55 residues pruned to eliminate duplicates Z: 50 78.265 2.565 0.957 0.719 0.939 0.714 CB 1.947 50 residues pruned to eliminate duplicates Z: 14 39.793 2.371 0.951 0.912 1.000 0.846 CB 1.690 14 residues pruned to eliminate duplicates Z: 49 81.966 2.579 0.949 0.700 0.979 0.771 CB 2.002 49 residues pruned to eliminate duplicates Z: 53 69.255 2.501 0.819 0.672 0.962 0.750 CB 1.874 53 residues pruned to eliminate duplicates Z: 52 65.693 2.569 0.698 0.684 0.922 0.765 CB 1.933 52 residues pruned to eliminate duplicates Z: 51 71.079 2.541 0.782 0.701 0.940 0.820 CB 1.966 51 residues pruned to eliminate duplicates Z: 17 39.242 2.456 0.713 0.790 0.938 0.812 CB 1.927 17 residues pruned to eliminate duplicates Z: 54 71.122 2.524 0.840 0.690 0.906 0.717 CB 1.952 54 residues pruned to eliminate duplicates Z: 18 43.183 2.393 0.861 0.778 1.000 0.706 CB 1.841 18 residues pruned to eliminate duplicates Z: 55 64.891 2.429 0.798 0.633 0.944 0.759 CB 1.889 55 residues pruned to eliminate duplicates Z: 53 72.494 2.537 0.826 0.668 0.962 0.808 CB 1.931 53 residues pruned to eliminate duplicates Z: 50 77.830 2.568 0.828 0.732 0.959 0.837 CB 2.003 50 residues pruned to eliminate duplicates Z: 52 65.792 2.479 0.651 0.679 0.980 0.784 CB 1.948 52 residues pruned to eliminate duplicates Z: 51 77.167 2.513 0.870 0.718 0.980 0.800 CB 1.945 51 residues pruned to eliminate duplicates Z: 50 77.565 2.566 0.865 0.712 0.959 0.816 CB 1.991 50 residues pruned to eliminate duplicates Z: 16 50.466 2.550 1.127 0.776 1.000 0.800 CB 1.883 16 residues pruned to eliminate duplicates Z: 52 75.641 2.587 0.828 0.689 0.961 0.706 CB 1.961 52 residues pruned to eliminate duplicates Z: 14 25.012 2.371 0.610 0.885 0.923 0.846 CB 1.422 14 residues pruned to eliminate duplicates Z: 34 52.849 2.424 0.890 0.691 0.939 0.727 CB 1.795 34 residues pruned to eliminate duplicates Z: 52 78.762 2.519 0.915 0.695 0.980 0.725 CB 1.951 52 residues pruned to eliminate duplicates Z: 52 75.724 2.506 0.915 0.677 0.980 0.706 CB 1.914 52 residues pruned to eliminate duplicates Z: 54 73.458 2.466 0.934 0.679 0.981 0.679 CB 1.829 54 residues pruned to eliminate duplicates Z: 51 80.736 2.564 0.918 0.708 0.980 0.820 CB 1.962 51 residues pruned to eliminate duplicates Z: 55 70.844 2.467 0.868 0.659 0.963 0.722 CB 1.874 55 residues pruned to eliminate duplicates Z: 52 80.833 2.563 0.959 0.675 0.980 0.765 CB 1.956 52 residues pruned to eliminate duplicates Z: 52 77.736 2.521 0.930 0.679 0.980 0.725 CB 1.936 52 residues pruned to eliminate duplicates Z: 54 72.686 2.467 0.918 0.670 0.962 0.698 CB 1.874 54 residues pruned to eliminate duplicates Z: 54 71.668 2.469 0.877 0.677 0.981 0.755 CB 1.839 54 residues pruned to eliminate duplicates Z: 37 57.025 2.437 1.021 0.667 0.917 0.694 CB 1.804 37 residues pruned to eliminate duplicates Z: 51 82.090 2.495 1.006 0.741 0.960 0.720 CB 1.947 51 residues pruned to eliminate duplicates Z: 52 73.845 2.503 0.931 0.668 0.980 0.725 CB 1.869 52 residues pruned to eliminate duplicates Z: 54 69.396 2.430 1.002 0.634 0.925 0.660 CB 1.870 54 residues pruned to eliminate duplicates Z: 63 70.442 2.454 0.847 0.662 0.935 0.661 CB 1.815 63 residues pruned to eliminate duplicates Z: 52 81.416 2.520 1.018 0.697 0.980 0.686 CB 1.910 51 residues pruned to eliminate duplicates Z: 12 29.243 2.205 0.633 0.901 1.000 0.909 CB 1.749 12 residues pruned to eliminate duplicates Z: 57 69.599 2.390 0.888 0.674 0.964 0.714 CB 1.821 57 residues pruned to eliminate duplicates Z: 51 76.871 2.527 0.889 0.694 0.980 0.700 CB 1.947 51 residues pruned to eliminate duplicates Z: 53 78.573 2.463 1.062 0.682 0.962 0.808 CB 1.887 53 residues pruned to eliminate duplicates Z: 50 88.459 2.563 1.161 0.673 0.980 0.735 CB 1.986 53 residues pruned to eliminate duplicates Z: 12 33.006 2.335 0.829 0.858 1.000 0.727 CA 1.716 11 residues pruned to eliminate duplicates Z: 12 30.257 2.179 0.791 0.894 1.000 0.909 C 1.676 12 residues pruned to eliminate duplicates Z: 27 40.051 2.491 0.805 0.577 0.846 0.615 CB 1.918 27 residues pruned to eliminate duplicates Z: 9 9.250 2.361 0.633 0.422 0.625 0.500 CB 1.471 9 residues pruned to eliminate duplicates Z: 10 17.528 2.282 0.861 0.508 0.889 0.556 CB 1.535 9 residues pruned to eliminate duplicates Z: 16 64.130 2.482 1.379 0.837 1.000 0.667 CA 2.097 16 residues pruned to eliminate duplicates Z: 16 54.514 2.522 1.090 0.818 0.933 0.733 CA 2.171 16 residues pruned to eliminate duplicates Z: 40 39.883 2.364 0.916 0.470 0.846 0.615 CB 1.717 40 residues pruned to eliminate duplicates Z: 17 60.563 2.616 1.164 0.722 1.000 0.750 CA 2.189 17 residues pruned to eliminate duplicates Z: 19 52.503 2.533 1.047 0.682 0.944 0.722 CA 2.138 19 residues pruned to eliminate duplicates Z: 18 64.093 2.562 1.390 0.734 0.941 0.824 CB 2.186 18 residues pruned to eliminate duplicates Z: 18 61.673 2.552 1.264 0.699 1.000 0.765 CA 2.160 18 residues pruned to eliminate duplicates Z: 19 57.217 2.571 1.371 0.666 0.889 0.778 C 2.135 19 residues pruned to eliminate duplicates Z: 33 42.922 2.393 0.946 0.505 0.875 0.500 CB 1.854 33 residues pruned to eliminate duplicates Z: 50 42.192 2.236 0.837 0.484 0.857 0.551 CB 1.739 50 residues pruned to eliminate duplicates Z: 21 49.420 2.404 1.211 0.667 0.900 0.600 CB 1.980 21 residues pruned to eliminate duplicates Z: 20 40.655 2.387 1.317 0.556 0.842 0.632 C 1.896 20 residues pruned to eliminate duplicates Z: 21 43.598 2.367 1.168 0.555 0.900 0.650 C 2.000 21 residues pruned to eliminate duplicates Z: 32 41.854 2.425 0.752 0.540 0.935 0.710 CB 1.819 32 residues pruned to eliminate duplicates Z: 30 43.895 2.499 0.711 0.569 0.931 0.552 CB 1.915 30 residues pruned to eliminate duplicates Z: 27 43.637 2.489 0.848 0.606 0.885 0.615 CB 1.901 27 residues pruned to eliminate duplicates Z: 27 14.728 2.030 0.543 0.378 0.808 0.500 CB 1.301 27 residues pruned to eliminate duplicates Z: 22 14.160 2.117 0.625 0.330 0.810 0.476 CB 1.337 22 residues pruned to eliminate duplicates Z: 16 10.326 2.033 0.474 0.391 0.800 0.533 CB 1.248 16 residues pruned to eliminate duplicates Z: 32 39.400 2.353 0.841 0.543 0.871 0.581 CB 1.799 32 residues pruned to eliminate duplicates Z: 30 42.852 2.414 0.885 0.573 0.931 0.552 CB 1.751 30 residues pruned to eliminate duplicates Z: 14 12.079 2.301 0.462 0.353 0.769 0.462 CB 1.519 14 residues pruned to eliminate duplicates Z: 58 48.465 2.189 0.852 0.508 0.930 0.526 CB 1.690 58 residues pruned to eliminate duplicates Z: 14 5.080 2.007 0.375 0.198 0.615 0.385 CB 1.188 14 residues pruned to eliminate duplicates Z: 52 40.874 2.315 0.883 0.462 0.824 0.608 CB 1.657 51 residues pruned to eliminate duplicates Z: 15 45.066 2.439 1.092 0.803 0.929 0.714 C 1.951 15 residues pruned to eliminate duplicates Z: 82 79.974 2.367 0.975 0.651 0.926 0.716 CB 1.784 77 residues pruned to eliminate duplicates Z: 13 61.646 2.744 1.034 0.925 1.000 0.917 C 2.236 13 residues pruned to eliminate duplicates Z: 18 38.863 2.555 0.720 0.684 0.882 0.765 CB 2.052 18 residues pruned to eliminate duplicates Z: 21 42.169 2.578 0.841 0.582 0.900 0.650 C 2.041 21 residues pruned to eliminate duplicates Z: 23 32.825 2.446 0.793 0.517 0.818 0.591 CB 1.919 23 residues pruned to eliminate duplicates Z: 20 48.744 2.665 0.914 0.595 0.947 0.684 CB 2.112 20 residues pruned to eliminate duplicates Z: 32 43.678 2.596 0.800 0.485 0.871 0.613 CB 1.958 32 residues pruned to eliminate duplicates Z: 17 50.521 2.682 1.003 0.673 0.938 0.750 CB 2.137 17 residues pruned to eliminate duplicates Z: 38 46.502 2.538 0.912 0.482 0.838 0.676 CB 1.916 38 residues pruned to eliminate duplicates Z: 38 44.247 2.530 0.843 0.495 0.838 0.676 CB 1.872 38 residues pruned to eliminate duplicates Z: 25 45.843 2.556 1.005 0.558 0.875 0.625 CB 1.973 25 residues pruned to eliminate duplicates Z: 24 47.958 2.492 1.022 0.602 0.913 0.696 CB 1.972 24 residues pruned to eliminate duplicates Z: 45 42.320 2.457 0.810 0.465 0.841 0.636 CB 1.768 45 residues pruned to eliminate duplicates Z: 39 33.630 2.353 0.771 0.468 0.842 0.553 CB 1.605 39 residues pruned to eliminate duplicates Z: 27 23.952 2.371 0.647 0.360 0.808 0.615 CB 1.731 27 residues pruned to eliminate duplicates Z: 14 16.209 2.475 0.654 0.366 0.846 0.538 CB 1.498 14 residues pruned to eliminate duplicates Z: 13 20.273 2.533 0.854 0.406 0.833 0.667 CB 1.650 13 residues pruned to eliminate duplicates Z: 20 21.489 2.416 0.723 0.390 0.789 0.526 CB 1.686 20 residues pruned to eliminate duplicates Z: 45 47.959 2.486 0.941 0.448 0.909 0.591 CB 1.739 45 residues pruned to eliminate duplicates Z: 41 40.288 2.467 0.782 0.428 0.850 0.550 CB 1.837 41 residues pruned to eliminate duplicates Z: 14 20.638 2.429 0.972 0.408 0.769 0.462 CB 1.711 14 residues pruned to eliminate duplicates Z: 21 18.609 2.386 0.766 0.330 0.750 0.450 CB 1.586 21 residues pruned to eliminate duplicates Z: 19 20.357 2.441 0.819 0.325 0.889 0.500 CB 1.474 19 residues pruned to eliminate duplicates Z: 100 67.583 2.331 0.798 0.554 0.909 0.586 CB 1.690 100 residues pruned to eliminate duplicates Z: 12 9.039 2.143 0.879 0.232 0.727 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 21 18.766 2.332 0.533 0.335 0.850 0.500 CB 1.654 21 residues pruned to eliminate duplicates Z: 65 53.750 2.337 0.854 0.479 0.922 0.594 CB 1.717 65 residues pruned to eliminate duplicates Z: 35 25.092 2.298 0.632 0.365 0.882 0.441 CB 1.503 35 residues pruned to eliminate duplicates Z: 49 53.176 2.303 0.961 0.562 0.875 0.625 CB 1.829 49 residues pruned to eliminate duplicates Z: 49 42.304 2.436 0.894 0.395 0.833 0.521 CB 1.774 49 residues pruned to eliminate duplicates Z: 19 17.786 2.089 0.694 0.374 0.944 0.556 CB 1.434 19 residues pruned to eliminate duplicates Z: 9 8.464 2.155 0.617 0.366 0.750 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 13 11.729 2.315 0.612 0.373 0.750 0.583 CB 1.385 13 residues pruned to eliminate duplicates Z: 51 60.019 2.326 0.778 0.721 0.940 0.760 CB 1.788 51 residues pruned to eliminate duplicates Z: 57 52.971 2.249 0.746 0.665 0.929 0.696 CB 1.666 57 residues pruned to eliminate duplicates Z: 52 57.286 2.346 0.698 0.700 0.941 0.667 CB 1.784 52 residues pruned to eliminate duplicates Z: 53 56.335 2.295 0.730 0.676 0.962 0.654 CB 1.741 53 residues pruned to eliminate duplicates Z: 53 66.837 2.355 0.876 0.713 0.962 0.673 CB 1.799 53 residues pruned to eliminate duplicates Z: 18 31.109 2.102 0.657 0.853 1.000 0.588 CA 1.601 18 residues pruned to eliminate duplicates Z: 51 65.786 2.345 0.862 0.715 0.960 0.700 CB 1.827 51 residues pruned to eliminate duplicates Z: 52 60.828 2.301 0.773 0.691 0.980 0.725 CB 1.789 52 residues pruned to eliminate duplicates Z: 51 59.469 2.339 0.725 0.709 0.940 0.760 CB 1.835 51 residues pruned to eliminate duplicates Z: 53 60.066 2.299 0.774 0.689 0.981 0.712 CB 1.751 53 residues pruned to eliminate duplicates Z: 15 26.464 1.965 0.767 0.871 0.929 0.571 CA 1.601 15 residues pruned to eliminate duplicates Z: 39 37.744 2.220 0.719 0.530 0.947 0.526 CB 1.645 39 residues pruned to eliminate duplicates Z: 52 60.124 2.340 0.788 0.700 0.941 0.706 CB 1.782 52 residues pruned to eliminate duplicates Z: 52 58.142 2.291 0.767 0.670 0.961 0.745 CB 1.788 52 residues pruned to eliminate duplicates Z: 53 53.440 2.268 0.733 0.671 0.942 0.692 CB 1.709 53 residues pruned to eliminate duplicates Z: 27 30.556 2.215 0.776 0.623 0.846 0.692 CB 1.604 27 residues pruned to eliminate duplicates Z: 52 58.165 2.323 0.783 0.691 0.961 0.706 CB 1.718 52 residues pruned to eliminate duplicates Z: 54 56.786 2.286 0.838 0.665 0.925 0.755 CB 1.724 54 residues pruned to eliminate duplicates Z: 52 57.492 2.305 0.769 0.693 0.941 0.745 CB 1.758 52 residues pruned to eliminate duplicates Z: 54 56.785 2.313 0.757 0.684 0.943 0.755 CB 1.718 54 residues pruned to eliminate duplicates Z: 53 56.098 2.316 0.791 0.675 0.923 0.692 CB 1.729 53 residues pruned to eliminate duplicates Z: 53 54.757 2.282 0.744 0.693 0.923 0.712 CB 1.733 53 residues pruned to eliminate duplicates Z: 52 56.408 2.286 0.714 0.720 0.961 0.804 CB 1.720 52 residues pruned to eliminate duplicates Z: 53 55.294 2.328 0.691 0.684 0.962 0.750 CB 1.711 53 residues pruned to eliminate duplicates Z: 51 60.491 2.337 0.759 0.706 0.960 0.780 CB 1.798 51 residues pruned to eliminate duplicates Z: 51 60.066 2.345 0.781 0.698 0.940 0.760 CB 1.805 51 residues pruned to eliminate duplicates Z: 35 46.327 2.223 0.732 0.716 0.971 0.765 CB 1.748 35 residues pruned to eliminate duplicates Z: 37 44.729 2.339 0.707 0.662 0.917 0.722 CB 1.753 37 residues pruned to eliminate duplicates Z: 51 59.205 2.312 0.784 0.707 0.960 0.760 CB 1.751 51 residues pruned to eliminate duplicates Z: 34 43.905 2.214 0.662 0.708 1.000 0.848 CB 1.719 34 residues pruned to eliminate duplicates Z: 51 63.831 2.346 0.816 0.730 0.960 0.740 CB 1.795 51 residues pruned to eliminate duplicates Z: 52 57.664 2.316 0.840 0.705 0.922 0.667 CB 1.707 52 residues pruned to eliminate duplicates Z: 52 60.533 2.285 0.854 0.717 0.941 0.745 CB 1.747 52 residues pruned to eliminate duplicates Z: 40 48.340 2.289 0.903 0.661 0.897 0.667 CB 1.706 40 residues pruned to eliminate duplicates Z: 14 11.093 2.117 1.245 0.364 0.615 0.385 CB 1.217 11 residues pruned to eliminate duplicates 286 residues left after pruning, divided into chains as follows: A: 51 B: 145 C: 90 CC for partial structure against native data = 37.77 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.405, Connect. = 0.784 for dens.mod. cycle 1 = 0.300, Contrast = 0.462, Connect. = 0.803 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.833 for dens.mod. cycle 3 = 0.300, Contrast = 0.569, Connect. = 0.836 for dens.mod. cycle 4 = 0.300, Contrast = 0.581, Connect. = 0.839 for dens.mod. cycle 5 = 0.300, Contrast = 0.588, Connect. = 0.841 for dens.mod. cycle 6 = 0.300, Contrast = 0.594, Connect. = 0.843 for dens.mod. cycle 7 = 0.300, Contrast = 0.599, Connect. = 0.844 for dens.mod. cycle 8 = 0.300, Contrast = 0.603, Connect. = 0.845 for dens.mod. cycle 9 = 0.300, Contrast = 0.606, Connect. = 0.845 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2116 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 425 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 42.866 2.511 0.770 0.900 1.000 1.000 C 1.988 B: 14 45.709 2.485 0.986 0.836 0.923 0.846 C 2.083 13 residues pruned to eliminate duplicates C: 13 43.989 2.617 0.758 0.930 0.917 0.917 C 2.105 13 residues pruned to eliminate duplicates D: 15 44.010 2.433 0.868 0.833 1.000 0.714 CA 1.942 15 residues pruned to eliminate duplicates E: 15 42.073 2.282 0.828 0.901 1.000 0.857 CA 1.924 15 residues pruned to eliminate duplicates F: 15 37.677 2.378 0.605 0.912 1.000 0.857 C 1.869 14 residues pruned to eliminate duplicates G: 16 44.722 2.391 0.853 0.892 1.000 0.867 CB 1.871 15 residues pruned to eliminate duplicates H: 17 18.089 2.136 0.966 0.337 0.812 0.500 CB 1.583 I: 15 42.960 2.424 0.964 0.900 0.929 0.857 C 1.855 15 residues pruned to eliminate duplicates J: 15 34.889 2.327 0.655 0.894 0.929 0.714 C 1.870 15 residues pruned to eliminate duplicates K: 16 52.125 2.351 1.051 0.910 1.000 0.867 CA 1.980 L: 17 43.728 2.503 0.555 0.950 1.000 0.938 CA 1.937 M: 14 46.433 2.559 0.916 0.926 0.923 0.846 C 1.995 15 residues pruned to eliminate duplicates N: 14 41.413 2.385 0.838 0.898 1.000 0.769 CA 1.875 14 residues pruned to eliminate duplicates O: 38 58.767 2.429 1.054 0.649 0.892 0.703 CB 1.890 P: 14 42.602 2.481 0.754 0.931 1.000 0.846 CA 1.898 14 residues pruned to eliminate duplicates Q: 13 48.306 2.535 0.789 0.907 1.000 0.917 C 2.186 13 residues pruned to eliminate duplicates R: 13 31.514 2.293 0.922 0.847 0.917 0.750 CB 1.671 13 residues pruned to eliminate duplicates S: 14 57.677 2.532 1.217 0.909 1.000 0.846 CA 2.023 15 residues pruned to eliminate duplicates T: 14 52.655 2.501 1.181 0.875 1.000 0.846 CA 1.947 14 residues pruned to eliminate duplicates U: 14 52.880 2.494 1.045 0.892 1.000 0.769 CA 2.066 14 residues pruned to eliminate duplicates V: 14 41.000 2.464 0.805 0.921 0.923 0.923 CA 1.948 14 residues pruned to eliminate duplicates W: 19 52.641 2.439 0.954 0.931 1.000 0.833 CA 1.820 17 residues pruned to eliminate duplicates X: 15 46.525 2.427 0.845 0.891 1.000 0.786 CA 1.996 15 residues pruned to eliminate duplicates Y: 13 46.937 2.553 1.168 0.944 1.000 0.750 CB 1.695 13 residues pruned to eliminate duplicates Z: 13 34.767 2.329 0.824 0.928 1.000 0.750 CB 1.655 Z: 16 51.444 2.428 1.246 0.855 0.933 0.733 CA 1.925 15 residues pruned to eliminate duplicates Z: 14 31.189 2.248 0.808 0.933 1.000 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 10 30.437 2.405 0.669 0.907 1.000 1.000 C 1.796 12 residues pruned to eliminate duplicates Z: 12 23.621 2.217 0.450 0.832 0.909 0.818 C 1.829 12 residues pruned to eliminate duplicates Z: 13 46.309 2.523 0.856 0.899 1.000 0.917 C 2.039 13 residues pruned to eliminate duplicates Z: 61 55.778 2.523 0.856 0.481 0.850 0.550 CB 1.844 22 residues pruned to eliminate duplicates Z: 15 58.285 2.431 1.318 0.894 1.000 0.929 CA 1.983 15 residues pruned to eliminate duplicates Z: 11 42.805 2.579 0.794 0.925 1.000 0.800 CA 2.053 9 residues pruned to eliminate duplicates Z: 17 57.202 2.471 1.104 0.948 1.000 0.875 CB 1.900 19 residues pruned to eliminate duplicates Z: 21 46.094 2.533 1.016 0.780 0.900 0.850 CB 1.753 21 residues pruned to eliminate duplicates Z: 14 41.297 2.425 1.217 0.918 1.000 0.846 CB 1.503 14 residues pruned to eliminate duplicates Z: 14 52.931 2.574 1.317 0.858 0.923 0.846 CA 1.963 14 residues pruned to eliminate duplicates Z: 13 39.486 2.533 0.893 0.930 1.000 0.750 CB 1.661 13 residues pruned to eliminate duplicates Z: 18 49.539 2.424 0.834 0.935 1.000 0.941 CB 1.883 Z: 15 48.290 2.438 1.014 0.942 0.929 0.857 CA 1.963 15 residues pruned to eliminate duplicates Z: 14 36.129 2.436 0.969 0.911 1.000 0.846 CB 1.481 14 residues pruned to eliminate duplicates Z: 20 43.038 2.344 0.662 0.892 1.000 0.895 CA 1.821 18 residues pruned to eliminate duplicates Z: 14 34.324 2.407 0.823 0.932 1.000 0.846 CB 1.515 14 residues pruned to eliminate duplicates Z: 19 47.786 2.478 0.754 0.899 1.000 0.833 CA 1.852 19 residues pruned to eliminate duplicates Z: 19 51.585 2.412 0.966 0.926 1.000 0.889 CA 1.798 19 residues pruned to eliminate duplicates Z: 12 29.239 2.260 0.622 0.892 0.909 0.909 CB 1.900 12 residues pruned to eliminate duplicates Z: 18 48.615 2.514 0.680 0.937 1.000 0.824 CA 1.943 18 residues pruned to eliminate duplicates Z: 18 45.558 2.451 0.700 0.931 1.000 0.824 CB 1.853 18 residues pruned to eliminate duplicates Z: 28 52.468 2.572 1.148 0.541 0.926 0.704 CB 1.897 42 residues pruned to eliminate duplicates Z: 18 47.666 2.415 0.807 0.939 1.000 0.882 CB 1.840 18 residues pruned to eliminate duplicates Z: 20 37.832 2.323 0.619 0.867 1.000 0.895 CA 1.688 20 residues pruned to eliminate duplicates Z: 13 52.787 2.518 1.065 0.916 1.000 0.833 CB 2.070 13 residues pruned to eliminate duplicates Z: 13 35.654 2.373 0.840 0.931 1.000 0.833 CB 1.648 14 residues pruned to eliminate duplicates Z: 17 52.735 2.507 0.833 0.937 1.000 1.000 CA 1.997 17 residues pruned to eliminate duplicates Z: 19 35.842 2.377 0.497 0.900 0.944 0.889 CA 1.796 19 residues pruned to eliminate duplicates Z: 17 44.412 2.400 0.755 0.943 1.000 0.938 CA 1.827 17 residues pruned to eliminate duplicates Z: 11 31.754 2.339 0.839 0.892 0.900 0.800 C 1.864 11 residues pruned to eliminate duplicates Z: 18 51.838 2.462 0.844 0.938 1.000 0.882 CB 1.926 18 residues pruned to eliminate duplicates Z: 20 37.794 2.253 0.791 0.786 0.947 0.789 CB 1.764 Z: 55 59.594 2.314 0.711 0.672 0.963 0.796 CB 1.815 12 residues pruned to eliminate duplicates Z: 14 50.631 2.538 1.226 0.932 0.923 0.769 C 1.881 14 residues pruned to eliminate duplicates Z: 18 55.458 2.448 1.027 0.950 1.000 0.824 CB 1.870 18 residues pruned to eliminate duplicates Z: 8 14.785 1.956 0.551 0.769 1.000 0.714 CA 1.451 8 residues pruned to eliminate duplicates Z: 11 31.324 2.319 0.642 0.873 1.000 0.800 CA 1.895 11 residues pruned to eliminate duplicates Z: 19 41.849 2.365 0.625 0.907 1.000 0.833 CA 1.825 19 residues pruned to eliminate duplicates Z: 19 45.438 2.363 0.663 0.938 1.000 0.889 CB 1.895 19 residues pruned to eliminate duplicates Z: 58 53.513 2.471 0.834 0.491 0.842 0.596 CB 1.874 58 residues pruned to eliminate duplicates Z: 13 32.467 2.225 0.638 0.880 1.000 0.667 C 1.864 13 residues pruned to eliminate duplicates Z: 18 52.283 2.396 0.902 0.950 1.000 0.941 CA 1.919 20 residues pruned to eliminate duplicates Z: 14 40.437 2.309 0.940 0.937 1.000 0.846 CB 1.742 15 residues pruned to eliminate duplicates Z: 16 36.242 2.291 1.004 0.833 0.867 0.600 C 1.764 16 residues pruned to eliminate duplicates Z: 13 36.984 2.367 0.856 0.919 1.000 0.917 CB 1.713 13 residues pruned to eliminate duplicates Z: 14 31.061 2.421 0.640 0.924 1.000 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 14 33.824 2.451 0.813 0.906 1.000 0.846 CB 1.502 14 residues pruned to eliminate duplicates Z: 15 46.767 2.407 1.169 0.824 0.929 0.857 C 1.948 15 residues pruned to eliminate duplicates Z: 14 44.516 2.361 1.626 0.915 0.923 0.769 CB 1.525 14 residues pruned to eliminate duplicates Z: 13 46.908 2.421 1.483 0.919 1.000 0.583 CB 1.588 13 residues pruned to eliminate duplicates Z: 14 37.358 2.399 0.987 0.921 1.000 0.923 CB 1.529 14 residues pruned to eliminate duplicates Z: 12 57.686 2.736 0.972 0.922 1.000 1.000 C 2.267 12 residues pruned to eliminate duplicates Z: 15 45.206 2.496 0.919 0.850 0.929 0.786 C 2.011 15 residues pruned to eliminate duplicates Z: 21 21.583 2.307 0.633 0.373 0.850 0.500 CB 1.727 21 residues pruned to eliminate duplicates Z: 12 31.638 2.214 0.733 0.870 1.000 0.818 CA 1.815 12 residues pruned to eliminate duplicates Z: 18 51.235 2.471 0.782 0.935 1.000 0.882 CB 1.967 18 residues pruned to eliminate duplicates Z: 7 11.643 2.106 0.556 0.810 0.833 0.667 C 1.329 7 residues pruned to eliminate duplicates Z: 15 38.810 2.314 0.708 0.919 1.000 0.857 C 1.850 15 residues pruned to eliminate duplicates Z: 11 30.888 2.309 0.680 0.889 1.000 0.800 C 1.812 11 residues pruned to eliminate duplicates Z: 29 48.649 2.597 0.799 0.583 0.929 0.714 CB 1.957 29 residues pruned to eliminate duplicates Z: 15 35.869 2.342 0.809 0.875 0.929 0.714 CB 1.773 15 residues pruned to eliminate duplicates Z: 17 25.439 2.108 0.468 0.780 1.000 0.688 CA 1.606 17 residues pruned to eliminate duplicates Z: 18 48.531 2.427 0.803 0.929 1.000 0.882 CB 1.883 18 residues pruned to eliminate duplicates Z: 19 48.991 2.362 0.911 0.954 1.000 0.889 CA 1.759 19 residues pruned to eliminate duplicates Z: 12 34.887 2.357 0.665 0.913 1.000 1.000 C 1.897 12 residues pruned to eliminate duplicates Z: 69 51.416 2.479 0.834 0.443 0.838 0.529 CB 1.734 69 residues pruned to eliminate duplicates Z: 14 26.391 2.102 0.781 0.848 0.923 0.692 C 1.571 14 residues pruned to eliminate duplicates Z: 18 45.992 2.402 0.762 0.945 1.000 0.941 CB 1.824 18 residues pruned to eliminate duplicates Z: 35 38.264 2.244 0.736 0.594 0.882 0.647 CB 1.744 31 residues pruned to eliminate duplicates Z: 15 30.444 2.322 0.606 0.863 0.857 0.857 CA 1.868 Z: 17 39.351 2.404 0.636 0.945 0.938 0.938 CB 1.847 17 residues pruned to eliminate duplicates Z: 14 29.243 2.156 