++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:36:00 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: ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.ins Phases from ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.phi Native data from ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.hkl Listing output to ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.lst Phases output to ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.phs Poly-Ala trace output to ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 23367 Reflections read from file ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.phi 23367 Reflections read from file ./2itb-2.0-parrot-noncs/2itb-2.0-parrot-noncs.hkl 23367 Unique data, highest resolution = 2.050 Angstroms Anisotropic scaling: intensities multiplied by 0.000284h^2 +0.000070k^2 -0.000147l^2 +0.000000kl +0.000000hl +0.000000hk 15 Reflections with d > 2.250 and 0 in range 2.250 > d > 2.050 added Density sharpening factor set to 0.67 Fourier grid = 128 x 128 x 32 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.698 = 0.269, Contrast = 0.076, Connect. = 0.547 for dens.mod. cycle 1 = 0.275, Contrast = 0.165, Connect. = 0.529 for dens.mod. cycle 2 = 0.280, Contrast = 0.264, Connect. = 0.605 for dens.mod. cycle 3 = 0.288, Contrast = 0.334, Connect. = 0.649 for dens.mod. cycle 4 = 0.293, Contrast = 0.382, Connect. = 0.674 for dens.mod. cycle 5 = 0.298, Contrast = 0.420, Connect. = 0.694 for dens.mod. cycle 6 = 0.300, Contrast = 0.450, Connect. = 0.709 for dens.mod. cycle 7 = 0.300, Contrast = 0.472, Connect. = 0.721 for dens.mod. cycle 8 = 0.300, Contrast = 0.490, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.500, Connect. = 0.738 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1798 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 399 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 29.232 1.962 0.868 0.955 1.000 1.000 CB 1.292 B: 17 22.759 1.883 0.596 0.919 1.000 0.812 CB 1.334 C: 19 29.415 1.939 0.911 0.940 1.000 0.944 CB 1.300 19 residues pruned to eliminate duplicates D: 19 17.517 1.750 0.461 0.945 1.000 0.889 CA 1.117 19 residues pruned to eliminate duplicates E: 23 28.409 1.808 0.941 0.934 1.000 0.727 CB 1.203 F: 18 8.801 1.686 0.345 0.915 0.941 0.824 CB 0.707 G: 11 13.272 1.745 0.565 0.859 1.000 0.800 CA 1.131 H: 10 11.743 1.878 0.173 0.899 1.000 0.889 CA 1.269 10 residues pruned to eliminate duplicates I: 14 15.249 1.748 0.670 0.922 1.000 0.923 CB 1.019 J: 20 23.445 1.893 0.692 0.920 1.000 1.000 CB 1.182 20 residues pruned to eliminate duplicates K: 22 22.761 1.807 0.491 0.932 1.000 0.905 CA 1.287 23 residues pruned to eliminate duplicates L: 18 29.828 1.872 0.987 0.928 0.941 0.647 CB 1.447 17 residues pruned to eliminate duplicates M: 21 30.430 1.917 0.995 0.947 1.000 0.650 CB 1.229 19 residues pruned to eliminate duplicates N: 19 17.351 1.764 0.460 0.904 1.000 0.778 CB 1.131 O: 25 38.551 1.802 1.193 0.949 1.000 0.458 CB 1.374 P: 21 20.727 1.763 0.745 0.865 0.900 0.700 CB 1.226 19 residues pruned to eliminate duplicates Q: 14 20.605 1.814 0.786 0.921 0.923 0.538 CA 1.345 13 residues pruned to eliminate duplicates R: 28 23.556 1.695 0.539 0.914 1.000 0.852 CA 1.230 26 residues pruned to eliminate duplicates S: 15 21.024 1.797 0.727 0.879 1.000 0.857 CB 1.313 15 residues pruned to eliminate duplicates T: 26 22.958 1.775 0.656 0.914 1.000 0.880 CA 1.104 11 residues pruned to eliminate duplicates U: 22 25.641 1.815 0.723 0.917 1.000 0.714 CB 1.264 22 residues pruned to eliminate duplicates V: 12 17.646 1.857 0.894 0.659 1.000 0.636 CA 1.306 9 residues pruned to eliminate duplicates W: 23 19.298 1.771 0.741 0.791 0.864 0.455 CB 1.196 23 residues pruned to eliminate duplicates X: 25 23.175 1.717 0.611 0.925 0.958 0.833 CA 1.252 23 residues pruned to eliminate duplicates Y: 22 21.925 1.841 0.633 0.883 0.952 0.905 CB 1.208 22 residues pruned to eliminate duplicates Z: 23 19.412 1.699 0.509 0.912 1.000 0.864 CA 1.143 23 residues pruned to eliminate duplicates Z: 28 26.079 1.652 0.691 0.919 1.000 0.593 CB 1.266 19 residues pruned to eliminate duplicates Z: 19 17.690 1.682 0.529 0.910 0.944 0.889 CA 1.218 19 residues pruned to eliminate duplicates Z: 20 25.182 1.854 0.859 0.946 1.000 0.947 CB 1.160 20 residues pruned to eliminate duplicates Z: 14 14.887 1.759 0.551 0.905 1.000 0.923 CB 1.077 14 residues pruned to eliminate duplicates Z: 26 32.087 1.787 0.885 0.898 0.960 0.680 CB 1.419 26 residues pruned to eliminate duplicates Z: 10 4.675 1.588 0.113 0.331 0.889 0.556 CB 1.193 Z: 9 4.719 1.623 0.526 0.409 0.750 0.500 CB 0.988 Z: 26 23.148 1.682 0.761 0.900 0.960 0.920 CB 1.163 25 residues pruned to eliminate duplicates Z: 16 9.817 1.573 0.556 0.880 0.867 0.733 CB 0.865 16 residues pruned to eliminate duplicates Z: 26 26.125 1.747 0.958 0.880 0.880 0.520 CB 1.257 28 residues pruned to eliminate duplicates Z: 22 20.601 1.783 0.931 0.910 1.000 0.667 CB 0.926 22 residues pruned to eliminate duplicates Z: 17 21.958 1.826 0.883 0.883 0.812 0.438 CA 1.421 17 residues pruned to eliminate duplicates Z: 27 25.803 1.736 0.569 0.918 1.000 0.846 CA 1.310 26 residues pruned to eliminate duplicates Z: 18 19.439 1.695 0.639 0.882 0.941 0.941 CA 1.305 18 residues pruned to eliminate duplicates Z: 19 25.285 1.953 0.729 0.937 1.000 0.944 CB 1.228 19 residues pruned to eliminate duplicates Z: 27 24.505 1.681 0.583 0.903 1.000 0.885 CA 1.287 27 residues pruned to eliminate duplicates Z: 30 28.528 1.773 0.909 0.882 1.000 0.621 CB 1.133 26 residues pruned to eliminate duplicates Z: 9 12.965 1.611 0.878 0.886 0.875 0.875 CB 1.249 Z: 28 15.440 1.712 0.514 0.926 0.926 0.741 CB 0.869 18 residues pruned to eliminate duplicates Z: 29 23.639 1.773 0.587 0.899 1.000 0.821 CB 1.134 29 residues pruned to eliminate duplicates Z: 10 10.234 1.574 0.843 0.831 0.889 0.444 CB 0.994 8 residues pruned to eliminate duplicates Z: 21 23.676 1.876 0.825 0.918 1.000 0.950 CB 1.091 21 residues pruned to eliminate duplicates Z: 29 23.522 1.709 0.637 0.906 1.000 0.607 CB 1.130 29 residues pruned to eliminate duplicates Z: 22 15.002 1.676 0.382 0.894 0.952 0.762 CB 1.064 20 residues pruned to eliminate duplicates Z: 9 10.477 1.704 0.837 0.785 0.875 0.625 CB 1.053 9 residues pruned to eliminate duplicates Z: 11 12.536 1.710 0.821 0.777 1.000 0.700 CB 0.997 10 residues pruned to eliminate duplicates Z: 16 14.140 1.616 0.557 0.912 0.933 0.600 CB 1.100 16 residues pruned to eliminate duplicates Z: 8 13.190 1.657 0.720 0.877 1.000 0.571 CB 1.270 8 residues pruned to eliminate duplicates Z: 20 25.534 1.933 0.687 0.949 1.000 0.895 CB 1.240 20 residues pruned to eliminate duplicates Z: 15 13.436 1.407 0.614 0.909 1.000 0.643 CB 1.122 Z: 12 10.838 1.635 0.508 0.898 0.909 0.727 CB 1.043 11 residues pruned to eliminate duplicates Z: 25 29.840 1.807 0.839 0.904 0.958 0.625 CB 1.362 25 residues pruned to eliminate duplicates Z: 29 31.110 1.793 1.003 0.917 1.000 0.571 CB 1.156 30 residues pruned to eliminate duplicates Z: 24 19.330 1.650 0.669 0.888 0.957 0.565 CB 1.102 24 residues pruned to eliminate duplicates Z: 26 23.343 1.678 0.783 0.866 0.960 0.720 CB 1.190 26 residues pruned to eliminate duplicates Z: 22 25.258 1.848 0.778 0.935 1.000 0.667 CB 1.169 22 residues pruned to eliminate duplicates Z: 8 4.486 1.781 0.043 0.315 1.000 0.571 CB 1.120 8 residues pruned to eliminate duplicates Z: 10 7.568 1.528 0.405 0.768 0.889 0.667 CB 1.042 10 residues pruned to eliminate duplicates Z: 19 19.282 1.901 0.391 0.903 1.000 0.889 CA 1.225 19 residues pruned to eliminate duplicates Z: 23 16.049 1.596 0.509 0.895 1.000 0.909 CA 1.019 13 residues pruned to eliminate duplicates Z: 26 20.572 1.573 0.927 0.933 0.960 0.360 CB 0.986 22 residues pruned to eliminate duplicates Z: 24 25.283 1.735 0.734 0.915 1.000 0.826 CB 1.239 24 residues pruned to eliminate duplicates Z: 20 26.878 1.899 0.876 0.918 1.000 0.895 CB 1.220 20 residues pruned to eliminate duplicates Z: 27 21.635 1.684 0.581 0.880 0.962 0.769 CB 1.201 27 residues pruned to eliminate duplicates Z: 29 13.161 1.627 0.527 0.907 1.000 0.786 CB 0.712 29 residues pruned to eliminate duplicates Z: 20 20.164 1.694 0.732 0.925 0.895 0.632 CB 1.237 20 residues pruned to eliminate duplicates Z: 19 26.520 1.963 0.678 0.952 1.000 0.944 CB 1.306 19 residues pruned to eliminate duplicates 7 1.911 1.217 0.371 0.544 0.667 0.500 CB 0.672 ? Z: 16 16.828 1.777 0.617 0.872 0.867 0.400 CB 1.273 16 residues pruned to eliminate duplicates Z: 27 28.255 1.790 0.634 0.905 1.000 0.885 CA 1.349 27 residues pruned to eliminate duplicates Z: 16 16.460 1.667 0.777 0.817 1.000 0.400 CB 1.089 15 residues pruned to eliminate duplicates Z: 22 26.429 1.853 0.775 0.900 1.000 0.810 CB 1.252 22 residues pruned to eliminate duplicates Z: 20 28.423 1.923 0.985 0.942 1.000 0.947 CB 1.185 20 residues pruned to eliminate duplicates Z: 12 10.999 1.726 0.714 0.699 1.000 0.545 CB 0.936 3 residues pruned to eliminate duplicates Z: 24 23.939 1.700 0.953 0.901 0.783 0.348 CB 1.371 24 residues pruned to eliminate duplicates Z: 21 20.475 1.840 0.481 0.921 1.000 0.950 CA 1.182 21 residues pruned to eliminate duplicates Z: 23 17.462 1.778 0.567 0.870 0.864 0.500 CB 1.129 23 residues pruned to eliminate duplicates Z: 11 8.657 1.648 0.422 0.882 1.000 0.900 CB 0.845 10 residues pruned to eliminate duplicates Z: 30 30.343 1.625 0.955 0.913 0.966 0.345 CB 1.300 29 residues pruned to eliminate duplicates Z: 9 3.609 1.294 0.531 0.416 0.875 0.375 CB 0.803 Z: 21 21.336 1.680 0.762 0.910 0.950 0.800 CA 1.203 21 residues pruned to eliminate duplicates Z: 14 16.278 1.780 0.482 0.879 1.000 0.769 CA 1.241 14 residues pruned to eliminate duplicates Z: 10 11.863 1.677 0.758 0.831 0.889 0.667 CB 1.133 10 residues pruned to eliminate duplicates Z: 19 21.430 1.812 0.720 0.855 0.833 0.667 CB 1.435 19 residues pruned to eliminate duplicates Z: 20 19.593 1.704 0.652 0.890 0.895 0.684 CB 1.284 20 residues pruned to eliminate duplicates Z: 15 16.458 1.753 0.888 0.880 1.000 0.571 CB 0.964 15 residues pruned to eliminate duplicates Z: 27 25.753 1.749 0.588 0.882 0.962 0.654 CB 1.368 27 residues pruned to eliminate duplicates Z: 15 9.987 1.447 0.592 0.849 0.929 0.571 CB 0.924 Z: 23 25.919 1.789 0.705 0.905 1.000 0.864 CB 1.290 23 residues pruned to eliminate duplicates Z: 26 26.844 1.716 0.781 0.893 1.000 0.800 CB 1.261 26 residues pruned to eliminate duplicates Z: 10 16.091 1.670 0.863 0.872 1.000 0.667 CB 1.257 16 residues pruned to eliminate duplicates Z: 27 30.014 1.805 0.901 0.913 1.000 0.615 CA 1.214 27 residues pruned to eliminate duplicates Z: 16 14.007 1.667 0.583 0.790 0.933 0.733 CB 1.138 16 residues pruned to eliminate duplicates Z: 13 13.180 1.472 0.685 0.897 1.000 0.500 CB 1.098 13 residues pruned to eliminate duplicates Z: 21 14.972 1.639 0.603 0.845 0.900 0.700 CB 1.053 21 residues pruned to eliminate duplicates Z: 11 9.614 1.665 0.373 0.860 0.800 0.500 CA 1.223 11 residues pruned to eliminate duplicates Z: 21 20.259 1.777 0.784 0.922 1.000 0.750 CA 1.005 21 residues pruned to eliminate duplicates Z: 22 27.313 1.858 0.680 0.937 1.000 0.667 CB 1.329 22 residues pruned to eliminate duplicates Z: 20 24.114 1.721 0.904 0.910 0.947 0.474 CB 1.264 20 residues pruned to eliminate duplicates Z: 11 13.263 1.704 0.614 0.876 0.900 0.900 CA 1.231 11 residues pruned to eliminate duplicates Z: 15 8.555 1.529 0.399 0.872 1.000 0.857 CB 0.779 15 residues pruned to eliminate duplicates Z: 25 25.621 1.692 0.794 0.898 0.958 0.625 CA 1.286 25 residues pruned to eliminate duplicates Z: 11 9.745 1.547 0.644 0.876 0.900 0.700 CB 0.979 11 residues pruned to eliminate duplicates Z: 7 3.864 1.417 0.304 0.393 0.833 0.667 CA 1.147 Z: 25 19.370 1.702 0.406 0.878 0.958 0.833 CA 1.251 25 residues pruned to eliminate duplicates Z: 6 5.772 1.563 0.825 0.704 0.600 0.600 C 1.253 Z: 20 26.125 1.825 0.945 0.878 0.947 0.526 CB 1.294 20 residues pruned to eliminate duplicates Z: 23 27.894 1.843 0.744 0.945 1.000 0.591 CB 1.281 23 residues pruned to eliminate duplicates Z: 16 15.753 1.548 0.823 0.928 0.933 0.400 CB 1.081 16 residues pruned to eliminate duplicates Z: 11 12.748 1.722 0.611 0.817 0.900 0.900 CA 1.226 11 residues pruned to eliminate duplicates Z: 22 30.349 1.878 0.867 0.942 1.000 0.762 CB 1.310 22 residues pruned to eliminate duplicates Z: 29 30.305 1.776 1.113 0.924 0.964 0.714 CB 1.111 29 residues pruned to eliminate duplicates Z: 19 27.836 1.803 0.879 0.939 0.944 0.556 CA 1.425 19 residues pruned to eliminate duplicates Z: 18 20.213 1.822 0.568 0.902 0.941 0.647 CB 1.301 18 residues pruned to eliminate duplicates Z: 23 18.214 1.685 0.464 0.877 0.955 0.455 CB 1.198 23 residues pruned to eliminate duplicates Z: 10 9.279 1.583 0.543 0.802 0.889 0.778 CA 1.094 10 residues pruned to eliminate duplicates Z: 7 5.637 1.716 -0.012 0.794 1.000 0.667 CB 1.049 7 residues pruned to eliminate duplicates Z: 20 24.036 1.767 0.731 0.912 1.000 0.947 CA 1.277 20 residues pruned to eliminate duplicates Z: 25 13.191 1.654 0.665 0.913 0.958 0.542 CB 0.722 25 residues pruned to eliminate duplicates Z: 29 22.441 1.754 0.555 0.905 1.000 0.857 CA 1.106 29 residues pruned to eliminate duplicates Z: 22 27.565 1.837 0.867 0.933 1.000 0.714 CB 1.224 22 residues pruned to eliminate duplicates Z: 20 27.430 1.743 0.887 0.942 0.947 0.684 CB 1.400 20 residues pruned to eliminate duplicates Z: 22 26.254 1.861 0.708 0.925 0.952 0.810 CB 1.328 22 residues pruned to eliminate duplicates Z: 21 16.835 1.619 0.399 0.924 1.000 0.850 CB 1.166 21 residues pruned to eliminate duplicates Z: 16 9.496 1.424 0.475 0.876 0.933 0.867 CB 0.909 16 residues pruned to eliminate duplicates Z: 14 9.966 1.436 0.421 0.884 1.000 0.923 CB 0.979 14 residues pruned to eliminate duplicates Z: 14 3.138 1.522 0.481 0.257 0.692 0.385 CB 0.737 14 residues pruned to eliminate duplicates Z: 15 12.865 1.421 0.717 0.867 1.000 0.786 CB 1.031 15 residues pruned to eliminate duplicates Z: 9 8.039 1.781 0.452 0.858 0.875 0.750 CB 0.925 9 residues pruned to eliminate duplicates Z: 28 26.188 1.708 0.746 0.886 0.963 0.704 CB 1.266 28 residues pruned to eliminate duplicates Z: 19 13.141 1.691 0.628 0.620 0.944 0.833 CB 1.063 13 residues pruned to eliminate duplicates Z: 29 26.893 1.793 0.960 0.919 1.000 0.750 CB 1.019 30 residues pruned to eliminate duplicates Z: 6 6.985 1.470 0.653 0.646 1.000 0.600 CB 1.122 9 residues pruned to eliminate duplicates Z: 27 21.986 1.741 0.962 0.703 1.000 0.769 CB 1.050 23 residues pruned to eliminate duplicates Z: 12 5.934 1.619 0.223 0.862 1.000 0.818 CB 0.663 12 residues pruned to eliminate duplicates Z: 8 3.571 1.458 0.350 0.403 0.714 0.429 N 1.063 Z: 28 23.003 1.758 0.619 0.900 0.963 0.667 CB 1.154 28 residues pruned to eliminate duplicates Z: 23 15.397 1.673 0.426 0.880 0.909 0.727 CB 1.097 23 residues pruned to eliminate duplicates Z: 21 12.271 1.769 0.420 0.841 0.850 0.600 CB 0.958 21 residues pruned to eliminate duplicates Z: 9 5.301 1.426 0.407 0.878 1.000 0.875 CB 0.678 Z: 23 16.108 1.684 0.518 0.801 0.864 0.636 CB 1.195 23 residues pruned to eliminate duplicates Z: 7 6.202 1.595 0.455 0.519 0.833 0.667 CB 1.285 7 residues pruned to eliminate duplicates Z: 21 19.439 1.642 0.814 0.907 0.950 0.650 CA 1.091 20 residues pruned to eliminate duplicates Z: 20 21.233 1.850 0.596 0.927 1.000 1.000 CA 1.156 20 residues pruned to eliminate duplicates Z: 27 27.716 1.743 0.700 0.884 0.962 0.808 CA 1.379 27 residues pruned to eliminate duplicates Z: 9 8.234 1.676 0.495 0.861 0.875 0.500 CB 0.976 9 residues pruned to eliminate duplicates Z: 10 10.437 1.686 0.660 0.832 0.889 0.778 CB 1.050 10 residues pruned to eliminate duplicates Z: 9 7.388 1.770 0.417 0.882 0.875 0.250 CB 0.861 9 residues pruned to eliminate duplicates Z: 19 16.201 1.692 0.576 0.927 1.000 0.833 CB 1.003 19 residues pruned to eliminate duplicates Z: 11 14.453 1.650 0.792 0.888 0.900 0.500 CB 1.237 11 residues pruned to eliminate duplicates Z: 8 4.229 1.494 0.482 0.884 0.714 0.429 CB 0.730 8 residues pruned to eliminate duplicates Z: 26 31.036 1.777 1.032 0.895 0.880 0.400 CB 1.401 26 residues pruned to eliminate duplicates Z: 9 5.183 1.533 0.465 0.430 1.000 0.625 CB 0.877 7 residues pruned to eliminate duplicates Z: 15 14.860 1.617 0.895 0.827 1.000 0.643 CB 0.977 15 residues pruned to eliminate duplicates Z: 15 11.567 1.372 0.759 0.908 0.929 0.857 CB 0.979 14 residues pruned to eliminate duplicates Z: 26 32.110 1.695 0.922 0.913 1.000 0.480 CA 1.395 26 residues pruned to eliminate duplicates Z: 20 12.156 1.646 0.619 0.643 0.842 0.684 CB 1.087 20 residues pruned to eliminate duplicates Z: 25 26.657 1.775 0.873 0.877 0.958 0.708 CB 1.241 26 residues pruned to eliminate duplicates Z: 24 25.678 1.776 0.754 0.920 1.000 0.739 CB 1.210 23 residues pruned to eliminate duplicates Z: 7 9.108 1.616 0.567 0.848 1.000 0.500 CB 1.090 7 residues pruned to eliminate duplicates Z: 20 27.383 1.785 0.955 0.912 0.895 0.316 CB 1.425 19 residues pruned to eliminate duplicates Z: 28 26.176 1.650 0.891 0.939 0.926 0.667 CB 1.212 28 residues pruned to eliminate duplicates Z: 26 27.935 1.759 0.944 0.943 1.000 0.520 CB 1.132 26 residues pruned to eliminate duplicates 9 1.972 1.384 0.307 0.466 0.625 0.375 CB 0.638 ? Z: 27 25.005 1.778 1.092 0.929 0.923 0.538 CB 0.999 27 residues pruned to eliminate duplicates Z: 29 13.498 1.698 0.289 0.902 0.929 0.821 CB 0.895 29 residues pruned to eliminate duplicates Z: 15 12.272 1.621 0.550 0.909 0.857 0.786 CB 1.081 15 residues pruned to eliminate duplicates Z: 19 15.966 1.671 0.549 0.870 1.000 0.833 CB 1.061 19 residues pruned to eliminate duplicates Z: 21 21.361 1.599 0.991 0.910 1.000 0.650 CB 1.064 21 residues pruned to eliminate duplicates Z: 11 6.084 1.438 0.793 0.781 0.900 0.400 CB 0.647 11 residues pruned to eliminate duplicates Z: 11 12.185 1.580 0.780 0.840 0.900 0.400 CB 1.136 11 residues pruned to eliminate duplicates Z: 18 24.143 1.719 0.926 0.883 0.941 0.647 CB 1.359 18 residues pruned to eliminate duplicates Z: 25 24.280 1.765 0.922 0.913 0.917 0.417 CB 1.128 25 residues pruned to eliminate duplicates Z: 16 16.034 1.538 0.768 0.901 1.000 0.800 CB 1.087 16 residues pruned to eliminate duplicates Z: 25 19.538 1.649 0.454 0.831 1.000 0.667 CB 1.250 22 residues pruned to eliminate duplicates Z: 11 8.390 1.662 0.861 0.880 0.800 0.600 CB 0.777 11 residues pruned to eliminate duplicates Z: 6 2.348 1.314 0.433 0.291 0.800 0.600 C 0.882 Z: 22 30.187 1.768 1.208 0.945 1.000 0.429 CB 1.168 22 residues pruned to eliminate duplicates Z: 16 18.240 1.842 0.704 0.927 1.000 0.867 CB 1.052 16 residues pruned to eliminate duplicates Z: 22 19.430 1.587 0.733 0.912 0.952 0.571 CB 1.146 22 residues pruned to eliminate duplicates Z: 7 9.775 1.779 0.861 0.296 1.000 0.667 CA 1.514 7 residues pruned to eliminate duplicates Z: 9 7.855 1.776 0.561 0.725 0.750 0.625 CA 1.091 9 residues pruned to eliminate duplicates Z: 27 26.700 1.727 0.800 0.936 0.885 0.385 CB 1.326 27 residues pruned to eliminate duplicates Z: 10 7.071 1.633 0.240 0.873 0.889 0.333 CB 0.954 10 residues pruned to eliminate duplicates Z: 29 24.953 1.652 0.773 0.877 0.964 0.679 CA 1.212 28 residues pruned to eliminate duplicates Z: 23 30.169 1.772 0.907 0.938 1.000 0.545 CA 1.323 23 residues pruned to eliminate duplicates Z: 8 3.381 1.342 0.089 0.733 0.857 0.571 CA 0.828 8 residues pruned to eliminate duplicates Z: 14 12.378 1.378 0.898 0.879 1.000 0.692 CB 0.952 14 residues pruned to eliminate duplicates Z: 24 26.003 1.593 1.107 0.922 1.000 0.739 CB 1.136 26 residues pruned to eliminate duplicates Z: 15 14.074 1.722 0.611 0.889 1.000 0.929 CB 0.977 15 residues pruned to eliminate duplicates Z: 7 7.966 1.518 0.539 0.807 1.000 0.500 CB 1.064 7 residues pruned to eliminate duplicates 9 1.810 1.259 0.337 0.200 0.750 0.500 CA 0.725 ? Z: 19 17.664 1.927 0.239 0.931 1.000 0.889 CB 1.218 19 residues pruned to eliminate duplicates Z: 9 10.337 1.676 0.932 0.871 0.875 0.250 CB 0.941 9 residues pruned to eliminate duplicates Z: 11 10.545 1.548 0.653 0.838 1.000 0.800 CA 0.974 11 residues pruned to eliminate duplicates Z: 28 22.687 1.756 0.867 0.765 0.926 0.556 CB 1.137 29 residues pruned to eliminate duplicates Z: 6 3.828 1.474 0.755 0.331 0.800 0.400 CB 0.996 6 residues pruned to eliminate duplicates Z: 24 19.423 1.661 0.601 0.825 0.957 0.826 CA 1.201 24 residues pruned to eliminate duplicates Z: 20 24.690 1.899 0.662 0.929 1.000 0.895 CB 1.255 20 residues pruned to eliminate duplicates Z: 16 22.372 1.818 0.898 0.906 0.933 0.333 CB 1.276 16 residues pruned to eliminate duplicates Z: 22 21.791 1.823 0.806 0.735 0.952 0.667 CB 1.228 25 residues pruned to eliminate duplicates Z: 8 2.574 1.404 0.177 0.445 0.714 0.571 CB 0.872 Z: 6 2.607 1.428 0.307 0.574 0.800 0.600 CB 0.726 Z: 11 7.655 1.482 0.565 0.886 1.000 0.700 CB 0.753 11 residues pruned to eliminate duplicates Z: 9 4.515 1.434 0.154 0.781 0.875 0.500 CB 0.861 9 residues pruned to eliminate duplicates Z: 19 14.018 1.624 0.670 0.888 0.778 0.389 CB 1.129 19 residues pruned to eliminate duplicates Z: 15 12.518 1.491 0.805 0.913 1.000 0.714 CB 0.880 15 residues pruned to eliminate duplicates Z: 6 6.298 1.556 0.714 0.693 1.000 0.800 CB 0.885 Z: 10 10.349 1.467 0.558 0.789 1.000 0.778 CB 1.171 10 residues pruned to eliminate duplicates 7 1.680 1.287 0.327 0.243 0.833 0.333 CB 0.649 ? Z: 21 20.420 1.829 0.741 0.902 0.950 0.750 CB 1.077 21 residues pruned to eliminate duplicates Z: 28 28.058 1.749 0.914 0.943 1.000 0.852 CA 1.118 28 residues pruned to eliminate duplicates Z: 10 9.551 1.550 0.566 0.908 1.000 0.889 CB 0.931 10 residues pruned to eliminate duplicates Z: 11 3.362 1.337 0.421 0.186 0.800 0.300 CB 1.020 6 1.642 1.507 0.502 0.781 1.000 0.800 CB 0.253 ? Z: 16 12.372 1.511 0.901 0.869 1.000 0.533 CB 0.812 16 residues pruned to eliminate duplicates Z: 18 10.505 1.718 0.381 0.920 1.000 0.706 CB 0.756 19 residues pruned to eliminate duplicates Z: 18 14.971 1.720 0.586 0.911 0.941 0.824 CA 1.003 18 residues pruned to eliminate duplicates Z: 23 19.961 1.765 0.740 0.769 0.909 0.545 CA 1.201 23 residues pruned to eliminate duplicates Z: 8 5.464 1.604 0.090 0.842 1.000 0.857 CA 0.881 8 residues pruned to eliminate duplicates Z: 7 4.663 1.246 0.886 0.862 1.000 0.833 CB 0.595 7 residues pruned to eliminate duplicates Z: 21 14.174 1.603 0.489 0.891 0.950 0.700 CB 1.005 21 residues pruned to eliminate duplicates Z: 7 3.240 1.338 0.183 0.452 1.000 0.833 CB 0.877 Z: 10 6.658 1.817 0.527 0.882 0.889 0.333 CB 0.651 10 residues pruned to eliminate duplicates Z: 28 12.878 1.661 0.376 0.893 0.889 0.815 CB 0.876 28 residues pruned to eliminate duplicates Z: 14 15.240 1.620 0.779 0.920 1.000 0.692 CB 1.033 14 residues pruned to eliminate duplicates Z: 13 16.353 1.686 0.809 0.870 1.000 1.000 CA 1.130 13 residues pruned to eliminate duplicates Z: 25 28.745 1.696 0.974 0.938 0.958 0.625 CB 1.272 25 residues pruned to eliminate duplicates Z: 10 5.176 1.571 0.087 0.429 1.000 0.667 CB 1.088 9 residues pruned to eliminate duplicates 7 1.914 1.283 -0.107 0.502 0.833 0.500 N 0.816 ? Z: 22 22.870 1.801 0.758 0.942 1.000 0.714 CB 1.093 22 residues pruned to eliminate duplicates Z: 25 22.652 1.589 0.963 0.917 1.000 0.667 CA 1.046 24 residues pruned to eliminate duplicates Z: 21 18.999 1.656 0.940 0.877 0.950 0.550 CB 1.011 21 residues pruned to eliminate duplicates Z: 22 25.611 1.693 0.984 0.917 0.952 0.476 CB 1.233 22 residues pruned to eliminate duplicates Z: 9 2.001 1.110 0.861 0.338 0.625 0.500 CA 0.654 Z: 31 21.784 1.728 0.900 0.672 0.867 0.333 CB 1.192 31 residues pruned to eliminate duplicates 8 1.871 1.346 0.460 0.181 0.571 0.286 N 0.926 ? Z: 26 13.979 1.649 0.598 0.888 0.960 0.720 CB 0.796 26 residues pruned to eliminate duplicates Z: 10 6.604 1.600 0.661 0.833 1.000 0.667 CB 0.621 10 residues pruned to eliminate duplicates Z: 21 23.921 1.776 0.645 0.879 1.000 0.750 CB 1.329 21 residues pruned to eliminate duplicates 285 residues left after pruning, divided into chains as follows: A: 18 B: 28 C: 16 D: 25 E: 28 F: 16 G: 38 H: 56 I: 6 J: 22 K: 7 L: 25 CC for partial structure against native data = 37.26 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.359, Connect. = 0.694 for dens.mod. cycle 1 = 0.300, Contrast = 0.413, Connect. = 0.718 for dens.mod. cycle 2 = 0.300, Contrast = 0.488, Connect. = 0.751 for dens.mod. cycle 3 = 0.300, Contrast = 0.492, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.500, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.504, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.508, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.511, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.513, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.514, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1656 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 376 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 32.201 2.081 0.622 0.914 1.000 0.808 CA 1.323 B: 29 38.950 2.053 0.598 0.923 1.000 0.929 CB 1.576 C: 14 20.207 2.000 0.577 0.889 1.000 0.923 CB 1.279 13 residues pruned to eliminate duplicates D: 27 40.211 2.087 0.839 0.948 0.962 0.654 CB 1.475 E: 29 35.355 2.059 0.516 0.910 0.964 0.857 CA 1.573 29 residues pruned to eliminate duplicates F: 27 36.717 2.064 0.644 0.934 1.000 0.846 CB 1.479 27 residues pruned to eliminate duplicates G: 21 41.160 2.136 1.062 0.915 1.000 0.900 CB 1.476 H: 15 26.689 2.002 0.940 0.927 1.000 0.929 CB 1.287 I: 19 15.939 2.073 0.380 0.614 0.889 0.778 CB 1.326 J: 29 30.889 1.956 0.582 0.918 0.929 0.893 CA 1.433 K: 31 40.398 1.984 0.801 0.857 0.967 0.800 CA 1.573 29 residues pruned to eliminate duplicates L: 22 41.320 2.106 1.097 0.925 1.000 0.857 CB 1.432 22 residues pruned to eliminate duplicates M: 30 41.048 2.042 0.606 0.953 1.000 0.759 CA 1.600 30 residues pruned to eliminate duplicates N: 16 26.097 2.002 0.909 0.895 0.933 0.667 CA 1.354 15 residues pruned to eliminate duplicates O: 31 34.403 1.988 0.584 0.874 1.000 0.867 CA 1.452 30 residues pruned to eliminate duplicates P: 22 36.994 2.094 0.988 0.925 0.952 0.714 CB 1.430 22 residues pruned to eliminate duplicates Q: 22 22.596 1.920 0.733 0.854 0.905 0.571 CB 1.210 R: 10 16.630 2.078 0.511 0.865 1.000 0.889 CA 1.293 10 residues pruned to eliminate duplicates S: 20 44.315 2.100 1.122 0.907 0.947 0.474 CB 1.712 21 residues pruned to eliminate duplicates T: 28 49.816 2.106 0.945 0.918 1.000 0.556 CB 1.651 30 residues pruned to eliminate duplicates U: 21 43.198 2.186 1.172 0.919 0.950 0.450 CA 1.509 22 residues pruned to eliminate duplicates V: 30 32.405 2.003 0.394 0.883 1.000 0.828 CA 1.558 30 residues pruned to eliminate duplicates W: 28 34.128 2.065 0.633 0.917 1.000 0.852 CA 1.375 27 residues pruned to eliminate duplicates X: 29 36.698 2.092 0.573 0.911 0.964 0.750 CB 1.549 30 residues pruned to eliminate duplicates Y: 16 24.386 1.958 0.684 0.928 1.000 0.733 CB 1.337 16 residues pruned to eliminate duplicates Z: 19 30.007 2.092 0.891 0.915 0.889 0.667 CB 1.421 19 residues pruned to eliminate duplicates Z: 21 46.420 2.176 1.227 0.934 1.000 0.700 CA 1.493 20 residues pruned to eliminate duplicates Z: 30 34.710 2.026 0.542 0.893 1.000 0.828 CA 1.481 30 residues pruned to eliminate duplicates Z: 29 27.623 1.979 0.435 0.907 1.000 0.821 CA 1.306 29 residues pruned to eliminate duplicates Z: 27 21.633 1.936 0.329 0.906 0.923 0.731 CB 1.270 Z: 16 23.572 1.993 0.644 0.877 1.000 0.800 CB 1.349 16 residues pruned to eliminate duplicates Z: 37 40.182 2.048 0.608 0.844 0.972 0.806 CB 1.555 27 residues pruned to eliminate duplicates Z: 30 42.948 1.996 0.991 0.865 0.966 0.241 CB 1.523 29 residues pruned to eliminate duplicates Z: 23 35.344 2.125 0.740 0.919 0.955 0.682 CB 1.504 23 residues pruned to eliminate duplicates Z: 27 35.607 1.920 0.760 0.928 1.000 0.731 CA 1.447 Z: 29 36.569 2.029 0.651 0.881 0.964 0.714 CB 1.549 29 residues pruned to eliminate duplicates Z: 20 27.809 2.037 0.910 0.898 0.895 0.684 CB 1.311 20 residues pruned to eliminate duplicates Z: 23 40.052 2.066 1.112 0.896 1.000 0.818 CA 1.402 23 residues pruned to eliminate duplicates Z: 32 35.051 1.983 0.594 0.865 0.968 0.903 CA 1.508 30 residues pruned to eliminate duplicates Z: 14 25.399 2.011 0.889 0.903 1.000 0.385 CB 1.321 16 residues pruned to eliminate duplicates Z: 21 40.610 2.155 0.906 0.937 1.000 0.800 CB 1.538 22 residues pruned to eliminate duplicates Z: 20 39.671 2.214 0.927 0.934 0.947 0.895 CA 1.571 20 residues pruned to eliminate duplicates Z: 36 37.367 2.003 0.581 0.862 0.971 0.686 CB 1.508 36 residues pruned to eliminate duplicates Z: 28 40.515 2.058 1.007 0.908 0.926 0.519 CB 1.447 27 residues pruned to eliminate duplicates Z: 20 29.716 2.034 0.710 0.930 0.947 0.684 CB 1.446 20 residues pruned to eliminate duplicates Z: 11 12.948 1.745 0.450 0.783 0.900 0.600 CA 1.402 11 residues pruned to eliminate duplicates Z: 24 31.650 2.052 0.629 0.891 0.957 0.696 CB 1.483 24 residues pruned to eliminate duplicates Z: 30 42.863 2.091 0.938 0.876 0.931 0.690 CB 1.533 30 residues pruned to eliminate duplicates Z: 22 23.555 1.974 0.563 0.855 0.905 0.619 CA 1.359 22 residues pruned to eliminate duplicates Z: 28 34.554 2.034 0.603 0.931 0.963 0.815 CB 1.480 28 residues pruned to eliminate duplicates Z: 20 23.264 1.970 0.678 0.871 0.947 0.526 CA 1.242 20 residues pruned to eliminate duplicates Z: 12 17.322 1.837 0.910 0.801 1.000 0.455 CA 1.144 12 residues pruned to eliminate duplicates Z: 22 36.868 2.091 0.937 0.920 0.952 0.857 CB 1.469 22 residues pruned to eliminate duplicates Z: 30 35.315 2.028 0.712 0.866 0.931 0.448 CB 1.485 30 residues pruned to eliminate duplicates Z: 12 11.323 1.914 0.503 0.724 0.909 0.545 CA 1.067 12 residues pruned to eliminate duplicates Z: 26 38.125 1.941 0.859 0.918 1.000 0.640 CB 1.490 27 residues pruned to eliminate duplicates Z: 23 29.681 2.031 0.625 0.929 1.000 0.864 CA 1.342 23 residues pruned to eliminate duplicates Z: 28 26.817 1.841 0.475 0.895 1.000 0.889 CA 1.363 27 residues pruned to eliminate duplicates Z: 18 27.416 2.141 0.732 0.914 0.765 0.647 CA 1.659 18 residues pruned to eliminate duplicates Z: 17 19.803 1.901 0.559 0.884 0.938 0.938 CA 1.287 17 residues pruned to eliminate duplicates Z: 21 13.812 1.924 0.434 0.593 0.850 0.500 CB 1.205 21 residues pruned to eliminate duplicates Z: 26 37.469 1.949 0.797 0.930 1.000 0.560 CB 1.496 26 residues pruned to eliminate duplicates Z: 27 28.758 1.928 0.464 0.929 1.000 0.962 CA 1.398 27 residues pruned to eliminate duplicates Z: 27 37.990 2.067 0.862 0.948 1.000 0.385 CB 1.338 29 residues pruned to eliminate duplicates Z: 27 41.821 2.099 0.782 0.949 1.000 0.731 CB 1.514 30 residues pruned to eliminate duplicates Z: 28 28.088 1.851 0.633 0.846 0.963 0.741 CA 1.380 28 residues pruned to eliminate duplicates Z: 27 31.228 2.043 0.576 0.921 1.000 0.923 CA 1.339 27 residues pruned to eliminate duplicates Z: 29 42.760 2.028 1.040 0.939 0.964 0.607 CA 1.408 28 residues pruned to eliminate duplicates Z: 29 51.464 2.117 0.980 0.933 1.000 0.643 CB 1.618 29 residues pruned to eliminate duplicates Z: 35 35.496 2.021 0.674 0.845 0.941 0.382 CB 1.422 35 residues pruned to eliminate duplicates Z: 11 16.760 1.714 0.702 0.837 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 21 31.486 1.973 1.000 0.909 0.950 0.650 CB 1.332 21 residues pruned to eliminate duplicates Z: 28 30.849 1.839 0.711 0.912 1.000 0.556 CB 1.336 28 residues pruned to eliminate duplicates Z: 30 44.165 2.009 0.941 0.925 1.000 0.655 CB 1.476 30 residues pruned to eliminate duplicates Z: 23 26.711 1.998 0.582 0.858 0.909 0.773 CA 1.459 23 residues pruned to eliminate duplicates Z: 29 48.872 2.072 0.932 0.941 1.000 0.750 CB 1.601 29 residues pruned to eliminate duplicates Z: 29 24.111 1.861 0.591 0.882 0.893 0.643 CA 1.247 23 residues pruned to eliminate duplicates Z: 26 34.024 1.920 0.734 0.914 1.000 0.680 CA 1.446 26 residues pruned to eliminate duplicates Z: 29 38.817 2.026 1.055 0.908 0.929 0.429 CB 1.348 29 residues pruned to eliminate duplicates Z: 16 24.898 1.977 0.812 0.915 1.000 0.733 CB 1.268 16 residues pruned to eliminate duplicates Z: 21 25.097 1.958 0.758 0.846 0.950 0.700 CA 1.275 21 residues pruned to eliminate duplicates Z: 28 37.909 2.031 0.921 0.951 0.963 0.407 CB 1.338 28 residues pruned to eliminate duplicates Z: 10 12.125 1.819 0.315 0.779 0.889 0.444 CA 1.486 10 residues pruned to eliminate duplicates Z: 17 18.293 1.804 0.700 0.869 0.812 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 22 34.043 2.027 1.079 0.859 0.905 0.429 CA 1.433 21 residues pruned to eliminate duplicates Z: 30 31.609 2.014 0.389 0.885 1.000 0.793 CA 1.515 30 residues pruned to eliminate duplicates Z: 10 14.692 2.035 0.576 0.932 1.000 0.556 CB 1.067 10 residues pruned to eliminate duplicates Z: 16 24.618 1.939 0.775 0.867 0.933 0.533 CB 1.448 16 residues pruned to eliminate duplicates Z: 11 13.973 1.788 0.579 0.755 0.900 0.900 CB 1.385 11 residues pruned to eliminate duplicates Z: 24 44.318 2.138 0.827 0.953 1.000 0.696 CB 1.628 24 residues pruned to eliminate duplicates Z: 30 35.490 2.016 0.756 0.855 0.931 0.759 CB 1.475 30 residues pruned to eliminate duplicates Z: 22 47.244 2.124 1.379 0.936 1.000 0.476 CB 1.420 21 residues pruned to eliminate duplicates Z: 27 37.378 1.887 0.873 0.919 1.000 0.731 CB 1.462 27 residues pruned to eliminate duplicates Z: 29 47.638 2.118 0.911 0.932 0.964 0.821 CB 1.611 29 residues pruned to eliminate duplicates Z: 15 