0.528 0.897 1.000 0.923 C 1.762 13 residues pruned to eliminate duplicates Z: 17 46.732 2.388 0.855 0.928 1.000 0.812 CA 1.847 17 residues pruned to eliminate duplicates Z: 15 44.251 2.428 1.082 0.794 0.929 0.786 CA 1.947 15 residues pruned to eliminate duplicates Z: 20 46.515 2.342 0.779 0.913 1.000 0.895 CA 1.814 20 residues pruned to eliminate duplicates Z: 12 25.442 2.082 0.728 0.865 1.000 0.818 CA 1.562 12 residues pruned to eliminate duplicates Z: 12 23.623 2.357 0.868 0.647 0.818 0.727 CB 1.724 12 residues pruned to eliminate duplicates Z: 18 46.774 2.403 0.752 0.934 1.000 0.941 CB 1.880 18 residues pruned to eliminate duplicates Z: 12 26.086 2.109 0.953 0.814 0.909 0.727 C 1.598 12 residues pruned to eliminate duplicates Z: 17 48.543 2.504 0.597 0.947 1.000 0.875 CB 2.098 17 residues pruned to eliminate duplicates Z: 15 34.906 2.125 0.860 0.929 1.000 0.857 CA 1.652 15 residues pruned to eliminate duplicates Z: 14 28.807 2.385 0.631 0.912 1.000 0.923 CB 1.454 14 residues pruned to eliminate duplicates Z: 13 19.560 2.015 0.487 0.796 1.000 0.833 CA 1.455 13 residues pruned to eliminate duplicates Z: 13 29.862 2.148 0.698 0.854 1.000 0.750 CA 1.745 13 residues pruned to eliminate duplicates Z: 14 40.713 2.265 0.996 0.938 1.000 0.769 CB 1.737 14 residues pruned to eliminate duplicates Z: 18 58.218 2.476 0.996 0.932 1.000 0.941 CB 1.996 18 residues pruned to eliminate duplicates Z: 17 41.014 2.419 0.625 0.934 1.000 0.938 CB 1.819 17 residues pruned to eliminate duplicates Z: 14 43.814 2.294 1.115 0.932 1.000 0.846 CA 1.749 14 residues pruned to eliminate duplicates Z: 14 32.975 2.287 0.749 0.945 0.923 0.923 CB 1.715 14 residues pruned to eliminate duplicates Z: 14 31.536 2.255 0.622 0.930 1.000 0.846 CB 1.672 14 residues pruned to eliminate duplicates Z: 15 36.581 2.272 0.702 0.896 1.000 0.857 CB 1.811 15 residues pruned to eliminate duplicates Z: 15 32.697 2.265 0.803 0.893 0.929 0.643 CB 1.654 15 residues pruned to eliminate duplicates Z: 18 49.907 2.399 0.909 0.936 1.000 0.824 CB 1.841 18 residues pruned to eliminate duplicates Z: 14 29.673 2.412 0.676 0.918 1.000 0.923 CB 1.435 14 residues pruned to eliminate duplicates Z: 17 51.956 2.517 0.844 0.957 1.000 0.938 CB 1.921 17 residues pruned to eliminate duplicates Z: 14 31.191 2.035 0.883 0.928 1.000 0.846 CB 1.581 14 residues pruned to eliminate duplicates Z: 14 16.126 2.283 0.661 0.395 0.846 0.538 CB 1.556 Z: 17 43.884 2.440 0.703 0.937 1.000 0.875 CB 1.837 17 residues pruned to eliminate duplicates Z: 14 57.873 2.499 1.499 0.861 0.923 0.692 CB 2.046 15 residues pruned to eliminate duplicates Z: 17 29.857 2.160 0.650 0.861 0.938 0.812 CA 1.642 17 residues pruned to eliminate duplicates Z: 14 28.741 2.388 0.754 0.898 0.923 0.846 CB 1.475 14 residues pruned to eliminate duplicates Z: 13 36.942 2.409 0.698 0.928 1.000 0.917 CB 1.825 13 residues pruned to eliminate duplicates Z: 17 49.354 2.461 0.846 0.933 1.000 0.938 CB 1.895 17 residues pruned to eliminate duplicates Z: 12 28.594 2.118 0.807 0.884 1.000 0.818 CA 1.627 16 residues pruned to eliminate duplicates Z: 14 57.105 2.505 1.193 0.890 1.000 0.692 CA 2.075 14 residues pruned to eliminate duplicates Z: 63 57.145 2.412 0.795 0.511 0.903 0.565 CB 1.836 63 residues pruned to eliminate duplicates Z: 13 34.344 2.379 0.650 0.891 1.000 0.917 CB 1.815 13 residues pruned to eliminate duplicates Z: 34 40.642 2.390 0.866 0.507 0.879 0.636 CB 1.792 28 residues pruned to eliminate duplicates Z: 51 59.507 2.326 0.725 0.726 0.940 0.760 CB 1.820 51 residues pruned to eliminate duplicates Z: 15 40.010 2.196 0.970 0.921 1.000 1.000 CA 1.739 15 residues pruned to eliminate duplicates Z: 54 72.820 2.449 0.947 0.672 0.943 0.736 CB 1.897 62 residues pruned to eliminate duplicates Z: 10 13.095 2.023 0.396 0.563 0.889 0.667 CB 1.636 Z: 13 31.414 2.235 0.724 0.886 1.000 1.000 CA 1.699 13 residues pruned to eliminate duplicates Z: 31 45.885 2.315 0.855 0.624 0.900 0.700 CA 1.929 32 residues pruned to eliminate duplicates Z: 12 33.392 2.195 0.978 0.917 1.000 0.818 C 1.636 12 residues pruned to eliminate duplicates Z: 51 65.078 2.363 0.862 0.702 0.940 0.740 CB 1.852 52 residues pruned to eliminate duplicates Z: 18 50.127 2.396 0.879 0.932 1.000 0.882 CB 1.886 18 residues pruned to eliminate duplicates Z: 11 12.847 1.925 0.549 0.468 0.900 0.600 C 1.564 11 residues pruned to eliminate duplicates Z: 28 36.218 2.454 0.789 0.508 0.889 0.593 CB 1.772 28 residues pruned to eliminate duplicates Z: 18 30.843 2.159 0.699 0.804 0.941 0.706 CA 1.662 18 residues pruned to eliminate duplicates Z: 16 16.289 2.204 0.662 0.417 0.867 0.467 CB 1.444 16 residues pruned to eliminate duplicates Z: 18 52.366 2.514 0.803 0.955 1.000 0.882 CA 1.927 18 residues pruned to eliminate duplicates Z: 14 39.530 2.367 0.672 0.917 1.000 0.923 CB 1.954 14 residues pruned to eliminate duplicates Z: 18 46.645 2.389 0.773 0.914 1.000 0.765 CB 1.890 18 residues pruned to eliminate duplicates Z: 13 35.401 2.427 0.739 0.924 1.000 0.917 CB 1.700 13 residues pruned to eliminate duplicates Z: 13 18.976 1.968 0.409 0.861 0.917 0.917 C 1.584 13 residues pruned to eliminate duplicates Z: 18 46.364 2.400 0.813 0.939 1.000 0.882 CB 1.797 18 residues pruned to eliminate duplicates Z: 13 23.304 2.024 0.535 0.889 1.000 0.917 CA 1.559 13 residues pruned to eliminate duplicates Z: 20 29.320 2.234 0.877 0.519 0.947 0.632 CB 1.661 20 residues pruned to eliminate duplicates Z: 6 12.240 2.201 0.897 0.476 0.800 0.600 C 1.679 Z: 25 28.957 2.129 0.709 0.570 0.958 0.708 CB 1.585 7 residues pruned to eliminate duplicates Z: 18 60.741 2.501 1.068 0.927 1.000 0.882 CB 1.996 18 residues pruned to eliminate duplicates Z: 47 44.446 2.512 0.860 0.433 0.826 0.609 CB 1.819 47 residues pruned to eliminate duplicates Z: 13 27.874 2.368 0.471 0.930 1.000 0.917 CB 1.615 13 residues pruned to eliminate duplicates Z: 101 76.831 2.372 0.860 0.580 0.890 0.590 CB 1.811 100 residues pruned to eliminate duplicates Z: 18 60.916 2.513 1.071 0.947 1.000 0.941 CA 1.961 18 residues pruned to eliminate duplicates Z: 18 47.724 2.397 0.755 0.917 1.000 0.941 CA 1.941 18 residues pruned to eliminate duplicates Z: 18 57.515 2.511 0.947 0.951 1.000 0.941 CA 1.966 18 residues pruned to eliminate duplicates Z: 52 62.670 2.371 0.805 0.708 0.941 0.725 CB 1.805 52 residues pruned to eliminate duplicates Z: 21 24.581 2.148 0.639 0.561 0.900 0.500 CA 1.635 21 residues pruned to eliminate duplicates Z: 14 28.766 2.252 0.688 0.914 1.000 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 26 31.812 2.329 0.705 0.499 0.880 0.520 CB 1.823 26 residues pruned to eliminate duplicates Z: 41 50.066 2.280 0.803 0.699 0.950 0.725 CB 1.691 41 residues pruned to eliminate duplicates Z: 13 11.022 2.214 0.355 0.364 0.750 0.500 CB 1.636 13 residues pruned to eliminate duplicates Z: 12 19.324 2.196 0.337 0.913 1.000 1.000 CA 1.404 12 residues pruned to eliminate duplicates Z: 6 2.789 1.633 0.959 0.297 0.600 0.400 CB 0.815 6 residues pruned to eliminate duplicates Z: 12 11.170 1.938 0.735 0.413 0.818 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 18 37.126 2.431 0.755 0.770 0.882 0.647 CA 1.883 18 residues pruned to eliminate duplicates Z: 53 76.099 2.480 0.911 0.701 0.981 0.731 CB 1.890 53 residues pruned to eliminate duplicates Z: 18 36.097 2.274 0.537 0.882 1.000 0.824 CB 1.813 18 residues pruned to eliminate duplicates Z: 32 25.505 2.096 0.739 0.396 0.871 0.516 CB 1.610 31 residues pruned to eliminate duplicates Z: 9 5.790 1.915 0.700 0.415 0.625 0.375 CB 1.100 9 residues pruned to eliminate duplicates Z: 6 4.589 1.577 -0.124 0.734 1.000 0.200 CA 1.205 6 residues pruned to eliminate duplicates Z: 14 25.963 2.232 0.910 0.519 0.923 0.615 CA 1.795 14 residues pruned to eliminate duplicates Z: 39 30.550 2.270 0.888 0.378 0.816 0.553 CB 1.615 39 residues pruned to eliminate duplicates Z: 14 38.692 2.329 0.895 0.898 1.000 0.769 CB 1.739 14 residues pruned to eliminate duplicates Z: 39 42.759 2.553 0.784 0.461 0.868 0.632 CB 1.825 39 residues pruned to eliminate duplicates Z: 53 70.072 2.515 0.753 0.716 0.962 0.769 CB 1.885 53 residues pruned to eliminate duplicates Z: 53 69.732 2.465 0.816 0.680 0.962 0.769 CB 1.904 53 residues pruned to eliminate duplicates Z: 14 33.539 2.314 0.693 0.920 0.923 0.846 C 1.812 14 residues pruned to eliminate duplicates Z: 16 47.609 2.387 0.895 0.908 1.000 0.800 CB 1.929 16 residues pruned to eliminate duplicates Z: 12 21.854 1.992 0.779 0.895 1.000 0.909 CA 1.333 12 residues pruned to eliminate duplicates Z: 24 38.120 2.421 0.926 0.521 0.957 0.696 CB 1.745 24 residues pruned to eliminate duplicates Z: 44 38.440 2.384 0.810 0.481 0.860 0.651 CB 1.609 44 residues pruned to eliminate duplicates Z: 18 28.075 2.095 0.548 0.835 1.000 0.824 CB 1.573 18 residues pruned to eliminate duplicates Z: 9 14.492 1.823 0.616 0.854 1.000 0.875 CB 1.285 8 residues pruned to eliminate duplicates Z: 11 21.914 2.168 0.610 0.896 1.000 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 14 20.787 1.933 1.055 0.573 0.923 0.692 CB 1.465 13 residues pruned to eliminate duplicates Z: 23 26.271 2.155 0.558 0.515 0.909 0.636 CA 1.809 23 residues pruned to eliminate duplicates Z: 18 59.169 2.508 1.023 0.942 1.000 0.941 CA 1.963 18 residues pruned to eliminate duplicates Z: 16 27.589 2.126 0.515 0.868 1.000 0.867 CB 1.616 16 residues pruned to eliminate duplicates Z: 18 32.954 2.157 0.771 0.825 0.941 0.824 CB 1.678 18 residues pruned to eliminate duplicates Z: 14 43.185 2.382 1.012 0.909 1.000 0.846 CB 1.774 14 residues pruned to eliminate duplicates Z: 24 30.953 2.106 0.940 0.505 1.000 0.652 CB 1.571 25 residues pruned to eliminate duplicates Z: 15 30.636 2.113 0.715 0.888 1.000 0.857 CB 1.628 15 residues pruned to eliminate duplicates Z: 21 14.274 2.147 0.445 0.333 0.800 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 18 15.269 1.903 0.856 0.439 0.824 0.471 CB 1.356 18 residues pruned to eliminate duplicates Z: 41 30.768 2.192 0.550 0.437 0.925 0.575 CB 1.652 41 residues pruned to eliminate duplicates Z: 16 21.521 2.003 0.460 0.870 0.933 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 57 65.767 2.376 0.878 0.661 0.946 0.625 CB 1.793 57 residues pruned to eliminate duplicates Z: 9 18.485 2.209 0.798 0.556 0.875 0.625 C 1.780 9 residues pruned to eliminate duplicates Z: 8 10.607 2.333 0.542 0.233 0.857 0.571 CA 1.775 8 residues pruned to eliminate duplicates Z: 28 40.667 2.451 0.780 0.626 0.889 0.630 CB 1.792 28 residues pruned to eliminate duplicates Z: 18 25.413 1.981 0.728 0.764 0.941 0.588 CA 1.513 18 residues pruned to eliminate duplicates Z: 19 19.780 1.945 0.421 0.739 0.889 0.722 CB 1.532 19 residues pruned to eliminate duplicates Z: 25 46.219 2.489 1.001 0.613 0.917 0.708 CB 1.857 20 residues pruned to eliminate duplicates Z: 23 29.242 2.121 0.883 0.548 0.955 0.727 CB 1.560 23 residues pruned to eliminate duplicates Z: 11 11.173 2.251 0.614 0.556 0.700 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 8 9.471 1.632 0.415 0.647 1.000 0.714 C 1.352 8 residues pruned to eliminate duplicates Z: 18 30.025 2.163 0.611 0.831 0.941 0.824 CA 1.669 18 residues pruned to eliminate duplicates Z: 19 26.664 2.015 0.711 0.840 0.889 0.833 CB 1.531 19 residues pruned to eliminate duplicates Z: 7 12.018 2.030 0.598 0.578 0.833 0.667 CA 1.684 7 residues pruned to eliminate duplicates Z: 30 22.882 2.111 0.795 0.360 0.862 0.448 CB 1.513 30 residues pruned to eliminate duplicates Z: 31 40.552 2.457 0.725 0.532 0.900 0.600 CB 1.880 31 residues pruned to eliminate duplicates Z: 14 42.945 2.380 0.897 0.887 1.000 0.923 C 1.902 14 residues pruned to eliminate duplicates Z: 17 18.827 2.195 0.905 0.430 0.750 0.625 CB 1.614 17 residues pruned to eliminate duplicates Z: 8 7.501 2.249 0.630 0.202 0.714 0.429 CA 1.542 8 residues pruned to eliminate duplicates Z: 18 27.193 2.111 0.472 0.819 1.000 0.765 CB 1.609 18 residues pruned to eliminate duplicates Z: 12 17.383 1.902 1.024 0.568 0.818 0.636 CA 1.558 12 residues pruned to eliminate duplicates Z: 31 30.790 2.396 0.709 0.432 0.867 0.500 CB 1.699 31 residues pruned to eliminate duplicates Z: 14 33.377 2.326 1.120 0.915 1.000 0.923 CB 1.327 14 residues pruned to eliminate duplicates Z: 8 4.710 1.998 0.352 0.204 0.714 0.571 CB 1.309 8 residues pruned to eliminate duplicates Z: 19 23.592 1.997 0.549 0.751 0.944 0.722 CA 1.523 19 residues pruned to eliminate duplicates Z: 9 25.504 2.229 0.910 0.804 1.000 0.750 CB 1.624 9 residues pruned to eliminate duplicates Z: 11 5.268 1.934 0.111 0.262 0.700 0.500 CA 1.454 11 residues pruned to eliminate duplicates Z: 29 35.412 2.140 0.692 0.588 0.929 0.714 CB 1.828 29 residues pruned to eliminate duplicates Z: 18 38.478 2.394 0.406 0.934 1.000 0.882 CA 1.932 18 residues pruned to eliminate duplicates Z: 8 3.034 1.495 0.090 0.331 0.857 0.571 N 0.988 Z: 15 39.557 2.295 0.775 0.885 1.000 0.857 CB 1.874 15 residues pruned to eliminate duplicates Z: 18 29.727 2.117 0.627 0.858 0.941 0.882 CA 1.637 18 residues pruned to eliminate duplicates Z: 39 62.696 2.540 1.006 0.613 0.974 0.632 CB 1.843 39 residues pruned to eliminate duplicates Z: 28 27.864 2.133 0.678 0.648 0.852 0.667 CB 1.531 28 residues pruned to eliminate duplicates Z: 27 35.062 2.361 1.045 0.485 0.923 0.654 CB 1.566 27 residues pruned to eliminate duplicates Z: 41 54.315 2.284 0.869 0.700 0.975 0.700 CB 1.720 41 residues pruned to eliminate duplicates Z: 13 42.767 2.528 0.992 0.911 1.000 0.583 CB 1.737 13 residues pruned to eliminate duplicates Z: 44 69.919 2.484 1.133 0.633 0.953 0.721 CB 1.863 44 residues pruned to eliminate duplicates Z: 18 31.539 2.130 0.652 0.821 1.000 0.706 CB 1.646 18 residues pruned to eliminate duplicates Z: 13 35.222 2.341 0.792 0.931 1.000 0.917 CB 1.693 13 residues pruned to eliminate duplicates Z: 14 64.311 2.429 1.634 0.913 1.000 0.692 CA 1.973 14 residues pruned to eliminate duplicates Z: 21 34.299 2.167 0.750 0.746 1.000 0.750 CB 1.623 21 residues pruned to eliminate duplicates Z: 7 7.476 1.527 0.828 0.597 0.833 0.333 CA 1.196 7 residues pruned to eliminate duplicates Z: 30 41.952 2.506 0.805 0.580 0.862 0.655 CB 1.850 30 residues pruned to eliminate duplicates Z: 13 45.833 2.424 1.201 0.918 0.917 0.583 CA 1.909 13 residues pruned to eliminate duplicates Z: 6 6.464 1.640 0.058 0.764 1.000 0.800 N 1.319 6 residues pruned to eliminate duplicates Z: 42 43.976 2.322 0.841 0.504 0.902 0.585 CB 1.773 42 residues pruned to eliminate duplicates Z: 31 43.251 2.264 0.810 0.653 0.933 0.767 CA 1.790 24 residues pruned to eliminate duplicates Z: 18 30.190 2.131 0.588 0.824 1.000 0.765 CA 1.634 18 residues pruned to eliminate duplicates Z: 13 31.101 2.402 0.625 0.904 1.000 0.833 CB 1.639 13 residues pruned to eliminate duplicates Z: 7 14.821 1.880 1.639 0.640 1.000 0.667 CB 1.069 7 residues pruned to eliminate duplicates Z: 7 5.835 1.562 0.044 0.737 0.833 0.500 O 1.418 7 residues pruned to eliminate duplicates Z: 20 47.831 2.518 0.808 0.746 1.000 0.789 CB 1.935 20 residues pruned to eliminate duplicates Z: 7 9.996 2.165 0.690 0.367 0.833 0.333 CA 1.544 7 residues pruned to eliminate duplicates Z: 35 50.137 2.365 0.927 0.628 0.971 0.735 CB 1.724 35 residues pruned to eliminate duplicates Z: 9 12.942 1.734 0.672 0.823 1.000 0.875 CB 1.193 9 residues pruned to eliminate duplicates Z: 62 49.761 2.490 0.939 0.476 0.770 0.541 CB 1.754 62 residues pruned to eliminate duplicates Z: 38 38.947 2.429 0.790 0.507 0.838 0.676 CB 1.746 38 residues pruned to eliminate duplicates Z: 32 24.343 2.086 0.703 0.397 0.871 0.452 CB 1.576 32 residues pruned to eliminate duplicates Z: 18 34.760 2.160 0.759 0.832 1.000 0.706 CA 1.665 18 residues pruned to eliminate duplicates Z: 14 28.914 2.227 0.654 0.922 1.000 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 27 34.841 2.280 0.691 0.637 0.923 0.692 CB 1.688 27 residues pruned to eliminate duplicates Z: 20 52.835 2.581 0.990 0.656 0.947 0.789 C 2.154 20 residues pruned to eliminate duplicates Z: 9 10.354 2.270 0.482 0.348 0.875 0.625 CA 1.466 9 residues pruned to eliminate duplicates Z: 58 52.200 2.431 0.767 0.522 0.877 0.684 CB 1.795 58 residues pruned to eliminate duplicates Z: 38 25.295 2.227 0.535 0.405 0.838 0.568 CB 1.605 38 residues pruned to eliminate duplicates Z: 19 29.446 2.043 0.779 0.753 1.000 0.778 CB 1.524 19 residues pruned to eliminate duplicates Z: 8 30.615 2.228 1.736 0.705 0.857 0.714 C 1.838 7 residues pruned to eliminate duplicates Z: 9 24.519 2.017 1.629 0.702 0.875 0.750 CB 1.555 9 residues pruned to eliminate duplicates Z: 18 34.986 2.128 0.899 0.870 0.941 0.941 CB 1.628 18 residues pruned to eliminate duplicates Z: 6 5.410 1.796 -0.030 0.578 1.000 0.800 C 1.288 6 residues pruned to eliminate duplicates Z: 47 62.802 2.377 0.824 0.703 0.978 0.848 CB 1.815 47 residues pruned to eliminate duplicates Z: 18 7.909 1.966 0.618 0.242 0.588 0.294 CB 1.381 18 residues pruned to eliminate duplicates Z: 8 6.692 1.962 1.090 0.311 0.571 0.429 CA 1.331 8 residues pruned to eliminate duplicates Z: 16 30.640 2.044 0.915 0.774 0.933 0.867 CB 1.700 16 residues pruned to eliminate duplicates Z: 12 11.279 2.130 0.376 0.361 0.818 0.636 CB 1.647 12 residues pruned to eliminate duplicates Z: 12 11.893 1.970 0.941 0.351 0.727 0.545 CB 1.515 12 residues pruned to eliminate duplicates Z: 11 37.844 2.406 0.785 0.932 1.000 0.900 CA 1.945 11 residues pruned to eliminate duplicates Z: 8 4.007 1.780 0.148 0.437 0.714 0.429 CB 1.107 Z: 11 6.179 1.885 0.388 0.491 0.800 0.500 CB 0.941 11 residues pruned to eliminate duplicates Z: 11 17.381 1.802 1.053 0.602 1.000 0.600 C 1.348 11 residues pruned to eliminate duplicates Z: 6 5.849 1.634 -0.229 0.825 1.000 0.800 CA 1.567 6 residues pruned to eliminate duplicates Z: 18 39.152 2.407 0.528 0.943 1.000 0.882 CA 1.789 18 residues pruned to eliminate duplicates Z: 36 47.916 2.301 0.731 0.699 0.914 0.714 CB 1.855 36 residues pruned to eliminate duplicates Z: 14 52.763 2.500 1.351 0.826 1.000 0.846 CB 1.877 14 residues pruned to eliminate duplicates Z: 14 33.514 2.065 0.943 0.935 1.000 1.000 CB 1.614 14 residues pruned to eliminate duplicates Z: 22 27.696 1.996 0.756 0.730 0.905 0.571 CB 1.550 22 residues pruned to eliminate duplicates Z: 15 35.155 2.329 0.817 0.867 0.929 0.714 CB 1.750 15 residues pruned to eliminate duplicates Z: 31 33.748 2.391 0.804 0.424 0.867 0.533 CB 1.783 31 residues pruned to eliminate duplicates Z: 12 21.648 1.949 0.902 0.849 1.000 0.727 CA 1.305 12 residues pruned to eliminate duplicates Z: 21 39.652 2.379 0.879 0.607 0.950 0.750 CA 1.886 21 residues pruned to eliminate duplicates Z: 36 50.062 2.451 0.598 0.658 0.971 0.800 CB 1.921 36 residues pruned to eliminate duplicates Z: 45 67.652 2.452 1.002 0.658 0.977 0.727 CB 1.837 45 residues pruned to eliminate duplicates Z: 17 34.691 2.387 0.640 0.707 0.938 0.812 CB 1.958 17 residues pruned to eliminate duplicates Z: 62 55.191 2.479 0.783 0.500 0.902 0.623 CB 1.773 62 residues pruned to eliminate duplicates Z: 12 27.549 2.123 0.969 0.900 1.000 0.818 CA 1.419 12 residues pruned to eliminate duplicates Z: 22 25.685 2.111 0.696 0.523 0.905 0.476 CB 1.691 22 residues pruned to eliminate duplicates Z: 9 25.921 2.239 1.029 0.659 1.000 0.625 CA 1.740 9 residues pruned to eliminate duplicates Z: 9 18.238 2.119 0.855 0.509 1.000 0.750 CA 1.626 9 residues pruned to eliminate duplicates Z: 20 47.458 2.327 0.862 0.923 1.000 0.842 CA 1.765 20 residues pruned to eliminate duplicates Z: 18 29.411 2.146 0.559 0.833 1.000 0.824 CB 1.600 18 residues pruned to eliminate duplicates Z: 13 17.455 2.195 0.781 0.486 0.833 0.667 CB 1.568 13 residues pruned to eliminate duplicates Z: 28 40.719 2.465 0.786 0.572 0.889 0.741 CB 1.868 28 residues pruned to eliminate duplicates Z: 14 27.535 1.958 0.849 0.892 1.000 0.692 CB 1.515 14 residues pruned to eliminate duplicates Z: 43 56.637 2.295 0.866 0.693 0.976 0.738 CB 1.752 43 residues pruned to eliminate duplicates Z: 38 53.777 2.476 0.778 0.646 0.946 0.784 CB 1.852 38 residues pruned to eliminate duplicates Z: 19 22.999 2.092 0.353 0.812 0.944 0.778 CB 1.546 19 residues pruned to eliminate duplicates Z: 50 67.235 2.374 0.896 0.698 0.980 0.776 CB 1.819 50 residues pruned to eliminate duplicates Z: 47 50.713 2.344 0.851 0.599 0.891 0.717 CB 1.760 47 residues pruned to eliminate duplicates Z: 7 9.079 2.259 0.446 0.281 0.833 0.333 CA 1.744 7 residues pruned to eliminate duplicates Z: 12 11.344 1.750 0.562 0.489 0.818 0.727 CB 1.546 12 residues pruned to eliminate duplicates Z: 30 53.490 2.397 0.975 0.648 0.966 0.690 CB 1.894 33 residues pruned to eliminate duplicates Z: 16 35.622 2.467 1.153 0.506 0.867 0.600 CA 1.987 16 residues pruned to eliminate duplicates Z: 29 49.748 2.399 0.719 0.674 1.000 0.679 CB 1.942 30 residues pruned to eliminate duplicates Z: 31 40.095 2.432 0.635 0.588 0.900 0.667 CB 1.881 31 residues pruned to eliminate duplicates Z: 25 30.470 2.246 0.886 0.435 0.917 0.625 CB 1.713 25 residues pruned to eliminate duplicates Z: 7 6.029 1.706 0.826 0.546 0.833 0.833 CB 0.907 7 residues pruned to eliminate duplicates Z: 17 24.783 2.105 0.649 0.860 0.875 0.750 CB 1.500 17 residues pruned to eliminate duplicates Z: 11 26.801 2.208 0.977 0.900 1.000 0.700 CA 1.387 11 residues pruned to eliminate duplicates Z: 12 27.070 2.027 1.171 0.629 1.000 0.727 C 1.643 12 residues pruned to eliminate duplicates Z: 12 25.910 2.259 0.331 0.924 1.000 1.000 CB 1.826 12 residues pruned to eliminate duplicates Z: 19 44.046 2.383 0.772 0.783 0.944 0.833 CA 2.029 19 residues pruned to eliminate duplicates Z: 46 73.093 2.501 1.056 0.648 0.978 0.733 CB 1.887 46 residues pruned to eliminate duplicates Z: 39 53.329 2.334 1.090 0.658 0.921 0.553 CB 1.663 39 residues pruned to eliminate duplicates Z: 16 52.423 2.528 0.863 0.936 1.000 0.933 CB 2.001 16 residues pruned to eliminate duplicates Z: 42 32.234 2.216 0.690 0.435 0.927 0.512 CB 1.551 42 residues pruned to eliminate duplicates Z: 13 10.826 2.064 0.639 0.446 0.833 0.417 CB 1.172 13 residues pruned to eliminate duplicates Z: 21 33.689 2.351 0.830 0.591 0.950 0.700 CB 1.690 21 residues pruned to eliminate duplicates Z: 40 58.516 2.418 0.794 0.675 0.974 0.718 CB 1.887 40 residues pruned to eliminate duplicates Z: 24 37.345 2.257 0.836 0.676 0.913 0.696 CB 1.750 24 residues pruned to eliminate duplicates Z: 47 55.981 2.395 0.875 0.573 0.935 0.739 CB 1.832 47 residues pruned to eliminate duplicates Z: 35 43.222 2.234 0.838 0.684 0.941 0.647 CB 1.621 35 residues pruned to eliminate duplicates Z: 34 36.635 2.401 0.714 0.504 0.788 0.606 CB 1.959 34 residues pruned to eliminate duplicates Z: 50 52.264 2.587 0.845 0.456 0.837 0.592 CB 1.955 50 residues pruned to eliminate duplicates Z: 25 29.413 2.111 0.651 0.574 0.958 0.667 CB 1.673 25 residues pruned to eliminate duplicates Z: 13 15.642 2.238 0.647 0.497 0.833 0.583 CB 1.475 13 residues pruned to eliminate duplicates Z: 13 49.527 2.456 1.420 0.925 1.000 0.667 CB 1.688 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 54 66.373 2.454 0.794 0.670 0.962 0.774 CB 1.839 54 residues pruned to eliminate duplicates Z: 55 64.981 2.455 0.797 0.672 0.944 0.722 CB 1.811 55 residues pruned to eliminate duplicates Z: 57 65.497 2.435 0.755 0.684 0.964 0.804 CB 1.795 56 residues pruned to eliminate