11.535 1.888 -0.099 0.917 0.929 0.929 CA 1.377 15 residues pruned to eliminate duplicates Z: 11 17.591 2.073 0.600 0.830 1.000 0.900 CA 1.261 11 residues pruned to eliminate duplicates Z: 28 38.613 2.004 0.930 0.940 1.000 0.481 CB 1.334 27 residues pruned to eliminate duplicates Z: 24 19.448 1.840 0.429 0.909 0.870 0.696 CB 1.258 24 residues pruned to eliminate duplicates Z: 26 21.695 1.949 0.325 0.915 0.960 0.680 CB 1.236 26 residues pruned to eliminate duplicates Z: 29 37.885 2.003 0.908 0.909 0.929 0.571 CB 1.432 29 residues pruned to eliminate duplicates Z: 27 39.155 1.927 0.885 0.919 1.000 0.615 CA 1.490 27 residues pruned to eliminate duplicates Z: 12 18.329 2.011 0.323 0.915 1.000 0.909 CB 1.468 12 residues pruned to eliminate duplicates Z: 15 17.790 1.904 0.354 0.930 0.929 0.786 CB 1.389 16 residues pruned to eliminate duplicates Z: 27 36.557 1.908 0.805 0.911 1.000 0.577 CB 1.475 27 residues pruned to eliminate duplicates Z: 17 17.577 1.867 0.445 0.820 0.938 0.812 CA 1.316 17 residues pruned to eliminate duplicates Z: 14 24.304 2.002 0.915 0.907 1.000 0.615 CB 1.250 14 residues pruned to eliminate duplicates Z: 27 26.078 1.924 0.564 0.929 0.962 0.692 CB 1.237 26 residues pruned to eliminate duplicates Z: 29 41.814 2.088 0.662 0.935 0.964 0.714 CB 1.645 29 residues pruned to eliminate duplicates Z: 22 27.941 2.060 0.640 0.891 0.952 0.857 CA 1.361 22 residues pruned to eliminate duplicates Z: 27 36.285 2.080 0.865 0.929 0.923 0.615 CB 1.391 27 residues pruned to eliminate duplicates Z: 29 47.975 2.109 0.846 0.927 1.000 0.607 CB 1.632 29 residues pruned to eliminate duplicates Z: 19 24.824 2.037 0.685 0.907 0.889 0.889 CA 1.362 19 residues pruned to eliminate duplicates Z: 17 11.732 1.730 0.424 0.938 1.000 0.875 CB 0.828 Z: 27 30.289 1.902 0.646 0.912 1.000 0.769 CA 1.343 27 residues pruned to eliminate duplicates Z: 26 27.325 1.932 0.547 0.900 0.960 0.880 CA 1.361 26 residues pruned to eliminate duplicates Z: 23 22.557 1.925 0.472 0.906 0.955 0.636 CB 1.264 21 residues pruned to eliminate duplicates Z: 22 30.514 2.089 0.502 0.932 1.000 0.952 CA 1.482 22 residues pruned to eliminate duplicates Z: 30 39.689 2.061 0.705 0.866 1.000 0.655 CB 1.535 27 residues pruned to eliminate duplicates Z: 28 33.582 2.015 0.863 0.940 0.963 0.407 CB 1.242 27 residues pruned to eliminate duplicates Z: 21 28.439 1.901 0.908 0.904 0.900 0.400 CB 1.387 21 residues pruned to eliminate duplicates Z: 30 29.574 1.990 0.414 0.885 0.966 0.931 CA 1.459 31 residues pruned to eliminate duplicates Z: 29 26.821 1.943 0.588 0.907 0.929 0.857 CB 1.257 29 residues pruned to eliminate duplicates Z: 11 16.310 2.067 0.674 0.810 0.900 0.700 CA 1.264 11 residues pruned to eliminate duplicates Z: 10 18.149 2.037 0.625 0.822 0.889 0.667 CA 1.555 10 residues pruned to eliminate duplicates Z: 29 34.690 2.032 0.548 0.855 1.000 0.750 CB 1.539 29 residues pruned to eliminate duplicates Z: 28 38.161 2.018 0.700 0.947 1.000 0.926 CA 1.479 28 residues pruned to eliminate duplicates Z: 10 13.797 1.997 0.635 0.849 1.000 0.556 CA 1.044 10 residues pruned to eliminate duplicates Z: 33 31.833 2.043 0.323 0.883 0.969 0.844 CA 1.554 33 residues pruned to eliminate duplicates Z: 29 38.528 2.001 0.856 0.918 0.964 0.571 CB 1.434 29 residues pruned to eliminate duplicates Z: 19 22.175 2.089 0.319 0.808 0.889 0.778 CA 1.631 19 residues pruned to eliminate duplicates Z: 28 29.706 2.023 0.671 0.924 0.852 0.556 CB 1.394 28 residues pruned to eliminate duplicates Z: 15 10.155 1.770 0.144 0.883 1.000 0.714 CB 0.969 17 residues pruned to eliminate duplicates Z: 12 14.161 1.924 0.408 0.858 0.909 0.455 CA 1.277 12 residues pruned to eliminate duplicates Z: 30 43.309 2.019 1.073 0.918 0.966 0.483 CB 1.403 29 residues pruned to eliminate duplicates Z: 16 19.446 1.944 0.698 0.837 0.933 0.800 CA 1.219 16 residues pruned to eliminate duplicates Z: 26 27.072 1.969 0.459 0.943 0.960 0.920 CA 1.360 26 residues pruned to eliminate duplicates Z: 28 34.206 1.873 0.826 0.898 0.963 0.630 CA 1.429 28 residues pruned to eliminate duplicates Z: 27 38.261 1.911 0.887 0.935 1.000 0.654 CA 1.451 27 residues pruned to eliminate duplicates Z: 27 19.886 1.932 0.293 0.926 0.885 0.692 CB 1.238 27 residues pruned to eliminate duplicates Z: 29 35.366 2.029 0.613 0.882 1.000 0.857 CA 1.478 29 residues pruned to eliminate duplicates Z: 28 30.882 2.019 0.565 0.917 0.963 0.889 CA 1.378 28 residues pruned to eliminate duplicates Z: 30 39.384 2.033 0.626 0.939 1.000 0.828 CB 1.537 30 residues pruned to eliminate duplicates Z: 27 37.519 1.908 0.836 0.916 1.000 0.577 CB 1.483 27 residues pruned to eliminate duplicates Z: 23 19.780 1.838 0.772 0.795 0.818 0.227 CA 1.222 23 residues pruned to eliminate duplicates Z: 16 24.804 1.900 0.834 0.910 1.000 0.800 CB 1.304 16 residues pruned to eliminate duplicates Z: 30 29.504 1.887 0.492 0.902 1.000 0.828 CA 1.389 30 residues pruned to eliminate duplicates Z: 21 21.196 1.862 0.586 0.932 0.850 0.600 CB 1.318 21 residues pruned to eliminate duplicates Z: 29 44.973 2.076 0.906 0.947 1.000 0.500 CB 1.485 29 residues pruned to eliminate duplicates Z: 29 30.634 1.965 0.567 0.898 0.964 0.821 CA 1.395 29 residues pruned to eliminate duplicates Z: 24 29.020 1.945 0.598 0.914 1.000 0.957 CA 1.377 24 residues pruned to eliminate duplicates Z: 29 33.243 2.029 0.526 0.868 0.964 0.714 CB 1.538 29 residues pruned to eliminate duplicates Z: 28 38.886 2.033 1.142 0.879 0.889 0.519 CB 1.402 28 residues pruned to eliminate duplicates Z: 20 19.713 1.874 0.334 0.942 1.000 0.842 CA 1.254 20 residues pruned to eliminate duplicates Z: 30 34.090 1.972 0.844 0.904 0.897 0.345 CB 1.383 30 residues pruned to eliminate duplicates Z: 19 35.525 2.030 1.140 0.941 1.000 0.667 CB 1.338 19 residues pruned to eliminate duplicates Z: 27 26.588 1.866 0.487 0.888 0.962 0.731 CA 1.409 27 residues pruned to eliminate duplicates Z: 26 37.092 2.118 0.703 0.937 1.000 0.680 CB 1.432 26 residues pruned to eliminate duplicates Z: 12 14.289 1.921 0.694 0.791 0.909 0.455 CA 1.128 12 residues pruned to eliminate duplicates Z: 28 47.823 2.117 0.851 0.937 1.000 0.704 CB 1.634 28 residues pruned to eliminate duplicates Z: 22 34.414 2.107 1.012 0.935 0.952 0.952 CA 1.296 22 residues pruned to eliminate duplicates Z: 6 7.169 1.659 0.389 0.641 1.000 0.800 CA 1.220 6 residues pruned to eliminate duplicates Z: 29 42.403 2.069 0.765 0.937 0.964 0.786 CB 1.583 29 residues pruned to eliminate duplicates Z: 28 28.738 2.008 0.545 0.917 0.926 0.852 CA 1.359 28 residues pruned to eliminate duplicates Z: 27 37.057 1.891 0.844 0.902 1.000 0.615 CA 1.487 27 residues pruned to eliminate duplicates Z: 16 10.033 1.789 0.119 0.912 1.000 0.867 CB 0.916 16 residues pruned to eliminate duplicates Z: 30 38.433 2.068 0.891 0.875 0.897 0.552 CB 1.481 31 residues pruned to eliminate duplicates Z: 24 15.917 1.787 0.328 0.794 0.870 0.609 CA 1.242 24 residues pruned to eliminate duplicates Z: 29 33.754 1.978 0.717 0.907 0.929 0.786 CB 1.438 29 residues pruned to eliminate duplicates Z: 29 42.094 2.102 0.640 0.936 0.964 0.750 CA 1.666 29 residues pruned to eliminate duplicates Z: 26 32.702 1.932 0.638 0.925 1.000 0.920 CA 1.450 26 residues pruned to eliminate duplicates Z: 31 33.077 1.969 0.442 0.886 1.000 0.767 CB 1.535 31 residues pruned to eliminate duplicates Z: 28 41.830 2.096 0.711 0.926 1.000 0.815 CA 1.574 28 residues pruned to eliminate duplicates Z: 22 25.257 1.864 0.808 0.844 1.000 0.571 CB 1.217 22 residues pruned to eliminate duplicates Z: 21 33.107 2.109 1.065 0.926 0.900 0.450 CB 1.325 21 residues pruned to eliminate duplicates Z: 23 20.044 1.913 0.516 0.885 0.864 0.773 CA 1.232 23 residues pruned to eliminate duplicates Z: 29 46.995 2.072 0.919 0.919 0.964 0.571 CB 1.632 29 residues pruned to eliminate duplicates Z: 28 43.588 2.090 1.004 0.920 0.926 0.333 CB 1.523 28 residues pruned to eliminate duplicates Z: 7 9.151 1.676 0.687 0.777 0.833 0.500 N 1.242 7 residues pruned to eliminate duplicates Z: 15 14.798 1.826 0.150 0.919 1.000 1.000 CB 1.327 15 residues pruned to eliminate duplicates Z: 30 34.732 2.030 0.535 0.893 0.966 0.828 CA 1.539 30 residues pruned to eliminate duplicates Z: 19 11.264 1.952 0.406 0.622 0.889 0.667 CB 0.970 19 residues pruned to eliminate duplicates Z: 25 34.069 1.968 0.633 0.946 1.000 0.708 CA 1.496 25 residues pruned to eliminate duplicates Z: 6 4.517 1.418 0.466 0.335 1.000 0.600 C 1.164 Z: 26 31.330 1.963 0.961 0.782 0.920 0.440 CA 1.380 26 residues pruned to eliminate duplicates Z: 16 11.158 1.753 0.375 0.905 1.000 0.867 CB 0.851 15 residues pruned to eliminate duplicates Z: 28 24.269 1.921 0.834 0.751 0.852 0.519 CB 1.244 28 residues pruned to eliminate duplicates Z: 20 25.479 1.894 0.785 0.937 0.947 0.474 CA 1.270 20 residues pruned to eliminate duplicates Z: 28 33.273 1.982 0.650 0.916 1.000 0.852 CA 1.383 28 residues pruned to eliminate duplicates Z: 26 22.761 1.919 0.440 0.922 1.000 0.600 CB 1.158 26 residues pruned to eliminate duplicates Z: 27 36.431 1.907 0.880 0.907 0.962 0.692 CA 1.473 27 residues pruned to eliminate duplicates Z: 26 28.660 1.931 0.512 0.924 1.000 0.800 CA 1.379 26 residues pruned to eliminate duplicates Z: 28 37.260 2.026 0.876 0.944 0.963 0.407 CB 1.357 28 residues pruned to eliminate duplicates Z: 12 12.309 1.902 0.390 0.795 1.000 0.545 CA 1.084 12 residues pruned to eliminate duplicates Z: 28 32.431 1.846 0.693 0.902 1.000 0.630 CA 1.424 28 residues pruned to eliminate duplicates Z: 25 19.313 1.852 0.276 0.890 0.958 0.833 CB 1.252 25 residues pruned to eliminate duplicates Z: 18 35.721 2.089 1.260 0.945 0.941 0.706 CB 1.349 22 residues pruned to eliminate duplicates Z: 22 22.083 1.918 0.462 0.882 0.952 0.762 CA 1.306 22 residues pruned to eliminate duplicates Z: 20 16.624 1.917 0.381 0.628 1.000 0.684 CB 1.276 19 residues pruned to eliminate duplicates Z: 17 26.162 2.150 0.525 0.917 1.000 0.875 CB 1.407 17 residues pruned to eliminate duplicates Z: 29 38.921 1.984 0.738 0.933 1.000 0.893 CB 1.489 29 residues pruned to eliminate duplicates Z: 31 35.620 1.956 0.596 0.898 1.000 0.767 CB 1.490 31 residues pruned to eliminate duplicates Z: 24 22.625 1.966 0.402 0.905 0.957 0.783 CB 1.273 24 residues pruned to eliminate duplicates Z: 25 29.711 1.928 0.764 0.876 0.958 0.750 CB 1.352 25 residues pruned to eliminate duplicates Z: 22 13.849 1.883 0.418 0.555 0.905 0.619 CB 1.185 22 residues pruned to eliminate duplicates Z: 27 42.582 2.054 1.248 0.934 0.962 0.462 CB 1.311 27 residues pruned to eliminate duplicates Z: 15 18.396 1.894 0.722 0.884 0.786 0.714 CB 1.385 15 residues pruned to eliminate duplicates Z: 16 23.648 1.980 0.735 0.894 1.000 0.867 CB 1.276 16 residues pruned to eliminate duplicates Z: 30 35.407 1.987 0.931 0.901 0.897 0.414 CB 1.365 30 residues pruned to eliminate duplicates Z: 7 4.601 1.616 0.718 0.230 0.833 0.500 CB 1.113 Z: 28 40.079 2.073 0.897 0.916 0.963 0.593 CB 1.439 28 residues pruned to eliminate duplicates Z: 20 29.152 2.022 0.818 0.905 0.947 0.789 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 26.102 1.859 0.936 0.898 0.950 0.300 CB 1.221 21 residues pruned to eliminate duplicates Z: 20 17.975 1.956 0.453 0.823 0.842 0.737 CB 1.303 20 residues pruned to eliminate duplicates Z: 11 14.530 2.009 0.399 0.834 1.000 0.800 CA 1.225 11 residues pruned to eliminate duplicates Z: 29 34.047 2.069 0.425 0.928 1.000 0.821 CA 1.529 29 residues pruned to eliminate duplicates Z: 25 31.708 2.071 0.767 0.886 0.917 0.792 CA 1.392 25 residues pruned to eliminate duplicates Z: 16 10.341 1.759 0.208 0.877 1.000 0.600 CB 0.912 16 residues pruned to eliminate duplicates Z: 7 10.644 2.017 0.383 0.863 0.833 0.667 CA 1.371 7 residues pruned to eliminate duplicates Z: 29 29.503 1.957 0.626 0.873 0.964 0.714 CA 1.324 29 residues pruned to eliminate duplicates Z: 26 39.485 1.919 1.009 0.932 0.960 0.400 CA 1.491 26 residues pruned to eliminate duplicates Z: 29 46.080 2.099 0.925 0.931 0.964 0.643 CB 1.562 29 residues pruned to eliminate duplicates Z: 20 38.805 2.222 0.814 0.943 0.947 0.789 CB 1.615 20 residues pruned to eliminate duplicates 7 1.298 1.322 0.293 0.539 0.667 0.667 CB 0.447 ? Z: 11 17.714 2.001 0.576 0.821 1.000 0.700 CA 1.344 11 residues pruned to eliminate duplicates Z: 20 11.032 1.961 0.328 0.546 0.842 0.526 CB 1.103 20 residues pruned to eliminate duplicates Z: 26 31.902 1.928 0.615 0.934 1.000 0.800 CB 1.429 26 residues pruned to eliminate duplicates Z: 16 15.267 1.844 0.242 0.830 0.933 0.800 CA 1.386 16 residues pruned to eliminate duplicates Z: 24 18.845 1.964 0.258 0.931 1.000 0.652 CB 1.111 24 residues pruned to eliminate duplicates Z: 28 26.413 1.940 0.591 0.943 0.963 0.556 CB 1.185 28 residues pruned to eliminate duplicates Z: 15 18.795 1.898 0.816 0.882 0.929 0.429 CB 1.136 15 residues pruned to eliminate duplicates Z: 6 6.072 1.735 -0.016 0.740 1.000 0.600 CB 1.282 Z: 11 16.682 2.071 0.664 0.798 0.900 0.400 CA 1.311 11 residues pruned to eliminate duplicates Z: 26 44.299 2.080 1.067 0.925 0.960 0.360 CB 1.507 26 residues pruned to eliminate duplicates Z: 8 3.962 1.619 0.073 0.440 0.714 0.571 CB 1.283 7 residues pruned to eliminate duplicates Z: 9 4.726 1.839 0.419 0.274 0.750 0.625 CB 1.103 7 residues pruned to eliminate duplicates Z: 22 40.974 2.059 1.040 0.942 1.000 0.857 CA 1.476 22 residues pruned to eliminate duplicates Z: 20 27.252 1.884 0.987 0.939 0.895 0.211 CB 1.296 20 residues pruned to eliminate duplicates Z: 23 15.613 1.920 0.346 0.602 0.955 0.682 CB 1.225 21 residues pruned to eliminate duplicates Z: 25 16.694 1.739 0.740 0.588 0.875 0.625 CB 1.183 25 residues pruned to eliminate duplicates Z: 29 34.895 1.950 0.796 0.930 0.964 0.679 CB 1.366 29 residues pruned to eliminate duplicates Z: 19 22.858 1.996 0.606 0.699 0.944 0.556 CB 1.484 20 residues pruned to eliminate duplicates Z: 25 21.645 1.896 0.562 0.817 0.875 0.708 CA 1.294 25 residues pruned to eliminate duplicates Z: 28 32.026 1.992 0.672 0.911 0.963 0.852 CA 1.362 28 residues pruned to eliminate duplicates Z: 17 18.427 1.815 0.483 0.847 1.000 0.812 CB 1.270 17 residues pruned to eliminate duplicates Z: 22 25.477 1.945 0.874 0.848 0.905 0.571 CA 1.250 22 residues pruned to eliminate duplicates Z: 27 42.388 2.044 1.093 0.929 1.000 0.462 CB 1.360 27 residues pruned to eliminate duplicates Z: 12 17.871 1.819 0.714 0.921 1.000 0.818 CA 1.216 12 residues pruned to eliminate duplicates Z: 6 6.164 1.759 0.459 0.688 1.000 0.800 CA 0.904 6 residues pruned to eliminate duplicates Z: 16 5.386 1.655 0.385 0.329 0.667 0.533 CB 1.098 16 residues pruned to eliminate duplicates Z: 48 33.984 2.047 0.550 0.722 0.936 0.723 CB 1.366 70 residues pruned to eliminate duplicates Z: 28 40.804 2.070 0.954 0.923 0.963 0.593 CB 1.417 28 residues pruned to eliminate duplicates Z: 35 31.668 1.993 0.843 0.780 0.912 0.324 CB 1.267 35 residues pruned to eliminate duplicates Z: 38 39.566 2.019 0.620 0.855 0.919 0.730 CA 1.597 37 residues pruned to eliminate duplicates Z: 18 25.269 2.023 0.369 0.910 1.000 0.882 CA 1.570 18 residues pruned to eliminate duplicates Z: 27 34.194 1.901 0.842 0.930 1.000 0.885 CA 1.339 27 residues pruned to eliminate duplicates Z: 13 9.223 1.765 0.304 0.895 0.917 0.667 CB 0.905 13 residues pruned to eliminate duplicates Z: 25 20.234 1.929 0.273 0.881 0.875 0.792 CA 1.392 25 residues pruned to eliminate duplicates Z: 30 40.552 1.992 1.030 0.890 0.897 0.414 CB 1.494 30 residues pruned to eliminate duplicates Z: 29 28.580 1.891 0.782 0.918 0.964 0.464 CB 1.172 29 residues pruned to eliminate duplicates Z: 12 12.782 1.802 0.299 0.924 0.909 0.909 CB 1.272 12 residues pruned to eliminate duplicates Z: 16 10.947 1.699 0.475 0.893 1.000 0.667 CB 0.809 16 residues pruned to eliminate duplicates Z: 27 40.149 2.030 0.839 0.932 1.000 0.692 CB 1.472 27 residues pruned to eliminate duplicates Z: 30 40.018 2.075 0.757 0.824 1.000 0.414 CB 1.540 30 residues pruned to eliminate duplicates Z: 21 30.405 2.093 0.652 0.923 1.000 0.850 CA 1.382 21 residues pruned to eliminate duplicates Z: 23 21.477 1.815 0.700 0.827 0.909 0.818 CA 1.231 23 residues pruned to eliminate duplicates Z: 9 7.367 1.769 0.519 0.787 0.625 0.625 CB 1.205 9 residues pruned to eliminate duplicates Z: 33 24.666 2.034 0.561 0.697 0.906 0.656 CB 1.266 13 residues pruned to eliminate duplicates Z: 26 31.351 1.906 0.633 0.941 1.000 0.760 CA 1.398 26 residues pruned to eliminate duplicates Z: 30 47.078 2.004 1.012 0.936 1.000 0.379 CB 1.510 30 residues pruned to eliminate duplicates 6 1.889 1.447 0.280 0.408 0.600 0.400 CB 0.837 ? Z: 31 22.721 1.833 0.801 0.578 0.933 0.600 CB 1.249 31 residues pruned to eliminate duplicates Z: 27 37.028 2.060 0.808 0.927 0.962 0.692 CA 1.420 25 residues pruned to eliminate duplicates Z: 23 34.002 2.055 0.782 0.891 1.000 0.636 CA 1.422 23 residues pruned to eliminate duplicates Z: 6 3.284 1.381 0.859 0.355 0.800 0.600 N 0.836 Z: 27 38.402 1.908 0.936 0.931 0.962 0.692 CB 1.482 27 residues pruned to eliminate duplicates Z: 29 39.022 1.942 0.965 0.941 1.000 0.321 CB 1.341 29 residues pruned to eliminate duplicates Z: 11 13.077 1.842 0.366 0.710 0.900 0.700 CA 1.509 11 residues pruned to eliminate duplicates Z: 37 35.771 2.000 0.523 0.822 0.944 0.833 CB 1.567 37 residues pruned to eliminate duplicates Z: 10 12.097 1.874 0.546 0.879 0.889 0.444 CB 1.136 10 residues pruned to eliminate duplicates Z: 17 12.855 1.841 0.148 0.711 0.938 0.812 CB 1.340 17 residues pruned to eliminate duplicates Z: 27 28.276 1.867 0.496 0.893 0.962 0.962 CA 1.482 27 residues pruned to eliminate duplicates Z: 8 5.654 1.790 -0.179 0.620 1.000 0.857 CB 1.298 8 residues pruned to eliminate duplicates Z: 29 25.822 1.914 0.425 0.895 0.964 0.857 CA 1.330 29 residues pruned to eliminate duplicates Z: 24 15.113 1.810 0.853 0.592 0.783 0.261 CB 1.099 24 residues pruned to eliminate duplicates Z: 6 2.593 1.433 0.619 0.390 0.600 0.400 C 0.936 Z: 30 23.685 1.887 0.438 0.904 0.966 0.759 CB 1.196 30 residues pruned to eliminate duplicates Z: 29 32.544 2.089 0.333 0.918 0.964 0.893 CA 1.617 29 residues pruned to eliminate duplicates Z: 27 34.492 2.070 0.874 0.906 0.885 0.654 CA 1.402 27 residues pruned to eliminate duplicates Z: 22 19.386 1.788 1.001 0.695 0.810 0.238 CB 1.222 22 residues pruned to eliminate duplicates Z: 9 2.734 1.250 0.158 0.330 0.875 0.625 CB 0.920 7 residues pruned to eliminate duplicates Z: 27 47.235 2.101 1.133 0.963 1.000 0.500 CB 1.413 28 residues pruned to eliminate duplicates Z: 16 14.876 1.968 0.246 0.680 0.933 0.667 CA 1.422 16 residues pruned to eliminate duplicates Z: 36 32.377 2.036 0.664 0.816 0.943 0.743 CA 1.302 36 residues pruned to eliminate duplicates Z: 35 47.797 2.146 1.044 0.821 0.971 0.500 CB 1.458 35 residues pruned to eliminate duplicates Z: 6 3.459 1.371 0.639 0.517 0.800 0.600 N 0.846 Using tripeptides from previous cycle as seeds Z: 14 18.450 2.034 0.765 0.682 0.923 0.462 CA 1.306 14 residues pruned to eliminate duplicates Z: 23 14.976 1.881 0.486 0.550 0.864 0.636 CB 1.260 21 residues pruned to eliminate duplicates Z: 11 17.040 2.056 0.614 0.816 1.000 0.800 CA 1.234 11 residues pruned to eliminate duplicates Z: 48 33.625 2.004 0.449 0.755 0.979 0.830 CA 1.375 48 residues pruned to eliminate duplicates Z: 18 17.301 2.067 0.556 0.583 0.941 0.706 CB 1.281 18 residues pruned to eliminate duplicates Z: 21 16.543 1.962 0.415 0.551 0.950 0.550 CB 1.334 21 residues pruned to eliminate duplicates Z: 20 15.915 1.983 0.455 0.582 0.895 0.632 CB 1.307 20 residues pruned to eliminate duplicates Z: 21 14.040 1.995 0.402 0.569 0.850 0.600 CB 1.235 21 residues pruned to eliminate duplicates Z: 23 14.869 1.902 0.414 0.568 0.955 0.727 CB 1.156 23 residues pruned to eliminate duplicates Z: 20 16.228 1.986 0.495 0.600 0.895 0.579 CB 1.274 23 residues pruned to eliminate duplicates Z: 12 11.075 2.004 0.357 0.659 0.818 0.273 CA 1.294 12 residues pruned to eliminate duplicates Z: 20 14.989 1.995 0.417 0.538 0.895 0.368 CB 1.310 20 residues pruned to eliminate duplicates Z: 21 14.434 1.988 0.452 0.549 0.850 0.400 CB 1.255 21 residues pruned to eliminate duplicates Z: 27 35.390 2.053 0.888 0.860 0.962 0.808 CA 1.369 27 residues pruned to eliminate duplicates Z: 29 34.442 2.061 0.896 0.810 0.929 0.714 CB 1.370 29 residues pruned to eliminate duplicates Z: 30 36.125 2.013 0.913 0.821 0.931 0.828 CB 1.417 30 residues pruned to eliminate duplicates Z: 17 20.706 1.976 0.911 0.816 0.938 0.562 CB 1.111 17 residues pruned to eliminate duplicates Z: 25 38.177 2.097 0.931 0.949 0.958 0.667 CA 1.386 25 residues pruned to eliminate duplicates Z: 27 27.896 2.076 0.709 0.845 0.923 0.692 CA 1.242 27 residues pruned to eliminate duplicates Z: 57 38.118 1.988 0.577 0.797 0.929 0.607 CB 1.349 55 residues pruned to eliminate duplicates Z: 28 37.023 2.027 0.802 0.933 0.926 0.630 CB 1.471 28 residues pruned to eliminate duplicates Z: 66 34.682 1.998 0.631 0.640 0.846 0.554 CB 1.368 66 residues pruned to eliminate duplicates Z: 26 43.374 2.104 1.040 0.919 1.000 0.720 CA 1.424 26 residues pruned to eliminate duplicates Z: 28 42.318 2.113 1.076 0.854 0.926 0.704 CB 1.480 28 residues pruned to eliminate duplicates Z: 46 40.037 2.065 0.762 0.727 0.956 0.600 CB 1.400 46 residues pruned to eliminate duplicates Z: 28 42.299 2.042 0.957 0.913 1.000 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 28 38.158 2.026 1.005 0.843 0.963 0.556 CA 1.398 28 residues pruned to eliminate duplicates Z: 55 41.798 2.004 0.614 0.835 0.981 0.685 CB 1.342 55 residues pruned to eliminate duplicates Z: 29 34.352 2.000 1.049 0.774 0.893 0.571 CB 1.393 29 residues pruned to eliminate duplicates Z: 33 35.595 1.952 0.921 0.780 0.969 0.500 CB 1.354 33 residues pruned to eliminate duplicates Z: 28 42.208 2.100 1.108 0.841 0.926 0.630 CB 1.478 28 residues pruned to eliminate duplicates Z: 27 41.933 2.057 1.007 0.949 0.962 0.462 CA 1.430 27 residues pruned to eliminate duplicates Z: 81 55.789 1.994 0.738 0.818 0.963 0.738 CB 1.419 83 residues pruned to eliminate duplicates Z: 27 42.064 2.062 0.997 0.933 0.962 0.615 CA 1.453 27 residues pruned to eliminate duplicates Z: 62 37.565 1.945 0.657 0.736 0.902 0.672 CB 1.339 62 residues pruned to eliminate duplicates Z: 28 40.814 2.067 0.946 0.881 0.963 0.593 CB 1.468 28 residues pruned to eliminate duplicates Z: 28 40.190 2.077 0.975 0.899 0.926 0.593 CA 1.456 28 residues pruned to eliminate duplicates Z: 49 34.543 2.018 0.600 0.737 0.917 0.583 CB 1.362 49 residues pruned to eliminate duplicates Z: 31 34.850 1.983 0.857 0.880 0.933 0.600 CA 1.342 31 residues pruned to eliminate duplicates Z: 12 9.523 1.811 0.265 0.732 1.000 0.818 CB 1.018 12 residues pruned to eliminate duplicates Z: 16 9.491 1.719 0.382 0.878 0.933 0.800 CB 0.802 16 residues pruned to eliminate duplicates Z: 16 11.312 1.802 0.288 0.888 0.933 0.867 CB 0.972 16 residues pruned to eliminate duplicates Z: 11 11.238 1.861 0.651 0.718 0.900 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 16 13.119 1.795 0.435 0.868 1.000 0.867 CB 0.961 16 residues pruned to eliminate duplicates Z: 16 13.286 1.779 0.491 0.847 1.000 0.933 CB 0.960 16 residues pruned to eliminate duplicates Z: 16 14.949 1.780 0.611 0.907 1.000 0.733 CB 0.957 16 residues pruned to eliminate duplicates Z: 15 13.207 1.788 0.644 0.883 0.929 0.571 CB 0.935 15 residues pruned to eliminate duplicates Z: 16 13.417 1.780 0.475 0.839 1.000 0.800 CB 0.985 16 residues pruned to eliminate duplicates Z: 17 13.929 1.734 0.495 0.860 1.000 0.812 CB 0.987 17 residues pruned to eliminate duplicates Z: 16 12.709 1.777 0.439 0.888 1.000 0.800 CB 0.925 16 residues pruned to eliminate duplicates Z: 17 13.099 1.720 0.507 0.912 0.938 0.875 CB 0.955 17 residues pruned to eliminate duplicates Z: 15 15.195 1.799 0.520 0.908 1.000 0.643 CB 1.054 15 residues pruned to eliminate duplicates Z: 16 12.867 1.785 0.331 0.922 1.000 0.800 CB 0.983 16 residues pruned to eliminate duplicates Z: 10 7.040 1.687 0.385 0.354 1.000 0.556 CA 1.176 10 residues pruned to eliminate duplicates Z: 39 44.230 2.081 0.675 0.854 0.974 0.789 CA 1.561 39 residues pruned to eliminate duplicates Z: 26 32.619 2.053 0.898 0.778 0.920 0.760 CA 1.424 26 residues pruned to eliminate duplicates Z: 41 47.401 2.032 0.864 0.857 1.000 0.775 CB 1.458 41 residues pruned to eliminate duplicates Z: 56 47.073 1.977 0.786 0.835 0.982 0.600 CB 1.371 56 residues pruned to eliminate duplicates Z: 37 35.954 1.994 0.773 0.740 0.917 0.556 CB 1.491 37 residues pruned to eliminate duplicates Z: 78 56.281 2.017 0.946 0.798 0.935 0.390 CB 1.346 78 residues pruned to eliminate duplicates Z: 25 33.639 2.117 0.900 0.761 0.875 0.750 CA 1.547 25 residues pruned to eliminate duplicates Z: 77 53.671 2.028 0.687 0.819 0.974 0.684 CB 1.401 77 residues pruned to eliminate duplicates Z: 25 33.417 2.125 0.878 0.753 0.917 0.625 CA 1.488 25 residues pruned to eliminate duplicates Z: 26 38.097 2.105 0.932 0.802 0.960 0.680 CB 1.499 26 residues pruned to eliminate duplicates Z: 38 42.467 2.070 0.982 0.782 0.946 0.622 CB 1.403 38 residues pruned to eliminate duplicates Z: 79 58.605 2.022 0.872 0.839 0.974 0.615 CB 1.344 79 residues pruned to eliminate duplicates Z: 82 60.257 2.012 0.876 0.865 0.951 0.593 CB 1.367 79 residues pruned to eliminate duplicates Z: 22 26.258 2.022 1.026 0.811 0.810 0.571 CB 1.317 22 residues pruned to eliminate duplicates Z: 26 29.084 2.058 1.077 0.690 0.880 0.360 CB 1.298 26 residues pruned to eliminate duplicates Z: 33 42.030 2.030 1.081 0.818 0.969 0.531 CB 1.378 33 residues pruned to eliminate duplicates Z: 12 23.623 2.040 0.974 0.875 1.000 0.455 CB 1.286 12 residues pruned to eliminate duplicates Z: 79 56.969 2.009 0.881 0.838 0.949 0.474 CB 1.345 79 residues pruned to eliminate duplicates Z: 25 43.826 2.130 1.183 0.756 0.958 0.667 CB 1.599 25 residues pruned to eliminate duplicates Z: 22 43.495 2.111 1.200 0.923 1.000 0.667 CB 1.436 22 residues pruned to eliminate duplicates Z: 23 39.830 2.015 1.214 0.917 1.000 0.591 CB 1.343 23 residues pruned to eliminate duplicates Z: 54 41.933 1.939 0.904 0.779 0.925 0.491 CB 1.319 54 residues pruned to eliminate duplicates Z: 35 38.413 2.028 0.608 0.791 0.971 0.706 CA 1.612 35 residues pruned to eliminate duplicates Z: 74 60.308 2.067 0.791 0.771 0.973 0.630 CB 1.543 74 residues pruned to eliminate duplicates Z: 68 59.190 2.054 0.780 0.841 0.970 0.493 CB 1.521 68 residues pruned to eliminate duplicates Z: 68 62.815 2.072 0.877 0.839 0.955 0.493 CB 1.543 68 residues pruned to eliminate duplicates Z: 33 46.226 2.087 0.868 0.847 0.969 0.688 CA 1.607 33 residues pruned to eliminate duplicates Z: 67 67.332 2.090 0.942 0.846 0.985 0.561 CB 1.540 66 residues pruned to eliminate duplicates Z: 28 45.251 2.108 0.722 0.951 1.000 0.741 CB 1.653 28 residues pruned to eliminate duplicates Z: 66 57.067 2.046 0.853 0.789 0.954 0.415 CB 1.519 66 residues pruned to eliminate duplicates Z: 67 63.307 2.085 0.912 0.832 0.955 0.470 CB 1.537 67 residues pruned to eliminate duplicates Z: 69 64.269 2.057 0.943 0.817 0.985 0.485 CB 1.502 69 residues pruned to eliminate duplicates Z: 29 49.420 2.081 0.918 0.939 1.000 0.571 CB 1.626 30 residues pruned to eliminate duplicates Z: 24 46.911 2.119 0.978 0.924 1.000 0.522 CA 1.639 24 residues pruned to eliminate duplicates Z: 29 45.337 2.079 0.918 0.905 0.964 0.607 CB 1.587 29 residues pruned to eliminate duplicates Z: 35 43.218 2.045 0.830 0.784 0.941 0.559 CA 1.639 35 residues pruned to eliminate duplicates Z: 33 46.836 2.071 0.955 0.821 0.969 0.344 CB 1.598 32 residues pruned to eliminate duplicates Z: 28 48.236 2.109 0.838 0.956 1.000 0.444 CB 1.644 28 residues pruned to eliminate duplicates Z: 68 57.723 2.050 0.824 0.833 0.925 0.403 CB 1.529 68 residues pruned to eliminate duplicates Z: 66 65.390 2.085 0.966 0.847 0.969 0.308 CB 1.516 66 residues pruned to eliminate duplicates Z: 41 39.380 1.970 0.897 0.721 0.925 0.475 CB 1.475 41 residues pruned to eliminate duplicates Z: 43 48.069 2.021 1.026 0.813 0.929 0.429 CB 1.486 43 residues pruned to eliminate duplicates Z: 65 57.867 2.035 0.929 0.779 0.953 0.375 CB 1.511 65 residues pruned to eliminate duplicates Z: 42 38.335 1.921 1.030 0.697 0.902 0.463 CB 1.421 42 residues pruned to eliminate duplicates Z: 65 54.833 2.018 0.914 0.763 0.922 0.359 CB 1.524 65 residues pruned to eliminate duplicates Z: 69 60.731 2.053 0.916 0.823 0.956 0.441 CB 1.481 69 residues pruned to eliminate duplicates Z: 7 2.490 1.528 0.089 0.148 0.833 0.333 CB 1.132 3 residues pruned to eliminate duplicates Z: 30 48.605 2.039 1.009 0.920 0.966 0.552 CB 1.607 34 residues pruned to eliminate duplicates Z: 14 20.104 2.037 0.563 0.861 1.000 0.923 CA 1.287 14 residues pruned to eliminate duplicates Z: 14 18.354 2.023 0.485 0.875 1.000 0.923 CB 1.233 14 residues pruned to eliminate duplicates Z: 18 20.890 1.911 0.686 0.756 1.000 0.824 CB 1.252 16 residues pruned to eliminate duplicates Z: 15 22.332 2.021 0.624 0.884 1.000 0.571 CB 1.313 17 residues pruned to eliminate duplicates Z: 17 20.442 1.834 0.913 0.764 1.000 0.562 CA 1.153 17 residues pruned to eliminate duplicates Z: 15 21.810 2.031 0.751 0.823 0.929 0.500 CB 1.334 16 residues pruned to eliminate duplicates Z: 15 22.609 2.006 0.717 0.825 1.000 0.500 CB 1.324 15 residues pruned to eliminate duplicates Z: 17 19.478 1.952 0.558 0.759 1.000 0.812 CB 1.272 17 residues pruned to eliminate duplicates Z: 16 19.271 1.995 0.537 0.812 1.000 0.867 CB 1.237 16 residues pruned to eliminate duplicates Z: 16 21.767 2.000 0.645 0.827 1.000 0.800 CB 1.286 16 residues pruned to eliminate duplicates Z: 15 25.398 2.057 0.707 0.884 1.000 0.857 CA 1.397 15 residues pruned to eliminate duplicates Z: 18 21.011 1.914 0.629 0.808 1.000 0.882 CB 1.250 17 residues pruned to eliminate duplicates Z: 15 22.196 2.035 0.502 0.908 1.000 0.929 CA 1.378 15 residues pruned to eliminate duplicates Z: 16 22.777 1.960 0.762 0.791 1.000 0.600 CA 1.319 16 residues pruned to eliminate duplicates Z: 33 38.864 2.135 0.544 0.819 0.969 0.875 CB 1.631 33 residues pruned to eliminate duplicates Z: 60 48.356 2.044 0.726 0.735 0.932 0.831 CA 1.550 60 residues pruned to eliminate duplicates Z: 35 36.974 2.084 0.632 0.773 0.941 0.765 CB 1.557 35 residues pruned to eliminate duplicates Z: 27 22.925 2.081 0.423 0.585 0.923 0.731 CB 1.516 27 residues pruned to eliminate duplicates Z: 21 19.505 2.098 0.420 0.664 0.800 0.700 CA 1.572 21 residues pruned to eliminate duplicates Z: 32 41.864 2.144 0.689 0.833 0.968 0.742 CA 1.610 32 residues pruned to eliminate duplicates Z: 41 34.345 2.055 0.569 0.679 0.950 0.775 CB 1.504 45 residues pruned to eliminate duplicates Z: 35 39.542 2.059 0.557 0.868 0.971 0.735 CA 1.594 35 residues pruned to eliminate duplicates Z: 36 30.143 2.044 0.490 0.767 0.857 0.771 CB 1.541 36 residues pruned to eliminate duplicates Z: 32 38.300 2.126 0.594 0.850 0.968 0.774 CB 1.554 32 residues pruned to eliminate duplicates Z: 37 42.150 2.101 0.569 0.844 1.000 0.750 CB 1.586 37 residues pruned to eliminate duplicates Z: 30 41.839 2.168 0.629 0.876 1.000 0.793 CB 1.598 30 residues pruned to eliminate duplicates Z: 31 41.760 2.145 0.715 0.866 0.967 0.733 CB 1.570 37 residues pruned to eliminate duplicates Z: 24 24.803 1.907 0.492 0.854 0.957 0.565 CB 1.404 24 residues pruned to eliminate duplicates Z: 32 40.109 2.110 0.654 0.843 1.000 0.710 CB 1.537 32 residues pruned to eliminate duplicates Z: 31 40.234 2.157 0.630 0.876 1.000 0.667 CB 1.518 31 residues pruned to eliminate duplicates Z: 31 42.111 2.149 0.699 0.873 1.000 0.700 CB 1.534 31 residues pruned to eliminate duplicates Z: 31 45.321 2.158 0.843 0.865 1.000 0.767 CB 1.524 31 residues pruned to eliminate duplicates Z: 34 35.108 2.069 0.726 0.792 0.939 0.636 CB 1.409 34 residues pruned to eliminate duplicates Z: 32 41.919 2.115 0.770 0.850 0.968 0.645 CB 1.540 32 residues pruned to eliminate duplicates Z: 33 37.612 2.069 0.806 0.842 0.906 0.438 CB 1.464 33 residues pruned to eliminate duplicates Z: 42 36.008 2.054 0.728 0.672 0.902 0.512 CB 1.497 42 residues pruned to eliminate duplicates Z: 32 40.897 2.132 0.739 0.833 0.968 0.774 CB 1.536 32 residues pruned to eliminate duplicates Z: 23 25.963 2.030 0.623 0.813 0.864 0.682 CA 1.481 23 residues pruned to eliminate duplicates Z: 38 37.131 2.101 0.604 0.751 1.000 0.676 CB 1.448 38 residues pruned to eliminate duplicates Z: 39 39.224 2.052 0.671 0.786 0.974 0.553 CB 1.482 39 residues pruned to eliminate duplicates Z: 33 38.630 2.106 0.693 0.812 0.969 0.531 CB 1.506 33 residues pruned to eliminate duplicates Z: 34 37.097 2.083 0.743 0.777 0.939 0.606 CB 1.482 34 residues pruned to eliminate duplicates Z: 32 40.814 2.120 0.770 0.818 0.968 0.355 CB 1.532 32 residues pruned to eliminate duplicates Z: 32 37.462 2.105 0.728 0.831 0.968 0.452 CB 1.436 32 residues pruned to eliminate duplicates Z: 39 39.147 2.054 0.697 0.791 0.947 0.447 CB 1.490 39 residues pruned to eliminate duplicates Z: 39 43.850 2.027 0.934 0.821 0.947 0.289 CB 1.449 39 residues pruned to eliminate duplicates Z: 66 60.435 2.100 0.718 0.844 0.954 0.662 CB 1.621 66 residues pruned to eliminate duplicates Z: 67 60.134 2.069 0.833 0.794 0.939 0.621 CA 1.605 67 residues pruned to eliminate duplicates Z: 70 53.363 2.027 0.706 0.783 0.942 0.652 CB 1.537 70 residues pruned to eliminate duplicates Z: 29 30.822 2.006 0.625 0.722 0.964 0.786 CA 1.516 29 residues pruned to eliminate duplicates Z: 53 44.891 2.051 0.666 0.847 0.981 0.769 CA 1.380 53 residues pruned to