duplicates Z: 16 33.751 2.112 0.776 0.874 1.000 0.867 CB 1.691 16 residues pruned to eliminate duplicates Z: 52 77.469 2.513 0.902 0.691 0.961 0.765 CB 1.983 52 residues pruned to eliminate duplicates Z: 55 73.438 2.454 0.938 0.668 0.963 0.704 CB 1.869 55 residues pruned to eliminate duplicates Z: 52 76.804 2.510 0.941 0.681 0.961 0.745 CB 1.945 52 residues pruned to eliminate duplicates Z: 53 73.130 2.507 0.837 0.698 0.962 0.692 CB 1.912 53 residues pruned to eliminate duplicates Z: 56 72.544 2.456 0.915 0.652 0.964 0.727 CB 1.873 56 residues pruned to eliminate duplicates Z: 53 71.955 2.464 0.900 0.690 0.942 0.769 CB 1.901 53 residues pruned to eliminate duplicates Z: 53 76.883 2.489 0.940 0.689 0.962 0.769 CB 1.930 53 residues pruned to eliminate duplicates Z: 90 74.008 2.410 0.856 0.561 0.933 0.663 CB 1.773 110 residues pruned to eliminate duplicates Z: 19 46.089 2.361 0.931 0.796 1.000 0.778 CA 1.839 19 residues pruned to eliminate duplicates Z: 55 72.808 2.500 0.873 0.683 0.944 0.722 CB 1.893 55 residues pruned to eliminate duplicates Z: 54 69.612 2.482 0.826 0.681 0.962 0.717 CB 1.856 54 residues pruned to eliminate duplicates Z: 62 74.970 2.461 0.870 0.634 0.984 0.770 CB 1.870 62 residues pruned to eliminate duplicates Z: 54 68.625 2.455 0.839 0.671 0.943 0.774 CB 1.891 54 residues pruned to eliminate duplicates Z: 54 75.473 2.521 0.874 0.700 0.962 0.774 CB 1.901 54 residues pruned to eliminate duplicates Z: 6 3.117 1.667 0.500 0.252 0.800 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 52 75.001 2.501 0.908 0.697 0.961 0.725 CB 1.913 52 residues pruned to eliminate duplicates Z: 52 75.263 2.500 0.905 0.691 0.961 0.706 CB 1.934 52 residues pruned to eliminate duplicates Z: 54 72.989 2.469 0.910 0.672 0.981 0.679 CB 1.848 54 residues pruned to eliminate duplicates Z: 51 71.537 2.524 0.866 0.682 0.960 0.720 CB 1.894 51 residues pruned to eliminate duplicates Z: 54 72.709 2.480 0.841 0.702 0.981 0.792 CB 1.855 54 residues pruned to eliminate duplicates Z: 51 80.151 2.556 0.967 0.706 0.960 0.740 CB 1.947 51 residues pruned to eliminate duplicates Z: 60 65.846 2.346 0.926 0.610 0.966 0.695 CB 1.769 60 residues pruned to eliminate duplicates Z: 53 72.763 2.516 0.942 0.692 0.904 0.635 CB 1.917 53 residues pruned to eliminate duplicates Z: 53 73.508 2.486 0.941 0.693 0.942 0.712 CB 1.878 53 residues pruned to eliminate duplicates Z: 53 79.297 2.469 1.000 0.707 0.962 0.769 CB 1.918 54 residues pruned to eliminate duplicates Z: 14 45.621 2.443 1.456 0.924 1.000 0.846 CB 1.481 14 residues pruned to eliminate duplicates Z: 54 77.832 2.456 0.945 0.727 0.981 0.736 CB 1.860 54 residues pruned to eliminate duplicates Z: 14 40.464 2.423 1.251 0.900 1.000 0.692 CB 1.469 14 residues pruned to eliminate duplicates Z: 54 79.178 2.497 1.026 0.678 0.962 0.698 CB 1.896 54 residues pruned to eliminate duplicates Z: 39 69.183 2.577 1.046 0.617 0.974 0.658 CB 1.957 39 residues pruned to eliminate duplicates Z: 52 76.816 2.513 0.938 0.692 0.961 0.745 CB 1.928 52 residues pruned to eliminate duplicates Z: 84 74.290 2.400 0.876 0.576 0.892 0.675 CB 1.888 97 residues pruned to eliminate duplicates Z: 14 32.770 2.321 0.659 0.763 1.000 0.923 C 1.870 14 residues pruned to eliminate duplicates Z: 56 69.836 2.444 0.898 0.644 0.945 0.673 CB 1.877 56 residues pruned to eliminate duplicates Z: 52 83.420 2.535 1.024 0.684 0.980 0.784 CB 1.961 52 residues pruned to eliminate duplicates Z: 53 75.826 2.496 1.026 0.673 0.942 0.712 CB 1.882 53 residues pruned to eliminate duplicates Z: 55 75.120 2.469 0.984 0.658 0.963 0.722 CB 1.872 55 residues pruned to eliminate duplicates Z: 54 78.668 2.490 1.019 0.674 0.962 0.717 CB 1.902 54 residues pruned to eliminate duplicates Z: 32 48.361 2.379 0.769 0.694 0.968 0.871 CB 1.786 32 residues pruned to eliminate duplicates Z: 54 79.813 2.476 1.093 0.669 0.962 0.679 CB 1.881 54 residues pruned to eliminate duplicates Z: 52 85.888 2.532 1.031 0.704 0.980 0.784 CB 1.981 52 residues pruned to eliminate duplicates Z: 53 78.930 2.491 1.117 0.663 0.942 0.635 CB 1.894 53 residues pruned to eliminate duplicates Z: 53 81.321 2.569 0.976 0.705 0.962 0.808 CB 1.918 53 residues pruned to eliminate duplicates Z: 51 63.075 2.370 0.770 0.710 0.940 0.780 CB 1.869 51 residues pruned to eliminate duplicates Z: 54 60.113 2.321 0.755 0.665 0.962 0.642 CB 1.808 54 residues pruned to eliminate duplicates Z: 23 27.503 2.044 0.807 0.659 0.864 0.545 CB 1.587 23 residues pruned to eliminate duplicates Z: 16 22.324 2.016 0.772 0.700 0.933 0.533 CB 1.441 16 residues pruned to eliminate duplicates Z: 41 54.914 2.338 0.794 0.670 0.975 0.650 CB 1.815 41 residues pruned to eliminate duplicates Z: 51 64.018 2.357 0.789 0.710 0.960 0.720 CB 1.848 51 residues pruned to eliminate duplicates Z: 54 63.216 2.324 0.812 0.677 0.981 0.755 CB 1.785 54 residues pruned to eliminate duplicates Z: 51 65.035 2.377 0.820 0.708 0.960 0.720 CB 1.833 52 residues pruned to eliminate duplicates Z: 18 30.793 2.162 0.742 0.794 0.941 0.824 CA 1.629 18 residues pruned to eliminate duplicates Z: 53 61.354 2.354 0.747 0.686 0.962 0.750 CB 1.814 53 residues pruned to eliminate duplicates Z: 54 62.603 2.315 0.786 0.678 0.981 0.774 CB 1.800 54 residues pruned to eliminate duplicates Z: 52 63.365 2.349 0.779 0.715 0.961 0.745 CB 1.818 52 residues pruned to eliminate duplicates Z: 52 65.184 2.380 0.818 0.704 0.961 0.706 CB 1.823 52 residues pruned to eliminate duplicates Z: 51 65.513 2.354 0.779 0.718 0.980 0.780 CB 1.853 51 residues pruned to eliminate duplicates Z: 55 60.202 2.305 0.803 0.682 0.963 0.815 CB 1.732 55 residues pruned to eliminate duplicates Z: 53 59.059 2.285 0.822 0.681 0.942 0.712 CB 1.768 53 residues pruned to eliminate duplicates Z: 51 61.386 2.329 0.775 0.698 0.960 0.760 CB 1.826 51 residues pruned to eliminate duplicates Z: 55 59.044 2.350 0.710 0.688 0.926 0.759 CB 1.817 55 residues pruned to eliminate duplicates Z: 51 61.510 2.339 0.723 0.734 0.980 0.840 CB 1.785 51 residues pruned to eliminate duplicates Z: 52 61.407 2.333 0.722 0.707 0.980 0.784 CB 1.809 52 residues pruned to eliminate duplicates Z: 54 61.791 2.337 0.761 0.680 0.981 0.774 CB 1.781 54 residues pruned to eliminate duplicates Z: 51 65.919 2.350 0.828 0.727 0.980 0.780 CB 1.804 51 residues pruned to eliminate duplicates Z: 52 58.949 2.303 0.782 0.682 0.941 0.745 CB 1.809 52 residues pruned to eliminate duplicates Z: 52 65.543 2.321 0.865 0.721 0.961 0.804 CB 1.808 52 residues pruned to eliminate duplicates Z: 51 61.362 2.343 0.768 0.707 0.960 0.740 CB 1.808 51 residues pruned to eliminate duplicates Z: 50 71.332 2.402 0.857 0.725 0.980 0.837 CB 1.903 50 residues pruned to eliminate duplicates Z: 14 33.968 2.253 0.763 0.914 1.000 0.846 CB 1.677 14 residues pruned to eliminate duplicates Z: 51 63.190 2.352 0.795 0.712 0.940 0.720 CB 1.858 51 residues pruned to eliminate duplicates Z: 52 62.704 2.381 0.804 0.705 0.941 0.784 CB 1.803 52 residues pruned to eliminate duplicates Z: 53 64.247 2.351 0.888 0.680 0.923 0.692 CB 1.843 53 residues pruned to eliminate duplicates Z: 50 68.230 2.411 0.813 0.731 0.959 0.755 CB 1.888 50 residues pruned to eliminate duplicates Z: 82 75.639 2.394 0.833 0.639 0.926 0.691 CB 1.817 82 residues pruned to eliminate duplicates Z: 52 66.170 2.325 0.882 0.717 0.961 0.824 CB 1.812 52 residues pruned to eliminate duplicates Z: 52 66.595 2.343 0.877 0.710 0.961 0.706 CB 1.824 51 residues pruned to eliminate duplicates Z: 14 44.494 2.362 1.128 0.785 1.000 0.769 CB 1.911 14 residues pruned to eliminate duplicates Z: 56 60.710 2.300 0.834 0.671 0.927 0.691 CB 1.787 56 residues pruned to eliminate duplicates Z: 52 65.043 2.356 0.814 0.691 0.980 0.725 CB 1.826 52 residues pruned to eliminate duplicates Z: 52 59.400 2.315 0.806 0.698 0.922 0.745 CB 1.802 52 residues pruned to eliminate duplicates Z: 52 66.075 2.332 0.852 0.703 0.980 0.804 CB 1.817 52 residues pruned to eliminate duplicates Z: 52 65.491 2.350 0.828 0.707 0.980 0.843 CB 1.804 52 residues pruned to eliminate duplicates Z: 55 58.973 2.308 0.766 0.675 0.944 0.722 CB 1.775 55 residues pruned to eliminate duplicates Z: 53 65.071 2.365 0.828 0.692 0.962 0.731 CB 1.820 53 residues pruned to eliminate duplicates Z: 49 50.595 2.261 0.827 0.643 0.917 0.625 CB 1.687 49 residues pruned to eliminate duplicates Z: 48 72.571 2.449 0.840 0.693 0.979 0.809 C 2.012 48 residues pruned to eliminate duplicates Z: 34 54.750 2.356 1.090 0.651 0.909 0.727 CB 1.850 34 residues pruned to eliminate duplicates Z: 58 64.299 2.257 0.951 0.649 0.930 0.702 CB 1.810 58 residues pruned to eliminate duplicates Z: 16 44.250 2.319 1.113 0.715 1.000 0.867 CA 1.919 16 residues pruned to eliminate duplicates Z: 53 62.474 2.300 0.920 0.675 0.923 0.673 CB 1.809 53 residues pruned to eliminate duplicates Z: 55 65.686 2.348 0.876 0.669 0.981 0.815 CB 1.770 55 residues pruned to eliminate duplicates Z: 13 33.611 2.208 0.933 0.743 1.000 0.750 CA 1.829 13 residues pruned to eliminate duplicates Z: 63 65.162 2.298 0.970 0.642 0.919 0.613 CB 1.742 63 residues pruned to eliminate duplicates Z: 82 81.014 2.400 0.909 0.648 0.926 0.765 CB 1.849 82 residues pruned to eliminate duplicates Z: 65 63.451 2.311 0.877 0.629 0.922 0.688 CB 1.757 65 residues pruned to eliminate duplicates Z: 14 10.845 1.936 1.182 0.422 0.692 0.385 CB 1.116 14 residues pruned to eliminate duplicates Z: 13 13.665 2.164 0.959 0.376 0.833 0.500 CB 1.275 13 residues pruned to eliminate duplicates Z: 27 44.202 2.632 0.874 0.554 0.808 0.692 CB 2.064 27 residues pruned to eliminate duplicates Z: 12 10.314 2.001 0.721 0.402 0.818 0.455 CB 1.224 12 residues pruned to eliminate duplicates Z: 81 83.028 2.425 0.928 0.649 0.925 0.713 CB 1.870 81 residues pruned to eliminate duplicates Z: 66 64.084 2.293 0.908 0.640 0.923 0.600 CB 1.726 66 residues pruned to eliminate duplicates Z: 10 14.458 2.314 0.827 0.377 0.778 0.556 CB 1.672 10 residues pruned to eliminate duplicates Z: 66 64.358 2.327 0.896 0.625 0.923 0.646 CB 1.742 66 residues pruned to eliminate duplicates Z: 14 16.659 2.375 1.039 0.297 0.692 0.385 CB 1.729 14 residues pruned to eliminate duplicates Z: 30 40.595 2.374 0.841 0.548 0.862 0.690 CB 1.909 30 residues pruned to eliminate duplicates Z: 21 40.661 2.580 0.783 0.627 0.850 0.700 C 2.063 21 residues pruned to eliminate duplicates Z: 33 46.309 2.595 0.832 0.522 0.844 0.719 CB 1.997 33 residues pruned to eliminate duplicates Z: 29 42.957 2.520 0.952 0.549 0.821 0.679 CB 1.916 29 residues pruned to eliminate duplicates Z: 27 36.506 2.532 0.753 0.485 0.885 0.577 CB 1.850 27 residues pruned to eliminate duplicates Z: 84 64.688 2.452 0.829 0.507 0.855 0.602 CB 1.838 84 residues pruned to eliminate duplicates Z: 18 49.736 2.728 0.778 0.670 0.941 0.765 CB 2.259 18 residues pruned to eliminate duplicates Z: 18 50.257 2.607 0.961 0.684 1.000 0.765 C 2.014 18 residues pruned to eliminate duplicates Z: 29 43.796 2.462 1.146 0.545 0.786 0.536 CB 1.907 29 residues pruned to eliminate duplicates Z: 27 39.337 2.537 0.762 0.500 0.846 0.577 CB 2.039 27 residues pruned to eliminate duplicates Z: 20 45.392 2.657 0.845 0.597 0.895 0.737 CB 2.166 20 residues pruned to eliminate duplicates Z: 81 83.981 2.421 0.951 0.652 0.925 0.675 CB 1.865 81 residues pruned to eliminate duplicates Z: 35 29.463 2.310 0.741 0.474 0.735 0.529 CB 1.754 35 residues pruned to eliminate duplicates Z: 21 42.799 2.571 0.974 0.536 0.900 0.700 CA 2.022 21 residues pruned to eliminate duplicates Z: 19 51.210 2.627 0.941 0.678 0.944 0.722 C 2.128 19 residues pruned to eliminate duplicates Z: 19 44.156 2.703 0.840 0.584 0.889 0.611 CB 2.172 19 residues pruned to eliminate duplicates Z: 19 47.104 2.699 1.106 0.590 0.833 0.778 C 2.151 19 residues pruned to eliminate duplicates Z: 17 44.959 2.630 1.004 0.651 0.938 0.688 CB 1.975 17 residues pruned to eliminate duplicates Z: 19 23.603 2.445 0.575 0.389 0.889 0.389 CB 1.828 19 residues pruned to eliminate duplicates Z: 7 4.263 1.935 0.709 0.240 0.667 0.167 CB 1.066 7 residues pruned to eliminate duplicates Z: 14 17.785 2.489 0.725 0.373 0.769 0.462 CB 1.710 14 residues pruned to eliminate duplicates Z: 16 15.777 2.206 0.756 0.380 0.867 0.467 CB 1.379 16 residues pruned to eliminate duplicates Z: 32 48.517 2.625 0.905 0.525 0.903 0.548 CB 1.882 32 residues pruned to eliminate duplicates Z: 15 17.018 2.472 0.423 0.403 0.857 0.571 CB 1.672 15 residues pruned to eliminate duplicates Z: 21 20.253 2.481 0.423 0.361 0.850 0.450 CB 1.753 21 residues pruned to eliminate duplicates Z: 20 19.472 2.366 0.663 0.347 0.789 0.474 CB 1.698 20 residues pruned to eliminate duplicates Z: 20 19.298 2.417 0.573 0.336 0.789 0.526 CB 1.764 20 residues pruned to eliminate duplicates Z: 100 81.645 2.400 0.936 0.563 0.919 0.626 CB 1.806 100 residues pruned to eliminate duplicates Z: 61 43.950 2.377 0.802 0.397 0.850 0.517 CB 1.738 61 residues pruned to eliminate duplicates Z: 38 49.418 2.592 0.983 0.496 0.811 0.676 CB 1.958 38 residues pruned to eliminate duplicates Z: 39 44.817 2.522 0.739 0.498 0.868 0.605 CB 1.912 39 residues pruned to eliminate duplicates Z: 17 17.405 2.318 0.550 0.318 0.750 0.500 CB 1.975 17 residues pruned to eliminate duplicates Z: 13 6.472 1.996 0.463 0.124 0.833 0.250 CB 1.231 13 residues pruned to eliminate duplicates Z: 7 10.660 2.059 0.679 0.507 0.833 0.667 CB 1.501 7 residues pruned to eliminate duplicates Z: 54 52.951 2.383 0.790 0.539 0.887 0.528 CB 1.851 54 residues pruned to eliminate duplicates Z: 31 35.056 2.378 0.786 0.453 0.900 0.533 CB 1.758 31 residues pruned to eliminate duplicates Z: 32 34.240 2.322 0.892 0.429 0.871 0.484 CB 1.730 32 residues pruned to eliminate duplicates Z: 42 34.234 2.399 0.793 0.348 0.829 0.488 CB 1.768 42 residues pruned to eliminate duplicates Z: 26 32.646 2.309 0.956 0.451 0.880 0.560 CB 1.728 26 residues pruned to eliminate duplicates Z: 19 17.619 2.146 0.772 0.318 0.833 0.389 CB 1.603 19 residues pruned to eliminate duplicates Z: 19 18.094 2.171 0.733 0.427 0.833 0.500 CB 1.467 19 residues pruned to eliminate duplicates Z: 45 36.059 2.385 0.628 0.424 0.886 0.523 CB 1.711 45 residues pruned to eliminate duplicates Z: 48 60.750 2.449 0.937 0.575 0.936 0.660 CB 1.857 48 residues pruned to eliminate duplicates Z: 25 36.951 2.284 1.105 0.472 0.917 0.542 CB 1.760 25 residues pruned to eliminate duplicates Z: 58 60.947 2.441 0.898 0.527 0.930 0.596 CB 1.825 58 residues pruned to eliminate duplicates Z: 28 37.432 2.402 0.900 0.470 0.926 0.630 CB 1.758 28 residues pruned to eliminate duplicates Z: 54 56.059 2.404 0.802 0.538 0.925 0.660 CB 1.853 54 residues pruned to eliminate duplicates Z: 51 60.401 2.384 0.936 0.581 0.920 0.720 CB 1.860 51 residues pruned to eliminate duplicates Z: 42 39.777 2.450 0.755 0.439 0.878 0.634 CB 1.753 42 residues pruned to eliminate duplicates Z: 63 55.058 2.486 0.827 0.483 0.871 0.645 CB 1.799 63 residues pruned to eliminate duplicates Z: 45 39.777 2.370 0.698 0.466 0.886 0.545 CB 1.741 45 residues pruned to eliminate duplicates Z: 28 29.522 2.298 0.681 0.492 0.889 0.593 CB 1.669 28 residues pruned to eliminate duplicates Z: 14 15.624 2.282 0.670 0.368 0.846 0.615 CB 1.548 14 residues pruned to eliminate duplicates Z: 27 32.354 2.344 0.878 0.482 0.846 0.577 CB 1.734 27 residues pruned to eliminate duplicates Z: 59 56.055 2.531 0.875 0.450 0.879 0.569 CB 1.858 59 residues pruned to eliminate duplicates Z: 35 59.698 2.489 0.996 0.619 0.912 0.647 CB 2.019 35 residues pruned to eliminate duplicates Z: 12 10.693 2.060 0.986 0.287 0.727 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 12 9.798 2.021 0.816 0.269 0.818 0.455 CB 1.280 12 residues pruned to eliminate duplicates Z: 26 39.692 2.371 0.820 0.589 0.880 0.640 CB 1.920 26 residues pruned to eliminate duplicates Z: 24 42.388 2.400 0.792 0.653 0.913 0.609 CB 1.952 24 residues pruned to eliminate duplicates Z: 37 46.647 2.412 0.985 0.552 0.861 0.639 CB 1.793 37 residues pruned to eliminate duplicates Z: 23 51.461 2.475 0.941 0.649 0.955 0.682 CB 2.082 23 residues pruned to eliminate duplicates Z: 23 50.489 2.411 1.037 0.693 0.955 0.682 CB 1.924 23 residues pruned to eliminate duplicates Z: 24 48.976 2.338 0.913 0.707 1.000 0.739 CB 1.892 24 residues pruned to eliminate duplicates Z: 65 58.927 2.431 0.776 0.507 0.922 0.609 CB 1.838 65 residues pruned to eliminate duplicates Z: 24 48.459 2.354 0.968 0.677 1.000 0.870 CB 1.854 24 residues pruned to eliminate duplicates Z: 23 53.942 2.472 0.929 0.716 1.000 0.818 CB 1.983 23 residues pruned to eliminate duplicates Z: 25 48.531 2.383 1.042 0.689 0.917 0.625 CB 1.868 25 residues pruned to eliminate duplicates Z: 25 41.735 2.319 0.819 0.627 0.958 0.917 CB 1.871 25 residues pruned to eliminate duplicates Z: 23 51.034 2.462 0.941 0.647 0.955 0.864 CB 2.080 23 residues pruned to eliminate duplicates Z: 25 42.939 2.316 0.867 0.645 0.917 0.708 CB 1.932 25 residues pruned to eliminate duplicates Z: 23 48.261 2.448 0.786 0.695 0.955 0.818 CB 2.063 23 residues pruned to eliminate duplicates Z: 66 63.934 2.413 0.907 0.535 0.938 0.677 CB 1.775 66 residues pruned to eliminate duplicates Z: 25 42.094 2.365 0.825 0.670 0.917 0.708 CB 1.856 25 residues pruned to eliminate duplicates Z: 23 55.839 2.473 0.855 0.732 1.000 0.818 CA 2.107 23 residues pruned to eliminate duplicates Z: 24 47.244 2.364 0.896 0.685 0.957 0.826 CB 1.939 24 residues pruned to eliminate duplicates Z: 24 37.368 2.396 0.657 0.657 0.870 0.652 CB 1.950 24 residues pruned to eliminate duplicates Z: 48 58.211 2.450 0.844 0.551 0.957 0.702 CB 1.868 48 residues pruned to eliminate duplicates Z: 22 50.011 2.476 0.732 0.722 1.000 0.714 CB 2.084 22 residues pruned to eliminate duplicates Z: 24 49.357 2.390 0.823 0.696 1.000 0.870 CB 1.975 24 residues pruned to eliminate duplicates Z: 28 57.546 2.622 1.267 0.543 0.926 0.704 CB 1.929 28 residues pruned to eliminate duplicates Z: 44 44.114 2.495 0.863 0.444 0.837 0.512 CB 1.831 44 residues pruned to eliminate duplicates Z: 31 44.922 2.434 1.065 0.523 0.900 0.567 CB 1.772 31 residues pruned to eliminate duplicates Z: 67 47.236 2.293 0.855 0.475 0.879 0.545 CB 1.595 67 residues pruned to eliminate duplicates Z: 66 53.118 2.379 0.804 0.515 0.862 0.554 CB 1.755 66 residues pruned to eliminate duplicates Z: 9 18.408 2.414 1.321 0.496 0.750 0.375 CB 1.555 Z: 6 7.719 1.484 1.675 0.396 0.800 0.600 N 1.214 6 residues pruned to eliminate duplicates Z: 6 6.353 1.990 1.333 0.296 0.800 0.400 CB 0.960 5 residues pruned to eliminate duplicates Z: 7 4.726 1.759 0.431 0.209 0.833 0.000 CA 1.297 Z: 19 48.582 2.514 0.991 0.704 0.944 0.778 CA 2.012 26 residues pruned to eliminate duplicates Z: 21 38.691 2.557 0.800 0.590 0.850 0.700 CB 2.028 21 residues pruned to eliminate duplicates Z: 21 46.947 2.371 1.051 0.619 1.000 0.750 CA 1.928 21 residues pruned to eliminate duplicates Z: 19 53.620 2.565 1.163 0.682 0.889 0.778 C 2.167 19 residues pruned to eliminate duplicates Z: 18 56.396 2.573 1.177 0.711 0.941 0.765 CA 2.143 18 residues pruned to eliminate duplicates Z: 19 45.130 2.516 1.040 0.642 0.889 0.611 CA 2.042 19 residues pruned to eliminate duplicates Z: 20 56.049 2.594 1.192 0.608 0.947 0.632 CB 2.153 20 residues pruned to eliminate duplicates Z: 33 42.055 2.498 0.776 0.493 0.875 0.594 CB 1.929 33 residues pruned to eliminate duplicates Z: 20 46.623 2.571 1.104 0.608 0.895 0.789 CB 1.995 20 residues pruned to eliminate duplicates Z: 20 53.009 2.613 1.029 0.597 0.947 0.632 CB 2.207 20 residues pruned to eliminate duplicates Z: 17 63.337 2.651 1.179 0.743 1.000 0.688 CA 2.205 17 residues pruned to eliminate duplicates Z: 18 56.965 2.623 0.991 0.697 1.000 0.765 CB 2.210 18 residues pruned to eliminate duplicates Z: 20 50.487 2.492 1.148 0.655 0.895 0.684 CB 2.093 20 residues pruned to eliminate duplicates Z: 55 39.774 2.286 0.675 0.489 0.870 0.537 CB 1.643 55 residues pruned to eliminate duplicates Z: 41 46.262 2.496 0.842 0.512 0.900 0.525 CB 1.748 41 residues pruned to eliminate duplicates Z: 39 35.151 2.322 0.634 0.498 0.921 0.605 CB 1.635 39 residues pruned to eliminate duplicates Z: 46 35.562 2.425 0.591 0.427 0.844 0.511 CB 1.754 46 residues pruned to eliminate duplicates Z: 14 11.100 2.287 0.394 0.339 0.769 0.462 CB 1.495 14 residues pruned to eliminate duplicates Z: 13 12.429 2.298 0.490 0.405 0.750 0.583 CB 1.544 13 residues pruned to eliminate duplicates Z: 60 50.327 2.304 0.778 0.504 0.915 0.525 CB 1.740 60 residues pruned to eliminate duplicates Z: 31 49.189 2.463 0.888 0.594 0.900 0.600 CB 1.963 31 residues pruned to eliminate duplicates Z: 13 13.236 2.313 0.508 0.371 0.750 0.500 CB 1.677 13 residues pruned to eliminate duplicates Z: 14 13.941 2.334 0.674 0.378 0.692 0.385 CB 1.629 14 residues pruned to eliminate duplicates Z: 30 29.079 2.137 0.956 0.376 0.897 0.552 CB 1.644 30 residues pruned to eliminate duplicates Z: 9 14.784 2.233 0.674 0.337 0.875 0.625 CA 1.909 9 residues pruned to eliminate duplicates Z: 36 40.986 2.421 0.771 0.513 0.829 0.543 CB 1.925 36 residues pruned to eliminate duplicates Z: 8 16.044 2.562 0.606 0.363 0.857 0.429 CB 1.992 8 residues pruned to eliminate duplicates Z: 65 43.758 2.204 0.640 0.494 0.906 0.594 CB 1.681 65 residues pruned to eliminate duplicates Z: 23 20.078 2.200 0.624 0.374 0.864 0.545 CB 1.587 23 residues pruned to eliminate duplicates Z: 30 28.603 2.086 0.949 0.441 0.931 0.552 CB 1.491 30 residues pruned to eliminate duplicates Z: 41 38.252 2.395 0.814 0.401 0.850 0.575 CB 1.817 41 residues pruned to eliminate duplicates Z: 13 17.650 2.241 0.765 0.382 0.833 0.583 CB 1.752 13 residues pruned to eliminate duplicates Z: 28 25.175 2.104 0.895 0.409 0.889 0.519 CB 1.505 28 residues pruned to eliminate duplicates Z: 35 21.211 2.200 0.638 0.335 0.794 0.500 CB 1.522 35 residues pruned to eliminate duplicates Z: 20 20.223 2.052 0.946 0.401 0.895 0.526 CB 1.442 20 residues pruned to eliminate duplicates Z: 27 27.811 2.092 0.950 0.458 0.885 0.654 CB 1.578 27 residues pruned to eliminate duplicates Z: 66 54.407 2.331 0.792 0.529 0.908 0.646 CB 1.730 66 residues pruned to eliminate duplicates Z: 14 24.513 2.375 0.809 0.440 0.923 0.615 CB 1.823 14 residues pruned to eliminate duplicates Z: 39 27.317 2.226 0.597 0.418 0.842 0.526 CB 1.612 39 residues pruned to eliminate duplicates Z: 28 28.015 2.217 0.600 0.491 0.963 0.593 CB 1.593 28 residues pruned to eliminate duplicates Z: 30 28.027 2.152 0.766 0.435 0.966 0.621 CB 1.517 30 residues pruned to eliminate duplicates Z: 23 20.906 2.156 0.684 0.409 0.864 0.545 CB 1.564 23 residues pruned to eliminate duplicates Z: 28 24.055 2.140 0.572 0.429 0.963 0.593 CB 1.538 28 residues pruned to eliminate duplicates Z: 38 27.728 2.230 0.660 0.395 0.865 0.568 CB 1.591 38 residues pruned to eliminate duplicates Z: 37 37.133 2.143 0.933 0.470 0.944 0.639 CB 1.631 37 residues pruned to eliminate duplicates Z: 59 46.425 2.240 0.717 0.491 0.897 0.672 CB 1.784 66 residues pruned to eliminate duplicates Z: 19 50.962 2.446 0.833 0.836 1.000 1.000 CA 2.005 19 residues pruned to eliminate duplicates Z: 21 58.388 2.495 1.041 0.726 1.000 0.850 CB 2.091 21 residues pruned to eliminate duplicates Z: 29 54.456 2.468 0.785 0.687 0.964 0.821 CB 2.041 29 residues pruned to eliminate duplicates Z: 21 51.837 2.490 