eliminate duplicates Z: 26 26.110 1.842 0.817 0.858 0.880 0.480 CB 1.306 26 residues pruned to eliminate duplicates Z: 52 46.682 2.064 0.665 0.867 0.961 0.745 CA 1.449 52 residues pruned to eliminate duplicates Z: 14 11.767 1.737 0.772 0.714 0.769 0.231 CB 1.135 14 residues pruned to eliminate duplicates Z: 53 46.349 2.059 0.658 0.846 0.981 0.654 CA 1.427 53 residues pruned to eliminate duplicates Z: 47 46.494 2.094 0.706 0.841 0.978 0.804 CA 1.463 47 residues pruned to eliminate duplicates Z: 21 17.776 1.814 0.738 0.668 0.900 0.550 CB 1.199 21 residues pruned to eliminate duplicates Z: 50 52.876 2.083 0.828 0.857 0.980 0.714 CB 1.492 50 residues pruned to eliminate duplicates Z: 51 51.196 2.052 0.823 0.878 0.960 0.640 CB 1.462 51 residues pruned to eliminate duplicates Z: 49 54.920 2.097 0.848 0.857 1.000 0.708 CA 1.507 49 residues pruned to eliminate duplicates Z: 40 46.137 2.116 0.923 0.819 0.949 0.692 CB 1.451 40 residues pruned to eliminate duplicates Z: 50 52.283 2.091 0.836 0.861 0.959 0.653 CB 1.491 50 residues pruned to eliminate duplicates Z: 45 50.254 2.136 0.813 0.833 0.977 0.659 CA 1.501 45 residues pruned to eliminate duplicates Z: 45 44.441 2.115 0.735 0.830 0.955 0.659 CA 1.438 45 residues pruned to eliminate duplicates Z: 50 55.437 2.091 0.893 0.865 0.980 0.673 CB 1.497 50 residues pruned to eliminate duplicates Z: 46 49.071 2.115 0.789 0.823 0.978 0.622 CA 1.494 46 residues pruned to eliminate duplicates Z: 49 44.659 2.045 0.846 0.766 0.938 0.646 CB 1.438 49 residues pruned to eliminate duplicates Z: 50 53.133 2.065 0.852 0.859 0.980 0.694 CA 1.492 50 residues pruned to eliminate duplicates Z: 42 43.483 2.094 0.856 0.842 0.902 0.610 CA 1.442 42 residues pruned to eliminate duplicates Z: 48 47.453 2.073 0.844 0.809 0.936 0.532 CA 1.478 48 residues pruned to eliminate duplicates Z: 46 48.246 2.109 0.772 0.852 0.956 0.644 CA 1.489 46 residues pruned to eliminate duplicates Z: 50 47.825 2.076 0.874 0.787 0.918 0.633 CB 1.486 50 residues pruned to eliminate duplicates Z: 46 49.368 2.116 0.827 0.825 0.933 0.556 CB 1.539 46 residues pruned to eliminate duplicates Z: 51 48.569 2.068 0.858 0.842 0.900 0.620 CB 1.479 51 residues pruned to eliminate duplicates Z: 46 49.824 2.121 0.812 0.840 0.978 0.689 CA 1.476 46 residues pruned to eliminate duplicates Z: 47 51.239 2.117 0.877 0.824 0.957 0.587 CA 1.501 47 residues pruned to eliminate duplicates Z: 37 44.057 2.093 0.897 0.826 0.944 0.500 CB 1.477 37 residues pruned to eliminate duplicates Z: 49 50.427 2.077 0.857 0.805 0.958 0.521 CA 1.509 49 residues pruned to eliminate duplicates Z: 51 49.384 2.054 0.790 0.844 0.960 0.640 CA 1.473 51 residues pruned to eliminate duplicates Z: 48 56.166 2.100 0.917 0.880 0.979 0.553 CB 1.507 48 residues pruned to eliminate duplicates Z: 48 53.470 2.098 0.916 0.866 0.957 0.617 CB 1.483 48 residues pruned to eliminate duplicates Z: 50 51.015 2.065 0.871 0.805 0.939 0.449 CA 1.539 50 residues pruned to eliminate duplicates Z: 55 45.647 1.985 0.844 0.737 0.963 0.537 CB 1.424 55 residues pruned to eliminate duplicates Z: 38 42.183 2.079 0.904 0.806 0.919 0.459 CB 1.460 38 residues pruned to eliminate duplicates Z: 46 53.048 2.118 0.879 0.831 1.000 0.467 CA 1.493 46 residues pruned to eliminate duplicates Z: 38 41.909 2.061 0.852 0.790 0.946 0.541 CA 1.479 38 residues pruned to eliminate duplicates Z: 44 51.130 2.107 0.849 0.789 1.000 0.605 CB 1.552 44 residues pruned to eliminate duplicates Z: 45 43.081 2.039 0.893 0.785 0.909 0.568 CB 1.440 45 residues pruned to eliminate duplicates Z: 48 51.449 2.098 0.876 0.874 0.957 0.511 CB 1.450 48 residues pruned to eliminate duplicates Z: 46 50.705 2.090 0.877 0.834 0.978 0.400 CA 1.477 46 residues pruned to eliminate duplicates Z: 48 48.456 2.074 0.970 0.811 0.936 0.383 CB 1.409 48 residues pruned to eliminate duplicates Z: 48 45.999 2.068 0.905 0.798 0.915 0.426 CB 1.434 48 residues pruned to eliminate duplicates Z: 19 27.208 1.913 0.863 0.870 0.944 0.333 CB 1.391 19 residues pruned to eliminate duplicates Z: 46 53.675 2.081 0.999 0.855 1.000 0.444 CB 1.419 46 residues pruned to eliminate duplicates Z: 46 54.866 2.103 1.012 0.854 0.978 0.444 CB 1.460 46 residues pruned to eliminate duplicates Z: 42 47.623 2.087 0.918 0.813 1.000 0.244 CB 1.415 42 residues pruned to eliminate duplicates Z: 52 47.147 2.048 0.964 0.842 0.882 0.412 CB 1.386 52 residues pruned to eliminate duplicates Z: 13 23.581 1.959 0.947 0.782 0.917 0.167 CB 1.519 13 residues pruned to eliminate duplicates Z: 51 53.785 2.079 0.943 0.864 0.960 0.460 CB 1.438 51 residues pruned to eliminate duplicates Z: 52 49.113 2.020 1.068 0.849 0.902 0.412 CB 1.353 52 residues pruned to eliminate duplicates Z: 52 47.639 2.040 0.960 0.840 0.902 0.294 CB 1.380 52 residues pruned to eliminate duplicates Z: 48 53.841 2.081 0.989 0.882 0.957 0.340 CB 1.433 48 residues pruned to eliminate duplicates Z: 52 48.800 2.041 0.957 0.835 0.922 0.333 CB 1.391 52 residues pruned to eliminate duplicates Z: 44 36.314 2.022 0.880 0.699 0.860 0.233 CB 1.412 44 residues pruned to eliminate duplicates Z: 7 5.700 1.635 0.558 0.436 0.833 0.167 CB 1.171 7 residues pruned to eliminate duplicates Z: 6 5.622 1.574 0.575 0.401 1.000 0.600 CB 1.126 6 residues pruned to eliminate duplicates Z: 7 5.727 1.643 0.310 0.498 0.833 0.667 CB 1.306 6 residues pruned to eliminate duplicates Z: 25 20.960 1.960 0.193 0.908 1.000 0.833 CB 1.299 25 residues pruned to eliminate duplicates Z: 19 13.595 1.812 0.587 0.628 0.889 0.444 CB 1.111 19 residues pruned to eliminate duplicates Z: 54 46.163 1.999 0.769 0.864 0.962 0.604 CB 1.366 54 residues pruned to eliminate duplicates Z: 30 23.982 1.901 0.381 0.833 1.000 0.621 CB 1.272 30 residues pruned to eliminate duplicates Z: 74 49.882 1.980 0.732 0.772 0.945 0.575 CB 1.416 74 residues pruned to eliminate duplicates Z: 29 22.557 1.930 0.362 0.842 0.964 0.679 CB 1.253 29 residues pruned to eliminate duplicates Z: 40 40.447 2.001 0.916 0.840 0.949 0.615 CB 1.329 40 residues pruned to eliminate duplicates Z: 62 36.674 1.988 0.589 0.747 0.951 0.672 CB 1.253 62 residues pruned to eliminate duplicates Z: 56 39.996 1.974 0.556 0.872 0.982 0.691 CB 1.303 56 residues pruned to eliminate duplicates Z: 30 20.794 1.879 0.388 0.823 0.931 0.655 CB 1.202 30 residues pruned to eliminate duplicates Z: 54 37.593 1.936 0.606 0.805 0.962 0.679 CB 1.323 54 residues pruned to eliminate duplicates Z: 31 25.346 1.884 0.588 0.789 0.967 0.633 CB 1.242 31 residues pruned to eliminate duplicates Z: 75 42.426 2.007 0.646 0.750 0.905 0.541 CB 1.320 75 residues pruned to eliminate duplicates Z: 58 40.235 1.951 0.603 0.853 0.965 0.667 CB 1.305 58 residues pruned to eliminate duplicates Z: 54 44.997 1.980 0.890 0.815 0.943 0.453 CB 1.331 54 residues pruned to eliminate duplicates Z: 14 18.136 1.963 0.492 0.839 0.923 0.769 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 17.823 2.026 0.301 0.891 1.000 1.000 CB 1.404 13 residues pruned to eliminate duplicates Z: 58 44.442 1.965 0.806 0.820 0.947 0.561 CB 1.326 58 residues pruned to eliminate duplicates Z: 22 18.839 1.923 0.436 0.791 0.905 0.571 CB 1.275 22 residues pruned to eliminate duplicates Z: 13 18.060 1.991 0.464 0.832 1.000 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 40 35.112 2.078 0.568 0.682 0.923 0.744 CA 1.582 40 residues pruned to eliminate duplicates Z: 13 10.480 1.831 0.488 0.319 0.917 0.500 CA 1.479 Z: 6 5.843 1.632 0.307 0.378 1.000 0.600 C 1.395 6 residues pruned to eliminate duplicates Z: 7 6.778 1.619 0.574 0.459 1.000 0.333 CB 1.132 6 residues pruned to eliminate duplicates Z: 27 33.417 1.886 0.797 0.926 1.000 0.654 CA 1.355 27 residues pruned to eliminate duplicates Z: 27 29.981 1.901 0.599 0.913 1.000 0.808 CA 1.368 27 residues pruned to eliminate duplicates Z: 27 31.243 1.908 0.665 0.895 0.962 0.808 CA 1.438 27 residues pruned to eliminate duplicates Z: 27 31.048 1.915 0.624 0.896 0.962 0.731 CA 1.459 27 residues pruned to eliminate duplicates Z: 28 34.798 1.886 0.743 0.897 1.000 0.741 CA 1.459 28 residues pruned to eliminate duplicates Z: 27 33.062 1.903 0.763 0.889 0.962 0.808 CA 1.448 27 residues pruned to eliminate duplicates Z: 27 32.198 1.910 0.712 0.889 1.000 0.654 CA 1.390 27 residues pruned to eliminate duplicates Z: 29 32.048 1.858 0.805 0.849 0.964 0.714 CA 1.388 29 residues pruned to eliminate duplicates Z: 28 30.585 1.853 0.866 0.833 0.926 0.778 CA 1.380 28 residues pruned to eliminate duplicates Z: 29 28.654 1.812 0.861 0.804 0.893 0.500 CA 1.379 29 residues pruned to eliminate duplicates Z: 28 32.319 1.855 0.875 0.839 0.926 0.444 CB 1.443 28 residues pruned to eliminate duplicates Z: 27 32.080 1.893 0.774 0.895 1.000 0.423 CB 1.343 27 residues pruned to eliminate duplicates Z: 18 24.706 1.800 0.859 0.873 0.941 0.647 CB 1.386 18 residues pruned to eliminate duplicates Z: 30 31.710 1.823 0.772 0.824 1.000 0.586 CB 1.378 30 residues pruned to eliminate duplicates Z: 29 33.665 1.832 0.947 0.815 0.964 0.464 CB 1.406 29 residues pruned to eliminate duplicates Z: 30 30.712 1.835 0.784 0.814 0.966 0.690 CB 1.374 30 residues pruned to eliminate duplicates Z: 28 36.426 1.871 0.922 0.889 0.963 0.519 CB 1.458 28 residues pruned to eliminate duplicates Z: 18 24.018 1.825 0.667 0.922 0.941 0.588 CB 1.430 18 residues pruned to eliminate duplicates Z: 27 38.987 1.915 0.893 0.921 1.000 0.615 CB 1.484 27 residues pruned to eliminate duplicates Z: 27 38.211 1.900 0.943 0.927 0.962 0.500 CA 1.479 27 residues pruned to eliminate duplicates Z: 27 39.027 1.916 0.903 0.908 1.000 0.538 CB 1.491 27 residues pruned to eliminate duplicates Z: 27 33.974 1.919 0.780 0.884 0.962 0.615 CA 1.465 27 residues pruned to eliminate duplicates Z: 28 31.204 1.836 0.886 0.846 0.926 0.370 CB 1.392 28 residues pruned to eliminate duplicates 297 residues left after pruning, divided into chains as follows: A: 16 B: 100 C: 16 D: 68 E: 56 F: 7 G: 7 H: 27 CC for partial structure against native data = 40.44 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.368, Connect. = 0.700 for dens.mod. cycle 1 = 0.300, Contrast = 0.417, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.494, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.495, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.502, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.504, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.510, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.512, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.515, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.516, Connect. = 0.768 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1683 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 377 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 39.630 2.085 0.595 0.895 1.000 0.897 CA 1.585 B: 29 36.470 2.120 0.439 0.931 1.000 0.893 CA 1.579 29 residues pruned to eliminate duplicates C: 28 33.333 2.036 0.655 0.939 1.000 0.889 CA 1.323 D: 27 26.938 2.060 0.394 0.915 0.962 0.885 CB 1.353 27 residues pruned to eliminate duplicates E: 32 35.480 2.000 0.694 0.858 0.935 0.710 CA 1.481 F: 21 42.112 2.171 1.117 0.939 0.950 0.800 CB 1.498 G: 29 35.662 2.082 0.490 0.917 0.964 0.857 CB 1.590 29 residues pruned to eliminate duplicates H: 23 13.999 1.956 0.433 0.566 0.818 0.545 CB 1.222 I: 31 34.193 2.059 0.484 0.863 0.967 0.800 CA 1.551 32 residues pruned to eliminate duplicates J: 17 21.965 1.866 0.779 0.900 1.000 0.875 CB 1.182 K: 26 32.318 1.995 0.605 0.936 1.000 0.840 CA 1.406 L: 27 31.217 1.947 0.657 0.890 0.962 0.846 CA 1.421 27 residues pruned to eliminate duplicates M: 30 34.731 2.056 0.450 0.888 0.966 0.759 CB 1.614 30 residues pruned to eliminate duplicates N: 16 33.141 2.200 0.592 0.945 1.000 0.867 CB 1.690 16 residues pruned to eliminate duplicates O: 23 36.567 2.059 1.010 0.886 1.000 0.864 CA 1.360 22 residues pruned to eliminate duplicates P: 32 32.313 1.991 0.485 0.862 0.968 0.613 CB 1.489 31 residues pruned to eliminate duplicates Q: 16 23.589 1.936 0.882 0.912 1.000 0.867 CB 1.184 16 residues pruned to eliminate duplicates R: 29 36.104 2.105 0.490 0.931 0.964 0.857 CA 1.577 29 residues pruned to eliminate duplicates S: 32 34.916 2.072 0.418 0.875 1.000 0.742 CB 1.553 24 residues pruned to eliminate duplicates T: 30 41.095 2.118 0.649 0.936 0.966 0.897 CA 1.576 30 residues pruned to eliminate duplicates U: 25 32.113 2.022 0.674 0.924 0.958 0.875 CA 1.420 25 residues pruned to eliminate duplicates V: 21 37.716 2.200 0.816 0.931 1.000 0.900 CA 1.475 21 residues pruned to eliminate duplicates W: 21 24.685 1.981 0.925 0.919 0.900 0.650 CB 1.133 22 residues pruned to eliminate duplicates X: 29 28.355 2.017 0.759 0.903 0.786 0.536 CB 1.370 27 residues pruned to eliminate duplicates Y: 31 38.410 2.001 0.756 0.873 0.967 0.700 CB 1.503 31 residues pruned to eliminate duplicates Z: 28 29.239 1.935 0.868 0.869 0.889 0.481 CB 1.279 Z: 12 20.133 2.144 0.484 0.893 1.000 0.909 CA 1.370 12 residues pruned to eliminate duplicates Z: 17 29.253 2.166 0.405 0.932 1.000 0.938 CB 1.678 17 residues pruned to eliminate duplicates Z: 16 23.413 1.987 0.722 0.884 1.000 0.867 CA 1.276 16 residues pruned to eliminate duplicates Z: 27 36.480 2.001 0.677 0.946 1.000 0.885 CB 1.474 26 residues pruned to eliminate duplicates Z: 31 49.239 2.091 0.830 0.922 1.000 0.733 CA 1.652 31 residues pruned to eliminate duplicates Z: 23 41.036 2.003 1.133 0.926 1.000 0.818 CA 1.436 23 residues pruned to eliminate duplicates Z: 27 36.673 1.968 0.866 0.914 0.923 0.500 CB 1.501 Z: 22 39.567 2.129 1.014 0.944 0.952 0.810 CB 1.464 22 residues pruned to eliminate duplicates Z: 29 52.191 2.094 1.065 0.948 1.000 0.321 CB 1.575 30 residues pruned to eliminate duplicates Z: 18 21.435 2.001 0.392 0.921 0.941 0.765 CB 1.396 Z: 27 33.706 2.071 0.792 0.926 0.885 0.500 CB 1.413 27 residues pruned to eliminate duplicates Z: 17 20.673 1.898 0.683 0.890 1.000 0.875 CB 1.164 17 residues pruned to eliminate duplicates Z: 22 48.969 2.213 0.903 0.953 1.000 0.619 CA 1.747 22 residues pruned to eliminate duplicates Z: 30 31.681 2.022 0.308 0.888 1.000 0.828 CA 1.602 29 residues pruned to eliminate duplicates Z: 29 54.588 2.126 1.081 0.936 1.000 0.429 CB 1.623 30 residues pruned to eliminate duplicates Z: 10 12.752 2.072 0.420 0.892 0.889 0.444 CB 1.167 10 residues pruned to eliminate duplicates Z: 29 33.797 1.965 0.808 0.916 1.000 0.571 CB 1.269 29 residues pruned to eliminate duplicates Z: 29 26.424 1.960 0.570 0.888 0.964 0.786 CA 1.213 28 residues pruned to eliminate duplicates Z: 25 46.494 2.113 0.981 0.881 0.958 0.500 CB 1.713 25 residues pruned to eliminate duplicates Z: 29 39.896 2.143 0.480 0.919 1.000 0.786 CA 1.676 29 residues pruned to eliminate duplicates Z: 20 25.922 1.981 1.058 0.854 0.842 0.526 CA 1.279 20 residues pruned to eliminate duplicates Z: 29 31.305 1.969 0.759 0.943 0.964 0.571 CB 1.227 18 residues pruned to eliminate duplicates Z: 22 39.487 2.063 0.968 0.927 1.000 0.905 CA 1.487 22 residues pruned to eliminate duplicates Z: 29 54.995 2.166 1.013 0.942 0.964 0.357 CB 1.714 29 residues pruned to eliminate duplicates Z: 37 37.544 2.094 0.482 0.839 0.944 0.750 CB 1.596 37 residues pruned to eliminate duplicates Z: 36 40.696 2.032 0.636 0.865 0.971 0.686 CB 1.561 36 residues pruned to eliminate duplicates Z: 24 36.919 1.983 1.053 0.906 0.957 0.652 CB 1.406 24 residues pruned to eliminate duplicates Z: 26 40.396 2.057 0.805 0.953 1.000 0.760 CB 1.498 26 residues pruned to eliminate duplicates Z: 29 36.181 2.031 0.751 0.893 0.929 0.429 CB 1.486 29 residues pruned to eliminate duplicates Z: 29 47.621 2.166 0.753 0.919 1.000 0.607 CB 1.670 29 residues pruned to eliminate duplicates Z: 29 43.844 2.159 0.683 0.941 0.964 0.643 CA 1.641 29 residues pruned to eliminate duplicates Z: 30 30.257 2.032 0.534 0.893 0.966 0.793 CB 1.341 30 residues pruned to eliminate duplicates Z: 9 11.170 1.943 0.204 0.903 1.000 1.000 CB 1.203 9 residues pruned to eliminate duplicates Z: 10 20.585 2.077 0.827 0.868 1.000 1.000 CB 1.322 10 residues pruned to eliminate duplicates Z: 28 57.388 2.155 1.044 0.961 1.000 0.370 CB 1.716 28 residues pruned to eliminate duplicates Z: 27 37.773 2.055 0.766 0.917 0.962 0.846 CB 1.498 27 residues pruned to eliminate duplicates Z: 24 23.182 1.855 0.867 0.822 0.870 0.435 CA 1.214 24 residues pruned to eliminate duplicates Z: 29 42.141 2.105 0.776 0.883 0.964 0.607 CB 1.598 31 residues pruned to eliminate duplicates Z: 12 21.502 1.938 0.822 0.879 1.000 0.727 CB 1.332 11 residues pruned to eliminate duplicates Z: 22 40.903 2.156 1.039 0.925 0.952 0.905 CA 1.496 22 residues pruned to eliminate duplicates Z: 23 39.939 2.040 1.081 0.926 1.000 0.864 CA 1.407 22 residues pruned to eliminate duplicates Z: 26 32.580 1.997 0.623 0.937 0.960 0.720 CA 1.457 26 residues pruned to eliminate duplicates Z: 28 49.780 2.183 0.767 0.964 1.000 0.630 CA 1.697 28 residues pruned to eliminate duplicates Z: 26 38.345 2.005 0.811 0.943 1.000 0.880 CA 1.464 26 residues pruned to eliminate duplicates Z: 23 33.094 2.027 0.997 0.922 0.955 0.864 CA 1.284 23 residues pruned to eliminate duplicates Z: 28 29.581 1.915 0.887 0.891 0.889 0.630 CA 1.273 28 residues pruned to eliminate duplicates Z: 31 35.490 1.950 0.953 0.898 0.933 0.500 CB 1.304 30 residues pruned to eliminate duplicates Z: 27 35.547 1.974 0.736 0.914 0.962 0.731 CA 1.496 27 residues pruned to eliminate duplicates Z: 28 29.315 1.909 0.565 0.932 0.926 0.889 CA 1.424 28 residues pruned to eliminate duplicates Z: 9 14.133 1.789 0.547 0.856 1.000 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 26 25.262 1.913 0.716 0.864 0.800 0.400 CA 1.411 26 residues pruned to eliminate duplicates Z: 20 24.100 2.012 0.937 0.901 0.842 0.474 CB 1.202 20 residues pruned to eliminate duplicates Z: 30 33.933 1.973 0.738 0.895 1.000 0.862 CB 1.317 31 residues pruned to eliminate duplicates Z: 28 26.191 1.864 0.475 0.939 1.000 1.000 CA 1.274 28 residues pruned to eliminate duplicates Z: 11 16.389 2.019 0.576 0.847 0.900 0.800 CB 1.344 11 residues pruned to eliminate duplicates Z: 27 32.993 1.943 0.689 0.912 1.000 0.808 CA 1.397 27 residues pruned to eliminate duplicates Z: 27 55.241 2.201 0.942 0.959 1.000 0.500 CA 1.736 27 residues pruned to eliminate duplicates Z: 10 20.375 2.026 0.897 0.858 1.000 0.667 CB 1.301 10 residues pruned to eliminate duplicates Z: 27 40.149 1.972 0.880 0.941 0.962 0.577 CA 1.533 27 residues pruned to eliminate duplicates Z: 11 17.108 2.064 0.519 0.860 1.000 0.800 CA 1.269 11 residues pruned to eliminate duplicates Z: 23 32.993 1.991 0.936 0.901 1.000 0.864 CA 1.302 23 residues pruned to eliminate duplicates Z: 29 36.043 2.072 0.571 0.867 1.000 0.536 CB 1.530 29 residues pruned to eliminate duplicates Z: 11 14.222 2.047 0.425 0.854 0.900 0.600 CA 1.266 11 residues pruned to eliminate duplicates Z: 26 38.783 2.083 0.873 0.950 1.000 0.680 CB 1.371 26 residues pruned to eliminate duplicates Z: 26 30.224 2.005 0.669 0.917 1.000 0.720 CA 1.274 26 residues pruned to eliminate duplicates Z: 10 19.474 2.159 0.352 0.893 1.000 0.778 CA 1.596 10 residues pruned to eliminate duplicates Z: 20 15.391 1.907 0.225 0.880 0.895 0.737 CB 1.223 20 residues pruned to eliminate duplicates Z: 11 10.635 1.699 0.375 0.786 0.900 0.900 CA 1.244 11 residues pruned to eliminate duplicates Z: 18 16.790 1.952 0.298 0.898 0.941 0.765 CA 1.222 18 residues pruned to eliminate duplicates Z: 11 18.371 2.021 0.573 0.840 1.000 0.800 CA 1.364 15 residues pruned to eliminate duplicates Z: 30 27.814 1.946 0.700 0.916 0.966 0.552 CB 1.142 30 residues pruned to eliminate duplicates Z: 11 13.761 2.041 0.293 0.844 1.000 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 27 31.142 1.938 0.633 0.898 0.962 0.808 CA 1.436 27 residues pruned to eliminate duplicates Z: 31 42.040 2.039 0.719 0.924 0.967 0.667 CB 1.590 31 residues pruned to eliminate duplicates Z: 25 31.731 2.007 0.664 0.938 0.958 0.833 CA 1.407 25 residues pruned to eliminate duplicates Z: 10 14.540 1.997 0.660 0.919 1.000 0.444 CB 1.031 10 residues pruned to eliminate duplicates Z: 22 24.790 1.970 0.952 0.846 0.857 0.476 CA 1.219 22 residues pruned to eliminate duplicates Z: 29 38.413 1.992 1.135 0.877 0.893 0.607 CB 1.388 27 residues pruned to eliminate duplicates Z: 30 52.731 2.120 0.962 0.950 1.000 0.621 CB 1.624 30 residues pruned to eliminate duplicates Z: 24 33.092 2.097 0.679 0.955 1.000 0.870 CA 1.346 24 residues pruned to eliminate duplicates Z: 33 36.564 2.068 0.624 0.828 0.938 0.688 CB 1.546 33 residues pruned to eliminate duplicates Z: 26 46.910 2.140 0.937 0.937 1.000 0.480 CB 1.575 29 residues pruned to eliminate duplicates Z: 16 15.059 1.779 0.417 0.910 1.000 0.800 CB 1.094 Z: 19 14.539 1.686 0.498 0.895 1.000 0.778 CB 0.973 18 residues pruned to eliminate duplicates Z: 30 45.863 2.081 0.796 0.895 1.000 0.517 CA 1.634 30 residues pruned to eliminate duplicates Z: 9 10.549 2.069 0.354 0.886 1.000 0.250 CB 0.961 9 residues pruned to eliminate duplicates Z: 15 19.592 1.908 0.547 0.932 0.929 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 22 31.854 2.058 0.615 0.941 1.000 0.952 CA 1.452 22 residues pruned to eliminate duplicates Z: 18 31.108 2.134 0.851 0.899 0.882 0.824 CA 1.547 18 residues pruned to eliminate duplicates Z: 29 36.722 2.036 0.878 0.872 0.929 0.393 CB 1.425 29 residues pruned to eliminate duplicates Z: 28 33.775 1.929 0.752 0.878 0.963 0.741 CA 1.449 28 residues pruned to eliminate duplicates Z: 27 35.187 1.962 0.875 0.910 0.885 0.462 CB 1.504 27 residues pruned to eliminate duplicates Z: 16 17.237 1.994 0.242 0.900 0.933 0.933 CA 1.376 16 residues pruned to eliminate duplicates Z: 19 14.967 2.000 0.392 0.620 0.889 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 8 15.092 2.051 0.529 0.846 1.000 1.000 CB 1.352 8 residues pruned to eliminate duplicates Z: 28 38.167 1.929 0.861 0.910 1.000 0.667 CA 1.451 28 residues pruned to eliminate duplicates Z: 27 26.186 1.959 0.437 0.915 1.000 0.846 CA 1.289 27 residues pruned to eliminate duplicates Z: 10 18.010 1.882 0.727 0.855 0.889 0.667 CA 1.533 10 residues pruned to eliminate duplicates Z: 27 38.139 2.042 0.965 0.941 0.923 0.500 CB 1.402 27 residues pruned to eliminate duplicates Z: 23 30.483 1.912 0.805 0.928 0.955 0.773 CA 1.382 23 residues pruned to eliminate duplicates Z: 37 35.839 2.062 0.440 0.847 0.944 0.750 CA 1.581 37 residues pruned to eliminate duplicates Z: 26 33.367 2.021 0.586 0.948 1.000 0.880 CA 1.437 26 residues pruned to eliminate duplicates Z: 9 3.019 1.662 0.327 0.432 0.750 0.375 CB 0.693 Z: 28 35.868 1.924 0.946 0.891 0.926 0.704 CA 1.432 28 residues pruned to eliminate duplicates Z: 28 31.648 1.874 0.705 0.911 1.000 0.815 CA 1.350 28 residues pruned to eliminate duplicates Z: 29 46.582 2.140 0.671 0.948 1.000 0.714 CB 1.700 29 residues pruned to eliminate duplicates Z: 28 32.510 1.891 0.744 0.898 0.926 0.444 CA 1.465 28 residues pruned to eliminate duplicates Z: 15 13.049 1.746 0.595 0.800 0.929 0.500 CB 1.037 14 residues pruned to eliminate duplicates Z: 11 14.590 1.736 0.588 0.809 0.900 0.500 CB 1.422 11 residues pruned to eliminate duplicates Z: 27 30.845 1.944 0.713 0.905 0.923 0.654 CA 1.401 27 residues pruned to eliminate duplicates Z: 27 35.010 2.057 0.717 0.924 0.962 0.615 CA 1.419 28 residues pruned to eliminate duplicates Z: 28 24.512 1.874 0.453 0.888 0.926 0.815 CA 1.348 28 residues pruned to eliminate duplicates Z: 31 22.839 1.878 0.600 0.832 0.933 0.567 CA 1.116 31 residues pruned to eliminate duplicates Z: 29 40.677 2.159 0.492 0.936 0.964 0.821 CA 1.723 29 residues pruned to eliminate duplicates Z: 11 11.234 1.728 0.455 0.720 0.900 0.700 CA 1.287 11 residues pruned to eliminate duplicates Z: 27 34.583 1.970 0.665 0.921 1.000 0.885 CA 1.455 27 residues pruned to eliminate duplicates Z: 37 37.763 2.012 0.581 0.855 0.944 0.694 CB 1.546 37 residues pruned to eliminate duplicates Z: 22 43.511 2.101 1.148 0.906 1.000 0.667 CA 1.497 22 residues pruned to eliminate duplicates Z: 9 6.675 2.081 0.170 0.872 0.625 0.500 CB 1.130 9 residues pruned to eliminate duplicates Z: 16 19.862 1.833 0.685 0.879 1.000 0.600 CB 1.204 16 residues pruned to eliminate duplicates Z: 16 15.015 1.827 0.328 0.891 1.000 0.667 CB 1.149 16 residues pruned to eliminate duplicates Z: 21 35.500 2.076 1.248 0.901 0.950 0.300 CB 1.278 21 residues pruned to eliminate duplicates Z: 27 37.296 1.946 0.868 0.906 0.962 0.423 CB 1.488 27 residues pruned to eliminate duplicates Z: 28 27.037 1.971 0.672 0.942 0.926 0.630 CB 1.182 28 residues pruned to eliminate duplicates Z: 26 43.945 2.043 1.000 0.942 1.000 0.600 CB 1.491 26 residues pruned to eliminate duplicates Z: 30 24.725 1.919 0.395 0.865 0.931 0.793 CB 1.349 31 residues pruned to eliminate duplicates Z: 20 29.436 1.992 0.830 0.870 0.895 0.684 CA 1.511 20 residues pruned to eliminate duplicates Z: 14 17.234 1.916 0.538 0.914 1.000 0.923 CB 1.147 13 residues pruned to eliminate duplicates Z: 29 39.581 1.973 0.885 0.903 1.000 0.500 CB 1.434 29 residues pruned to eliminate duplicates Z: 10 10.230 1.900 0.336 0.848 0.889 0.333 CB 1.121 10 residues pruned to eliminate duplicates Z: 29 23.380 1.960 0.388 0.883 0.929 0.857 CB 1.265 29 residues pruned to eliminate duplicates Z: 26 28.218 1.969 0.540 0.906 1.000 0.880 CA 1.325 26 residues pruned to eliminate duplicates Z: 27 39.552 1.961 0.901 0.929 0.962 0.500 CB 1.515 27 residues pruned to eliminate duplicates Z: 17 15.474 1.777 0.632 0.908 1.000 0.750 CB 0.947 17 residues pruned to eliminate duplicates Z: 19 37.174 2.083 0.876 0.912 1.000 0.667 CB 1.588 19 residues pruned to eliminate duplicates Z: 23 29.367 2.118 0.496 0.919 0.955 0.727 CB 1.459 23 residues pruned to eliminate duplicates Z: 27 24.386 1.958 0.451 0.899 0.962 0.692 CB 1.251 27 residues pruned to eliminate duplicates Z: 22 42.358 2.127 1.157 0.919 1.000 0.857 CB 1.419 22 residues pruned to eliminate duplicates Z: 27 43.082 2.054 1.114 0.938 0.962 0.385 CB 1.407 30 residues pruned to eliminate duplicates Z: 24 21.211 1.959 0.523 0.906 0.913 0.783 CB 1.154 24 residues pruned to eliminate duplicates Z: 17 18.438 2.077 0.416 0.654 1.000 0.625 CB 1.359 21 residues pruned to eliminate duplicates Z: 29 53.409 2.179 0.935 0.928 1.000 0.571 CA 1.676 29 residues pruned to eliminate duplicates Z: 18 36.656 2.196 0.815 0.915 1.000 0.647 CA 1.577 18 residues pruned to eliminate duplicates Z: 9 4.695 1.655 0.321 0.481 0.750 0.500 CB 1.032 Z: 30 31.468 2.063 0.332 0.940 1.000 0.966 CA 1.477 30 residues pruned to eliminate duplicates Z: 27 33.899 1.940 0.799 0.908 0.923 0.346 CB 1.465 27 residues pruned to eliminate duplicates Z: 18 12.381 1.723 0.352 0.898 0.941 0.824 CB 0.980 18 residues pruned to eliminate duplicates Z: 20 34.075 2.046 1.158 0.899 0.895 0.263 CB 1.414 20 residues pruned to eliminate duplicates Z: 27 29.219 1.959 0.477 0.924 1.000 0.923 CA 1.391 27 residues pruned to eliminate duplicates Z: 12 20.129 1.933 0.909 0.826 0.909 0.545 CB 1.364 10 residues pruned to eliminate duplicates Z: 26 22.204 1.918 0.678 0.916 0.880 0.440 CB 1.107 26 residues pruned to eliminate duplicates Z: 30 35.541 2.018 0.555 0.902 0.931 0.517 CB 1.611 30 residues pruned to eliminate duplicates Z: 16 14.363 1.808 0.446 0.918 1.000 0.867 CB 1.000 16 residues pruned to eliminate duplicates Z: 40 41.724 2.056 0.711 0.834 0.949 0.410 CB 1.500 39 residues pruned to eliminate duplicates Z: 23 39.010 2.171 0.704 0.932 1.000 0.727 CB 1.570 23 residues pruned to eliminate duplicates Z: 23 21.731 1.780 0.850 0.841 0.955 0.455 CB 1.099 23 residues pruned to eliminate duplicates Z: 30 41.834 2.083 0.737 0.923 1.000 0.586 CA 1.509 30 residues pruned to eliminate duplicates Z: 17 12.449 1.772 0.359 0.881 0.938 0.750 CB 0.998 17 residues pruned to eliminate duplicates Z: 21 14.169 1.997 0.279 0.603 0.900 0.600 CB 1.250 21 residues pruned to eliminate duplicates Z: 25 39.556 2.123 0.852 0.942 1.000 0.625 CB 1.424 25 residues pruned to eliminate duplicates Z: 29 26.799 1.931 0.566 0.915 0.964 0.857 CB 1.227 29 residues pruned to eliminate duplicates Z: 9 3.729 1.554 0.250 0.476 0.625 0.500 CB 1.113 8 residues pruned to eliminate duplicates Z: 29 40.537 2.144 0.530 0.946 1.000 0.821 CA 1.615 29 residues pruned to eliminate duplicates Z: 22 33.206 2.137 0.730 0.930 1.000 0.905 CA 1.371 22 residues pruned to eliminate duplicates Z: 10 7.928 1.933 0.320 0.435 0.889 0.556 CB 1.246 9 residues pruned to eliminate duplicates Z: 27 32.446 1.970 0.542 0.902 1.000 0.846 CA 1.494 27 residues pruned to eliminate duplicates Z: 28 31.438 2.038 0.650 0.907 0.963 0.667 CB 1.329 27 residues pruned to eliminate duplicates Z: 23 33.838 2.054 1.020 0.886 0.909 0.636 CB 1.380 23 residues pruned to eliminate duplicates Z: 11 11.422 1.717 0.332 0.803 0.900 0.700 CA 1.346 11 residues pruned to eliminate duplicates Z: 27 25.228 1.886 0.441 0.912 1.000 0.885 CA 1.289 27 residues pruned to eliminate duplicates Z: 37 37.029 2.018 0.571 0.809 0.944 0.778 CA 1.574 37 residues pruned to eliminate duplicates Z: 26 21.000 1.931 0.251 0.936 0.960 0.960 CB 1.261 26 residues pruned to eliminate duplicates Z: 16 21.922 1.931 0.703 0.869 1.000 0.800 CB 1.257 16 residues pruned to eliminate duplicates Z: 30 22.387 1.956 0.222 0.917 0.931 0.690 CB 1.318 30 residues pruned to eliminate duplicates Z: 29 33.585 1.964 0.654 0.886 0.929 0.679 CA 1.517 29 residues pruned to eliminate duplicates Z: 12 14.745 1.996 0.460 0.798 0.909 0.727 CA 1.293 12 residues pruned to eliminate duplicates Z: 30 32.474 2.013 0.476 0.881 0.966 0.793 CB 1.522 29 residues pruned to eliminate duplicates Z: 9 16.278 2.118 0.481 0.903 1.000 0.750 CB 1.307 9 residues pruned to eliminate duplicates Z: 29 27.221 1.954 0.717 0.924 0.929 0.571 CB 1.160 29 residues pruned to eliminate duplicates Z: 21 29.858 1.986 0.850 0.895 0.900 0.650 CB 1.447 21 residues pruned to eliminate duplicates Z: 27 38.869 1.966 0.925 0.899 0.962 0.654 CA 1.497 27 residues pruned to eliminate duplicates Z: 24 22.763 1.936 0.469 0.931 0.957 0.696 CB 1.219 24 residues pruned to eliminate duplicates Z: 27 25.900 1.855 0.673 0.807 1.000 0.538 CB 1.252 22 residues pruned to eliminate duplicates Z: 27 41.425 2.004 1.013 0.943 1.000 0.538 CB 1.396 27 residues pruned to eliminate duplicates Z: 21 22.483 1.986 0.688 0.828 0.900 0.650 CA 1.255 21 residues pruned to eliminate duplicates Z: 29 27.279 1.884 0.772 0.889 0.929 0.607 CA 1.198 29 residues pruned to eliminate duplicates Z: 28 44.309 2.016 0.937 0.938 1.000 0.741 CB 1.519 28 residues pruned to eliminate duplicates Z: 28 26.566 1.962 0.798 0.854 0.852 0.593 CA 1.256 28 residues pruned to eliminate duplicates Z: 12 11.748 1.744 0.343 0.792 0.909 0.364 CB 1.287 12 residues pruned to eliminate duplicates Z: 21 15.489 2.027 0.312 0.598 0.900 0.350 CB 1.318 19 residues pruned to eliminate duplicates Z: 26 26.295 2.002 0.553 0.933 1.000 0.960 CA 1.181 26 residues pruned to eliminate duplicates Z: 10 11.947 1.974 0.636 0.917 0.889 0.222 CB 0.979 10 residues pruned to eliminate duplicates Z: 18 18.726 2.078 0.276 0.757 0.882 0.588 CA 1.544 18 residues pruned to eliminate duplicates Z: 14 19.218 1.949 0.633 0.904 1.000 0.846 CB 1.193 14 residues pruned to eliminate duplicates Z: 19 15.941 2.113 0.315 0.569 0.944 0.556 CB 1.340 19 residues pruned to eliminate duplicates Z: 22 26.430 1.855 0.974 0.926 0.952 0.381 CB 1.160 22 residues pruned to eliminate duplicates Z: 37 38.918 2.084 0.606 0.841 0.944 0.639 CB 1.530 37 residues pruned to eliminate duplicates Z: 28 31.042 1.893 0.634 0.933 0.963 0.741 CA 1.400 27 residues pruned to eliminate duplicates Z: 23 33.382 2.018 0.748 0.926 1.000 0.909 CB 1.415 23 residues pruned to eliminate duplicates Z: 31 22.817 1.872 0.448 0.770 0.933 0.833 CB 1.296 31 residues pruned to eliminate duplicates Z: 28 34.496 2.042 0.679 0.933 0.963 0.556 CA 1.403 28 residues pruned to eliminate duplicates Z: 25 32.231 1.893 0.876 0.938 0.917 0.500 CA 1.406 25 residues pruned to eliminate duplicates Z: 30 23.308 1.940 0.446 0.902 0.966 0.793 CB 1.140 30 residues pruned to eliminate duplicates Z: 12 11.791 1.800 0.453 0.830 1.000 0.455 CB 1.022 12 residues pruned to eliminate duplicates Z: 31 41.179 2.007 0.893 0.887 1.000 0.333 CB 1.427 31 residues pruned to eliminate duplicates Z: 41 39.728 2.021 0.762 0.783 0.975 0.550 CB 1.410 41 residues pruned to eliminate duplicates Z: 29 30.503 2.011 0.407 0.902 0.964 0.857 CA 1.507 29 residues pruned to eliminate duplicates Z: 25 20.191 1.887 0.382 0.936 1.000 0.958 CA 1.100 25 residues pruned to eliminate duplicates Z: 29 26.729 1.998 0.362 0.888 1.000 0.786 CA 1.337 32 residues pruned to eliminate duplicates Z: 30 20.961 1.928 0.333 0.910 0.966 0.724 CB 1.113 30 residues pruned to eliminate duplicates Z: 28 36.162 2.025 0.777 0.924 1.000 0.667 CB 1.358 29 residues pruned to eliminate duplicates Z: 29 13.880 1.833 0.387 0.461 0.857 0.357 CB 1.253 25 residues pruned to eliminate duplicates Z: 26 31.500 1.951 0.872 0.914 0.800 0.320 CA 1.525 26 residues pruned to eliminate duplicates Z: 26 40.200 2.073 0.969 0.940 0.960 0.560 CA 1.425 26 residues pruned to eliminate duplicates Z: 29 28.527 1.982 0.532 0.922 0.964 0.607 CB 1.294 29 residues pruned to eliminate duplicates Z: 15 17.676 1.840 0.805 0.891 1.000 0.571 CB 1.023 15 residues pruned to eliminate duplicates Z: 24 27.973 1.851 0.814 0.930 1.000 0.348 CA 1.215 24 residues pruned to eliminate duplicates Z: 54 36.890 1.958 0.555 0.886 0.962 0.887 