0.945 0.726 0.950 0.800 CB 2.055 21 residues pruned to eliminate duplicates Z: 30 52.585 2.390 0.880 0.689 0.931 0.793 CA 1.963 30 residues pruned to eliminate duplicates Z: 31 52.222 2.357 0.839 0.662 0.967 0.767 CB 1.958 31 residues pruned to eliminate duplicates Z: 37 45.933 2.234 0.917 0.569 0.889 0.639 CB 1.881 37 residues pruned to eliminate duplicates Z: 22 47.999 2.444 0.919 0.680 0.952 0.762 CA 1.988 22 residues pruned to eliminate duplicates Z: 21 53.270 2.486 0.988 0.723 0.950 0.800 CB 2.074 21 residues pruned to eliminate duplicates Z: 30 45.552 2.350 0.781 0.657 0.931 0.724 CB 1.877 30 residues pruned to eliminate duplicates Z: 49 40.684 2.170 0.750 0.477 0.875 0.729 CB 1.808 49 residues pruned to eliminate duplicates Z: 23 46.380 2.427 1.046 0.663 0.909 0.773 CB 1.884 23 residues pruned to eliminate duplicates Z: 29 54.387 2.393 0.982 0.658 0.964 0.857 CA 1.941 29 residues pruned to eliminate duplicates Z: 18 55.223 2.495 0.941 0.943 1.000 0.824 CA 1.917 18 residues pruned to eliminate duplicates Z: 30 55.185 2.394 0.930 0.662 0.966 0.862 CB 1.977 29 residues pruned to eliminate duplicates Z: 18 54.893 2.497 0.889 0.930 1.000 0.824 CA 1.974 18 residues pruned to eliminate duplicates Z: 47 50.543 2.309 0.732 0.579 0.978 0.761 CB 1.766 47 residues pruned to eliminate duplicates Z: 30 55.520 2.367 0.960 0.666 0.966 0.862 CA 1.974 30 residues pruned to eliminate duplicates Z: 10 14.966 2.099 0.594 0.495 0.889 0.778 C 1.686 10 residues pruned to eliminate duplicates Z: 26 27.060 2.223 0.619 0.498 0.880 0.760 CB 1.713 26 residues pruned to eliminate duplicates Z: 27 39.734 2.258 0.851 0.530 0.962 0.692 CB 1.882 27 residues pruned to eliminate duplicates Z: 42 38.687 2.262 0.546 0.532 0.902 0.683 CB 1.855 42 residues pruned to eliminate duplicates Z: 31 49.193 2.320 0.824 0.625 1.000 0.667 CB 1.886 31 residues pruned to eliminate duplicates Z: 30 52.740 2.364 0.838 0.653 1.000 0.759 CB 1.954 30 residues pruned to eliminate duplicates Z: 11 15.895 2.022 0.573 0.556 0.900 0.600 CB 1.662 11 residues pruned to eliminate duplicates 267 residues left after pruning, divided into chains as follows: A: 7 B: 260 CC for partial structure against native data = 33.84 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.406, Connect. = 0.778 for dens.mod. cycle 1 = 0.300, Contrast = 0.463, Connect. = 0.799 for dens.mod. cycle 2 = 0.300, Contrast = 0.555, Connect. = 0.829 for dens.mod. cycle 3 = 0.300, Contrast = 0.566, Connect. = 0.833 for dens.mod. cycle 4 = 0.300, Contrast = 0.578, Connect. = 0.837 for dens.mod. cycle 5 = 0.300, Contrast = 0.585, Connect. = 0.840 for dens.mod. cycle 6 = 0.300, Contrast = 0.592, Connect. = 0.841 for dens.mod. cycle 7 = 0.300, Contrast = 0.597, Connect. = 0.843 for dens.mod. cycle 8 = 0.300, Contrast = 0.601, Connect. = 0.844 for dens.mod. cycle 9 = 0.300, Contrast = 0.604, Connect. = 0.845 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2133 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 417 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 57.582 2.753 0.965 0.914 1.000 0.818 C 2.270 B: 15 43.292 2.289 0.907 0.875 1.000 0.786 C 1.929 15 residues pruned to eliminate duplicates C: 13 46.707 2.518 0.871 0.913 1.000 0.917 CB 2.026 13 residues pruned to eliminate duplicates D: 14 50.953 2.546 0.850 0.916 1.000 0.923 C 2.120 13 residues pruned to eliminate duplicates E: 14 48.446 2.521 0.820 0.903 1.000 0.923 CA 2.088 14 residues pruned to eliminate duplicates F: 13 58.345 2.738 0.941 0.931 1.000 0.917 CB 2.214 13 residues pruned to eliminate duplicates G: 14 43.099 2.386 1.054 0.859 0.923 0.846 CA 1.944 14 residues pruned to eliminate duplicates H: 10 9.984 2.390 0.733 0.381 0.667 0.556 CB 1.367 I: 13 54.350 2.502 1.223 0.886 1.000 0.833 C 2.035 13 residues pruned to eliminate duplicates J: 9 17.570 2.508 1.625 0.453 0.750 0.375 CB 1.320 K: 19 47.875 2.375 0.738 0.925 1.000 0.944 CA 1.919 L: 14 36.109 2.458 0.841 0.886 0.846 0.846 C 1.888 14 residues pruned to eliminate duplicates M: 15 31.407 2.315 0.758 0.869 0.786 0.714 CA 1.917 15 residues pruned to eliminate duplicates N: 14 38.587 2.376 1.252 0.937 1.000 0.846 CB 1.392 O: 14 36.994 2.444 1.086 0.922 1.000 0.769 CB 1.415 14 residues pruned to eliminate duplicates P: 13 41.576 2.431 0.750 0.926 1.000 1.000 CA 1.978 Q: 17 49.897 2.504 0.770 0.949 1.000 0.875 CA 1.942 17 residues pruned to eliminate duplicates R: 14 50.162 2.442 1.059 0.889 1.000 0.923 CA 1.992 13 residues pruned to eliminate duplicates S: 14 44.224 2.462 1.303 0.928 1.000 0.692 CB 1.515 14 residues pruned to eliminate duplicates T: 17 49.012 2.229 1.155 0.851 1.000 0.688 CB 1.888 14 residues pruned to eliminate duplicates U: 14 41.989 2.441 1.097 0.924 1.000 0.923 CB 1.598 14 residues pruned to eliminate duplicates V: 13 55.683 2.679 0.891 0.925 1.000 0.917 C 2.228 13 residues pruned to eliminate duplicates W: 13 45.086 2.553 0.910 0.928 1.000 0.833 CA 1.869 13 residues pruned to eliminate duplicates X: 20 36.050 2.302 0.438 0.913 1.000 0.842 CA 1.767 20 residues pruned to eliminate duplicates Y: 34 41.681 2.603 0.682 0.524 0.848 0.606 CB 1.907 20 residues pruned to eliminate duplicates Z: 14 44.812 2.484 1.037 0.935 0.923 0.923 C 1.855 14 residues pruned to eliminate duplicates Z: 16 51.994 2.544 0.838 0.938 1.000 0.800 CB 1.996 16 residues pruned to eliminate duplicates Z: 16 48.915 2.592 0.628 0.934 1.000 0.933 CB 2.087 18 residues pruned to eliminate duplicates Z: 14 45.737 2.448 0.871 0.909 1.000 0.692 C 1.965 14 residues pruned to eliminate duplicates Z: 11 32.745 2.347 0.695 0.880 1.000 0.900 CA 1.886 Z: 14 59.768 2.493 1.375 0.894 1.000 0.769 CA 2.009 15 residues pruned to eliminate duplicates Z: 11 30.218 2.395 0.458 0.927 1.000 0.900 CB 1.918 10 residues pruned to eliminate duplicates Z: 15 49.249 2.390 1.072 0.902 0.929 0.714 CB 2.042 15 residues pruned to eliminate duplicates Z: 14 41.911 2.456 0.987 0.927 1.000 0.846 CB 1.668 14 residues pruned to eliminate duplicates Z: 15 48.524 2.559 0.754 0.950 1.000 1.000 CA 1.992 15 residues pruned to eliminate duplicates Z: 19 42.062 2.333 0.683 0.910 1.000 0.833 CA 1.790 19 residues pruned to eliminate duplicates Z: 14 45.980 2.452 1.381 0.928 1.000 0.615 CB 1.530 14 residues pruned to eliminate duplicates Z: 16 47.708 2.267 1.043 0.913 1.000 0.867 CB 1.883 16 residues pruned to eliminate duplicates Z: 13 48.492 2.467 1.222 0.902 1.000 0.917 CB 1.822 13 residues pruned to eliminate duplicates Z: 17 49.316 2.512 0.776 0.947 1.000 0.875 CB 1.910 18 residues pruned to eliminate duplicates Z: 12 34.290 2.321 0.769 0.851 1.000 0.909 C 1.865 12 residues pruned to eliminate duplicates Z: 51 67.361 2.395 0.765 0.720 0.960 0.780 CB 1.924 Z: 13 35.959 2.418 0.624 0.923 1.000 0.917 CB 1.858 13 residues pruned to eliminate duplicates Z: 19 48.372 2.383 0.747 0.946 1.000 0.944 CA 1.894 19 residues pruned to eliminate duplicates Z: 15 57.972 2.426 1.337 0.936 1.000 0.929 CA 1.904 15 residues pruned to eliminate duplicates Z: 19 41.608 2.432 0.616 0.888 0.944 0.889 CB 1.904 16 residues pruned to eliminate duplicates Z: 12 35.353 2.252 0.918 0.862 1.000 0.727 C 1.812 12 residues pruned to eliminate duplicates Z: 12 26.108 2.121 0.664 0.886 1.000 0.909 CA 1.609 12 residues pruned to eliminate duplicates Z: 13 34.411 2.526 0.678 0.926 1.000 0.917 CB 1.644 13 residues pruned to eliminate duplicates Z: 12 23.689 2.114 0.654 0.838 0.909 0.818 C 1.679 12 residues pruned to eliminate duplicates Z: 11 14.783 2.453 1.007 0.400 0.700 0.400 CB 1.507 8 residues pruned to eliminate duplicates Z: 12 33.220 2.237 0.856 0.864 1.000 0.909 CA 1.769 12 residues pruned to eliminate duplicates Z: 13 30.726 2.304 0.581 0.870 1.000 0.750 CA 1.776 13 residues pruned to eliminate duplicates Z: 15 40.013 2.481 0.835 0.884 0.929 0.786 CB 1.828 15 residues pruned to eliminate duplicates Z: 13 39.902 2.322 0.932 0.926 0.917 0.833 CB 1.964 13 residues pruned to eliminate duplicates Z: 19 43.314 2.359 0.950 0.777 0.944 0.722 CA 1.840 Z: 13 55.033 2.560 1.470 0.946 1.000 0.833 CB 1.738 14 residues pruned to eliminate duplicates Z: 12 30.515 2.306 0.594 0.871 1.000 0.818 CA 1.826 12 residues pruned to eliminate duplicates Z: 13 53.671 2.609 1.237 0.929 0.917 0.917 CA 2.026 13 residues pruned to eliminate duplicates Z: 14 49.016 2.493 1.312 0.887 0.923 0.846 C 1.842 14 residues pruned to eliminate duplicates Z: 15 33.856 2.276 0.776 0.890 1.000 0.857 CB 1.611 15 residues pruned to eliminate duplicates Z: 18 47.286 2.490 0.676 0.921 1.000 0.882 CB 1.935 18 residues pruned to eliminate duplicates Z: 17 53.864 2.514 0.885 0.940 1.000 0.938 CB 1.973 20 residues pruned to eliminate duplicates Z: 13 39.636 2.368 0.974 0.913 1.000 0.667 CB 1.732 13 residues pruned to eliminate duplicates Z: 7 21.262 2.264 0.443 0.861 1.000 1.000 C 1.952 7 residues pruned to eliminate duplicates Z: 16 45.670 2.277 1.141 0.870 0.933 0.600 CB 1.891 16 residues pruned to eliminate duplicates Z: 18 43.114 2.461 0.545 0.940 1.000 0.882 CB 1.910 18 residues pruned to eliminate duplicates Z: 19 53.354 2.352 0.934 0.948 1.000 0.833 CB 1.909 18 residues pruned to eliminate duplicates Z: 18 51.775 2.473 0.839 0.948 1.000 0.941 CB 1.906 18 residues pruned to eliminate duplicates Z: 52 43.500 2.410 0.667 0.442 0.863 0.608 CB 1.865 31 residues pruned to eliminate duplicates Z: 16 43.699 2.522 0.573 0.946 1.000 1.000 CA 1.967 16 residues pruned to eliminate duplicates Z: 15 39.636 2.390 1.154 0.868 0.786 0.714 CA 1.915 15 residues pruned to eliminate duplicates Z: 20 42.558 2.249 0.801 0.937 0.947 0.842 CB 1.771 19 residues pruned to eliminate duplicates Z: 12 22.189 2.148 0.960 0.603 0.909 0.636 CB 1.585 12 residues pruned to eliminate duplicates Z: 40 49.111 2.499 0.867 0.492 0.846 0.615 CB 2.008 40 residues pruned to eliminate duplicates Z: 41 50.653 2.558 0.935 0.503 0.850 0.650 CB 1.898 36 residues pruned to eliminate duplicates Z: 24 35.840 2.412 0.888 0.533 0.870 0.522 CB 1.827 22 residues pruned to eliminate duplicates Z: 14 46.899 2.414 1.251 0.877 0.923 0.538 CB 1.883 14 residues pruned to eliminate duplicates Z: 13 43.579 2.450 0.937 0.937 1.000 0.750 CB 1.845 13 residues pruned to eliminate duplicates Z: 14 39.623 2.325 0.842 0.881 1.000 0.846 C 1.858 14 residues pruned to eliminate duplicates Z: 13 33.276 2.073 1.073 0.891 1.000 0.833 CA 1.607 12 residues pruned to eliminate duplicates Z: 14 21.546 2.094 0.803 0.528 0.923 0.692 CA 1.668 14 residues pruned to eliminate duplicates Z: 15 34.283 2.296 0.739 0.886 1.000 0.857 CB 1.655 15 residues pruned to eliminate duplicates Z: 11 22.234 2.206 0.691 0.871 1.000 0.700 CA 1.375 11 residues pruned to eliminate duplicates Z: 32 43.490 2.423 0.800 0.565 0.935 0.710 CB 1.799 20 residues pruned to eliminate duplicates Z: 16 36.665 2.216 0.771 0.883 1.000 0.800 CA 1.744 16 residues pruned to eliminate duplicates Z: 17 55.090 2.520 0.899 0.950 1.000 0.875 CA 1.986 17 residues pruned to eliminate duplicates Z: 53 70.792 2.513 0.898 0.669 0.942 0.654 CB 1.869 45 residues pruned to eliminate duplicates Z: 13 45.854 2.380 1.065 0.927 1.000 0.833 CA 1.888 13 residues pruned to eliminate duplicates Z: 14 37.958 2.308 0.903 0.944 0.923 0.923 CB 1.799 14 residues pruned to eliminate duplicates Z: 14 50.590 2.559 0.967 0.920 0.923 0.846 CB 2.127 14 residues pruned to eliminate duplicates Z: 19 30.269 2.080 0.733 0.828 0.944 0.833 CA 1.578 19 residues pruned to eliminate duplicates Z: 13 33.444 2.515 0.601 0.907 1.000 0.833 CB 1.704 13 residues pruned to eliminate duplicates Z: 13 41.474 2.522 0.973 0.934 1.000 0.833 CB 1.677 13 residues pruned to eliminate duplicates Z: 14 29.318 2.271 0.557 0.919 1.000 0.923 CB 1.621 14 residues pruned to eliminate duplicates Z: 14 41.722 2.400 0.706 0.897 1.000 0.923 CA 2.023 14 residues pruned to eliminate duplicates Z: 14 30.168 2.363 0.718 0.908 1.000 0.923 CB 1.463 14 residues pruned to eliminate duplicates Z: 12 37.997 2.251 0.979 0.909 1.000 0.909 CA 1.825 12 residues pruned to eliminate duplicates Z: 17 48.988 2.505 0.692 0.950 1.000 1.000 CA 1.993 17 residues pruned to eliminate duplicates Z: 53 67.110 2.393 0.832 0.688 0.942 0.808 CB 1.897 53 residues pruned to eliminate duplicates Z: 19 42.312 2.428 0.637 0.895 1.000 0.778 CA 1.798 19 residues pruned to eliminate duplicates Z: 12 49.968 2.544 1.079 0.939 1.000 0.909 CB 1.980 12 residues pruned to eliminate duplicates Z: 11 33.573 2.443 0.610 0.915 1.000 0.800 CA 1.907 11 residues pruned to eliminate duplicates Z: 16 39.186 2.300 0.837 0.934 1.000 0.800 CB 1.670 Z: 12 19.857 2.124 0.536 0.877 0.909 0.909 CA 1.466 12 residues pruned to eliminate duplicates Z: 14 33.634 2.369 0.562 0.914 1.000 0.846 CB 1.784 14 residues pruned to eliminate duplicates Z: 82 50.221 2.358 0.680 0.481 0.852 0.556 CB 1.686 114 residues pruned to eliminate duplicates Z: 17 37.113 2.195 0.902 0.941 1.000 0.938 CB 1.542 16 residues pruned to eliminate duplicates Z: 17 48.556 2.445 0.919 0.938 1.000 0.750 CA 1.800 17 residues pruned to eliminate duplicates Z: 14 56.349 2.289 1.605 0.901 1.000 0.923 CA 1.870 14 residues pruned to eliminate duplicates Z: 15 26.112 2.117 0.565 0.831 1.000 0.786 CB 1.582 15 residues pruned to eliminate duplicates Z: 52 59.245 2.365 0.655 0.727 0.941 0.824 CB 1.835 52 residues pruned to eliminate duplicates Z: 14 39.260 2.262 1.190 0.933 0.923 0.692 CB 1.662 Z: 18 57.549 2.467 1.053 0.920 1.000 0.882 CA 1.941 17 residues pruned to eliminate duplicates Z: 18 40.249 2.187 0.909 0.940 1.000 1.000 CB 1.624 17 residues pruned to eliminate duplicates Z: 30 49.484 2.354 0.749 0.670 0.966 0.862 CA 1.976 23 residues pruned to eliminate duplicates Z: 68 68.157 2.329 0.913 0.615 0.925 0.657 CB 1.811 100 residues pruned to eliminate duplicates Z: 8 9.587 2.454 1.203 0.577 0.571 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 14 33.527 2.255 0.735 0.873 1.000 0.692 CB 1.731 14 residues pruned to eliminate duplicates Z: 35 51.973 2.367 0.829 0.633 0.912 0.765 C 1.993 36 residues pruned to eliminate duplicates Z: 15 30.732 2.300 0.609 0.854 1.000 0.857 CB 1.639 15 residues pruned to eliminate duplicates Z: 14 31.142 2.425 0.401 0.897 1.000 0.923 CB 1.820 15 residues pruned to eliminate duplicates Z: 18 54.661 2.532 0.838 0.944 1.000 0.882 CB 1.973 18 residues pruned to eliminate duplicates Z: 13 25.763 1.988 0.715 0.920 1.000 0.833 C 1.537 13 residues pruned to eliminate duplicates Z: 13 35.747 2.424 0.585 0.941 1.000 1.000 CB 1.864 13 residues pruned to eliminate duplicates Z: 14 15.967 2.260 0.739 0.411 0.846 0.462 CB 1.461 14 residues pruned to eliminate duplicates Z: 18 25.464 2.300 0.754 0.478 0.941 0.647 CB 1.662 Z: 18 37.374 2.195 0.846 0.839 1.000 0.824 CA 1.671 18 residues pruned to eliminate duplicates Z: 12 19.239 2.148 0.450 0.871 1.000 0.909 CA 1.358 12 residues pruned to eliminate duplicates Z: 39 56.533 2.532 0.749 0.632 0.974 0.842 CB 1.879 39 residues pruned to eliminate duplicates Z: 51 66.244 2.371 0.833 0.722 0.940 0.800 CB 1.876 51 residues pruned to eliminate duplicates Z: 26 29.985 2.129 0.761 0.506 0.920 0.600 CB 1.727 25 residues pruned to eliminate duplicates Z: 13 35.263 2.525 0.711 0.927 1.000 0.917 CB 1.651 13 residues pruned to eliminate duplicates Z: 12 29.362 2.227 0.725 0.908 1.000 0.727 CA 1.637 12 residues pruned to eliminate duplicates Z: 67 52.392 2.322 0.847 0.512 0.864 0.591 CB 1.721 36 residues pruned to eliminate duplicates Z: 33 40.692 2.512 0.822 0.525 0.844 0.625 CB 1.818 22 residues pruned to eliminate duplicates Z: 12 19.766 2.065 0.495 0.885 0.909 0.818 CA 1.532 12 residues pruned to eliminate duplicates Z: 66 67.537 2.326 0.914 0.635 0.908 0.708 CB 1.826 66 residues pruned to eliminate duplicates Z: 56 47.531 2.219 0.700 0.557 0.945 0.618 CB 1.700 56 residues pruned to eliminate duplicates Z: 16 44.645 2.280 1.029 0.879 1.000 0.800 CA 1.807 16 residues pruned to eliminate duplicates Z: 12 25.835 2.064 0.768 0.882 1.000 0.818 CA 1.545 12 residues pruned to eliminate duplicates Z: 46 36.241 2.073 0.630 0.620 0.911 0.689 CB 1.566 46 residues pruned to eliminate duplicates Z: 17 55.063 2.424 1.077 0.909 1.000 0.938 CB 1.941 17 residues pruned to eliminate duplicates Z: 6 7.697 1.919 0.111 0.712 0.800 0.800 CB 1.665 6 residues pruned to eliminate duplicates Z: 13 37.502 2.404 0.864 0.872 1.000 1.000 CA 1.760 13 residues pruned to eliminate duplicates Z: 18 33.117 2.127 0.607 0.933 1.000 0.882 CB 1.639 18 residues pruned to eliminate duplicates Z: 19 26.748 2.052 0.659 0.799 0.944 0.833 CB 1.509 19 residues pruned to eliminate duplicates Z: 10 15.131 1.864 0.776 0.831 0.889 0.556 CB 1.287 10 residues pruned to eliminate duplicates Z: 12 18.713 2.073 0.990 0.511 0.818 0.545 C 1.654 Z: 6 7.550 1.704 0.305 0.638 1.000 0.400 CA 1.334 Z: 6 3.538 1.807 0.293 0.510 0.600 0.400 CA 1.118 6 residues pruned to eliminate duplicates Z: 13 42.092 2.445 1.327 0.905 1.000 1.000 CB 1.521 13 residues pruned to eliminate duplicates Z: 18 31.023 2.169 0.636 0.830 0.941 0.765 CB 1.694 18 residues pruned to eliminate duplicates Z: 26 30.309 2.108 0.863 0.467 0.960 0.680 CB 1.662 44 residues pruned to eliminate duplicates Z: 31 35.414 2.460 0.758 0.470 0.867 0.633 CB 1.779 31 residues pruned to eliminate duplicates Z: 58 50.029 2.325 0.818 0.493 0.895 0.561 CB 1.765 33 residues pruned to eliminate duplicates Z: 17 31.529 2.253 0.563 0.937 1.000 0.938 CB 1.558 17 residues pruned to eliminate duplicates Z: 15 10.847 2.217 0.288 0.420 0.714 0.500 CB 1.545 15 residues pruned to eliminate duplicates Z: 6 2.860 1.634 -0.127 0.439 0.800 0.600 CB 1.193 6 residues pruned to eliminate duplicates Z: 13 26.194 2.291 0.312 0.932 1.000 0.917 CB 1.757 13 residues pruned to eliminate duplicates Z: 18 31.044 2.130 0.615 0.848 1.000 0.824 CB 1.624 18 residues pruned to eliminate duplicates Z: 7 7.280 1.951 0.762 0.330 0.667 0.333 CB 1.562 Z: 32 35.753 2.101 0.842 0.523 0.935 0.548 CA 1.734 35 residues pruned to eliminate duplicates Z: 53 73.765 2.509 0.896 0.673 0.962 0.731 CB 1.906 53 residues pruned to eliminate duplicates Z: 54 50.157 2.426 0.797 0.496 0.906 0.679 CB 1.752 54 residues pruned to eliminate duplicates Z: 17 36.071 2.247 0.566 0.953 1.000 1.000 CB 1.764 17 residues pruned to eliminate duplicates Z: 47 43.543 2.205 0.848 0.454 0.935 0.565 CB 1.766 49 residues pruned to eliminate duplicates Z: 13 49.583 2.529 1.087 0.920 1.000 1.000 CA 1.910 13 residues pruned to eliminate duplicates Z: 19 28.133 2.071 0.603 0.815 0.944 0.833 CA 1.608 19 residues pruned to eliminate duplicates Z: 16 20.874 1.945 0.639 0.799 0.867 0.733 CA 1.501 16 residues pruned to eliminate duplicates Z: 17 34.121 2.180 0.672 0.944 1.000 0.875 CB 1.620 17 residues pruned to eliminate duplicates Z: 18 36.246 2.155 0.766 0.938 1.000 0.765 CB 1.607 18 residues pruned to eliminate duplicates Z: 17 32.691 2.255 0.622 0.946 1.000 0.875 CB 1.545 17 residues pruned to eliminate duplicates Z: 105 79.936 2.412 0.896 0.570 0.875 0.644 CB 1.831 105 residues pruned to eliminate duplicates Z: 16 41.382 2.345 0.802 0.872 1.000 0.733 CA 1.842 16 residues pruned to eliminate duplicates Z: 14 37.090 2.295 0.852 0.934 1.000 0.769 CB 1.689 14 residues pruned to eliminate duplicates Z: 31 42.157 2.403 0.891 0.601 0.900 0.633 CB 1.710 31 residues pruned to eliminate duplicates Z: 19 47.516 2.292 0.978 0.883 1.000 0.889 CA 1.786 19 residues pruned to eliminate duplicates Z: 14 37.930 2.266 0.873 0.924 1.000 0.692 CB 1.741 14 residues pruned to eliminate duplicates Z: 6 10.516 1.834 0.478 0.657 1.000 0.400 N 1.499 6 residues pruned to eliminate duplicates Z: 12 13.669 2.369 0.325 0.412 0.818 0.636 CB 1.760 12 residues pruned to eliminate duplicates Z: 18 24.694 2.113 0.758 0.502 0.941 0.588 CB 1.711 18 residues pruned to eliminate duplicates Z: 24 28.513 2.029 0.955 0.526 0.957 0.652 CB 1.527 24 residues pruned to eliminate duplicates Z: 6 5.530 1.510 0.273 0.714 0.800 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 18 33.227 2.097 0.699 0.935 1.000 0.882 CB 1.576 18 residues pruned to eliminate duplicates Z: 11 27.617 2.127 0.947 0.720 1.000 0.800 C 1.728 11 residues pruned to eliminate duplicates Z: 29 26.251 2.229 0.845 0.382 0.821 0.536 CB 1.665 29 residues pruned to eliminate duplicates Z: 13 22.689 2.035 1.066 0.555 0.917 0.583 C 1.611 13 residues pruned to eliminate duplicates Z: 18 30.097 2.196 0.606 0.806 0.941 0.706 CB 1.683 18 residues pruned to eliminate duplicates Z: 6 3.472 1.333 0.250 0.768 1.000 0.800 CB 0.735 Z: 18 33.504 2.162 0.736 0.912 1.000 0.824 CB 1.533 18 residues pruned to eliminate duplicates Z: 8 15.455 2.428 0.551 0.444 0.857 0.571 CB 1.916 8 residues pruned to eliminate duplicates Z: 13 36.423 2.379 0.589 0.913 1.000 0.750 CA 1.969 13 residues pruned to eliminate duplicates Z: 10 24.977 2.232 1.363 0.559 0.889 0.889 C 1.678 10 residues pruned to eliminate duplicates Z: 18 33.923 2.142 0.756 0.910 1.000 0.824 CB 1.551 18 residues pruned to eliminate duplicates Z: 53 76.032 2.519 0.947 0.696 0.962 0.750 CB 1.869 53 residues pruned to eliminate duplicates Z: 15 20.729 2.208 0.735 0.473 0.857 0.571 CB 1.734 15 residues pruned to eliminate duplicates Z: 16 48.933 2.542 0.627 0.949 1.000 1.000 CB 2.109 16 residues pruned to eliminate duplicates Z: 15 33.193 2.132 0.871 0.904 1.000 0.929 CB 1.584 15 residues pruned to eliminate duplicates Z: 31 49.125 2.326 0.924 0.650 0.900 0.700 CA 1.935 31 residues pruned to eliminate duplicates Z: 18 40.098 2.106 1.090 0.927 1.000 0.882 CB 1.549 18 residues pruned to eliminate duplicates Z: 7 8.441 1.655 0.570 0.749 1.000 0.500 CA 1.062 7 residues pruned to eliminate duplicates Z: 12 25.689 2.200 0.425 0.894 1.000 0.727 C 1.773 12 residues pruned to eliminate duplicates Z: 13 34.460 2.380 0.737 0.924 1.000 0.917 CB 1.690 13 residues pruned to eliminate duplicates Z: 23 15.459 2.081 0.578 0.322 0.864 0.409 CB 1.414 23 residues pruned to eliminate duplicates Z: 7 10.026 1.925 0.260 0.612 1.000 0.667 CA 1.518 7 residues pruned to eliminate duplicates Z: 6 5.273 1.898 1.178 0.471 0.600 0.400 CB 0.979 6 residues pruned to eliminate duplicates Z: 35 21.854 2.230 0.623 0.382 0.794 0.471 CB 1.478 35 residues pruned to eliminate duplicates Z: 14 32.950 2.338 0.812 0.904 1.000 1.000 CB 1.535 14 residues pruned to eliminate duplicates Z: 26 28.586 2.204 0.912 0.442 0.920 0.600 CB 1.565 26 residues pruned to eliminate duplicates Z: 19 27.093 2.067 0.613 0.802 0.944 0.778 CA 1.558 19 residues pruned to eliminate duplicates Z: 6 12.630 2.100 1.648 0.619 0.800 0.600 C 1.135 6 residues pruned to eliminate duplicates Z: 31 49.650 2.335 0.886 0.637 0.933 0.800 CB 1.940 31 residues pruned to eliminate duplicates Z: 16 37.570 2.218 0.781 0.936 1.000 1.000 CB 1.710 16 residues pruned to eliminate duplicates Z: 40 52.657 2.312 0.815 0.698 0.949 0.769 CB 1.767 40 residues pruned to eliminate duplicates Z: 18 36.311 2.121 0.891 0.854 1.000 0.529 CA 1.622 18 residues pruned to eliminate duplicates Z: 15 44.371 2.455 0.698 0.885 1.000 0.786 CB 2.055 15 residues pruned to eliminate duplicates Z: 30 53.488 2.495 0.699 0.716 0.966 0.793 CB 1.994 43 residues pruned to eliminate duplicates Z: 19 13.150 1.924 0.713 0.353 0.778 0.389 CB 1.418 19 residues pruned to eliminate duplicates Z: 16 20.341 1.970 0.499 0.828 0.933 0.867 CB 1.435 16 residues pruned to eliminate duplicates Z: 26 39.322 2.259 0.765 0.689 0.960 0.680 CB 1.729 26 residues pruned to eliminate duplicates Z: 18 36.248 2.158 0.801 0.945 1.000 0.882 CB 1.565 18 residues pruned to eliminate duplicates Z: 9 13.131 2.253 0.745 0.394 0.875 0.750 CB 1.510 9 residues pruned to eliminate duplicates Z: 54 62.715 2.348 0.804 0.682 0.943 0.774 CB 1.823 54 residues pruned to eliminate duplicates Z: 44 68.079 2.481 1.033 0.658 0.977 0.744 CB 1.820 44 residues pruned to eliminate duplicates Z: 18 30.042 2.173 0.576 0.815 1.000 0.765 CB 1.619 18 residues pruned to eliminate duplicates Z: 18 60.090 2.532 1.118 0.898 1.000 0.706 CA 1.944 18 residues pruned to eliminate duplicates Z: 19 44.020 2.444 0.785 0.915 0.944 0.722 CA 1.780 19 residues pruned to eliminate duplicates Z: 18 33.488 2.161 0.655 0.864 1.000 0.824 CB 1.665 18 residues pruned to eliminate duplicates Z: 13 17.620 2.261 0.753 0.462 0.833 0.417 CB 1.600 13 residues pruned to eliminate duplicates Z: 9 29.976 2.380 1.075 0.874 1.000 1.000 CB 1.562 9 residues pruned to eliminate duplicates Z: 24 35.163 2.320 0.803 0.646 0.870 0.652 CB 1.759 24 residues pruned to eliminate duplicates Z: 6 4.178 1.775 -0.070 0.709 0.600 0.600 O 1.561 6 residues pruned to eliminate duplicates Z: 6 14.643 2.269 0.918 0.650 1.000 0.800 CB 1.309 Z: 6 5.296 1.616 0.072 0.709 1.000 0.600 C 1.131 6 residues pruned to eliminate duplicates Z: 33 28.803 2.415 0.758 0.429 0.781 0.438 CB 1.653 33 residues pruned to eliminate duplicates Z: 10 9.372 2.279 0.530 0.322 0.778 0.333 CA 1.402 10 residues pruned to eliminate duplicates Z: 52 44.473 2.333 0.722 0.469 0.941 0.549 CB 1.700 52 residues pruned to eliminate duplicates Z: 13 56.142 2.546 1.264 0.919 1.000 0.833 CA 1.982 13 residues pruned to eliminate duplicates Z: 20 22.318 2.170 0.446 0.584 0.947 0.632 CA 1.590 20 residues pruned to eliminate duplicates Z: 44 30.738 2.436 0.495 0.405 0.837 0.581 CB 1.699 44 residues pruned to eliminate duplicates Z: 39 43.123 2.436 0.804 0.475 0.868 0.658 CB 1.880 39 residues pruned to eliminate duplicates Z: 15 10.855 1.967 0.767 0.308 0.857 0.429 CB 1.206 15 residues pruned to eliminate duplicates Z: 9 12.260 2.185 0.697 0.313 0.875 0.625 CA 1.643 9 residues pruned to eliminate duplicates Z: 18 23.820 2.115 0.257 0.942 1.000 0.941 CB 1.507 18 residues pruned to eliminate duplicates Z: 10 11.037 2.214 0.476 0.388 0.778 0.444 CB 1.630 10 residues pruned to eliminate duplicates Z: 18 36.037 2.104 0.881 0.865 1.000 0.529 CA 1.618 18 residues pruned to eliminate duplicates Z: 45 61.968 2.442 0.919 0.675 0.955 0.682 CB 1.777 45 residues pruned to eliminate duplicates Z: 19 25.533 2.377 0.755 0.357 0.889 0.611 CB 1.894 19 residues pruned to eliminate duplicates Z: 13 56.527 2.508 1.503 0.844 1.000 0.750 CB 1.934 13 residues pruned to eliminate duplicates Z: 22 47.950 2.438 1.047 0.770 0.905 0.714 CB 1.825 22 residues pruned to eliminate duplicates Z: 26 33.920 2.310 0.786 0.480 0.920 0.680 CB 1.823 26 residues pruned to eliminate duplicates Z: 35 48.074 2.416 0.627 0.673 0.941 0.794 CB 1.900 35 residues pruned to eliminate duplicates Z: 14 30.754 2.400 0.863 0.871 0.923 0.462 CB 1.507 14 residues pruned to eliminate duplicates Z: 15 32.667 2.307 0.610 0.875 1.000 0.857 CB 1.709 15 residues pruned to eliminate duplicates Z: 12 21.391 2.084 0.775 0.839 0.818 0.636 CA 1.592 12 residues pruned to eliminate duplicates Z: 13 32.204 2.401 0.568 0.896 1.000 1.000 CB 1.770 13 residues pruned to eliminate duplicates Z: 11 13.121 1.891 0.573 0.485 1.000 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 10 7.624 1.875 0.536 0.262 0.778 0.444 CA 1.490 10 residues pruned to eliminate duplicates Z: 35 46.622 2.351 0.843 0.622 0.971 0.706 CB 1.695 35 residues pruned to eliminate duplicates Z: 9 12.358 2.270 0.464 0.363 0.875 0.625 CA 1.740 9 residues pruned to eliminate duplicates Z: 46 32.149 2.307 0.660 0.449 0.822 0.578 CB 1.604 46 residues pruned to eliminate duplicates Z: 13 12.364 2.339 1.025 0.425 0.667 0.417 CB 1.222 Z: 50 33.885 2.152 0.741 0.468 0.816 0.592 CB 1.634 50 residues pruned to eliminate duplicates Z: 17 17.977 2.144 0.625 0.435 0.875 0.500 CB 1.578 17 residues pruned to eliminate duplicates Z: 6 3.108 1.614 0.443 0.277 0.600 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 16 11.851 2.047 0.937 0.317 0.733 0.533 CB 1.287 17 residues pruned to eliminate duplicates Z: 17 37.550 2.187 0.985 0.955 1.000 0.938 CB 1.486 17 residues pruned to eliminate duplicates Z: 12 30.595 2.087 1.082 0.908 1.000 0.727 CA 1.507 12 residues pruned to eliminate duplicates Z: 19 43.808 2.340 0.859 0.933 1.000 0.944 CA 1.656 19 residues pruned to eliminate duplicates Z: 19 29.028 2.033 0.874 0.746 0.944 0.778 CB 1.526 14 residues pruned to eliminate duplicates Z: 25 30.918 2.353 0.682 0.533 0.958 0.625 CB 1.610 25 residues pruned to eliminate duplicates Z: 48 62.189 2.330 0.899 0.682 0.957 0.745 CB 1.811 48 residues pruned to eliminate duplicates Z: 36 50.913 2.300 0.826 0.705 0.914 0.714 CA 1.860 36 residues pruned to eliminate duplicates Z: 78 48.154 2.255 0.771 0.431 0.883 0.675 CB 1.672 78 residues pruned to eliminate duplicates Z: 18 30.921 2.133 0.732 0.953 1.000 1.000 CB 1.396 18 residues pruned to eliminate duplicates Z: 27 16.853 2.144 0.551 0.374 0.808 0.500 CB 1.408 27 residues pruned to eliminate duplicates Z: 14 32.032 2.050 0.933 0.887 1.000 0.615 CB 1.616 14 residues pruned to eliminate duplicates Z: 6 3.794 1.380 0.364 0.402 0.800 0.600 O 1.249 6 residues pruned to eliminate duplicates Z: 19 23.238 2.035 0.391 0.915 1.000 0.944 CB 1.367 19 residues pruned to eliminate duplicates Z: 14 46.984 2.426 0.918 0.942 1.000 1.000 CA 1.943 14 residues pruned to eliminate duplicates Z: 51 34.899 2.381 0.639 0.442 0.820 0.560 CB 1.637 51 residues pruned to eliminate duplicates Z: 15 15.463 1.911 0.691 0.433 0.857 0.429 CB 1.600 15 residues pruned to eliminate duplicates Z: 6 2.328 1.251 0.747 0.529 0.600 0.400 CA 0.772 6 residues pruned to eliminate duplicates Z: 12 25.134 2.377 1.116 0.477 0.818 0.636 CB 1.884 12 residues pruned to eliminate duplicates Z: 19 27.669 2.045 0.758 0.808 0.889 0.556 CB 1.560 19 residues pruned to eliminate duplicates Z: 7 25.231 2.454 1.109 0.511 1.000 1.000 CB 1.969 13 residues pruned to eliminate duplicates Z: 14 36.233 2.245 0.829 0.933 1.000 0.923 CB 1.708 14 residues pruned to eliminate duplicates Z: 54 74.742 2.508 0.892 0.688 0.962 0.792 CB 1.893 54 residues pruned to eliminate duplicates Z: 7 18.425 2.208 1.017 0.702 0.833 0.667 CB 1.686 7 residues pruned to eliminate duplicates Z: 13 12.007 2.129 0.657 0.358 0.750 0.583 CB 1.526 13 residues pruned to eliminate duplicates Z: 39 58.933 2.461 0.903 0.659 0.921 0.816 CB 1.912 39 residues pruned to eliminate duplicates Z: 18 35.221 2.333 1.176 0.499 0.882 0.529 CB 1.908 18 residues pruned to eliminate duplicates Z: 16 33.413 2.116 0.635 0.927 1.000 0.933 CB 1.747 16 residues pruned to eliminate duplicates Z: 36 58.483 2.532 0.830 0.677 0.971 0.829 CB 1.866 36 residues pruned to eliminate duplicates Z: 21 29.977 2.314 0.727 0.554 0.850 0.600 CB 1.873 21 residues pruned to eliminate duplicates Z: 18 46.395 2.287 1.047 0.749 1.000 0.765 CA 1.924 18 residues pruned to eliminate duplicates Z: 6 3.805 1.593 0.359 0.480 0.800 0.600 CB 1.002 Z: 70 59.202 2.257 0.846 0.576 0.913 0.638 CB 1.741 70 residues pruned to eliminate duplicates Z: 17 60.651 2.459 1.183 0.937 1.000 0.875 CA 1.967 17 residues pruned to eliminate duplicates Z: 10 17.580 2.093 1.323 0.587 0.778 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 44 66.614 2.493 1.085 0.633 0.930 0.651 CB 1.855 48 residues pruned to eliminate duplicates Z: 6 12.880 2.017 1.206 0.654 0.800 0.800 CB 1.402 6 residues pruned to eliminate duplicates Z: 35 57.390 2.442 0.981 0.677 0.971 0.765 CB 1.782 35 residues pruned to eliminate duplicates Z: 13 28.955 2.283 0.629 0.916 0.917 0.750 CB 1.731 13 residues pruned to eliminate duplicates Z: 30 50.830 2.373 0.774 0.686 0.966 0.828 CB 1.959 30 residues pruned to eliminate duplicates Z: 14 47.676 2.340 1.472 0.947 1.000 0.538 CB 1.580 14 residues pruned to eliminate duplicates Z: 7 2.036 1.398 0.330 0.366 0.667 0.500 C 0.774 7 residues pruned to eliminate duplicates Z: 11 23.634 2.323 1.068 0.474 0.900 0.800 CA 1.775 11 residues pruned to eliminate duplicates Z: 29 22.096 2.174 0.569 0.389 0.893 0.536 CB 1.542 29 residues pruned to eliminate duplicates Z: 75 72.344 2.364 0.891 0.595 0.919 0.635 CB 1.869 75 residues pruned to eliminate duplicates Z: 14 33.865 2.195 0.932 0.944 1.000 0.846 CB 1.534 15 residues pruned to eliminate duplicates Z: 54 71.448 2.470 0.764 0.723 0.981 0.774 CB 1.877 54 residues pruned to eliminate duplicates Z: 19 28.167 2.137 0.653 0.762 0.889 0.778 CB 1.676 19 residues pruned to eliminate duplicates Z: 33 49.847 2.325 0.881 0.687 0.938 0.688 CB 1.811 33 residues pruned to eliminate duplicates Z: 19 22.370 2.410 0.650 0.305 0.833 0.611 CB 1.978 19 residues pruned to eliminate duplicates Z: 8 5.231 1.883 0.459 0.331 0.714 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 27 32.634 2.183 0.788 0.665 0.846 0.692 CB 1.664 27 residues pruned to eliminate duplicates Z: 8 11.247 1.984 1.060 0.421 0.714 0.571 N 1.582 8 residues pruned to eliminate duplicates Z: 11 22.097 2.167 1.037 0.483 0.900 0.700 C 1.790 11 residues pruned to eliminate duplicates Z: 26 49.569 2.398 0.649 0.777 1.000 0.880 CA 1.964 26 residues pruned to eliminate duplicates Z: 15 31.523 2.233 0.768 0.928 1.000 0.929 CB 1.495 15 residues pruned to eliminate duplicates Z: 33 51.091 2.390 0.907 0.591 0.938 0.812 CB 1.937 34 residues pruned to eliminate duplicates Z: 17 33.421 2.202 0.624 0.932 1.000 0.938 CB 1.632 17 residues pruned to eliminate duplicates Z: 9 12.352 1.734 0.920 0.619 1.000 0.625 CA 1.171 9 residues pruned to eliminate duplicates Z: 29 29.077 2.289 0.800 0.406 0.893 0.536 CB 1.649 29 residues pruned to eliminate duplicates Z: 54 75.697 2.477 0.839 0.732 0.981 0.792 CB 1.889 54 residues pruned to eliminate duplicates Z: 27 35.139 2.258 0.704 0.597 0.962 0.731 CB 1.698 27 residues pruned to eliminate duplicates Z: 18 29.386 2.013 0.677 0.885 1.000 0.706 CB 1.524 18 residues pruned to eliminate duplicates Z: 31 36.379 2.376 0.719 0.545 0.900 0.700 CB 1.730 31 residues pruned to eliminate duplicates Z: 11 14.719 1.872 0.841 0.456 0.900 0.500 C 1.571 11 residues pruned to eliminate duplicates Z: 12 13.309 1.732 0.248 0.828 1.000 0.818 CA 1.398 12 residues pruned to eliminate duplicates Z: 37 62.606 2.456 1.089 0.678 0.944 0.667 CB 1.828 37 residues pruned to eliminate duplicates 6 1.997 2.193 -0.025 0.455 0.600 0.400 CB 0.729 ? Z: 9 23.527 2.361 0.894 0.514 1.000 0.625 CB 1.834 9 residues pruned to eliminate duplicates Z: 50 73.821 2.406 0.923 0.717 0.980 0.755 CB 1.913 50 residues pruned to eliminate duplicates Z: 51 82.117 2.513 1.053 0.701 0.960 0.740 CB 1.952 51 residues pruned to eliminate duplicates Z: 38 37.468 2.348 0.794 0.432 0.919 0.541 CB 1.708 38 residues pruned to eliminate duplicates Z: 26 25.475 2.245 0.525 0.378 0.920 0.600 CB 1.842 26 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.682 1.650 0.209 0.264 1.000 0.600 CB 0.787 6 residues pruned to eliminate duplicates Z: 11 23.863 2.438 1.511 0.477 0.800 0.600 CB 1.576 12 residues pruned to eliminate duplicates Z: 6 7.736 1.761 1.197 0.353 1.000 0.600 C 1.049 6 residues pruned to eliminate duplicates Z: 9 13.530 2.125 1.561 0.526 0.750 0.500 CB 1.142 9 residues pruned to eliminate duplicates Z: 54 60.692 2.331 0.720 0.684 0.943 0.679 CB 1.862 54 residues pruned to eliminate duplicates Z: 52 61.907 2.344 0.721 0.694 0.961 0.765 CB 1.873 52 residues pruned to eliminate duplicates Z: 52 58.878 2.360 0.677 0.678 0.961 0.686 CB 1.841 52 residues pruned to eliminate duplicates Z: 52 69.086 2.410 0.808 0.720 0.961 0.765 CB 1.893 52 residues pruned to eliminate duplicates Z: 54 66.387 2.328 0.905 0.674 0.943 0.736 CB 1.855 54 residues pruned to eliminate duplicates Z: 53 60.669 2.278 0.781 0.692 0.962 0.692 CB 1.810 53 residues pruned to eliminate duplicates Z: 22 31.901 2.152 0.785 0.691 0.905 0.619 CB 1.683 22 residues pruned to eliminate duplicates Z: 53 67.121 2.390 0.797 0.683 0.962 0.750 CB 1.905 53 residues pruned to eliminate duplicates Z: 41 58.134 2.365 0.846 0.673 0.975 0.725 CB 1.841 41 residues pruned to eliminate duplicates Z: 53 64.328 2.347 0.771 0.703 0.962 0.750 CB 1.856 53 residues pruned to eliminate duplicates Z: 43 50.317 2.298 0.787 0.654 0.929 0.690 CB 1.764 43 residues pruned to eliminate duplicates Z: 51 62.678 2.352 0.756 0.697 0.960 0.740 CB 1.867 51 residues pruned to eliminate duplicates Z: 55 57.410 2.319 0.734 0.674 0.907 0.741 CB 1.824 55 residues pruned to eliminate duplicates Z: 52 63.671 2.382 0.724 0.704 0.961 0.706 CB 1.876 52 residues pruned to eliminate duplicates Z: 7 8.871 1.964 0.576 0.493 1.000 0.500 CA 1.178 7 residues pruned to eliminate duplicates Z: 51 63.230 2.379 0.733 0.735 0.940 0.780 CB 1.868 51 residues pruned to eliminate duplicates Z: 6 2.106 1.684 0.876 0.378 0.600 0.200 CB 0.566 6 residues pruned to eliminate duplicates Z: 52 61.798 2.381 0.707 0.706 0.961 0.784 CB 1.838 52 residues pruned to eliminate duplicates Z: 32 49.455 2.358 0.687 0.732 0.968 0.903 CB 1.873 32 residues pruned to eliminate duplicates Z: 41 41.989 2.256 0.788 0.581 0.850 0.625 CB 1.792 41 residues pruned to eliminate duplicates Z: 53 56.644 2.310 0.700 0.685 0.923 0.769 CB 1.828 53 residues pruned to eliminate duplicates Z: 52 62.871 2.350 0.734 0.709 0.961 0.765 CB 1.860 52 residues pruned to eliminate duplicates Z: 35 52.060 2.399 0.849 0.673 0.912 0.706 CB 1.882 35 residues pruned to eliminate duplicates Z: 51 67.519 2.379 0.811 0.718 0.980 0.800 CB 1.856 51 residues pruned to eliminate duplicates Z: 51 65.706 2.388 0.764 0.717 0.960 0.760 CB 1.888 51 residues pruned to eliminate duplicates Z: 52 63.552 2.366 0.794 0.691 0.961 0.686 CB 1.832 52 residues pruned to eliminate duplicates Z: 51 71.788 2.392 0.856 0.724 0.980 0.760 CB 1.907 51 residues pruned to eliminate duplicates Z: 61 64.371 2.268 0.852 0.685 0.950 0.683 CB 1.758 61 residues pruned to eliminate duplicates Z: 50 67.871 2.383 0.859 0.719 0.959 0.755 CB 1.872 50 residues pruned to eliminate duplicates Z: 50 71.051 2.400 0.879 0.735 0.959 0.735 CB 1.899 50 residues pruned to eliminate duplicates Z: 52 64.968 2.355 0.839 0.685 0.961 0.725 CB 1.844 52 residues pruned to eliminate duplicates Z: 52 65.648 2.352 0.871 0.695 0.961 0.725 CB 1.819 52 residues pruned to eliminate duplicates Z: 51 65.626 2.405 0.874 0.700 0.920 0.800 CB 1.866 51 residues pruned to eliminate duplicates Z: 50 74.697 2.425 0.914 0.740 0.959 0.796 CB 1.933 50 residues pruned to eliminate duplicates Z: 68 55.898 2.316 0.777 0.589 0.851 0.627 CB 1.792 68 residues pruned to eliminate duplicates Z: 52 66.753 2.370 0.876 0.685 0.961 0.706 CB 1.847 52 residues pruned to eliminate duplicates Z: 30 47.322 2.317 0.866 0.694 0.966 0.793 CA 1.762 30 residues pruned to eliminate duplicates Z: 51 71.467 2.368 0.923 0.714 0.980 0.720 CB 1.866 51 residues pruned to eliminate duplicates Z: 52 69.149 2.354 0.861 0.723 0.961 0.804 CB 1.882 52 residues pruned to eliminate duplicates Z: 53 65.923 2.338 0.860 0.698 0.942 0.731 CB 1.862 53 residues pruned to eliminate duplicates Z: 20 22.907 2.259 0.529 0.628 0.737 0.579 C 1.830 20 residues pruned to eliminate duplicates Z: 51 71.056 2.390 0.897 0.695 0.980 0.700 CB 1.893 51 residues pruned to eliminate duplicates Z: 55 61.889 2.301 0.903 0.669 0.926 0.667 CB 1.777 55 residues pruned to eliminate duplicates Z: 51 69.572 2.385 0.943 0.723 0.920 0.720 CB 1.886 51 residues pruned to eliminate duplicates Z: 54 66.811 2.312 0.928 0.682 0.962 0.679 CB 1.811 54 residues pruned to eliminate duplicates Z: 56 65.585 2.299 0.893 0.690 0.927 0.655 CB 1.841 56 residues pruned to eliminate duplicates Z: 55 65.865 2.323 0.930 0.679 0.944 0.667 CB 1.796 55 residues pruned to eliminate duplicates Z: 67 63.986 2.307 0.951 0.605 0.909 0.667 CB 1.741 67 residues pruned to eliminate duplicates Z: 64 66.180 2.305 0.911 0.657 0.921 0.698 CB 1.777 64 residues pruned to eliminate duplicates Z: 89 76.672 2.332 0.869 0.626 0.920 0.636 CB 1.810 89 residues pruned to eliminate duplicates Z: 95 82.156 2.434 0.872 0.596 0.915 0.702 CB 1.854 95 residues pruned to eliminate duplicates Z: 64 63.555 2.304 0.907 0.636 0.905 0.619 CB 1.772 64 residues pruned to eliminate duplicates Z: 13 9.179 2.019 0.766 0.309 0.750 0.667 CB 1.225 13 residues pruned to eliminate duplicates Z: 65 63.392 2.355 0.873 0.619 0.891 0.609 CB 1.803 65 residues pruned to eliminate duplicates Z: 10 9.673 2.129 0.645 0.363 0.778 0.444 CB 1.371 10 residues pruned to eliminate duplicates Z: 10 17.966 2.495 0.969 0.379 0.778 0.556 CB 1.784 10 residues pruned to eliminate duplicates Z: 63 65.111 2.358 0.914 0.654 0.887 0.645 CB 1.790 63 residues pruned to eliminate duplicates Z: 81 85.677 2.437 0.919 0.652 0.938 0.725 CB 1.897 81 residues pruned to eliminate duplicates Z: 38 39.887 2.324 0.880 0.527 0.811 0.514 CB 1.803 38 residues pruned to eliminate duplicates Z: 10 14.165 2.289 0.919 0.387 0.778 0.556 CB 1.558 10 residues pruned to eliminate duplicates Z: 12 11.447 2.324 0.481 0.278 0.727 0.455 CB 1.771 12 residues pruned to eliminate duplicates Z: 37 43.036 2.416 0.839 0.545 0.833 0.639 CB 1.854 37 residues pruned to eliminate duplicates Z: 99 80.836 2.415 0.910 0.589 0.878 0.592 CB 1.852 99 residues pruned to eliminate duplicates Z: 21 44.119 2.581 0.897 0.572 0.900 0.700 C 2.088 21 residues pruned to eliminate duplicates Z: 84 76.127 2.344 0.947 0.618 0.892 0.554 CB 1.838 84 residues pruned to eliminate duplicates Z: 26 37.221 2.445 0.955 0.500 0.800 0.600 CB 1.947 26 residues pruned to eliminate duplicates Z: 20 48.581 2.604 1.172 0.556 0.895 0.684 C 2.085 20 residues pruned to eliminate duplicates Z: 22 40.362 2.505 0.921 0.579 0.857 0.714 CB 1.980 22 residues pruned to eliminate duplicates Z: 19 51.533 2.679 1.047 0.634 0.889 0.556 C 2.197 19 residues pruned to eliminate duplicates Z: 27 47.798 2.613 0.834 0.566 0.885 0.692 CB 2.075 27 residues pruned to eliminate duplicates Z: 38 54.217 2.488 0.962 0.494 0.919 0.649 CB 1.998 38 residues pruned to eliminate duplicates Z: 20 48.124 2.607 1.129 0.569 0.895 0.579 C 2.080 20 residues pruned to eliminate duplicates Z: 18 49.063 2.571 1.054 0.645 1.000 0.765 C 1.967 18 residues pruned to eliminate duplicates Z: 28 43.814 2.516 0.921 0.519 0.815 0.630 CB 2.100 28 residues pruned to eliminate duplicates Z: 19 55.885 2.700 1.252 0.592 0.944 0.722 CB 2.100 19 residues pruned to eliminate duplicates Z: 27 37.962 2.552 1.073 0.458 0.769 0.577 CB 1.909 27 residues pruned to eliminate duplicates Z: 39 43.717 2.530 0.785 0.466 0.895 0.474 CB 1.817 39 residues pruned to eliminate duplicates Z: 42 50.048 2.579 0.917 0.499 0.829 0.561 CB 1.909 42 residues pruned to eliminate duplicates Z: 60 51.131 2.480 0.685 0.478 0.898 0.559 CB 1.813 60 residues pruned to eliminate duplicates Z: 32 51.968 2.637 0.976 0.532 0.871 0.581 CB 1.994 32 residues pruned to eliminate duplicates Z: 40 50.677 2.539 0.876 0.488 0.897 0.487 CB 1.921 40 residues pruned to eliminate duplicates Z: 31 45.666 2.550 0.710 0.573 0.933 0.600 CB 1.909 31 residues pruned to eliminate duplicates Z: 21 21.813 2.352 0.628 0.351 0.850 0.550 CB 1.762 21 residues pruned to eliminate duplicates Z: 21 20.671 2.374 0.530 0.395 0.850 0.550 CB 1.672 21 residues pruned to eliminate duplicates Z: 43 42.696 2.438 0.856 0.493 0.833 0.643 CB 1.761 43 residues pruned to eliminate duplicates Z: 12 16.730 2.564 0.565 0.396 0.727 0.545 CB 1.929 12 residues pruned to eliminate duplicates Z: 33 36.188 2.545 0.898 0.397 0.781 0.500 CB 1.891 33 residues pruned to eliminate duplicates Z: 67 47.886 2.391 0.699 0.486 0.818 0.591 CB 1.799 67 residues pruned to eliminate duplicates Z: 26 16.740 2.284 0.545 0.330 0.680 0.400 CB 1.681 26 residues pruned to eliminate duplicates Z: 32 24.800 2.338 0.637 0.367 0.839 0.548 CB 1.600 32 residues pruned to eliminate duplicates Z: 97 77.265 2.444 0.810 0.590 0.875 0.688 CB 1.869 97 residues pruned to eliminate duplicates Z: 27 20.114 2.150 0.569 0.392 0.808 0.423 CB 1.625 27 residues pruned to eliminate duplicates Z: 21 19.011 2.314 0.589 0.372 0.900 0.500 CB 1.473 21 residues pruned to eliminate duplicates Z: 13 7.762 1.943 0.284 0.267 0.750 0.417 CB 1.560 13 residues pruned to eliminate duplicates Z: 48 48.057 2.376 0.793 0.561 0.894 0.617 CB 1.735 48 residues pruned to eliminate duplicates Z: 59 57.129 2.531 0.785 0.481 0.931 0.586 CB 1.818 59 residues pruned to eliminate duplicates Z: 17 15.307 2.171 0.622 0.367 0.812 0.375 CB 1.542 17 residues pruned to eliminate duplicates Z: 80 63.089 2.417 0.820 0.517 0.861 0.646 CB 1.844 80 residues pruned to eliminate duplicates Z: 24 29.669 2.353 0.907 0.415 0.870 0.435 CB 1.732 24 residues pruned to eliminate duplicates Z: 21 20.071 2.117 0.782 0.393 0.900 0.500 CB 1.481 21 residues pruned to eliminate duplicates Z: 47 52.677 2.416 0.803 0.560 0.935 0.739 CB 1.799 47 residues pruned to eliminate duplicates Z: 24 39.973 2.462 0.970 0.502 0.957 0.565 CB 1.793 24 residues pruned to eliminate duplicates Z: 69 55.102 2.457 0.874 0.448 0.868 0.632 CB 1.765 69 residues pruned to eliminate duplicates Z: 26 30.999 2.433 0.902 0.440 0.840 0.560 CB 1.697 26 residues pruned to eliminate duplicates Z: 118 82.760 2.398 0.841 0.555 0.897 0.632 CB 1.830 118 residues pruned to eliminate duplicates Z: 27 39.760 2.398 0.866 0.499 0.962 0.615 CB 1.814 27 residues pruned to eliminate duplicates Z: 30 33.585 2.327 0.866 0.465 0.862 0.552 CB 1.726 30 residues pruned to eliminate duplicates Z: 73 46.213 2.396 0.617 0.409 0.889 0.514 CB 1.740 73 residues pruned to eliminate duplicates Z: 43 41.817 2.407 0.831 0.376 0.857 0.548 CB 1.950 43 residues pruned to eliminate duplicates Z: 63 50.067 2.440 0.676 0.506 0.903 0.597 CB 1.711 63 residues pruned to eliminate duplicates Z: 28 27.837 2.370 0.902 0.392 0.778 0.556 CB 1.713 28 residues pruned to eliminate duplicates Z: 37 35.422 2.447 0.737 0.380 0.861 0.556 CB 1.833 37 residues pruned to eliminate duplicates Z: 15 13.851 2.156 0.706 0.326 0.786 0.429 CB 1.551 15 residues pruned to eliminate duplicates Z: 30 30.046 2.437 0.755 0.353 0.897 0.483 CB 1.706 30 residues pruned to eliminate duplicates Z: 17 22.168 2.359 0.964 0.478 0.750 0.438 CB 1.631 17 residues pruned to eliminate duplicates Z: 27 34.065 2.349 0.938 0.499 0.885 0.692 CB 1.661 27 residues pruned to eliminate duplicates Z: 14 25.549 2.443 1.099 0.420 0.846 0.615 CB 1.776 14 residues pruned to eliminate duplicates Z: 47 47.053 2.368 0.936 0.514 0.891 0.609 CB 1.674 47 residues pruned to eliminate duplicates Z: 22 43.066 2.348 0.822 0.717 1.000 0.810 CB 1.804 22 residues pruned to eliminate duplicates Z: 35 47.820 2.391 0.931 0.580 0.912 0.647 CB 1.804 35 residues pruned to eliminate duplicates Z: 84 64.570 2.445 0.760 0.518 0.916 0.639 CB 1.766 84 residues pruned to eliminate duplicates Z: 27 38.932 2.190 0.778 0.657 0.923 0.692 CB 1.836 27 residues pruned to