CA 1.249 55 residues pruned to eliminate duplicates Z: 30 29.348 1.910 0.821 0.894 0.966 0.448 CB 1.164 30 residues pruned to eliminate duplicates Z: 27 39.802 2.077 0.911 0.941 0.962 0.538 CB 1.420 27 residues pruned to eliminate duplicates Z: 11 16.974 2.069 0.487 0.823 1.000 0.700 CA 1.319 11 residues pruned to eliminate duplicates Z: 28 27.882 1.925 0.738 0.896 0.926 0.593 CA 1.241 28 residues pruned to eliminate duplicates Z: 16 14.988 1.836 0.370 0.872 1.000 0.733 CB 1.121 16 residues pruned to eliminate duplicates Z: 50 50.054 2.079 0.857 0.758 0.939 0.408 CB 1.569 52 residues pruned to eliminate duplicates Z: 9 22.580 2.126 0.592 0.912 1.000 1.000 CB 1.670 9 residues pruned to eliminate duplicates Z: 13 24.060 1.939 0.871 0.882 1.000 0.833 CA 1.385 13 residues pruned to eliminate duplicates Z: 26 36.237 1.924 0.937 0.921 0.960 0.400 CA 1.425 26 residues pruned to eliminate duplicates Z: 29 28.095 1.984 0.530 0.921 0.964 0.607 CB 1.277 29 residues pruned to eliminate duplicates Z: 14 6.392 1.810 0.115 0.392 0.769 0.615 CA 1.280 14 residues pruned to eliminate duplicates Z: 30 37.501 1.991 0.850 0.931 1.000 0.552 CB 1.321 30 residues pruned to eliminate duplicates Z: 77 47.680 1.995 0.533 0.777 0.961 0.776 CA 1.457 81 residues pruned to eliminate duplicates Z: 16 17.771 1.872 0.626 0.863 0.933 0.467 CB 1.185 16 residues pruned to eliminate duplicates Z: 29 28.159 1.964 0.716 0.914 0.893 0.429 CB 1.250 29 residues pruned to eliminate duplicates Z: 30 43.790 2.045 0.886 0.899 0.966 0.276 CB 1.562 30 residues pruned to eliminate duplicates Z: 31 35.770 2.043 0.668 0.838 0.933 0.600 CB 1.535 31 residues pruned to eliminate duplicates Z: 6 6.057 1.634 0.288 0.540 1.000 0.600 CB 1.237 Z: 17 13.353 1.693 0.721 0.882 0.875 0.688 CB 0.947 17 residues pruned to eliminate duplicates Z: 79 61.932 2.044 0.832 0.882 0.974 0.564 CB 1.391 79 residues pruned to eliminate duplicates Z: 30 35.454 2.098 0.369 0.952 1.000 1.000 CA 1.579 30 residues pruned to eliminate duplicates Z: 26 42.570 2.040 1.173 0.910 0.920 0.680 CB 1.481 29 residues pruned to eliminate duplicates Z: 29 54.550 2.136 0.970 0.962 1.000 0.321 CB 1.676 29 residues pruned to eliminate duplicates Z: 10 8.084 1.646 0.399 0.731 0.889 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 25 35.749 2.062 0.808 0.929 0.958 0.458 CB 1.429 25 residues pruned to eliminate duplicates Z: 26 31.435 2.037 0.604 0.932 0.960 0.840 CB 1.400 26 residues pruned to eliminate duplicates Z: 27 32.421 1.966 0.899 0.904 0.808 0.346 CA 1.502 27 residues pruned to eliminate duplicates Z: 20 20.148 1.785 0.750 0.806 0.895 0.684 CA 1.266 20 residues pruned to eliminate duplicates Z: 8 6.680 1.509 0.627 0.447 1.000 0.429 CA 1.086 8 residues pruned to eliminate duplicates Z: 10 3.795 1.413 0.268 0.453 0.889 0.556 CB 0.834 Z: 27 31.177 1.981 0.609 0.903 0.962 0.808 CA 1.422 27 residues pruned to eliminate duplicates Z: 18 18.110 1.814 0.425 0.904 1.000 0.941 CB 1.210 18 residues pruned to eliminate duplicates Z: 31 39.476 2.038 0.646 0.928 1.000 0.900 CA 1.504 31 residues pruned to eliminate duplicates Z: 30 19.732 1.830 0.811 0.586 0.828 0.655 CB 1.230 30 residues pruned to eliminate duplicates Z: 25 27.863 2.007 0.409 0.921 1.000 0.833 CA 1.416 25 residues pruned to eliminate duplicates Z: 27 29.307 1.952 0.676 0.890 0.885 0.769 CA 1.429 27 residues pruned to eliminate duplicates Z: 28 31.466 1.924 0.959 0.886 0.963 0.370 CA 1.204 28 residues pruned to eliminate duplicates Z: 11 17.976 2.067 0.559 0.843 1.000 0.700 CA 1.313 11 residues pruned to eliminate duplicates Z: 22 37.115 2.042 1.176 0.891 0.952 0.619 CB 1.376 22 residues pruned to eliminate duplicates Z: 27 36.965 2.007 0.975 0.944 0.923 0.500 CB 1.372 27 residues pruned to eliminate duplicates Z: 10 6.176 1.774 0.322 0.444 1.000 0.556 CB 0.930 10 residues pruned to eliminate duplicates Z: 10 7.841 1.689 0.449 0.840 0.889 0.222 CB 0.897 10 residues pruned to eliminate duplicates Z: 28 29.522 1.947 0.813 0.907 0.926 0.519 CA 1.235 28 residues pruned to eliminate duplicates Z: 48 44.709 2.019 1.016 0.793 0.936 0.255 CB 1.324 48 residues pruned to eliminate duplicates Z: 14 25.671 2.056 1.045 0.831 0.923 0.615 CA 1.378 14 residues pruned to eliminate duplicates Z: 18 14.234 1.718 0.496 0.896 1.000 0.647 CB 0.962 16 residues pruned to eliminate duplicates Z: 16 16.359 1.850 0.400 0.920 1.000 0.933 CA 1.148 16 residues pruned to eliminate duplicates Z: 9 5.603 1.387 0.322 0.492 1.000 0.500 CB 1.089 Z: 26 26.604 1.905 0.625 0.876 0.960 0.720 CB 1.301 26 residues pruned to eliminate duplicates Z: 6 4.521 1.415 0.373 0.632 1.000 0.600 CB 0.920 Z: 26 37.956 1.966 0.938 0.925 0.960 0.480 CB 1.456 26 residues pruned to eliminate duplicates 8 0.722 1.345 -0.028 0.375 0.714 0.571 CB 0.334 ? Z: 23 27.671 1.908 0.692 0.866 1.000 0.864 CA 1.338 23 residues pruned to eliminate duplicates Z: 19 13.291 2.021 0.338 0.637 0.889 0.611 CB 1.147 19 residues pruned to eliminate duplicates Z: 12 14.241 1.860 0.556 0.724 0.909 0.364 CA 1.334 12 residues pruned to eliminate duplicates Z: 37 37.256 2.057 0.430 0.856 1.000 0.806 CA 1.557 37 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 8.942 1.700 0.118 0.884 0.929 0.786 CB 0.979 15 residues pruned to eliminate duplicates Z: 13 12.503 1.794 0.386 0.765 0.917 0.917 CB 1.251 13 residues pruned to eliminate duplicates Z: 13 10.095 1.784 0.235 0.759 0.917 0.750 CB 1.146 13 residues pruned to eliminate duplicates Z: 17 16.341 1.777 0.547 0.860 1.000 0.875 CB 1.093 19 residues pruned to eliminate duplicates Z: 18 12.162 1.673 0.510 0.875 1.000 0.588 CB 0.849 18 residues pruned to eliminate duplicates Z: 13 10.805 1.793 0.549 0.690 0.833 0.833 CB 1.132 13 residues pruned to eliminate duplicates Z: 17 13.239 1.755 0.386 0.847 0.938 0.750 CB 1.077 17 residues pruned to eliminate duplicates Z: 17 14.248 1.771 0.389 0.852 1.000 0.812 CB 1.071 17 residues pruned to eliminate duplicates Z: 17 16.246 1.796 0.513 0.845 0.938 0.750 CB 1.185 17 residues pruned to eliminate duplicates Z: 21 13.996 1.623 0.598 0.733 0.950 0.700 CB 1.030 21 residues pruned to eliminate duplicates Z: 17 16.304 1.766 0.557 0.851 1.000 0.750 CB 1.097 17 residues pruned to eliminate duplicates Z: 16 17.068 1.843 0.496 0.891 1.000 0.733 CB 1.149 16 residues pruned to eliminate duplicates Z: 18 15.171 1.745 0.687 0.823 0.941 0.824 CB 1.004 18 residues pruned to eliminate duplicates Z: 19 14.753 1.681 0.526 0.827 1.000 0.778 CB 1.021 19 residues pruned to eliminate duplicates Z: 22 15.249 1.988 0.235 0.586 0.905 0.476 CB 1.379 22 residues pruned to eliminate duplicates Z: 21 13.638 1.941 0.303 0.583 0.900 0.550 CB 1.237 21 residues pruned to eliminate duplicates Z: 59 26.724 1.882 0.573 0.557 0.862 0.603 CB 1.301 59 residues pruned to eliminate duplicates Z: 20 16.112 2.091 0.294 0.600 0.947 0.526 CB 1.311 20 residues pruned to eliminate duplicates Z: 47 32.703 2.048 0.544 0.703 0.935 0.696 CB 1.356 47 residues pruned to eliminate duplicates Z: 74 40.388 2.029 0.480 0.750 0.959 0.753 CB 1.313 74 residues pruned to eliminate duplicates Z: 11 17.945 2.062 0.552 0.807 1.000 0.800 CA 1.357 11 residues pruned to eliminate duplicates Z: 20 17.175 2.087 0.363 0.606 0.947 0.632 CB 1.322 25 residues pruned to eliminate duplicates Z: 11 17.487 2.083 0.580 0.810 1.000 0.700 CA 1.282 11 residues pruned to eliminate duplicates Z: 77 37.966 2.002 0.396 0.736 0.961 0.750 CB 1.312 76 residues pruned to eliminate duplicates Z: 10 17.556 2.111 0.749 0.886 0.889 0.778 CA 1.287 10 residues pruned to eliminate duplicates Z: 19 15.957 2.130 0.399 0.581 0.833 0.500 CB 1.401 19 residues pruned to eliminate duplicates Z: 19 18.675 2.105 0.439 0.590 1.000 0.389 CB 1.333 20 residues pruned to eliminate duplicates Z: 13 18.075 1.980 0.578 0.717 1.000 0.583 CA 1.372 13 residues pruned to eliminate duplicates Z: 21 17.687 2.050 0.428 0.601 0.950 0.400 CB 1.292 20 residues pruned to eliminate duplicates Z: 13 18.661 2.007 0.741 0.822 0.917 0.917 CA 1.272 13 residues pruned to eliminate duplicates Z: 27 31.154 2.091 0.703 0.865 0.923 0.885 CA 1.362 27 residues pruned to eliminate duplicates Z: 13 17.749 2.013 0.616 0.759 0.917 0.833 CA 1.365 13 residues pruned to eliminate duplicates Z: 46 31.231 2.084 0.438 0.744 0.933 0.756 CB 1.338 46 residues pruned to eliminate duplicates Z: 29 25.847 2.024 0.628 0.783 0.893 0.857 CB 1.294 29 residues pruned to eliminate duplicates Z: 56 35.970 2.005 0.499 0.791 0.945 0.764 CB 1.322 56 residues pruned to eliminate duplicates Z: 16 20.075 2.005 0.699 0.855 0.933 0.600 CB 1.204 16 residues pruned to eliminate duplicates Z: 28 34.033 2.059 0.953 0.884 0.889 0.704 CB 1.324 28 residues pruned to eliminate duplicates Z: 27 31.505 2.072 0.645 0.897 0.962 0.538 CA 1.349 27 residues pruned to eliminate duplicates Z: 27 28.571 2.019 0.634 0.839 0.923 0.538 CB 1.374 27 residues pruned to eliminate duplicates Z: 33 29.098 1.995 0.781 0.717 0.906 0.531 CB 1.313 33 residues pruned to eliminate duplicates Z: 27 36.504 2.054 0.982 0.861 0.962 0.538 CB 1.344 27 residues pruned to eliminate duplicates Z: 30 33.629 2.044 0.793 0.821 0.931 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 27 38.653 2.039 1.009 0.905 1.000 0.769 CB 1.317 27 residues pruned to eliminate duplicates Z: 43 37.021 1.966 0.830 0.772 0.952 0.571 CB 1.311 43 residues pruned to eliminate duplicates Z: 30 29.387 2.011 0.780 0.815 0.862 0.517 CB 1.345 30 residues pruned to eliminate duplicates Z: 27 33.975 2.034 0.737 0.887 1.000 0.500 CA 1.360 27 residues pruned to eliminate duplicates Z: 27 35.673 2.072 0.884 0.873 0.923 0.462 CA 1.414 27 residues pruned to eliminate duplicates Z: 82 55.024 2.064 0.726 0.798 0.926 0.691 CB 1.427 82 residues pruned to eliminate duplicates Z: 25 38.152 2.106 0.858 0.943 1.000 0.542 CB 1.380 25 residues pruned to eliminate duplicates Z: 32 31.759 2.030 0.785 0.808 0.871 0.548 CA 1.381 32 residues pruned to eliminate duplicates Z: 56 43.684 2.004 0.679 0.822 0.964 0.618 CB 1.374 56 residues pruned to eliminate duplicates Z: 25 38.942 2.085 0.877 0.952 1.000 0.750 CB 1.399 25 residues pruned to eliminate duplicates Z: 34 31.064 1.961 0.707 0.820 0.909 0.576 CB 1.346 34 residues pruned to eliminate duplicates Z: 37 25.723 1.868 0.506 0.799 0.944 0.778 CB 1.243 37 residues pruned to eliminate duplicates Z: 79 64.138 2.082 0.822 0.858 0.974 0.731 CB 1.446 80 residues pruned to eliminate duplicates Z: 29 35.372 2.051 0.663 0.925 1.000 0.714 CA 1.375 29 residues pruned to eliminate duplicates Z: 15 19.817 1.902 0.712 0.784 1.000 0.786 CB 1.268 15 residues pruned to eliminate duplicates Z: 38 35.993 2.028 0.762 0.848 0.919 0.459 CB 1.337 38 residues pruned to eliminate duplicates Z: 53 37.829 1.956 0.754 0.805 0.923 0.615 CB 1.269 53 residues pruned to eliminate duplicates Z: 55 41.818 2.012 0.739 0.835 0.926 0.685 CB 1.316 55 residues pruned to eliminate duplicates Z: 53 36.323 1.974 0.632 0.776 0.942 0.635 CB 1.301 45 residues pruned to eliminate duplicates Z: 26 20.079 1.950 0.255 0.921 0.960 0.680 CB 1.203 26 residues pruned to eliminate duplicates Z: 55 38.467 1.985 0.701 0.839 0.870 0.519 CB 1.330 30 residues pruned to eliminate duplicates Z: 28 25.256 1.926 0.497 0.905 0.963 0.778 CB 1.246 28 residues pruned to eliminate duplicates Z: 58 42.559 1.973 0.588 0.866 0.982 0.667 CB 1.340 58 residues pruned to eliminate duplicates Z: 56 44.277 1.993 0.780 0.846 0.945 0.582 CB 1.323 56 residues pruned to eliminate duplicates Z: 28 25.578 1.954 0.489 0.912 1.000 0.704 CB 1.198 28 residues pruned to eliminate duplicates Z: 39 23.439 1.897 0.481 0.754 0.921 0.500 CB 1.172 39 residues pruned to eliminate duplicates Z: 54 40.155 1.976 0.742 0.820 0.925 0.415 CB 1.313 54 residues pruned to eliminate duplicates Z: 56 43.445 1.986 0.815 0.783 0.964 0.509 CB 1.314 56 residues pruned to eliminate duplicates Z: 31 22.911 1.925 0.440 0.795 0.967 0.533 CB 1.205 31 residues pruned to eliminate duplicates Z: 30 21.258 1.932 0.509 0.785 0.931 0.483 CB 1.133 30 residues pruned to eliminate duplicates Z: 79 59.625 2.033 0.751 0.839 0.987 0.679 CB 1.435 79 residues pruned to eliminate duplicates Z: 54 45.252 2.026 0.772 0.777 0.962 0.604 CB 1.410 54 residues pruned to eliminate duplicates Z: 28 24.062 1.923 0.608 0.882 0.926 0.481 CB 1.170 28 residues pruned to eliminate duplicates Z: 34 25.522 1.893 0.584 0.766 0.939 0.485 CB 1.246 34 residues pruned to eliminate duplicates Z: 82 61.593 2.026 0.936 0.820 0.951 0.481 CB 1.391 82 residues pruned to eliminate duplicates Z: 53 45.589 2.009 0.853 0.879 0.942 0.538 CB 1.308 53 residues pruned to eliminate duplicates Z: 81 59.066 2.048 0.873 0.838 0.913 0.550 CB 1.411 81 residues pruned to eliminate duplicates Z: 55 33.299 1.954 0.632 0.706 0.889 0.648 CB 1.326 55 residues pruned to eliminate duplicates Z: 57 46.668 2.019 0.819 0.785 0.929 0.589 CB 1.423 57 residues pruned to eliminate duplicates Z: 80 62.443 2.071 0.818 0.870 0.962 0.595 CB 1.416 80 residues pruned to eliminate duplicates Z: 57 48.355 2.015 0.861 0.823 0.946 0.643 CB 1.376 57 residues pruned to eliminate duplicates Z: 57 49.693 2.021 0.766 0.856 0.982 0.643 CB 1.397 57 residues pruned to eliminate duplicates Z: 41 45.941 2.093 0.783 0.824 0.975 0.650 CB 1.508 41 residues pruned to eliminate duplicates Z: 40 44.675 2.111 0.737 0.850 0.949 0.769 CB 1.524 40 residues pruned to eliminate duplicates Z: 80 64.530 2.088 0.858 0.857 0.949 0.620 CB 1.452 80 residues pruned to eliminate duplicates Z: 6 3.441 1.742 0.646 0.353 0.800 0.200 CA 0.786 6 residues pruned to eliminate duplicates Z: 80 63.589 2.073 0.749 0.875 0.987 0.633 CB 1.453 80 residues pruned to eliminate duplicates Z: 81 63.013 2.059 0.878 0.863 0.950 0.600 CB 1.408 81 residues pruned to eliminate duplicates Z: 23 38.781 2.071 1.042 0.910 1.000 0.727 CA 1.387 23 residues pruned to eliminate duplicates Z: 70 52.814 2.038 0.952 0.821 0.899 0.478 CB 1.346 70 residues pruned to eliminate duplicates Z: 79 63.512 2.080 0.858 0.856 0.962 0.462 CB 1.428 79 residues pruned to eliminate duplicates Z: 83 61.380 2.041 0.839 0.856 0.963 0.610 CB 1.383 83 residues pruned to eliminate duplicates Z: 80 61.912 2.073 0.750 0.872 0.962 0.570 CB 1.455 80 residues pruned to eliminate duplicates Z: 82 62.872 2.054 0.755 0.859 0.988 0.642 CB 1.444 82 residues pruned to eliminate duplicates Z: 42 43.792 2.036 0.891 0.790 0.976 0.610 CB 1.412 42 residues pruned to eliminate duplicates Z: 25 44.320 2.164 1.116 0.792 1.000 0.750 CB 1.529 25 residues pruned to eliminate duplicates Z: 40 44.993 2.087 0.963 0.849 0.949 0.590 CB 1.374 40 residues pruned to eliminate duplicates Z: 81 63.275 2.021 0.909 0.850 0.963 0.562 CB 1.411 81 residues pruned to eliminate duplicates Z: 80 62.094 2.065 0.850 0.875 0.962 0.557 CB 1.383 80 residues pruned to eliminate duplicates Z: 22 42.782 2.112 1.156 0.925 1.000 0.524 CB 1.439 22 residues pruned to eliminate duplicates Z: 77 55.807 2.029 0.862 0.815 0.934 0.408 CB 1.378 77 residues pruned to eliminate duplicates Z: 80 54.264 2.031 0.903 0.806 0.949 0.430 CB 1.274 80 residues pruned to eliminate duplicates Z: 80 60.300 2.044 0.893 0.860 0.962 0.418 CB 1.340 80 residues pruned to eliminate duplicates Z: 23 43.638 2.074 1.276 0.891 1.000 0.591 CB 1.417 23 residues pruned to eliminate duplicates Z: 58 46.657 1.991 0.863 0.788 0.965 0.456 CB 1.341 58 residues pruned to eliminate duplicates Z: 41 42.940 2.055 0.931 0.804 0.950 0.425 CB 1.381 41 residues pruned to eliminate duplicates Z: 41 48.452 2.067 1.036 0.858 0.975 0.600 CB 1.375 41 residues pruned to eliminate duplicates Z: 6 3.245 1.769 0.250 0.491 1.000 0.600 CA 0.663 6 residues pruned to eliminate duplicates Z: 19 18.904 1.777 0.634 0.744 1.000 0.833 CB 1.233 20 residues pruned to eliminate duplicates Z: 17 23.890 1.922 0.823 0.904 1.000 0.875 CB 1.214 16 residues pruned to eliminate duplicates Z: 17 20.772 1.887 0.681 0.902 1.000 0.750 CB 1.167 17 residues pruned to eliminate duplicates Z: 16 18.379 1.932 0.653 0.906 1.000 0.667 CB 1.056 17 residues pruned to eliminate duplicates Z: 17 15.431 1.860 0.435 0.867 0.938 0.875 CB 1.128 17 residues pruned to eliminate duplicates Z: 17 19.028 1.929 0.626 0.815 1.000 0.812 CB 1.153 17 residues pruned to eliminate duplicates Z: 13 17.592 1.955 0.716 0.778 1.000 0.750 CB 1.185 13 residues pruned to eliminate duplicates Z: 17 18.125 1.899 0.710 0.818 1.000 0.688 CB 1.058 17 residues pruned to eliminate duplicates Z: 16 18.245 1.848 0.607 0.885 1.000 0.800 CB 1.145 16 residues pruned to eliminate duplicates Z: 17 20.545 1.927 0.668 0.840 1.000 0.812 CB 1.193 17 residues pruned to eliminate duplicates Z: 18 16.156 1.882 0.496 0.772 0.941 0.765 CB 1.163 18 residues pruned