eliminate duplicates Z: 147 93.042 2.375 0.866 0.567 0.911 0.671 CB 1.788 159 residues pruned to eliminate duplicates Z: 20 40.096 2.161 0.746 0.840 1.000 0.842 CB 1.819 21 residues pruned to eliminate duplicates Z: 20 36.133 2.139 0.914 0.792 0.947 0.684 CB 1.655 20 residues pruned to eliminate duplicates Z: 15 29.211 2.319 0.603 0.826 0.929 0.857 CB 1.706 15 residues pruned to eliminate duplicates Z: 15 35.572 2.336 0.821 0.841 0.929 0.857 CB 1.794 15 residues pruned to eliminate duplicates Z: 79 76.654 2.494 0.769 0.635 0.936 0.679 CB 1.852 79 residues pruned to eliminate duplicates Z: 53 71.607 2.527 0.841 0.676 0.942 0.750 CB 1.926 53 residues pruned to eliminate duplicates Z: 53 71.776 2.528 0.776 0.688 0.962 0.788 CB 1.940 53 residues pruned to eliminate duplicates Z: 54 78.270 2.538 0.956 0.700 0.962 0.774 CB 1.876 54 residues pruned to eliminate duplicates Z: 56 71.272 2.488 0.811 0.670 0.964 0.800 CB 1.892 56 residues pruned to eliminate duplicates Z: 54 76.474 2.521 0.925 0.690 0.943 0.811 CB 1.929 54 residues pruned to eliminate duplicates Z: 51 79.917 2.562 0.897 0.707 0.980 0.760 CB 1.966 51 residues pruned to eliminate duplicates Z: 60 64.648 2.396 0.826 0.650 0.932 0.729 CB 1.794 60 residues pruned to eliminate duplicates Z: 54 67.384 2.498 0.747 0.667 0.962 0.698 CB 1.889 54 residues pruned to eliminate duplicates Z: 63 67.232 2.441 0.859 0.632 0.935 0.710 CB 1.778 63 residues pruned to eliminate duplicates Z: 79 74.268 2.453 0.847 0.603 0.923 0.718 CB 1.824 91 residues pruned to eliminate duplicates Z: 19 37.844 2.321 0.839 0.790 0.889 0.778 CB 1.822 19 residues pruned to eliminate duplicates Z: 60 62.663 2.427 0.695 0.641 0.932 0.712 CB 1.864 60 residues pruned to eliminate duplicates Z: 53 71.656 2.517 0.765 0.695 0.981 0.769 CB 1.908 53 residues pruned to eliminate duplicates Z: 54 76.931 2.536 0.926 0.688 0.962 0.792 CB 1.892 54 residues pruned to eliminate duplicates Z: 27 43.036 2.405 0.836 0.587 0.962 0.731 CB 1.830 27 residues pruned to eliminate duplicates Z: 53 77.573 2.562 0.857 0.699 0.981 0.808 CB 1.922 53 residues pruned to eliminate duplicates Z: 54 69.005 2.499 0.851 0.673 0.943 0.717 CB 1.851 54 residues pruned to eliminate duplicates Z: 53 74.080 2.521 0.871 0.690 0.942 0.769 CB 1.941 53 residues pruned to eliminate duplicates Z: 53 66.576 2.529 0.690 0.694 0.942 0.788 CB 1.919 53 residues pruned to eliminate duplicates Z: 55 71.779 2.488 0.836 0.655 0.963 0.759 CB 1.922 55 residues pruned to eliminate duplicates Z: 53 70.082 2.531 0.815 0.676 0.942 0.769 CB 1.909 53 residues pruned to eliminate duplicates Z: 53 75.738 2.504 0.896 0.683 0.981 0.788 CB 1.906 53 residues pruned to eliminate duplicates Z: 53 65.474 2.469 0.707 0.697 0.942 0.712 CB 1.910 53 residues pruned to eliminate duplicates Z: 54 66.572 2.507 0.740 0.691 0.962 0.811 CB 1.828 54 residues pruned to eliminate duplicates Z: 54 76.826 2.519 0.924 0.690 0.962 0.717 CB 1.902 54 residues pruned to eliminate duplicates Z: 54 76.655 2.525 0.880 0.702 0.981 0.792 CB 1.881 54 residues pruned to eliminate duplicates Z: 37 51.474 2.401 1.016 0.615 0.889 0.750 CB 1.789 37 residues pruned to eliminate duplicates Z: 54 76.475 2.514 0.947 0.688 0.962 0.736 CB 1.878 54 residues pruned to eliminate duplicates Z: 54 77.190 2.518 0.915 0.700 0.981 0.774 CB 1.867 54 residues pruned to eliminate duplicates Z: 57 73.184 2.413 1.044 0.689 0.929 0.661 CB 1.797 57 residues pruned to eliminate duplicates Z: 54 79.184 2.502 0.982 0.688 0.981 0.698 CB 1.882 54 residues pruned to eliminate duplicates Z: 66 86.417 2.489 0.996 0.681 0.954 0.785 CB 1.916 66 residues pruned to eliminate duplicates Z: 54 76.358 2.512 0.930 0.686 0.962 0.774 CB 1.895 54 residues pruned to eliminate duplicates Z: 53 78.303 2.501 1.068 0.668 0.962 0.692 CB 1.869 53 residues pruned to eliminate duplicates Z: 59 71.839 2.385 0.967 0.656 0.948 0.655 CB 1.834 59 residues pruned to eliminate duplicates Z: 54 78.373 2.503 1.012 0.682 0.962 0.736 CB 1.878 54 residues pruned to eliminate duplicates Z: 32 66.852 2.528 1.057 0.724 0.968 0.710 CB 1.949 32 residues pruned to eliminate duplicates Z: 57 73.056 2.460 0.916 0.648 0.964 0.804 CB 1.872 57 residues pruned to eliminate duplicates Z: 54 75.009 2.504 0.970 0.682 0.943 0.717 CB 1.873 54 residues pruned to eliminate duplicates Z: 56 74.521 2.465 0.930 0.670 0.982 0.709 CB 1.838 56 residues pruned to eliminate duplicates Z: 33 56.780 2.436 0.979 0.684 0.906 0.750 CB 1.939 33 residues pruned to eliminate duplicates Z: 33 70.262 2.535 1.105 0.729 1.000 0.781 CB 1.893 33 residues pruned to eliminate duplicates Z: 54 78.710 2.552 0.956 0.681 0.962 0.755 CB 1.905 54 residues pruned to eliminate duplicates Z: 59 69.193 2.414 0.930 0.634 0.948 0.655 CB 1.813 59 residues pruned to eliminate duplicates Z: 65 88.745 2.553 0.978 0.705 0.953 0.766 CB 1.912 65 residues pruned to eliminate duplicates Z: 36 61.728 2.487 1.123 0.643 0.914 0.657 CB 1.891 36 residues pruned to eliminate duplicates Z: 54 78.379 2.518 0.966 0.678 0.962 0.736 CB 1.919 54 residues pruned to eliminate duplicates Z: 35 62.308 2.476 1.038 0.648 0.971 0.735 CB 1.900 35 residues pruned to eliminate duplicates Z: 55 72.688 2.467 0.992 0.670 0.907 0.667 CB 1.895 55 residues pruned to eliminate duplicates Z: 55 75.670 2.473 1.019 0.667 0.926 0.704 CB 1.909 55 residues pruned to eliminate duplicates Z: 68 82.995 2.475 0.958 0.686 0.940 0.731 CB 1.875 68 residues pruned to eliminate duplicates Z: 66 91.881 2.509 1.055 0.679 0.969 0.646 CB 1.934 66 residues pruned to eliminate duplicates Z: 117 82.238 2.448 0.826 0.558 0.905 0.629 CB 1.784 117 residues pruned to eliminate duplicates Z: 29 43.214 2.452 1.114 0.530 0.857 0.643 CB 1.784 29 residues pruned to eliminate duplicates Z: 19 45.360 2.475 0.931 0.670 0.944 0.778 CB 2.023 19 residues pruned to eliminate duplicates Z: 27 42.595 2.419 1.033 0.550 0.885 0.615 CB 1.829 27 residues pruned to eliminate duplicates Z: 20 42.948 2.446 0.898 0.611 0.947 0.632 CA 2.017 20 residues pruned to eliminate duplicates Z: 20 42.544 2.384 1.137 0.601 0.947 0.684 CA 1.836 20 residues pruned to eliminate duplicates Z: 18 42.694 2.469 1.149 0.684 0.824 0.765 CB 2.000 18 residues pruned to eliminate duplicates Z: 31 40.829 2.389 0.757 0.585 0.900 0.600 CB 1.818 31 residues pruned to eliminate duplicates Z: 17 44.000 2.504 0.988 0.651 0.938 0.750 CB 2.047 17 residues pruned to eliminate duplicates Z: 45 41.586 2.405 0.763 0.456 0.864 0.477 CB 1.791 45 residues pruned to eliminate duplicates Z: 32 41.858 2.431 0.729 0.535 0.968 0.613 CB 1.786 32 residues pruned to eliminate duplicates Z: 60 41.684 2.287 0.712 0.472 0.847 0.492 CB 1.683 60 residues pruned to eliminate duplicates Z: 31 42.398 2.483 0.791 0.525 0.900 0.667 CB 1.888 31 residues pruned to eliminate duplicates Z: 21 16.142 2.284 0.482 0.374 0.750 0.450 CB 1.627 21 residues pruned to eliminate duplicates Z: 14 13.352 2.324 0.692 0.353 0.692 0.462 CB 1.594 14 residues pruned to eliminate duplicates Z: 39 31.985 2.231 0.769 0.453 0.842 0.447 CB 1.637 39 residues pruned to eliminate duplicates Z: 31 44.477 2.392 0.897 0.550 0.933 0.700 CB 1.827 31 residues pruned to eliminate duplicates Z: 18 11.580 2.064 0.577 0.337 0.765 0.471 CB 1.347 18 residues pruned to eliminate duplicates Z: 15 15.967 2.274 0.508 0.389 0.929 0.500 CB 1.507 15 residues pruned to eliminate duplicates Z: 12 15.123 2.155 0.649 0.354 0.818 0.636 CB 1.837 12 residues pruned to eliminate duplicates Z: 12 12.155 2.114 0.624 0.373 0.818 0.545 CB 1.494 12 residues pruned to eliminate duplicates Z: 59 47.532 2.318 0.837 0.489 0.879 0.569 CB 1.685 59 residues pruned to eliminate duplicates Z: 14 15.153 2.122 0.723 0.314 0.923 0.538 CB 1.529 14 residues pruned to eliminate duplicates Z: 21 16.866 2.245 0.536 0.323 0.850 0.300 CB 1.564 21 residues pruned to eliminate duplicates Z: 45 39.131 2.431 0.795 0.426 0.841 0.591 CB 1.736 45 residues pruned to eliminate duplicates Z: 36 24.446 2.249 0.546 0.404 0.800 0.514 CB 1.643 36 residues pruned to eliminate duplicates Z: 9 6.120 2.273 0.041 0.169 0.750 0.250 CB 1.823 Z: 46 40.922 2.393 0.723 0.413 0.889 0.578 CB 1.823 55 residues pruned to eliminate duplicates Z: 36 32.297 2.160 0.785 0.398 0.943 0.486 CB 1.673 36 residues pruned to eliminate duplicates Z: 26 26.137 2.262 0.844 0.427 0.840 0.520 CB 1.609 26 residues pruned to eliminate duplicates Z: 18 12.796 1.996 0.659 0.272 0.824 0.294 CB 1.473 18 residues pruned to eliminate duplicates Z: 29 30.410 2.194 0.856 0.417 0.929 0.607 CB 1.658 29 residues pruned to eliminate duplicates Z: 30 23.147 2.249 0.578 0.344 0.897 0.586 CB 1.600 30 residues pruned to eliminate duplicates Z: 18 21.551 2.096 0.790 0.483 0.882 0.471 CB 1.605 18 residues pruned to eliminate duplicates Z: 17 15.711 2.018 0.697 0.358 0.938 0.438 CB 1.425 17 residues pruned to eliminate duplicates Z: 27 25.093 2.177 0.747 0.451 0.923 0.577 CB 1.474 27 residues pruned to eliminate duplicates Z: 23 20.906 2.081 0.728 0.443 0.864 0.545 CB 1.522 23 residues pruned to eliminate duplicates Z: 29 30.047 2.266 0.742 0.424 0.929 0.464 CB 1.676 29 residues pruned to eliminate duplicates Z: 35 34.625 2.286 0.844 0.408 0.882 0.559 CB 1.759 35 residues pruned to eliminate duplicates Z: 27 30.394 2.265 0.852 0.392 0.923 0.538 CB 1.727 27 residues pruned to eliminate duplicates Z: 38 28.237 2.290 0.514 0.409 0.892 0.595 CB 1.651 38 residues pruned to eliminate duplicates Z: 25 27.870 2.088 0.884 0.468 0.917 0.542 CB 1.629 25 residues pruned to eliminate duplicates Z: 37 46.576 2.242 0.842 0.634 0.917 0.667 CB 1.808 37 residues pruned to eliminate duplicates Z: 36 47.102 2.273 0.831 0.616 0.914 0.771 CB 1.875 36 residues pruned to eliminate duplicates Z: 52 51.521 2.303 0.761 0.548 0.922 0.627 CB 1.842 52 residues pruned to eliminate duplicates Z: 30 50.931 2.328 0.801 0.666 1.000 0.793 CA 1.935 30 residues pruned to eliminate duplicates Z: 30 49.728 2.368 0.735 0.682 0.966 0.759 CA 1.970 30 residues pruned to eliminate duplicates Z: 30 51.827 2.369 0.822 0.674 0.966 0.759 CA 1.968 30 residues pruned to eliminate duplicates Z: 30 53.037 2.342 0.916 0.680 0.966 0.793 CA 1.926 30 residues pruned to eliminate duplicates Z: 21 51.651 2.450 0.911 0.705 1.000 0.850 C 2.047 21 residues pruned to eliminate duplicates Z: 31 46.928 2.283 0.844 0.652 0.967 0.700 CA 1.828 31 residues pruned to eliminate duplicates Z: 29 53.384 2.402 0.848 0.677 1.000 0.821 CA 1.930 29 residues pruned to eliminate duplicates Z: 30 53.907 2.415 0.897 0.653 0.966 0.862 CA 1.963 30 residues pruned to eliminate duplicates Z: 30 50.207 2.348 0.795 0.669 0.966 0.828 CA 1.960 30 residues pruned to eliminate duplicates Z: 33 45.595 2.304 0.730 0.625 0.938 0.750 CA 1.917 33 residues pruned to eliminate duplicates Z: 30 51.644 2.393 0.821 0.656 0.966 0.793 CA 1.971 30 residues pruned to eliminate duplicates Z: 49 52.383 2.367 0.741 0.563 0.917 0.688 CB 1.883 49 residues pruned to eliminate duplicates Z: 29 56.891 2.467 0.838 0.681 1.000 0.857 CA 2.007 29 residues pruned to eliminate duplicates Z: 31 51.280 2.339 0.916 0.633 0.967 0.733 CA 1.907 31 residues pruned to eliminate duplicates Z: 47 55.334 2.282 0.923 0.549 0.957 0.630 CB 1.852 47 residues pruned to eliminate duplicates Z: 47 44.578 2.281 0.748 0.478 0.891 0.609 CB 1.891 47 residues pruned to eliminate duplicates Z: 34 49.151 2.370 0.775 0.621 0.939 0.727 CB 1.932 34 residues pruned to eliminate duplicates Z: 30 50.430 2.378 0.879 0.615 1.000 0.793 CA 1.880 30 residues pruned to eliminate duplicates Z: 35 43.050 2.218 0.832 0.619 0.912 0.765 CA 1.780 35 residues pruned to eliminate duplicates Z: 52 52.985 2.337 0.701 0.548 0.941 0.686 CB 1.892 52 residues pruned to eliminate duplicates Z: 10 14.748 2.182 0.309 0.489 1.000 0.556 CA 1.740 10 residues pruned to eliminate duplicates Z: 10 12.748 2.077 0.442 0.472 0.889 0.667 CA 1.643 10 residues pruned to eliminate duplicates Z: 31 47.856 2.321 0.829 0.619 0.967 0.700 CA 1.904 31 residues pruned to eliminate duplicates Z: 34 44.942 2.244 0.880 0.640 0.909 0.758 CB 1.790 34 residues pruned to eliminate duplicates Z: 12 15.257 1.960 0.512 0.473 1.000 0.636 CA 1.596 12 residues pruned to eliminate duplicates Z: 10 15.900 2.051 0.669 0.564 0.889 0.556 CB 1.637 10 residues pruned to eliminate duplicates Z: 47 55.328 2.352 0.784 0.585 0.978 0.717 CB 1.831 47 residues pruned to eliminate duplicates 263 residues left after pruning, divided into chains as follows: A: 7 B: 256 CC for partial structure against native data = 32.83 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.407, Connect. = 0.776 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.796 for dens.mod. cycle 2 = 0.300, Contrast = 0.556, Connect. = 0.828 for dens.mod. cycle 3 = 0.300, Contrast = 0.566, Connect. = 0.832 for dens.mod. cycle 4 = 0.300, Contrast = 0.577, Connect. = 0.835 for dens.mod. cycle 5 = 0.300, Contrast = 0.584, Connect. = 0.838 for dens.mod. cycle 6 = 0.300, Contrast = 0.591, Connect. = 0.840 for dens.mod. cycle 7 = 0.300, Contrast = 0.596, Connect. = 0.842 for dens.mod. cycle 8 = 0.300, Contrast = 0.600, Connect. = 0.843 for dens.mod. cycle 9 = 0.300, Contrast = 0.603, Connect. = 0.844 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2159 peaks > 0.5 sigma used to seed fragment search Space for about 339 unique residues taking solvent into account 413 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 59.507 2.757 0.961 0.931 1.000 1.000 CA 2.320 B: 15 41.546 2.438 0.680 0.894 1.000 0.929 C 1.944 14 residues pruned to eliminate duplicates C: 13 51.446 2.588 0.949 0.918 1.000 0.750 C 2.076 13 residues pruned to eliminate duplicates D: 12 11.149 2.026 1.112 0.410 0.818 0.364 CB 1.055 E: 12 14.446 2.283 0.930 0.375 0.727 0.545 CB 1.553 F: 15 45.273 2.470 0.932 0.905 0.929 0.929 CA 1.943 15 residues pruned to eliminate duplicates G: 14 45.277 2.458 0.808 0.911 1.000 0.923 C 2.002 14 residues pruned to eliminate duplicates H: 8 12.091 2.328 1.539 0.539 0.571 0.571 CB 1.303 9 residues pruned to eliminate duplicates I: 15 45.833 2.417 0.904 0.909 0.929 0.929 CA 2.034 J: 14 53.524 2.508 1.192 0.927 0.923 0.846 CA 2.050 15 residues pruned to eliminate duplicates K: 14 46.304 2.524 0.811 0.878 1.000 0.846 CA 2.039 14 residues pruned to eliminate duplicates L: 15 53.639 2.345 1.253 0.914 1.000 0.786 CA 1.919 14 residues pruned to eliminate duplicates M: 13 39.550 2.522 0.821 0.930 1.000 1.000 CB 1.739 N: 32 41.956 2.481 0.797 0.539 0.903 0.613 CB 1.801 17 residues pruned to eliminate duplicates O: 19 46.434 2.442 0.713 0.939 1.000 0.889 CA 1.818 P: 14 51.812 2.370 1.175 0.924 1.000 0.615 CA 1.958 14 residues pruned to eliminate duplicates Q: 14 53.854 2.490 1.088 0.928 1.000 1.000 CA 2.011 14 residues pruned to eliminate duplicates R: 13 41.530 2.565 0.935 0.931 1.000 0.917 CB 1.688 13 residues pruned to eliminate duplicates S: 16 39.067 2.327 1.007 0.784 0.933 0.867 CA 1.802 16 residues pruned to eliminate duplicates T: 19 47.698 2.438 0.741 0.926 1.000 0.833 CA 1.857 19 residues pruned to eliminate duplicates U: 14 40.835 2.447 0.899 0.930 0.923 0.846 CA 1.847 14 residues pruned to eliminate duplicates V: 15 34.018 2.100 1.022 0.814 1.000 0.643 CB 1.630 W: 16 61.696 2.393 1.340 0.932 1.000 0.667 CB 1.987 16 residues pruned to eliminate duplicates X: 14 36.801 2.270 0.991 0.930 1.000 0.769 CB 1.579 15 residues pruned to eliminate duplicates Y: 18 46.429 2.411 0.711 0.943 1.000 1.000 CB 1.892 20 residues pruned to eliminate duplicates Z: 15 47.442 2.428 0.889 0.886 1.000 0.786 CA 1.994 15 residues pruned to eliminate duplicates Z: 12 29.349 2.354 0.671 0.811 0.909 0.818 CB 1.887 Z: 14 46.581 2.434 1.386 0.942 1.000 0.769 CB 1.543 13 residues pruned to eliminate duplicates Z: 15 40.736 2.347 0.781 0.907 1.000 0.857 CA 1.851 15 residues pruned to eliminate duplicates Z: 15 48.484 2.320 1.207 0.914 1.000 0.929 CA 1.789 15 residues pruned to eliminate duplicates Z: 12 27.781 2.376 0.477 0.871 0.909 0.818 C 1.915 12 residues pruned to eliminate duplicates Z: 14 41.027 2.514 0.742 0.893 0.923 0.846 CB 2.021 14 residues pruned to eliminate duplicates Z: 15 43.649 2.315 1.209 0.907 0.857 0.857 C 1.891 15 residues pruned to eliminate duplicates Z: 14 57.146 2.524 1.141 0.935 1.000 0.846 CB 2.044 15 residues pruned to eliminate duplicates Z: 14 34.189 2.266 0.830 0.901 1.000 0.846 CB 1.632 14 residues pruned to eliminate duplicates Z: 11 31.341 2.197 1.011 0.891 0.900 0.400 CB 1.792 12 residues pruned to eliminate duplicates Z: 17 51.869 2.485 0.897 0.953 1.000 0.938 CA 1.892 17 residues pruned to eliminate duplicates Z: 18 47.582 2.459 0.747 0.925 1.000 0.706 CB 1.885 18 residues pruned to eliminate duplicates Z: 16 52.229 2.318 1.232 0.918 1.000 1.000 CB 1.839 16 residues pruned to eliminate duplicates Z: 14 36.802 2.427 0.988 0.920 1.000 0.923 CB 1.490 14 residues pruned to eliminate duplicates Z: 17 39.331 2.498 0.602 0.935 0.938 0.938 CB 1.826 17 residues pruned to eliminate duplicates Z: 17 51.590 2.478 0.954 0.950 1.000 0.938 CA 1.837 17 residues pruned to eliminate duplicates Z: 50 66.281 2.426 0.743 0.718 0.959 0.755 CB 1.917 13 residues pruned to eliminate duplicates Z: 17 56.827 2.515 1.033 0.947 1.000 0.938 CB 1.920 17 residues pruned to eliminate duplicates Z: 19 41.028 2.350 0.703 0.891 1.000 0.889 CA 1.738 19 residues pruned to eliminate duplicates Z: 18 49.516 2.443 0.868 0.925 1.000 0.765 CB 1.846 18 residues pruned to eliminate duplicates Z: 14 29.822 2.085 0.676 0.879 1.000 0.846 CA 1.717 13 residues pruned to eliminate duplicates Z: 28 28.560 2.309 0.758 0.377 0.926 0.519 CB 1.668 4 residues pruned to eliminate duplicates Z: 17 49.617 2.462 0.865 0.953 1.000 0.938 CA 1.859 17 residues pruned to eliminate duplicates Z: 14 18.463 2.404 0.571 0.428 0.846 0.462 CB 1.726 14 residues pruned to eliminate duplicates Z: 14 33.292 2.417 0.742 0.945 1.000 1.000 CB 1.518 14 residues pruned to eliminate duplicates Z: 13 35.595 2.503 0.695 0.941 1.000 0.833 CB 1.681 13 residues pruned to eliminate duplicates Z: 12 32.081 2.259 0.599 0.911 1.000 0.909 C 1.898 12 residues pruned to eliminate duplicates Z: 13 54.032 2.504 1.137 0.906 1.000 0.917 CA 2.073 13 residues pruned to eliminate duplicates Z: 13 44.398 2.380 0.986 0.930 1.000 0.917 CB 1.896 13 residues pruned to eliminate duplicates Z: 17 42.086 2.503 0.536 0.952 1.000 1.000 CB 1.885 17 residues pruned to eliminate duplicates Z: 15 31.161 2.229 0.745 0.898 1.000 0.929 CB 1.531 Z: 18 36.138 2.381 0.484 0.932 0.941 0.941 CB 1.841 18 residues pruned to eliminate duplicates Z: 11 40.606 2.437 0.856 0.896 1.000 0.900 CB 2.033 13 residues pruned to eliminate duplicates Z: 13 33.523 2.516 0.539 0.940 1.000 0.833 CB 1.735 13 residues pruned to eliminate duplicates Z: 19 46.281 2.382 0.708 0.932 1.000 0.889 CB 1.872 18 residues pruned to eliminate duplicates Z: 15 47.829 2.434 1.274 0.892 0.929 0.643 C 1.786 15 residues pruned to eliminate duplicates Z: 13 37.358 2.550 0.694 0.927 1.000 0.833 CB 1.749 13 residues pruned to eliminate duplicates Z: 40 41.185 2.579 0.701 0.497 0.795 0.692 CB 1.897 38 residues pruned to eliminate duplicates Z: 13 33.026 2.249 0.733 0.827 1.000 0.750 C 1.843 12 residues pruned to eliminate duplicates Z: 58 50.694 2.434 0.795 0.468 0.860 0.544 CB 1.847 58 residues pruned to eliminate duplicates Z: 23 35.634 2.059 0.815 0.766 1.000 0.773 CB 1.606 18 residues pruned to eliminate duplicates Z: 13 46.343 2.575 0.955 0.894 0.917 0.750 CA 2.080 13 residues pruned to eliminate duplicates Z: 19 43.190 2.392 0.632 0.926 1.000 0.833 CB 1.828 19 residues pruned to eliminate duplicates Z: 18 43.884 2.426 0.582 0.950 1.000 0.941 CA 1.913 18 residues pruned to eliminate duplicates Z: 32 31.056 2.384 0.677 0.417 0.903 0.548 CB 1.684 28 residues pruned to eliminate duplicates Z: 17 49.320 2.518 0.749 0.950 1.000 0.875 CA 1.931 17 residues pruned to eliminate duplicates Z: 13 23.115 2.220 0.432 0.829 0.917 0.750 C 1.723 13 residues pruned to eliminate duplicates Z: 13 55.300 2.556 1.436 0.950 1.000 0.917 CB 1.769 14 residues pruned to eliminate duplicates Z: 25 36.516 2.366 0.894 0.529 0.917 0.708 CB 1.764 28 residues pruned to eliminate duplicates Z: 17 48.854 2.425 0.913 0.920 1.000 0.938 CB 1.854 18 residues pruned to eliminate duplicates Z: 94 78.043 2.403 0.803 0.589 0.914 0.634 CB 1.876 90 residues pruned to eliminate duplicates Z: 40 44.390 2.479 0.816 0.461 0.846 0.538 CB 1.942 40 residues pruned to eliminate duplicates Z: 51 64.530 2.375 0.790 0.714 0.940 0.780 CB 1.882 51 residues pruned to eliminate duplicates Z: 15 53.386 2.466 1.292 0.809 0.929 0.714 C 2.076 15 residues pruned to eliminate duplicates Z: 14 54.355 2.555 1.269 0.915 0.846 0.615 C 2.172 14 residues pruned to eliminate duplicates Z: 15 45.580 2.425 0.894 0.920 0.929 0.714 CA 2.012 15 residues pruned to eliminate duplicates Z: 12 26.994 2.214 0.382 0.929 1.000 1.000 C 1.861 12 residues pruned to eliminate duplicates Z: 15 50.029 2.400 1.045 0.891 1.000 0.857 CB 1.959 14 residues pruned to eliminate duplicates Z: 12 22.519 2.267 0.372 0.835 0.909 0.727 CA 1.799 12 residues pruned to eliminate duplicates Z: 7 9.996 1.891 0.844 0.728 0.833 0.833 CA 1.143 7 residues pruned to eliminate duplicates Z: 13 26.196 2.146 0.621 0.888 1.000 0.750 CA 1.566 13 residues pruned to eliminate duplicates Z: 18 40.127 2.463 0.467 0.934 1.000 0.941 CA 1.878 18 residues pruned to eliminate duplicates Z: 15 47.433 2.550 0.856 0.926 0.929 0.857 C 2.023 15 residues pruned to eliminate duplicates Z: 17 48.827 2.475 0.832 0.940 1.000 1.000 CA 1.870 17 residues pruned to eliminate duplicates Z: 13 28.096 2.252 0.638 0.901 0.917 0.833 C 1.712 13 residues pruned to eliminate duplicates Z: 14 28.217 2.272 0.592 0.926 1.000 0.769 CB 1.517 14 residues pruned to eliminate duplicates Z: 14 33.978 2.290 0.785 0.923 1.000 0.846 CB 1.620 14 residues pruned to eliminate duplicates Z: 17 53.293 2.495 0.857 0.951 1.000 1.000 CB 1.982 17 residues pruned to eliminate duplicates Z: 12 29.054 2.175 0.616 0.878 1.000 0.818 CA 1.809 12 residues pruned to eliminate duplicates Z: 17 45.553 2.491 0.676 0.949 1.000 0.812 CB 1.882 17 residues pruned to eliminate duplicates Z: 53 77.070 2.535 0.932 0.680 0.962 0.750 CB 1.924 45 residues pruned to eliminate duplicates Z: 16 51.030 2.516 0.793 0.932 1.000 0.800 CA 2.040 16 residues pruned to eliminate duplicates Z: 13 43.507 2.525 1.016 0.915 1.000 1.000 CB 1.742 13 residues pruned to eliminate duplicates Z: 82 69.864 2.437 0.789 0.559 0.926 0.654 CB 1.815 58 residues pruned to eliminate duplicates Z: 12 24.972 2.201 0.702 0.895 1.000 0.909 CA 1.441 12 residues pruned to eliminate duplicates Z: 15 27.765 2.273 0.379 0.884 1.000 0.929 CB 1.710 15 residues pruned to eliminate duplicates Z: 18 32.285 2.193 0.709 0.834 0.941 0.882 CA 1.665 18 residues pruned to eliminate duplicates Z: 13 45.985 2.404 1.131 0.901 1.000 0.500 CB 1.849 13 residues pruned to eliminate duplicates Z: 15 47.445 2.395 1.108 0.918 0.929 0.786 CB 1.908 15 residues pruned to eliminate duplicates Z: 12 29.269 2.157 0.672 0.912 1.000 0.909 C 1.733 12 residues pruned to eliminate duplicates Z: 17 46.240 2.494 0.705 0.940 1.000 0.938 CB 1.888 17 residues pruned to eliminate duplicates Z: 34 22.818 2.154 0.572 0.402 0.848 0.424 CB 1.532 Z: 13 44.313 2.512 1.060 0.938 1.000 0.750 CB 1.719 13 residues pruned to eliminate duplicates Z: 17 57.094 2.491 1.077 0.932 1.000 0.875 CB 1.926 17 residues pruned to eliminate duplicates Z: 15 54.884 2.409 1.265 0.915 1.000 0.929 CA 1.900 16 residues pruned to eliminate duplicates Z: 12 29.738 2.097 1.033 0.876 1.000 0.818 C 1.529 12 residues pruned to eliminate duplicates Z: 52 67.819 2.394 0.850 0.711 0.941 0.804 CB 1.881 52 residues pruned to eliminate duplicates Z: 17 32.655 2.176 0.583 0.938 1.000 1.000 CB 1.647 17 residues pruned to eliminate duplicates Z: 12 46.183 2.521 0.969 0.937 1.000 0.818 CB 1.952 12 residues pruned to eliminate duplicates Z: 18 34.967 2.095 0.925 0.916 1.000 0.706 CB 1.484 18 residues pruned to eliminate duplicates Z: 13 29.752 2.398 0.426 0.911 1.000 0.917 CB 1.779 13 residues pruned to eliminate duplicates Z: 14 29.260 2.391 0.666 0.915 1.000 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 49 48.352 2.349 0.728 0.568 0.938 0.750 CB 1.717 49 residues pruned to eliminate duplicates Z: 11 28.010 2.244 0.604 0.915 1.000 1.000 CA 1.739 11 residues pruned to eliminate duplicates Z: 51 67.025 2.387 0.840 0.710 0.960 0.800 CB 1.859 51 residues pruned to eliminate duplicates Z: 14 43.250 2.258 1.138 0.937 1.000 0.615 CB 1.729 14 residues pruned to eliminate duplicates Z: 15 30.690 2.038 0.823 0.939 1.000 0.929 CB 1.535 15 residues pruned to eliminate duplicates Z: 6 7.535 1.880 0.301 0.741 0.800 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 30 52.013 2.395 0.848 0.645 0.966 0.793 CB 1.973 17 residues pruned to eliminate duplicates Z: 12 36.496 2.235 1.062 0.841 1.000 0.727 CA 1.781 13 residues pruned to eliminate duplicates Z: 65 62.484 2.311 0.861 0.626 0.906 0.656 CB 1.779 65 residues pruned to eliminate duplicates Z: 16 32.564 2.171 0.635 0.893 1.000 0.733 CB 1.701 16 residues pruned to eliminate duplicates Z: 11 13.263 2.102 0.368 0.436 0.900 0.700 C 1.732 11 residues pruned to eliminate duplicates Z: 14 37.244 2.417 0.929 0.903 1.000 0.692 CB 1.580 14 residues pruned to eliminate duplicates Z: 15 37.547 2.270 0.889 0.864 1.000 0.929 C 1.716 15 residues pruned to eliminate duplicates Z: 16 28.534 2.207 0.423 0.865 1.000 0.867 CB 1.719 16 residues pruned to eliminate duplicates Z: 14 58.582 2.413 1.463 0.865 1.000 0.462 C 2.003 14 residues pruned to eliminate duplicates Z: 17 44.008 2.479 0.644 0.936 1.000 1.000 CB 1.879 17 residues pruned to eliminate duplicates Z: 12 24.383 2.099 0.601 0.889 1.000 0.909 CA 1.575 12 residues pruned to eliminate duplicates Z: 18 32.286 2.053 0.826 0.938 1.000 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 15 26.566 2.211 0.326 0.924 1.000 0.929 CB 1.700 15 residues pruned to eliminate duplicates Z: 18 33.509 2.149 0.713 0.942 1.000 0.882 CB 1.531 18 residues pruned to eliminate duplicates Z: 15 24.665 2.310 0.212 0.899 1.000 1.000 CB 1.683 15 residues pruned to eliminate duplicates Z: 17 55.433 2.519 0.940 0.955 1.000 0.938 CA 1.950 17 residues pruned to eliminate duplicates Z: 15 40.054 2.397 0.922 0.792 0.929 0.571 CB 1.937 15 residues pruned to eliminate duplicates Z: 18 34.651 2.104 0.851 0.925 1.000 0.941 CB 1.514 18 residues pruned to eliminate duplicates Z: 14 33.923 2.426 0.811 0.921 1.000 0.846 CB 1.507 14 residues pruned to eliminate duplicates Z: 47 38.638 2.250 0.661 0.483 0.913 0.565 CB 1.699 48 residues pruned to eliminate duplicates Z: 11 32.755 2.293 0.780 0.894 1.000 0.700 CA 1.822 11 residues pruned to eliminate duplicates Z: 15 26.533 2.270 0.447 0.855 1.000 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 19 19.674 2.159 0.720 0.466 0.833 0.556 CB 1.551 19 residues pruned to eliminate duplicates Z: 17 42.401 2.422 0.745 0.923 0.938 0.688 CB 1.880 17 residues pruned to eliminate duplicates Z: 14 43.350 2.323 1.082 0.915 0.923 0.846 CB 1.903 14 residues pruned to eliminate duplicates Z: 15 35.123 2.247 0.706 0.931 1.000 0.857 CB 1.711 16 residues pruned to eliminate duplicates Z: 14 41.818 2.273 1.045 0.943 1.000 0.615 CB 1.730 14 residues pruned to eliminate duplicates Z: 8 4.994 1.639 -0.086 0.629 0.857 0.429 CA 1.301 8 residues pruned to eliminate duplicates Z: 14 14.529 2.349 0.367 0.460 0.923 0.615 CB 1.416 14 residues pruned to eliminate duplicates Z: 14 12.150 2.224 0.427 0.448 0.692 0.615 CB 1.617 14 residues pruned to eliminate duplicates Z: 57 64.659 2.428 0.686 0.666 0.964 0.732 CB 1.878 57 residues pruned to eliminate duplicates Z: 18 33.787 2.207 0.744 0.826 0.941 0.765 CA 1.706 18 residues pruned to eliminate duplicates Z: 18 33.015 2.163 0.894 0.781 0.941 0.588 CA 1.622 18 residues pruned to eliminate duplicates Z: 9 18.694 2.129 0.883 0.455 1.000 0.750 CA 1.726 9 residues pruned to eliminate duplicates Z: 39 54.980 2.566 0.887 0.528 0.895 0.711 CB 2.003 39 residues pruned to eliminate duplicates Z: 18 35.086 2.155 0.773 0.940 1.000 0.941 CB 1.547 18 residues pruned to eliminate duplicates Z: 13 33.262 2.394 0.498 0.923 1.000 1.000 CB 1.881 13 residues pruned to eliminate duplicates Z: 20 25.488 2.358 0.753 0.471 0.842 0.474 CB 1.730 20 residues pruned to eliminate duplicates Z: 31 28.261 2.373 0.774 0.439 0.767 0.500 CB 1.702 31 residues pruned to eliminate duplicates Z: 12 16.587 2.382 0.386 0.487 0.818 0.545 CB 1.876 12 residues pruned to eliminate duplicates Z: 20 41.665 2.267 0.803 0.883 0.947 0.684 CB 1.785 20 residues pruned to eliminate duplicates Z: 53 57.289 2.288 0.834 0.690 0.923 0.635 CB 1.723 53 residues pruned to eliminate duplicates Z: 20 21.170 2.350 0.510 0.399 0.895 0.632 CB 1.701 20 residues pruned to eliminate duplicates Z: 18 31.055 2.192 0.554 0.819 1.000 0.765 CA 1.676 18 residues pruned to eliminate duplicates Z: 55 72.776 2.500 0.861 0.679 0.963 0.704 CB 1.874 55 residues pruned to eliminate duplicates Z: 18 34.131 2.162 0.742 0.811 1.000 0.824 CA 1.676 18 residues pruned to eliminate duplicates Z: 42 36.784 2.359 0.717 0.441 0.854 0.537 CB 1.766 38 residues pruned to eliminate duplicates Z: 18 26.776 2.139 0.468 0.826 0.941 0.824 CA 1.656 18 residues pruned to eliminate duplicates Z: 16 31.572 2.283 0.504 0.944 1.000 0.933 CB 1.644 16 residues pruned to eliminate duplicates Z: 9 7.606 1.768 0.552 0.467 0.750 0.375 N 1.351 7 residues pruned to eliminate duplicates Z: 12 22.509 2.098 1.028 0.509 0.909 0.818 C 1.739 9 residues pruned to eliminate duplicates Z: 35 25.000 2.346 0.500 0.321 0.853 0.441 CB 1.740 35 residues pruned to eliminate duplicates Z: 13 51.448 2.482 1.193 0.888 1.000 0.750 C 1.966 13 residues pruned to eliminate duplicates Z: 18 36.019 2.207 0.739 0.842 1.000 0.824 CA 1.697 18 residues pruned to eliminate duplicates Z: 26 31.438 2.200 0.885 0.470 0.920 0.600 CB 1.700 26 residues pruned to eliminate duplicates Z: 17 33.294 2.196 0.694 0.953 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 74 81.369 2.519 0.814 0.639 0.918 0.753 CB 1.993 163 residues pruned to eliminate duplicates Z: 17 32.996 2.176 0.758 0.833 1.000 0.750 CB 1.617 17 residues pruned to eliminate duplicates Z: 32 48.260 2.571 0.823 0.559 0.871 0.710 CB 2.005 32 residues pruned to eliminate duplicates Z: 15 42.862 2.361 0.659 0.899 1.000 0.929 CA 2.090 15 residues pruned to eliminate duplicates Z: 14 24.690 2.295 0.473 0.860 0.923 0.923 CB 1.613 14 residues pruned to eliminate duplicates Z: 15 27.229 2.141 0.703 0.862 1.000 0.857 CB 1.466 Z: 34 34.481 2.412 0.709 0.396 0.909 0.545 CB 1.787 Z: 35 27.567 2.287 0.657 0.379 0.853 0.529 CB 1.664 69 residues pruned to eliminate duplicates Z: 19 28.502 2.079 0.830 0.790 0.889 0.611 CA 1.540 19 residues pruned to eliminate duplicates Z: 13 38.497 2.434 0.678 0.930 1.000 0.917 CA 1.903 13 residues pruned to eliminate duplicates Z: 28 26.881 2.124 0.890 0.410 0.852 0.556 CB 1.663 28 residues pruned to eliminate duplicates Z: 11 10.673 2.279 0.374 0.392 0.900 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 18 29.526 2.201 0.737 0.817 0.824 0.706 CA 1.728 18 residues pruned to eliminate duplicates Z: 15 27.573 2.433 0.436 0.885 0.857 0.786 CB 1.777 30 residues pruned to eliminate duplicates Z: 16 35.708 2.126 0.907 0.924 1.000 0.933 CB 1.597 Z: 16 34.414 2.043 0.942 0.927 1.000 0.800 CB 1.570 Z: 18 32.350 2.070 0.789 0.959 1.000 1.000 CB 1.453 16 residues pruned to eliminate duplicates Z: 30 22.256 2.082 0.751 0.387 0.862 0.483 CB 1.482 30 residues pruned to eliminate duplicates Z: 25 23.928 2.121 0.842 0.416 0.917 0.583 CB 1.489 25 residues pruned to eliminate duplicates Z: 19 32.720 2.320 0.607 0.766 0.889 0.722 CA 1.838 35 residues pruned to eliminate duplicates Z: 13 48.812 2.505 1.403 0.952 1.000 0.750 CB 1.613 13 residues pruned to eliminate duplicates Z: 37 51.319 2.491 1.005 0.482 0.917 0.556 CB 1.903 37 residues pruned to eliminate duplicates Z: 8 9.493 1.953 0.927 0.391 0.714 0.571 CA 1.499 8 residues pruned to eliminate duplicates Z: 29 29.407 2.338 0.935 0.405 0.786 0.500 CB 1.727 Z: 65 64.816 2.268 0.883 0.670 0.938 0.703 CB 1.730 65 residues pruned to eliminate duplicates Z: 14 33.075 2.270 0.592 0.941 1.000 0.923 CB 1.761 14 residues pruned to eliminate duplicates Z: 15 34.069 2.228 0.777 0.918 1.000 0.857 CB 1.623 Z: 14 11.840 1.964 0.497 0.330 0.923 0.615 CB 1.459 6 residues pruned to eliminate duplicates Z: 31 48.929 2.636 0.737 0.576 0.933 0.667 CB 1.943 31 residues pruned to eliminate duplicates Z: 15 26.606 2.285 0.385 0.852 1.000 0.786 CB 1.662 14 residues pruned to eliminate duplicates Z: 15 26.406 2.102 0.703 0.860 0.929 0.786 CA 1.561 15 residues pruned to eliminate duplicates Z: 17 28.469 2.180 0.543 0.939 1.000 1.000 CB 1.470 17 residues pruned to eliminate duplicates Z: 14 33.624 2.290 0.679 0.915 1.000 0.846 CB 1.715 14 residues pruned to eliminate duplicates Z: 11 13.853 2.437 0.705 0.575 0.700 0.700 CB 1.401 Z: 29 49.169 2.561 1.128 0.493 0.893 0.536 CB 1.924 40 residues pruned to eliminate duplicates Z: 18 34.426 2.099 0.911 0.930 1.000 0.882 CB 1.456 18 residues pruned to eliminate duplicates Z: 16 46.226 2.473 0.876 0.945 1.000 0.867 CB 1.781 16 residues pruned to eliminate duplicates Z: 47 42.652 2.301 0.763 0.542 0.870 0.739 CB 1.711 45 residues pruned to eliminate duplicates Z: 17 36.623 2.417 0.572 0.711 1.000 0.812 CA 1.990 17 residues pruned to eliminate duplicates Z: 18 31.670 2.055 0.926 0.924 1.000 0.706 CB 1.364 18 residues pruned to eliminate duplicates Z: 24 25.936 2.184 0.906 0.394 0.870 0.609 CB 1.672 24 residues pruned to eliminate duplicates Z: 18 31.169 2.157 0.628 0.954 1.000 0.824 CB 1.480 18 residues pruned to eliminate duplicates Z: 17 34.014 2.219 0.732 0.942 1.000 0.875 CB 1.535 17 residues pruned to eliminate duplicates Z: 12 22.893 2.073 0.907 0.609 0.909 0.545 C 1.731 12 residues pruned to eliminate duplicates Z: 6 7.511 1.677 1.154 0.669 0.800 0.600 N 0.995 6 residues pruned to eliminate duplicates Z: 13 35.902 2.463 0.677 0.907 1.000 0.833 CB 1.783 13 residues pruned to eliminate duplicates Z: 13 20.638 1.954 0.847 0.560 1.000 0.667 C 1.557 13 residues pruned to eliminate duplicates Z: 34 48.462 2.267 0.968 0.620 0.939 0.727 CB 1.797 30 residues pruned to eliminate duplicates Z: 19 49.164 2.272 1.068 0.882 1.000 0.778 CA 1.784 27 residues pruned to eliminate duplicates Z: 28 36.821 2.141 0.808 0.673 0.926 0.704 CB 1.685 28 residues pruned to eliminate duplicates Z: 10 9.992 1.899 0.535 0.481 0.889 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 19 49.737 2.475 0.840 0.914 1.000 0.889 CA 1.820 19 residues pruned to eliminate duplicates Z: 14 36.693 2.219 0.828 0.920 1.000 0.923 CA 1.767 14 residues pruned to eliminate duplicates Z: 18 27.463 2.092 0.563 0.916 1.000 0.824 CB 1.438 18 residues pruned to eliminate duplicates Z: 7 4.457 1.456 0.616 0.345 0.833 0.500 O 1.098 Z: 10 20.838 2.149 1.273 0.431 0.889 0.667 C 1.718 10 residues pruned to eliminate duplicates Z: 7 10.632 2.028 0.591 0.518 1.000 0.500 CB 1.321 7 residues pruned to eliminate duplicates Z: 31 35.900 2.399 0.647 0.534 0.867 0.667 CB 1.852 31 residues pruned to eliminate duplicates Z: 18 31.455 2.131 0.686 0.936 1.000 0.941 CB 1.479 18 residues pruned to eliminate duplicates Z: 6 5.426 1.776 -0.105 0.650 0.800 0.400 O 1.658 6 residues pruned to eliminate duplicates Z: 43 59.601 2.494 0.849 0.667 0.929 0.714 CB 1.841 43 residues pruned to eliminate duplicates Z: 13 10.197 2.170 0.507 0.352 0.667 0.417 CB 1.585 13 residues pruned to eliminate duplicates Z: 15 10.959 2.021 0.890 0.320 0.857 0.429 CB 1.091 Z: 18 34.120 2.065 0.807 0.900 1.000 0.882 CB 1.584 18 residues pruned to eliminate duplicates Z: 19 12.654 2.076 0.930 0.212 0.667 0.389 CB 1.569 19 residues pruned to eliminate duplicates Z: 14 54.638 2.453 1.433 0.922 0.923 0.769 CA 1.935 14 residues pruned to eliminate duplicates Z: 22 37.917 2.228 0.854 0.726 0.952 0.619 CA 1.716 22 residues pruned to eliminate duplicates Z: 25 21.171 2.291 0.732 0.450 0.792 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 18 28.375 2.105 0.496 0.908 1.000 0.941 CB 1.551 18 residues pruned to eliminate duplicates Z: 13 39.126 2.496 0.965 0.922 1.000 0.833 CB 1.619 13 residues pruned to eliminate duplicates Z: 11 10.126 1.576 0.780 0.537 0.900 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 16 37.748 2.395 0.586 0.815 1.000 0.800 CA 1.951 16 residues pruned to eliminate duplicates Z: 12 13.251 1.964 0.791 0.352 0.818 0.545 C 1.630 12 residues pruned to eliminate duplicates Z: 11 30.171 2.232 1.259 0.832 0.900 0.800 CB 1.578 11 residues pruned to eliminate duplicates Z: 10 12.732 2.111 0.608 0.313 0.889 0.556 CB 1.729 10 residues pruned to eliminate duplicates Z: 17 25.148 2.119 1.106 0.440 0.875 0.438 CA 1.713 17 residues pruned to eliminate duplicates Z: 18 35.283 2.122 0.992 0.807 0.941 0.588 CA 1.645 18 residues pruned to eliminate duplicates Z: 26 38.087 2.174 0.792 0.663 0.960 0.800 CB 1.751 26 residues pruned to eliminate duplicates Z: 8 3.890 1.705 0.416 0.521 0.714 0.429 CA 0.835 8 residues pruned to eliminate duplicates Z: 22 37.959 2.386 0.933 0.593 0.952 0.714 CB 1.726 31 residues pruned to eliminate duplicates Z: 17 41.222 2.364 0.613 0.942 1.000 0.938 CB 1.874 17 residues pruned to eliminate duplicates Z: 38 40.191 2.548 0.606 0.496 0.892 0.649 CB 1.817 38 residues pruned to eliminate duplicates Z: 37 44.566 2.353 0.865 0.608 0.917 0.750 CB 1.666 37 residues pruned to eliminate duplicates Z: 7 9.254 2.009 0.307 0.720 1.000 0.333 CA 1.180 7 residues pruned to eliminate duplicates Z: 14 37.126 2.436 1.048 0.925 1.000 0.769 CB 1.449 14 residues pruned to eliminate duplicates Z: 16 26.525 2.078 0.503 0.917 1.000 0.933 CB 1.549 16 residues pruned to eliminate duplicates Z: 15 19.704 1.970 0.390 0.898 0.929 0.857 CB 1.481 15 residues pruned to eliminate duplicates Z: 31 29.355 2.216 0.564 0.487 0.867 0.533 CB 1.807 31 residues pruned to eliminate duplicates Z: 16 25.383 1.963 0.656 0.869 1.000 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 23 38.925 2.397 0.675 0.714 0.955 0.682 CB 1.784 39 residues pruned to eliminate duplicates Z: 18 33.039 2.196 0.741 0.825 0.941 0.824 CB 1.680 18 residues pruned to eliminate duplicates Z: 17 32.048 2.198 0.682 0.823 0.938 0.812 CA 1.748 17 residues pruned to eliminate duplicates Z: 13 50.396 2.594 0.872 0.906 1.000 0.833 CA 2.131 13 residues pruned to eliminate duplicates Z: 15 30.845 2.167 0.803 0.908 1.000 0.929 CB 1.498 Z: 35 47.147 2.490 0.859 0.582 0.853 0.618 CB 1.893 35 residues pruned to eliminate duplicates Z: 20 22.041 2.221 1.086 0.357 0.789 0.474 CB 1.614 20 residues pruned to eliminate duplicates Z: 12 31.304 2.143 1.095 0.905 1.000 0.818 CA 1.496 12 residues pruned to eliminate duplicates Z: 20 29.975 2.221 0.684 0.748 0.947 0.526 CB 1.556 20 residues pruned to eliminate duplicates Z: 6 9.563 1.769 0.913 0.684 1.000 0.400 CA 1.067 6 residues pruned to eliminate duplicates Z: 50 53.599 2.355 0.828 0.594 0.939 0.673 CB 1.733 50 residues pruned to eliminate duplicates Z: 17 36.521 2.149 0.829 0.909 1.000 0.750 CB 1.648 17 residues pruned to eliminate duplicates Z: 27 29.766 2.007 0.646 0.602 0.962 0.654 CB 1.667 27 residues pruned to eliminate duplicates Z: 15 29.000 1.990 0.886 0.874 0.929 0.643 CB 1.619 15 residues pruned to eliminate duplicates Z: 18 26.459 2.126 0.775 0.531 1.000 0.706 CA 1.650 18 residues pruned to eliminate duplicates Z: 15 8.804 2.037 0.370 0.342 0.714 0.500 CB 1.402 15 residues pruned to eliminate duplicates Z: 26 29.511 2.172 0.704 0.574 0.920 0.720 CB 1.614 41 residues pruned to eliminate duplicates Z: 15 22.946 2.034 0.625 0.871 1.000 1.000 CB 1.353 15 residues pruned to eliminate duplicates Z: 32 36.406 2.393 0.815 0.513 0.839 0.548 CB 1.772 32 residues pruned to eliminate duplicates Z: 18 41.603 2.474 1.197 0.498 0.941 0.647 C 1.977 18 residues pruned to eliminate duplicates Z: 15 54.754 2.396 1.090 0.943 1.000 0.929 CA 2.025 15 residues pruned to eliminate duplicates Z: 13 31.576 2.606 1.068 0.396 0.917 0.750 CA 2.059 13 residues pruned to eliminate duplicates Z: 6 6.396 1.753 0.254 0.770 0.800 0.600 CB 1.281 6 residues pruned to eliminate duplicates Z: 14 28.286 2.326 0.372 0.923 1.000 0.923 CB 1.727 14 residues pruned to eliminate duplicates Z: 27 31.016 2.384 0.765 0.423 0.885 0.615 CB 1.770 27 residues pruned to eliminate duplicates Z: 8 10.464 1.811 0.829 0.427 0.857 0.429 CB 1.504 8 residues pruned to eliminate duplicates Z: 20 30.658 2.018 0.588 0.840 1.000 0.895 CB 1.637 20 residues pruned to eliminate duplicates Z: 13 19.482 1.932 0.624 0.799 0.917 0.833 CA 1.505 13 residues pruned to eliminate duplicates Z: 11 33.285 2.226 0.883 0.940 1.000 0.700 CA 1.744 11 residues pruned to eliminate duplicates Z: 21 30.568 2.373 0.794 0.579 0.800 0.600 CB 1.861 21 residues pruned to eliminate duplicates Z: 14 33.744 2.082 0.906 0.945 1.000 0.923 CB 1.632 14 residues pruned to eliminate duplicates Z: 12 10.681 1.729 0.356 0.444 1.000 0.818 CB 1.455 Z: 40 32.097 2.295 0.605 0.381 0.846 0.359 CB 1.871 40 residues pruned to eliminate duplicates Z: 6 3.991 1.754 0.674 0.462 0.800 0.400 CB 0.789 6 residues pruned to eliminate duplicates Z: 25 47.741 2.410 1.115 0.610 0.958 0.625 CB 1.799 25 residues pruned to eliminate duplicates Z: 9 11.778 2.112 0.848 0.439 0.750 0.625 CB 1.516 9 residues pruned to eliminate duplicates Z: 14 49.506 2.399 1.564 0.946 0.923 0.923 CB 1.673 14 residues pruned to eliminate duplicates Z: 17 37.375 2.327 0.971 0.836 1.000 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 14 12.685 2.356 0.261 0.374 0.769 0.538 CB 1.761 11 residues pruned to eliminate duplicates Z: 19 16.385 2.172 0.524 0.348 0.833 0.556 CB 1.650 19 residues pruned to eliminate duplicates Z: 11 19.327 2.455 0.782 0.293 0.900 0.500 CA 1.957 11 residues pruned to eliminate duplicates Z: 36 52.831 2.382 0.952 0.648 0.971 0.600 CB 1.723 36 residues pruned to eliminate duplicates Z: 33 57.019 2.512 0.990 0.649 0.969 0.719 CB 1.812 33 residues pruned to eliminate duplicates Z: 7 16.680 1.995 1.086 0.519 1.000 0.500 CA 1.606 7 residues pruned to eliminate duplicates Z: 11 20.321 2.157 0.679 0.461 1.000 0.800 CB 1.847 11 residues pruned to eliminate duplicates Z: 33 47.220 2.327 0.785 0.701 0.938 0.781 CB 1.785 33 residues pruned to eliminate duplicates Z: 6 2.969 1.514 0.491 0.401 0.800 0.400 CB 0.817 Z: 7 30.950 2.044 1.780 0.869 1.000 0.667 CB 1.624 11 residues pruned to eliminate duplicates Z: 43 56.660 2.310 0.895 0.674 0.929 0.595 CA 1.833 43 residues pruned to eliminate duplicates Z: 24 33.837 2.107 0.864 0.679 0.913 0.609 CB 1.668 24 residues pruned to eliminate duplicates Z: 19 41.598 2.148 1.055 0.897 0.944 0.833 CB 1.684 19 residues pruned to eliminate duplicates Z: 13 28.540 2.454 0.848 0.476 0.917 0.750 CA 2.031 9 residues pruned to eliminate duplicates 6 1.962 1.313 0.344 0.478 0.600 0.400 CB 0.847 ? Z: 7 5.446 1.518 0.255 0.595 1.000 0.667 CA 1.065 7 residues pruned to eliminate duplicates Z: 43 67.441 2.507 0.938 0.690 0.976 0.714 CB 1.844 43 residues pruned to eliminate duplicates Z: 30 50.189 2.356 0.833 0.669 0.966 0.862 CA 1.911 30 residues pruned to eliminate duplicates Z: 7 16.429 2.077 1.007 0.731 0.833 0.333 CA 1.568 7 residues pruned to eliminate duplicates Z: 10 22.539 2.223 0.757 0.574 1.000 0.889 CA 1.791 11 residues pruned to eliminate duplicates Z: 10 16.823 2.151 0.391 0.783 0.889 0.778 CA 1.643 Z: 20 40.444 2.511 1.039 0.503 0.895 0.579 CA 2.019 20 residues pruned to eliminate duplicates Z: 7 10.971 1.975 1.048 0.517 0.833 0.667 CB 1.307 7 residues pruned to eliminate duplicates 6 1.799 1.240 0.190 0.403 0.600 0.200 C 1.007 ? Z: 25 48.780 2.463 0.583 0.781 1.000 0.833 CA 1.993 25 residues pruned to eliminate duplicates Z: 8 7.989 1.599 1.418 0.456 0.714 0.571 CB 1.144 8 residues pruned to eliminate duplicates Z: 43 55.825 2.329 0.956 0.651 0.905 0.643 CB 1.816 43 residues pruned to eliminate duplicates Z: 12 12.953 1.743 0.510 0.747 0.909 0.909 CA 1.308 11 residues pruned to eliminate duplicates Z: 14 27.386 2.398 0.339 0.904 1.000 1.000 CB 1.684 9 residues pruned to eliminate duplicates Z: 18 34.361 2.073 0.914 0.925 1.000 0.824 CB 1.474 18 residues pruned to eliminate duplicates Z: 12 10.049 2.084 0.708 0.338 0.727 0.545 CB 1.396 12 residues pruned to eliminate duplicates Z: 27 41.584 2.287 0.970 0.681 0.846 0.808 C 1.812 27 residues pruned to eliminate duplicates Z: 16 30.924 2.077 0.907 0.893 1.000 0.800 CB 1.447 16 residues pruned to eliminate duplicates Z: 63 59.869 2.244 0.851 0.712 0.919 0.661 CB 1.642 63 residues pruned to eliminate duplicates Z: 12 33.871 2.205 0.815 0.906 1.000 0.909 C 1.815 12 residues pruned to eliminate duplicates Z: 11 13.283 1.873 0.747 0.424 1.000 0.700 C 1.389 11 residues pruned to eliminate duplicates Z: 36 58.260 2.523 0.736 0.672 0.971 0.800 CB 1.974 36 residues pruned to eliminate duplicates Z: 19 43.285 2.240 1.308 0.855 0.889 0.667 CB 1.638 19 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 42.125 2.419 1.030 0.514 0.900 0.633 CB 1.716 31 residues pruned to eliminate duplicates Z: 32 41.719 2.272 1.056 0.515 0.903 0.581 CB 1.748 43 residues pruned to eliminate duplicates Z: 12 14.192 2.216 1.182 0.285 0.818 0.545 CB 1.378 Z: 9 20.861 2.583 1.462 0.494 0.750 0.500 CB 1.556 12 residues pruned to eliminate duplicates Z: 6 9.194 1.977 1.302 0.297 0.800 0.600 C 1.417 6 residues pruned to eliminate duplicates Z: 52 67.210 2.356 0.823 0.696 0.980 0.765 CB 1.870 52 residues pruned to eliminate duplicates Z: 19 28.254 1.965 0.782 0.834 0.944 0.667 CA 1.509 19 residues pruned to eliminate duplicates Z: 18 37.783 2.196 0.854 0.826 1.000 0.765 CA 1.697 19 residues pruned to eliminate duplicates Z: 18 31.994 2.140 0.990 0.785 0.882 0.706 CA 1.607 18 residues pruned to eliminate duplicates Z: 53 64.255 2.340 0.804 0.696 0.942 0.692 CB 1.872 53 residues pruned to eliminate duplicates Z: 18 33.688 2.213 0.741 0.828 0.941 0.765 CA 1.697 18 residues pruned to eliminate duplicates Z: 55 64.291 2.322 0.778 0.688 0.963 0.741 CB 1.853 55 residues pruned to eliminate duplicates Z: 55 65.685 2.388 0.873 0.688 0.926 0.685 CB 1.816 55 residues pruned to eliminate duplicates Z: 53 65.762 2.371 0.823 0.672 0.962 0.692 CB 1.873 53 residues pruned to eliminate duplicates Z: 53 68.094 2.385 0.795 0.696 0.962 0.788 CB 1.919 53 residues pruned to eliminate duplicates Z: 52 63.137 2.331 0.783 0.701 0.941 0.804 CA 1.883 52 residues pruned to eliminate duplicates Z: 52 64.001 2.344 0.788 0.704 0.961 0.784 CB 1.848 52 residues pruned to eliminate duplicates Z: 52 62.418 2.375 0.715 0.679 0.980 0.647 CB 1.857 52 residues pruned to eliminate duplicates Z: 25 33.877 2.171 0.734 0.659 0.958 0.750 CB 1.653 25 residues pruned to eliminate duplicates Z: 56 62.417 2.321 0.784 0.693 0.964 0.727 CB 1.767 56 residues pruned to eliminate duplicates Z: 53 64.325 2.397 0.746 0.688 0.962 0.788 CB 1.866 53 residues pruned to eliminate duplicates Z: 51 65.182 2.369 0.803 0.714 0.960 0.720 CB 1.852 51 residues pruned to eliminate duplicates Z: 63 61.584 2.366 0.756 0.655 0.919 0.710 CB 1.773 63 residues pruned to eliminate duplicates Z: 54 61.449 2.391 0.816 0.674 0.925 0.736 CB 1.791 54 residues pruned to eliminate duplicates Z: 55 62.063 2.338 0.889 0.667 0.907 0.704 CB 1.805 55 residues pruned to eliminate duplicates Z: 51 68.426 2.424 0.865 0.704 0.940 0.720 CB 1.892 51 residues pruned to eliminate duplicates Z: 53 64.116 2.349 0.838 0.696 0.942 0.808 CB 1.827 53 residues pruned to eliminate duplicates Z: 50 67.154 2.421 0.732 0.711 0.980 0.755 CB 1.927 50 residues pruned to eliminate duplicates Z: 52 66.157 2.352 0.791 0.721 0.980 0.765 CB 1.837 52 residues pruned to eliminate duplicates Z: 51 69.300 2.380 0.875 0.708 0.960 0.720 CB 1.894 51 residues pruned to eliminate duplicates Z: 51 67.698 2.378 0.811 0.712 0.980 0.760 CB 1.870 51 residues pruned to eliminate duplicates Z: 54 60.065 2.348 0.789 0.657 0.943 0.736 CB 1.800 54 residues pruned to eliminate duplicates Z: 64 64.496 2.352 0.911 0.627 0.905 0.683 CB 1.773 64 residues pruned to eliminate duplicates Z: 55 65.840 2.347 0.842 0.673 0.944 0.685 CB 1.871 55 residues pruned to eliminate duplicates Z: 54 62.765 2.365 0.773 0.702 0.943 0.774 CB 1.813 54 residues pruned to eliminate duplicates Z: 52 69.421 2.381 0.898 0.704 0.941 0.745 CB 1.899 52 residues pruned to eliminate duplicates Z: 51 66.016 2.391 0.754 0.718 0.960 0.800 CA 1.904 51 residues pruned to eliminate duplicates Z: 52 64.769 2.374 0.832 0.702 0.941 0.686 CB 1.844 52 residues pruned to eliminate duplicates Z: 14 34.806 2.305 0.914 0.829 0.923 0.692 CB 1.783 14 residues pruned to eliminate duplicates Z: 52 64.836 2.309 0.798 0.741 0.980 0.765 CB 1.797 52 residues pruned to eliminate duplicates Z: 52 65.151 2.355 0.911 0.682 0.941 0.588 CB 1.822 52 residues pruned to eliminate duplicates Z: 17 26.536 2.242 0.666 0.638 0.938 0.688 CA 1.664 17 residues pruned to eliminate duplicates Z: 56 60.665 2.291 0.806 0.650 0.945 0.655 CB 1.818 56 residues pruned to eliminate duplicates Z: 51 74.878 2.418 0.892 0.722 0.980 0.680 CB 1.932 51 residues pruned to eliminate duplicates Z: 35 53.036 2.351 0.941 0.649 0.912 0.676 CA 1.903 35 residues pruned to eliminate duplicates Z: 31 62.978 2.494 0.938 0.723 0.967 0.733 CB 2.012 31 residues pruned to eliminate duplicates Z: 52 68.550 2.359 0.867 0.705 0.961 0.745 CB 1.883 52 residues pruned to eliminate duplicates Z: 56 60.157 2.331 0.817 0.663 0.909 0.727 CB 1.812 56 residues pruned to eliminate duplicates Z: 70 79.786 2.398 0.909 0.670 0.928 0.681 CB 1.932 70 residues pruned to eliminate duplicates Z: 53 69.864 2.361 0.962 0.696 0.942 0.750 CB 1.857 53 residues pruned to eliminate duplicates Z: 52 66.907 2.379 0.901 0.707 0.941 0.745 CB 1.824 52 residues pruned to eliminate duplicates Z: 51 71.886 2.387 0.931 0.707 0.960 0.660 CA 1.904 51 residues pruned to eliminate duplicates Z: 53 72.504 2.357 1.010 0.681 0.962 0.673 CB 1.869 53 residues pruned to eliminate duplicates Z: 35 52.791 2.371 0.970 0.638 0.941 0.676 CB 1.810 35 residues pruned to eliminate duplicates Z: 55 67.645 2.305 1.008 0.652 0.944 0.704 CB 1.828 55 residues pruned to eliminate duplicates Z: 65 62.328 2.284 0.868 0.644 0.922 0.672 CB 1.731 65 residues pruned to eliminate duplicates Z: 64 64.657 2.318 0.869 0.650 0.905 0.667 CB 1.806 64 residues pruned to eliminate duplicates Z: 65 63.072 2.287 0.907 0.634 0.906 0.625 CB 1.759 65 residues pruned to eliminate duplicates Z: 83 80.042 2.381 0.934 0.637 0.915 0.732 CB 1.847 83 residues pruned to eliminate duplicates Z: 6 2.616 1.657 0.055 0.494 0.800 0.600 CB 0.842 6 residues pruned to eliminate duplicates Z: 9 17.272 2.290 0.753 0.436 0.875 0.625 C 1.857 9 residues pruned to eliminate duplicates Z: 11 10.481 2.051 0.580 0.436 0.800 0.600 CB 1.365 11 residues pruned to eliminate duplicates Z: 82 80.124 2.364 0.874 0.675 0.938 0.716 CB 1.824 82 residues pruned to eliminate duplicates Z: 46 54.892 2.385 0.926 0.593 0.911 0.689 CB 1.788 46 residues pruned to eliminate duplicates Z: 11 15.829 2.235 1.158 0.461 0.800 0.500 CB 1.350 11 residues pruned to eliminate duplicates Z: 49 54.763 2.395 0.896 0.588 0.917 0.646 CB 1.745 49 residues pruned to eliminate duplicates Z: 12 10.509 2.213 0.800 0.303 0.727 0.455 CB 1.363 12 residues pruned to eliminate duplicates Z: 29 41.532 2.488 0.785 0.543 0.857 0.679 CB 1.976 29 residues pruned to eliminate duplicates Z: 28 43.694 2.507 0.846 0.551 0.889 0.667 CB 1.945 28 residues pruned to eliminate duplicates Z: 30 44.504 2.522 0.749 0.545 0.897 0.724 CB 1.999 30 residues pruned to eliminate duplicates Z: 18 51.915 2.626 0.870 0.686 1.000 0.824 CB 2.161 18 residues pruned to eliminate duplicates Z: 20 43.935 2.558 0.844 0.621 0.947 0.789 CB 2.012 20 residues pruned to eliminate duplicates Z: 92 69.888 2.412 0.886 0.528 0.890 0.615 CB 1.760 155 residues pruned to eliminate duplicates Z: 19 49.417 2.562 1.032 0.653 0.889 0.667 C 2.183 19 residues pruned to eliminate duplicates Z: 40 55.496 2.529 0.987 0.450 0.897 0.590 C 2.075 40 residues pruned to eliminate duplicates Z: 20 41.397 2.529 0.896 0.551 0.895 0.632 CA 2.106 20 residues pruned to eliminate duplicates Z: 19 54.703 2.614 1.104 0.663 0.944 0.722 C 2.135 19 residues pruned to eliminate duplicates Z: 19 52.799 2.600 0.984 0.679 0.944 0.722 C 2.166 19 residues pruned to eliminate duplicates Z: 21 38.244 2.476 0.906 0.550 0.900 0.650 C 1.918 21 residues pruned to eliminate duplicates Z: 28 45.511 2.484 1.032 0.532 0.852 0.481 CB 1.973 28 residues pruned to eliminate duplicates Z: 29 37.663 2.482 0.762 0.517 0.821 0.643 CB 1.949 29 residues pruned to eliminate duplicates Z: 21 44.016 2.633 0.846 0.558 0.900 0.700 C 2.127 21 residues pruned to eliminate duplicates Z: 32 48.497 2.633 0.866 0.502 0.903 0.581 CB 1.960 32 residues pruned to eliminate duplicates Z: 38 47.396 2.522 0.798 0.500 0.919 0.541 CB 1.870 38 residues pruned to eliminate duplicates Z: 33 42.558 2.539 0.669 0.530 0.938 0.625 CB 1.839 33 residues pruned to eliminate duplicates Z: 32 45.590 2.592 0.814 0.533 0.839 0.516 CB 2.011 32 residues pruned to eliminate duplicates Z: 35 39.695 2.512 0.649 0.533 0.824 0.647 CB 1.931 35 residues pruned to eliminate duplicates Z: 71 47.864 2.514 0.678 0.438 0.800 0.486 CB 1.808 71 residues pruned to eliminate duplicates Z: 39 43.525 2.541 0.746 0.490 0.816 0.658 CB 1.970 39 residues pruned to eliminate duplicates Z: 32 50.768 2.639 0.863 0.528 0.903 0.516 CB 1.997 32 residues pruned to eliminate duplicates Z: 45 42.785 2.504 0.868 0.478 0.818 0.659 CB 1.723 45 residues pruned to eliminate duplicates Z: 19 22.438 2.493 0.665 0.396 0.833 0.556 CB 1.707 Z: 6 14.997 2.022 1.017 0.465 1.000 1.000 C 1.704 6 residues pruned to eliminate duplicates Z: 64 49.716 2.411 0.775 0.498 0.857 0.603 CB 1.711 20 residues pruned to eliminate duplicates Z: 6 5.917 1.863 0.304 0.189 1.000 0.600 CB 1.579 6 residues pruned to eliminate duplicates Z: 35 48.451 2.463 0.862 0.523 0.941 0.559 CB 1.883 98 residues pruned to eliminate duplicates Z: 22 21.981 2.302 0.507 0.430 0.905 0.667 CB 1.645 Z: 6 5.152 1.707 0.445 0.298 1.000 0.400 C 1.171 6 residues pruned to eliminate duplicates Z: 61 59.064 2.520 0.851 0.499 0.883 0.617 CB 1.853 61 residues pruned to eliminate duplicates Z: 31 32.344 2.400 0.758 0.447 0.833 0.467 CB 1.773 8 residues pruned to eliminate duplicates Z: 6 6.896 1.871 0.761 0.228 0.800 0.600 CA 1.607 6 residues pruned to eliminate duplicates Z: 17 15.157 2.172 0.761 0.376 0.750 0.375 CB 1.508 17 residues pruned to eliminate duplicates Z: 84 69.730 2.458 0.858 0.504 0.892 0.530 CB 1.873 129 residues pruned to eliminate duplicates Z: 84 67.228 2.445 0.765 0.525 0.892 0.639 CB 1.872 84 residues pruned to eliminate duplicates Z: 29 31.502 2.377 0.769 0.456 0.893 0.536 CB 1.659 Z: 7 5.295 1.888 0.621 0.467 0.500 0.333 CA 1.462 7 residues pruned to eliminate duplicates Z: 28 32.990 2.344 0.979 0.471 0.852 0.481 CB 1.655 30 residues pruned to eliminate duplicates Z: 6 4.308 1.888 0.589 0.246 0.600 0.600 N 1.435 6 residues pruned to eliminate duplicates Z: 17 22.974 2.429 1.015 0.308 0.812 0.562 CB 1.788 17 residues pruned to eliminate duplicates Z: 6 12.141 2.033 1.251 0.394 1.000 0.400 CA 1.327 6 residues pruned to eliminate duplicates Z: 15 17.246 2.060 0.726 0.398 0.857 0.500 CB 1.685 13 residues pruned to eliminate duplicates Z: 6 10.587 1.816 1.004 0.433 1.000 0.800 CA 1.395 6 residues pruned to eliminate duplicates Z: 70 49.099 2.442 0.709 0.418 0.855 0.580 CB 1.805 99 residues pruned to eliminate duplicates Z: 64 53.729 2.506 0.897 0.395 0.841 0.476 CB 1.891 64 residues pruned to eliminate duplicates Z: 52 56.286 2.373 0.825 0.557 0.941 0.667 CB 1.829 Z: 6 4.636 1.880 0.323 0.264 0.800 0.200 CB 1.364 6 residues pruned to eliminate duplicates Z: 65 56.199 2.374 0.791 0.553 0.922 0.609 CB 1.703 52 residues pruned to eliminate duplicates Z: 6 6.035 1.861 0.418 0.385 0.800 0.600 C 1.444 6 residues pruned to eliminate duplicates Z: 84 69.082 2.466 0.823 0.531 0.904 0.614 CB 1.809 84 residues pruned to eliminate duplicates Z: 35 45.500 2.371 0.781 0.597 0.941 0.794 CB 1.790 35 residues pruned to eliminate duplicates Z: 23 40.148 2.255 0.741 0.727 1.000 0.864 CB 1.777 23 residues pruned to eliminate duplicates Z: 21 40.260 2.337 0.765 0.704 1.000 0.950 CB 1.813 21 residues pruned to eliminate duplicates Z: 35 39.805 2.433 0.818 0.408 0.941 0.647 CB 1.807 35 residues pruned to eliminate duplicates Z: 64 65.525 2.498 0.727 0.624 0.937 0.746 CB 1.817 64 residues pruned to eliminate duplicates Z: 91 74.209 2.461 0.789 0.548 0.911 0.644 CB 1.861 156 residues pruned to eliminate duplicates Z: 19 25.480 2.175 0.623 0.743 0.889 0.722 CB 1.539 34 residues pruned to eliminate duplicates Z: 38 65.438 2.496 1.020 0.701 0.973 0.730 CB 1.826 38 residues pruned to eliminate duplicates Z: 54 69.393 2.518 0.764 0.678 0.943 0.717 CB 1.931 54 residues pruned to eliminate duplicates Z: 54 72.165 2.522 0.757 0.691 0.981 0.774 CB 1.914 54 residues pruned to eliminate duplicates Z: 127 88.435 2.422 0.891 0.529 0.937 0.635 CB 1.784 127 residues pruned to eliminate duplicates Z: 62 68.680 2.510 0.735 0.627 0.951 0.754 CB 1.885 62 residues pruned to eliminate duplicates Z: 54 68.387 2.522 0.739 0.678 0.962 0.717 CB 1.889 54 residues pruned to eliminate duplicates Z: 64 67.943 2.495 0.749 0.613 0.952 0.730 CB 1.851 64 residues pruned to eliminate duplicates Z: 67 77.334 2.493 0.781 0.706 0.939 0.773 CB 1.893 67 residues pruned to eliminate duplicates Z: 53 76.343 2.561 0.829 0.698 0.962 0.788 CB 1.963 53 residues pruned to eliminate duplicates Z: 57 55.623 2.430 0.848 0.504 0.929 0.589 CB 1.776 57 residues pruned to eliminate duplicates Z: 61 62.499 2.410 0.796 0.639 0.933 0.700 CB 1.754 61 residues pruned to eliminate duplicates Z: 55 67.370 2.486 0.735 0.695 0.963 0.759 CB 1.847 55 residues pruned to eliminate duplicates Z: 56 73.385 2.497 0.854 0.682 0.964 0.782 CB 1.876 56 residues pruned to eliminate duplicates Z: 54 64.702 2.525 0.699 0.689 0.962 0.755 CB 1.810 54 residues pruned to eliminate duplicates Z: 34 40.191 2.299 0.755 0.511 0.970 0.606 CB 1.770 34 residues pruned to eliminate duplicates Z: 61 72.376 2.503 0.792 0.630 0.967 0.767 CB 1.907 61 residues pruned to eliminate duplicates Z: 64 69.212 2.490 0.790 0.613 0.952 0.698 CB 1.846 64 residues pruned to eliminate duplicates Z: 55 70.652 2.515 0.814 0.664 0.963 0.759 CB 1.881 55 residues pruned to eliminate duplicates Z: 40 45.695 2.438 0.800 0.584 0.846 0.718 CB 1.818 40 residues pruned to eliminate duplicates Z: 55 73.632 2.509 0.951 0.680 0.907 0.741 CB 1.911 55 residues pruned to eliminate duplicates Z: 64 69.997 2.481 0.783 0.621 0.968 0.683 CB 1.836 64 residues pruned to eliminate duplicates Z: 66 64.057 2.406 0.722 0.601 0.954 0.723 CB 1.827 66 residues pruned to eliminate duplicates Z: 69 73.930 2.450 0.787 0.659 0.941 0.750 CB 1.877 69 residues pruned to eliminate duplicates Z: 78 77.067 2.477 0.759 0.636 0.935 0.688 CB 1.898 78 residues pruned to eliminate duplicates Z: 89 75.182 2.445 0.828 0.576 0.943 0.659 CB 1.767 89 residues pruned to eliminate duplicates Z: 106 76.180 2.455 0.751 0.535 0.943 0.638 CB 1.772 106 residues pruned to eliminate duplicates Z: 106 80.789 2.490 0.808 0.535 0.943 0.619 CB 1.795 106 residues pruned to eliminate duplicates Z: 32 64.154 2.521 0.930 0.739 1.000 0.839 CB 1.911 32 residues pruned to eliminate duplicates Z: 63 76.975 2.493 0.941 0.632 0.952 0.661 CB 1.875 63 residues pruned to eliminate duplicates Z: 30 60.916 2.448 0.895 0.794 1.000 0.828 CB 1.884 30 residues pruned to eliminate duplicates Z: 54 74.323 2.553 0.910 0.694 0.925 0.717 CB 1.897 54 residues pruned to eliminate duplicates Z: 53 74.716 2.488 1.013 0.653 0.962 0.692 CB 1.866 53 residues pruned to eliminate duplicates Z: 53 75.376 2.543 0.854 0.705 0.962 0.712 CB 1.913 53 residues pruned to eliminate duplicates Z: 54 77.406 2.500 0.897 0.694 0.981 0.698 CB 1.915 54 residues pruned to eliminate duplicates Z: 55 77.100 2.485 0.932 0.685 0.963 0.685 CB 1.915 55 residues pruned to eliminate duplicates Z: 54 76.035 2.544 0.934 0.670 0.962 0.698 CB 1.885 54 residues pruned to eliminate duplicates Z: 55 66.534 2.428 0.941 0.629 0.944 0.648 CB 1.802 55 residues pruned to eliminate duplicates Z: 38 71.192 2.611 1.013 0.642 0.946 0.757 CB 2.062 38 residues pruned to eliminate duplicates Z: 57 71.702 2.454 0.910 0.650 0.946 0.661 CB 1.878 57 residues pruned to eliminate duplicates Z: 16 33.991 2.539 0.551 0.729 0.933 0.800 C 1.942 16 residues pruned to eliminate duplicates Z: 19 31.735 2.349 0.739 0.583 0.889 0.667 CB 1.902 19 residues pruned to eliminate duplicates Z: 32 52.594 2.372 0.900 0.657 0.935 0.742 CB 1.937 32 residues pruned to eliminate duplicates Z: 39 45.599 2.360 0.959 0.575 0.842 0.684 CB 1.768 39 residues pruned to eliminate duplicates Z: 54 72.533 2.495 0.990 0.648 0.925 0.547 CB 1.891 54 residues pruned to eliminate duplicates Z: 94 74.959 2.444 0.829 0.549 0.946 0.667 CB 1.752 94 residues pruned to eliminate duplicates Z: 53 75.370 2.539 0.990 0.676 0.923 0.654 CB 1.906 53 residues pruned to eliminate duplicates Z: 57 75.876 2.471 0.966 0.677 0.964 0.714 CB 1.840 57 residues pruned to eliminate duplicates Z: 54 78.537 2.539 0.966 0.677 0.962 0.736 CB 1.908 54 residues pruned to eliminate duplicates Z: 54 80.254 2.524 0.979 0.679 0.981 0.717 CB 1.907 54 residues pruned to eliminate duplicates Z: 55 72.822 2.512 0.930 0.676 0.926 0.759 CB 1.877 55 residues pruned to eliminate duplicates Z: 58 67.636 2.397 0.852 0.657 0.947 0.684 CB 1.841 58 residues pruned to eliminate duplicates Z: 68 82.721 2.481 0.927 0.667 0.940 0.687 CB 1.927 68 residues pruned to eliminate duplicates Z: 106 78.197 2.417 0.798 0.598 0.905 0.686 CB 1.768 106 residues pruned to eliminate duplicates Z: 14 34.913 2.368 0.913 0.762 0.846 0.692 C 2.001 14 residues pruned to eliminate duplicates Z: 18 49.855 2.520 1.295 0.623 0.941 0.765 CA 1.978 18 residues pruned to eliminate duplicates Z: 38 36.659 2.403 0.714 0.475 0.838 0.541 CB 1.792 38 residues pruned to eliminate duplicates Z: 18 50.685 2.541 1.086 0.670 0.941 0.765 CB 2.107 18 residues pruned to eliminate duplicates Z: 21 46.117 2.427 0.991 0.620 0.950 0.700 CB 2.006 21 residues pruned to eliminate duplicates Z: 17 59.033 2.570 1.205 0.721 1.000 0.688 CA 2.133 17 residues pruned to eliminate duplicates Z: 41 38.506 2.383 0.782 0.468 0.850 0.575 CB 1.742 41 residues pruned to eliminate duplicates Z: 26 44.506 2.341 1.087 0.574 0.920 0.600 CB 1.845 26 residues pruned to eliminate duplicates Z: 19 42.933 2.418 0.822 0.684 0.944 0.778 CA 2.054 19 residues pruned to eliminate duplicates Z: 6 3.527 1.673 0.543 0.124 0.800 0.000 C 1.225 6 residues pruned to eliminate duplicates Z: 31 42.246 2.458 0.792 0.554 0.867 0.600 CB 1.917 31 residues pruned to eliminate duplicates Z: 31 42.695 2.465 0.760 0.560 0.867 0.600 CB 1.956 31 residues pruned to eliminate duplicates Z: 31 40.844 2.426 0.753 0.544 0.900 0.733 CB 1.867 31 residues pruned to eliminate duplicates Z: 18 10.565 2.017 0.442 0.306 0.765 0.412 CB 1.429 18 residues pruned to eliminate duplicates Z: 26 21.650 2.208 0.792 0.398 0.800 0.440 CB 1.524 26 residues pruned to eliminate duplicates Z: 15 11.426 2.146 0.401 0.335 0.786 0.571 CB 1.548 15 residues pruned to eliminate duplicates Z: 32 41.730 2.450 0.677 0.555 0.935 0.677 CB 1.847 32 residues pruned to eliminate duplicates Z: 40 32.605 2.239 0.787 0.430 0.897 0.564 CB 1.563 39 residues pruned to eliminate duplicates Z: 7 8.169 1.747 0.674 0.466 1.000 0.667 CA 1.181 7 residues pruned to eliminate duplicates Z: 11 16.026 2.211 0.579 0.387 0.900 0.500 CA 1.819 11 residues pruned to eliminate duplicates Z: 15 12.983 2.242 0.444 0.320 0.786 0.357 CB 1.664 15 residues pruned to eliminate duplicates Z: 9 9.242 2.080 0.559 0.274 0.750 0.375 CA 1.735 9 residues pruned to eliminate duplicates Z: 9 9.554 2.110 0.523 0.313 0.750 0.500 CA 1.724 9 residues pruned to eliminate duplicates Z: 24 23.677 2.119 0.690 0.412 0.870 0.435 CB 1.738 24 residues pruned to eliminate duplicates Z: 44 45.683 2.226 0.848 0.540 0.907 0.558 CB 1.796 44 residues pruned to eliminate duplicates Z: 16 16.058 1.942 0.649 0.377 0.933 0.467 CA 1.583 16 residues pruned to eliminate duplicates Z: 18 24.478 2.084 0.906 0.474 0.941 0.412 CB 1.629 18 residues pruned to eliminate duplicates Z: 52 42.891 2.340 0.697 0.447 0.941 0.529 CB 1.697 52 residues pruned to eliminate duplicates Z: 24 26.537 2.191 0.958 0.424 0.913 0.522 CB 1.529 24 residues pruned to eliminate duplicates Z: 19 20.799 1.976 0.890 0.420 0.944 0.333 CB 1.511 19 residues pruned to eliminate duplicates Z: 21 15.769 2.042 0.480 0.359 0.800 0.450 CB 1.697 21 residues pruned to eliminate duplicates Z: 15 25.357 2.250 0.950 0.420 1.000 0.571 CB 1.679 15 residues pruned to eliminate duplicates Z: 23 29.219 2.167 0.903 0.489 0.909 0.682 CB 1.679 23 residues pruned to eliminate duplicates Z: 41 32.432 2.199 0.799 0.422 0.850 0.550 CB 1.654 41 residues pruned to eliminate duplicates Z: 17 14.250 1.925 0.897 0.440 0.875 0.500 CB 1.186 17 residues pruned to eliminate duplicates Z: 8 7.680 1.813 1.106 0.336 0.714 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 38 24.393 2.162 0.745 0.402 0.811 0.595 CB 1.454 38 residues pruned to eliminate duplicates Z: 15 13.906 1.907 0.664 0.398 0.929 0.429 CB 1.404 15 residues pruned to eliminate duplicates Z: 29 24.122 1.986 0.652 0.520 0.893 0.500 CB 1.526 29 residues pruned to eliminate duplicates Z: 36 51.475 2.313 0.805 0.612 0.971 0.743 C 1.930 43 residues pruned to eliminate duplicates Z: 6 5.414 1.489 0.690 0.421 1.000 0.600 C 1.044 6 residues pruned to eliminate duplicates Z: 31 52.119 2.375 0.807 0.652 0.967 0.800 CA 1.990 31 residues pruned to eliminate duplicates Z: 42 44.758 2.326 0.753 0.504 0.902 0.780 CA 1.892 42 residues pruned to eliminate duplicates Z: 30 50.696 2.394 0.815 0.647 1.000 0.828 CA 1.890 30 residues pruned to eliminate duplicates Z: 29 53.870 2.426 0.859 0.676 0.964 0.679 CB 1.991 29 residues pruned to eliminate duplicates Z: 30 53.392 2.384 0.899 0.638 0.966 0.793 CA 1.993 30 residues pruned to eliminate duplicates Z: 31 51.151 2.331 0.906 0.654 0.967 0.767 CA 1.884 31 residues pruned to eliminate duplicates Z: 31 48.730 2.348 0.840 0.628 0.967 0.767 CA 1.889 31 residues pruned to eliminate duplicates Z: 43 42.758 2.245 0.769 0.522 0.881 0.619 CA 1.846 43 residues pruned to eliminate duplicates Z: 30 51.168 2.350 0.931 0.645 0.931 0.759 C 1.964 30 residues pruned to eliminate duplicates Z: 33 47.365 2.259 0.842 0.615 0.938 0.719 CB 1.926 33 residues pruned to eliminate duplicates Z: 36 46.663 2.317 0.742 0.603 0.914 0.686 CB 1.937 36 residues pruned to eliminate duplicates Z: 30 48.151 2.374 0.819 0.655 0.931 0.828 CB 1.925 29 residues pruned to eliminate duplicates Z: 19 51.624 2.408 1.004 0.903 0.944 0.889 CA 1.903 19 residues pruned to eliminate duplicates Z: 32 48.138 2.276 0.802 0.650 1.000 0.839 CB 1.833 31 residues pruned to eliminate duplicates Z: 17 53.812 2.480 1.132 0.937 0.938 0.812 CA 1.889 17 residues pruned to eliminate duplicates Z: 29 56.775 2.454 0.899 0.673 0.964 0.821 CA 2.036 31 residues pruned to eliminate duplicates Z: 18 53.499 2.389 1.016 0.930 1.000 0.824 CB 1.885 18 residues pruned to eliminate duplicates Z: 30 52.549 2.383 0.952 0.652 0.931 0.759 CB 1.955 30 residues pruned to eliminate duplicates Z: 29 51.514 2.446 0.822 0.627 1.000 0.750 CA 1.938 29 residues pruned to eliminate duplicates Z: 32 50.809 2.381 0.863 0.633 0.903 0.742 C 2.010 32 residues pruned to eliminate duplicates Z: 30 45.171 2.370 0.596 0.671 0.966 0.724 CA 1.961 30 residues pruned to eliminate duplicates Z: 9 18.193 2.238 0.719 0.536 0.875 0.750 CA 1.843 9 residues pruned to eliminate duplicates Z: 6 7.643 1.751 0.528 0.422 1.000 0.800 C 1.385 5 residues pruned to eliminate duplicates 212 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 198 CC for partial structure against native data = 25.97 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.420, Connect. = 0.762 for dens.mod. cycle 1 = 0.306, Contrast = 0.482, Connect. = 0.787 for dens.mod. cycle 2 = 0.306, Contrast = 0.574, Connect. = 0.824 for dens.mod. cycle 3 = 0.306, Contrast = 0.580, Connect. = 0.829 for dens.mod. cycle 4 = 0.306, Contrast = 0.592, Connect. = 0.834 for dens.mod. cycle 5 = 0.306, Contrast = 0.598, Connect. = 0.838 for dens.mod. cycle 6 = 0.306, Contrast = 0.605, Connect. = 0.841 for dens.mod. cycle 7 = 0.306, Contrast = 0.609, Connect. = 0.843 for dens.mod. cycle 8 = 0.306, Contrast = 0.614, Connect. = 0.845 for dens.mod. cycle 9 = 0.306, Contrast = 0.617, Connect. = 0.846 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 2.83 - 2.25 - 1.96 - 1.78 - 1.65 - 1.55 - 1.47 - 1.41 - 1.35 - 1.30 0.711 0.760 0.762 0.747 0.751 0.760 0.723 0.674 0.598 0.565 0.897 0.929 0.928 0.914 0.913 0.908 0.876 0.814 0.736 0.703 N 7015 6898 7153 6980 7084 7129 7178 6510 7636 5854 Estimated mean FOM = 0.707 Pseudo-free CC = 71.08 % Best trace (cycle 2 with CC 37.77%) was saved as ./2prv-1.3-parrot-noncs/2prv-1.3-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 5.9 - FFTs and peak-searches 32.2 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 2654.9 - Tripeptide search 6290.3 - Chain tracing 0.0 - NCS analysis 26.9 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:47:43 Total time: 9011.81 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 150.92 Used memory is bytes: 7307432