to eliminate duplicates Z: 18 14.389 1.837 0.501 0.763 0.882 0.529 CB 1.136 18 residues pruned to eliminate duplicates Z: 12 14.537 1.954 0.485 0.767 1.000 0.818 CB 1.192 12 residues pruned to eliminate duplicates Z: 21 29.405 2.187 0.531 0.700 0.950 0.750 CA 1.722 21 residues pruned to eliminate duplicates Z: 67 61.288 2.137 0.606 0.840 0.985 0.803 CA 1.665 67 residues pruned to eliminate duplicates Z: 31 41.190 2.180 0.648 0.865 0.933 0.767 CB 1.643 31 residues pruned to eliminate duplicates Z: 69 60.217 2.116 0.608 0.818 0.985 0.765 CA 1.653 77 residues pruned to eliminate duplicates Z: 9 19.113 1.986 0.633 0.851 1.000 0.750 CA 1.542 8 residues pruned to eliminate duplicates Z: 37 34.864 2.023 0.401 0.847 0.944 0.861 CA 1.612 37 residues pruned to eliminate duplicates Z: 12 15.634 1.781 0.734 0.759 0.909 0.636 CA 1.333 10 residues pruned to eliminate duplicates Z: 40 35.073 2.011 0.486 0.815 0.974 0.795 CA 1.466 40 residues pruned to eliminate duplicates Z: 67 60.792 2.125 0.643 0.829 0.985 0.773 CA 1.638 67 residues pruned to eliminate duplicates Z: 34 35.876 2.069 0.647 0.769 0.939 0.727 CB 1.537 36 residues pruned to eliminate duplicates Z: 24 32.991 2.102 0.515 0.923 0.957 0.870 CB 1.587 24 residues pruned to eliminate duplicates Z: 70 58.499 2.101 0.585 0.815 0.971 0.710 CA 1.656 70 residues pruned to eliminate duplicates Z: 33 40.960 2.121 0.701 0.837 0.969 0.656 CB 1.549 31 residues pruned to eliminate duplicates Z: 30 41.320 2.042 0.679 0.898 1.000 0.759 CA 1.601 30 residues pruned to eliminate duplicates Z: 32 40.417 2.119 0.677 0.818 0.968 0.710 CB 1.601 32 residues pruned to eliminate duplicates Z: 31 36.338 2.152 0.586 0.838 0.933 0.633 CB 1.557 31 residues pruned to eliminate duplicates Z: 63 51.940 2.052 0.611 0.792 0.968 0.629 CB 1.596 63 residues pruned to eliminate duplicates Z: 66 66.420 2.152 0.728 0.855 0.969 0.754 CA 1.686 68 residues pruned to eliminate duplicates Z: 26 30.606 1.982 0.669 0.837 0.920 0.640 CB 1.504 26 residues pruned to eliminate duplicates Z: 67 61.574 2.114 0.631 0.838 1.000 0.636 CB 1.642 67 residues pruned to eliminate duplicates Z: 56 56.272 2.126 0.721 0.823 0.982 0.636 CB 1.597 55 residues pruned to eliminate duplicates Z: 26 39.915 2.087 0.822 0.928 1.000 0.520 CB 1.470 26 residues pruned to eliminate duplicates Z: 63 50.373 2.055 0.653 0.826 0.919 0.742 CA 1.545 63 residues pruned to eliminate duplicates Z: 76 60.048 2.096 0.696 0.784 0.960 0.573 CB 1.583 68 residues pruned to eliminate duplicates Z: 31 37.290 2.015 0.759 0.868 0.933 0.467 CB 1.505 31 residues pruned to eliminate duplicates Z: 66 62.138 2.130 0.664 0.835 0.985 0.569 CB 1.653 66 residues pruned to eliminate duplicates Z: 67 67.179 2.144 0.822 0.850 0.939 0.591 CB 1.669 75 residues pruned to eliminate duplicates Z: 16 21.874 1.883 0.781 0.858 0.867 0.467 CB 1.431 16 residues pruned to eliminate duplicates Z: 70 56.447 2.083 0.716 0.753 0.957 0.536 CB 1.586 61 residues pruned to eliminate duplicates Z: 18 21.272 1.842 0.831 0.764 0.882 0.471 CB 1.372 18 residues pruned to eliminate duplicates Z: 95 68.041 2.026 0.813 0.818 0.926 0.649 CB 1.566 104 residues pruned to eliminate duplicates Z: 36 45.507 2.067 0.907 0.860 0.943 0.514 CB 1.523 35 residues pruned to eliminate duplicates Z: 22 31.220 2.025 0.957 0.850 0.905 0.429 CB 1.407 22 residues pruned to eliminate duplicates Z: 76 62.043 2.111 0.727 0.770 0.960 0.573 CB 1.611 76 residues pruned to eliminate duplicates Z: 67 62.186 2.126 0.660 0.854 0.985 0.561 CB 1.626 67 residues pruned to eliminate duplicates Z: 33 43.154 2.178 0.590 0.851 0.969 0.844 CA 1.683 33 residues pruned to eliminate duplicates Z: 69 65.677 2.122 0.778 0.822 0.971 0.485 CB 1.645 69 residues pruned to eliminate duplicates Z: 69 60.496 2.100 0.734 0.827 0.956 0.588 CB 1.588 69 residues pruned to eliminate duplicates Z: 19 31.560 2.098 0.666 0.929 0.944 0.778 CA 1.576 19 residues pruned to eliminate duplicates Z: 69 64.183 2.111 0.793 0.829 0.971 0.574 CB 1.594 69 residues pruned to eliminate duplicates Z: 66 64.771 2.137 0.768 0.849 0.969 0.508 CB 1.626 66 residues pruned to eliminate duplicates Z: 69 61.227 2.093 0.718 0.829 0.985 0.471 CB 1.577 69 residues pruned to eliminate duplicates Z: 68 65.026 2.119 0.792 0.830 0.970 0.582 CB 1.621 68 residues pruned to eliminate duplicates Z: 71 60.405 2.085 0.793 0.795 0.957 0.486 CB 1.558 71 residues pruned to eliminate duplicates Z: 74 57.597 2.079 0.683 0.795 0.945 0.452 CB 1.573 74 residues pruned to eliminate duplicates Z: 67 63.639 2.124 0.817 0.847 0.939 0.470 CB 1.604 67 residues pruned to eliminate duplicates Z: 65 51.619 2.061 0.735 0.768 0.938 0.391 CB 1.517 65 residues pruned to eliminate duplicates Z: 67 71.288 2.128 0.860 0.859 1.000 0.439 CB 1.632 68 residues pruned to eliminate duplicates Z: 28 42.998 2.155 0.550 0.957 1.000 0.593 CA 1.701 28 residues pruned to eliminate duplicates Z: 66 72.320 2.145 0.918 0.858 1.000 0.462 CB 1.605 66 residues pruned to eliminate duplicates Z: 67 56.655 2.093 0.836 0.784 0.909 0.409 CB 1.554 67 residues pruned to eliminate duplicates Z: 67 72.687 2.133 0.932 0.850 0.985 0.455 CB 1.633 67 residues pruned to eliminate duplicates Z: 29 52.768 2.157 0.964 0.944 0.964 0.571 CA 1.690 29 residues pruned to eliminate duplicates Z: 76 65.432 2.108 0.849 0.781 0.960 0.440 CB 1.576 76 residues pruned to eliminate duplicates Z: 67 70.563 2.126 0.941 0.845 0.970 0.379 CB 1.613 67 residues pruned to eliminate duplicates Z: 66 64.936 2.078 1.018 0.796 0.923 0.369 CB 1.605 66 residues pruned to eliminate duplicates Z: 65 64.607 2.130 0.872 0.794 0.953 0.438 CB 1.642 65 residues pruned to eliminate duplicates Z: 34 51.462 2.149 0.903 0.823 0.970 0.424 CB 1.707 34 residues pruned to eliminate duplicates Z: 67 73.646 2.126 1.025 0.833 0.970 0.364 CB 1.629 67 residues pruned to eliminate duplicates Z: 70 61.890 2.046 0.929 0.745 0.942 0.377 CB 1.610 70 residues pruned to eliminate duplicates Z: 68 67.507 2.116 0.938 0.841 0.955 0.403 CB 1.570 68 residues pruned to eliminate duplicates Z: 69 65.386 2.088 0.951 0.830 0.926 0.382 CB 1.579 69 residues pruned to eliminate duplicates Z: 67 62.453 2.091 0.920 0.797 0.970 0.424 CB 1.522 67 residues pruned to eliminate duplicates Z: 79 59.961 2.046 0.899 0.799 0.897 0.436 CB 1.499 79 residues pruned to eliminate duplicates Z: 35 51.159 2.110 0.968 0.791 0.971 0.471 CB 1.686 35 residues pruned to eliminate duplicates Z: 70 67.942 2.080 0.917 0.829 0.986 0.377 CB 1.566 70 residues pruned to eliminate duplicates Z: 46 46.323 2.094 0.764 0.877 0.956 0.733 CA 1.421 46 residues pruned to eliminate duplicates Z: 54 42.501 2.025 0.720 0.828 0.906 0.623 CA 1.394 54 residues pruned to eliminate duplicates Z: 14 13.984 1.819 0.567 0.703 0.923 0.385 CB 1.225 14 residues pruned to eliminate duplicates Z: 50 41.407 2.021 0.674 0.834 0.959 0.735 CA 1.366 50 residues pruned to eliminate duplicates Z: 47 38.457 2.008 0.810 0.734 0.935 0.652 CA 1.352 47 residues pruned to eliminate duplicates Z: 48 45.432 2.062 0.752 0.852 0.979 0.638 CA 1.387 48 residues pruned to eliminate duplicates Z: 52 45.067 2.072 0.695 0.864 0.980 0.706 CA 1.344 52 residues pruned to eliminate duplicates Z: 55 45.810 2.016 0.801 0.880 0.926 0.648 CA 1.344 55 residues pruned to eliminate duplicates Z: 29 29.936 1.960 0.834 0.886 0.893 0.607 CA 1.272 29 residues pruned to eliminate duplicates Z: 21 26.624 1.925 0.808 0.872 1.000 0.400 CA 1.247 21 residues pruned to eliminate duplicates Z: 46 35.760 2.022 0.777 0.723 0.911 0.511 CA 1.332 46 residues pruned to eliminate duplicates Z: 15 23.627 1.924 1.180 0.765 0.929 0.500 CA 1.282 15 residues pruned to eliminate duplicates Z: 22 28.942 1.942 1.092 0.850 0.905 0.429 CA 1.273 22 residues pruned to eliminate duplicates Z: 14 23.220 1.954 0.991 0.903 0.846 0.538 CB 1.394 14 residues pruned to eliminate duplicates Z: 48 47.823 2.058 0.959 0.831 0.957 0.532 CA 1.358 47 residues pruned to eliminate duplicates Z: 21 25.525 1.925 1.018 0.813 0.900 0.500 CA 1.243 21 residues pruned to eliminate duplicates Z: 49 52.322 2.032 1.027 0.852 0.958 0.500 CA 1.416 49 residues pruned to eliminate duplicates Z: 29 38.473 1.992 1.046 0.891 1.000 0.393 CA 1.282 30 residues pruned to eliminate duplicates Z: 19 21.360 1.889 0.844 0.865 0.889 0.167 CA 1.191 19 residues pruned to eliminate duplicates Z: 57 49.959 2.007 0.960 0.860 0.911 0.607 CA 1.370 57 residues pruned to eliminate duplicates Z: 20 25.231 1.937 1.060 0.835 0.895 0.526 CA 1.214 20 residues pruned to eliminate duplicates Z: 28 28.663 1.975 0.980 0.860 0.815 0.407 CA 1.273 28 residues pruned to eliminate duplicates Z: 41 39.806 2.092 0.708 0.837 0.950 0.650 CA 1.386 41 residues pruned to eliminate duplicates Z: 41 55.974 2.125 1.149 0.851 0.950 0.625 CB 1.510 41 residues pruned to eliminate duplicates Z: 47 37.992 2.015 0.860 0.744 0.826 0.500 CA 1.454 47 residues pruned to eliminate duplicates Z: 38 42.301 2.134 0.951 0.845 0.838 0.568 CA 1.483 38 residues pruned to eliminate duplicates Z: 23 30.697 2.070 0.854 0.775 0.955 0.682 CA 1.401 23 residues pruned to eliminate duplicates Z: 47 48.368 2.075 0.934 0.847 0.935 0.391 CB 1.412 47 residues pruned to eliminate duplicates Z: 43 44.615 2.030 0.973 0.835 0.929 0.500 CB 1.386 43 residues pruned to eliminate duplicates Z: 44 45.105 2.056 0.912 0.761 0.977 0.488 CA 1.421 44 residues pruned to eliminate duplicates Z: 46 46.386 2.063 0.907 0.795 0.978 0.533 CB 1.388 46 residues pruned to eliminate duplicates Z: 44 43.744 2.041 0.984 0.773 0.977 0.512 CA 1.325 44 residues pruned to eliminate duplicates Z: 43 42.696 2.082 0.772 0.800 0.976 0.643 CA 1.406 43 residues pruned to eliminate duplicates Z: 38 43.935 2.103 0.945 0.810 1.000 0.595 CA 1.349 38 residues pruned to eliminate duplicates Z: 45 49.410 2.094 0.890 0.828 0.977 0.523 CB 1.451 45 residues pruned to eliminate duplicates Z: 47 41.915 2.022 0.826 0.772 0.935 0.478 CA 1.407 47 residues pruned to eliminate duplicates Z: 53 51.079 2.049 0.877 0.826 0.962 0.519 CA 1.445 53 residues pruned to eliminate duplicates Z: 20 34.929 2.052 0.884 0.853 1.000 0.684 CA 1.532 20 residues pruned to eliminate duplicates Z: 42 47.468 2.079 0.893 0.822 0.976 0.537 CA 1.460 42 residues pruned to eliminate duplicates Z: 51 54.245 2.050 1.071 0.883 0.980 0.560 CB 1.333 51 residues pruned to eliminate duplicates Z: 53 56.984 2.088 0.927 0.852 1.000 0.519 CB 1.452 53 residues pruned to eliminate duplicates Z: 46 53.546 2.091 1.060 0.833 0.956 0.400 CA 1.455 46 residues pruned to eliminate duplicates Z: 45 53.195 2.106 1.040 0.827 0.955 0.318 CA 1.474 45 residues pruned to eliminate duplicates Z: 56 55.649 2.038 0.964 0.882 0.964 0.527 CB 1.408 56 residues pruned to eliminate duplicates Z: 42 49.421 2.078 1.003 0.824 1.000 0.366 CB 1.401 42 residues pruned to eliminate duplicates Z: 42 46.091 2.104 0.986 0.822 0.902 0.293 CB 1.444 42 residues pruned to eliminate duplicates Z: 43 47.420 2.038 0.985 0.878 0.976 0.452 CB 1.345 43 residues pruned to eliminate duplicates Z: 56 49.411 2.018 1.011 0.867 0.927 0.345 CB 1.295 56 residues pruned to eliminate duplicates Z: 47 52.655 2.086 0.985 0.871 0.978 0.435 CB 1.398 47 residues pruned to eliminate duplicates Z: 48 52.990 2.063 1.013 0.879 0.979 0.468 CB 1.379 46 residues pruned to eliminate duplicates Z: 28 42.317 1.992 1.106 0.934 1.000 0.333 CB 1.354 28 residues pruned to eliminate duplicates Z: 46 46.333 2.038 1.076 0.833 0.889 0.356 CB 1.378 46 residues pruned to eliminate duplicates Z: 21 26.670 1.992 1.170 0.766 0.800 0.350 CB 1.362 21 residues pruned to eliminate duplicates Z: 7 5.289 1.665 0.251 0.489 0.833 0.333 CA 1.258 7 residues pruned to eliminate duplicates Z: 7 6.190 1.666 0.487 0.486 0.833 0.500 CB 1.241 7 residues pruned to eliminate duplicates Z: 6 9.096 1.867 0.363 0.585 1.000 0.400 CB 1.473 8 residues pruned to eliminate duplicates Z: 7 7.330 1.673 0.340 0.507 1.000 0.833 CB 1.325 8 residues pruned to eliminate duplicates Z: 6 8.614 1.832 0.270 0.794 1.000 0.600 CB 1.280 Z: 7 4.547 1.547 0.145 0.666 0.833 0.167 CB 1.078 7 residues pruned to eliminate duplicates Z: 38 23.699 1.944 0.457 0.545 0.919 0.622 CB 1.432 32 residues pruned to eliminate duplicates Z: 6 6.889 1.644 0.549 0.422 1.000 0.600 CA 1.312 6 residues pruned to eliminate duplicates Z: 11 8.993 1.869 0.653 0.282 1.000 0.500 CB 1.177 11 residues pruned to eliminate duplicates Z: 24 29.822 2.011 0.664 0.881 1.000 0.826 CA 1.346 24 residues pruned to eliminate duplicates Z: 32 25.319 1.814 0.817 0.753 0.839 0.581 CA 1.313 32 residues pruned to eliminate duplicates Z: 25 30.884 1.978 0.813 0.858 0.958 0.833 CA 1.351 25 residues pruned to eliminate duplicates Z: 27 39.422 1.996 0.849 0.920 1.000 0.885 CA 1.476 27 residues pruned to eliminate duplicates Z: 27 28.024 1.895 0.935 0.795 0.846 0.769 CA 1.367 27 residues pruned to eliminate duplicates Z: 28 27.720 1.833 0.836 0.697 0.926 0.556 CA 1.430 28 residues pruned to eliminate duplicates Z: 26 27.122 1.941 0.726 0.805 0.880 0.720 CA 1.410 26 residues pruned to eliminate duplicates Z: 94 73.307 2.038 0.946 0.842 0.957 0.516 CB 1.492 96 residues pruned to eliminate duplicates Z: 26 32.179 1.952 0.771 0.889 0.920 0.440 CA 1.457 26 residues pruned to eliminate duplicates Z: 92 70.012 2.050 0.869 0.833 0.978 0.308 CB 1.469 92 residues pruned to eliminate duplicates Z: 24 33.430 1.895 1.031 0.896 0.957 0.565 CA 1.357 24 residues pruned to eliminate duplicates Z: 28 37.411 1.909 0.891 0.920 0.963 0.444 CA 1.458 28 residues pruned to eliminate duplicates Z: 27 37.178 1.972 0.855 0.913 0.962 0.731 CA 1.468 27 residues pruned to eliminate duplicates Z: 23 38.920 1.964 1.060 0.909 1.000 0.500 CA 1.456 24 residues pruned to eliminate duplicates Z: 27 37.257 1.983 0.854 0.908 0.923 0.538 CB 1.529 27 residues pruned to eliminate duplicates Z: 28 34.347 1.933 0.856 0.884 0.926 0.593 CA 1.438 28 residues pruned to eliminate duplicates Z: 23 37.082 1.963 0.899 0.927 1.000 0.818 CA 1.486 23 residues pruned to eliminate duplicates Z: 23 32.859 1.952 0.861 0.915 0.955 0.545 CB 1.427 23 residues pruned to eliminate duplicates Z: 25 34.260 1.973 0.951 0.823 0.958 0.458 CA 1.434 25 residues pruned to eliminate duplicates Z: 21 31.647 1.949 1.034 0.845 0.950 0.450 CA 1.397 21 residues pruned to eliminate duplicates Z: 29 31.307 1.895 0.864 0.815 0.893 0.464 CA 1.426 29 residues pruned to eliminate duplicates Z: 29 31.419 1.877 0.832 0.850 0.893 0.357 CA 1.432 29 residues pruned to eliminate duplicates Z: 29 32.389 1.876 0.900 0.849 0.893 0.536 CA 1.426 29 residues pruned to eliminate duplicates Z: 26 34.762 1.923 0.897 0.836 1.000 0.480 CB 1.426 26 residues pruned to eliminate duplicates Z: 27 36.241 1.928 0.966 0.913 0.962 0.538 CB 1.380 27 residues pruned to eliminate duplicates 273 residues left after pruning, divided into chains as follows: A: 17 B: 53 C: 21 D: 16 E: 56 F: 6 G: 104 CC for partial structure against native data = 37.36 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.384, Connect. = 0.698 for dens.mod. cycle 1 = 0.300, Contrast = 0.437, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.510, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.514, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.516, Connect. = 0.760 for dens.mod. cycle 6 = 0.300, Contrast = 0.520, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.521, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.524, Connect. = 0.765 for dens.mod. cycle 9 = 0.300, Contrast = 0.525, Connect. = 0.766 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1744 peaks > 0.5 sigma used to seed fragment search Space for about 398 unique residues taking solvent into account 378 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 41.919 2.153 0.551 0.924 1.000 0.857 CA 1.666 B: 27 26.578 2.035 0.514 0.922 0.923 0.885 CA 1.289 C: 22 41.582 2.149 0.929 0.940 1.000 0.810 CB 1.520 D: 21 30.200 2.151 0.542 0.935 0.950 0.900 CA 1.494 21 residues pruned to eliminate duplicates E: 14 24.297 2.081 1.025 0.901 0.846 0.538 CA 1.349 F: 30 41.831 2.097 0.681 0.912 1.000 0.931 CA 1.560 29 residues pruned to eliminate duplicates G: 30 28.344 2.017 0.387 0.916 0.897 0.759 CA 1.483 30 residues pruned to eliminate duplicates H: 12 16.638 1.931 0.710 0.783 0.909 0.727 CB 1.303 I: 30 32.338 2.038 0.422 0.898 1.000 0.862 CA 1.483 30 residues pruned to eliminate duplicates J: 22 40.063 2.127 0.957 0.925 1.000 0.810 CB 1.474 21 residues pruned to eliminate duplicates K: 28 29.464 2.000 0.256 0.935 1.000 0.926 CB 1.573 L: 32 29.189 1.966 0.383 0.877 0.968 0.742 CB 1.447 28 residues pruned to eliminate duplicates M: 23 34.859 2.069 0.731 0.936 1.000 1.000 CA 1.445 23 residues pruned to eliminate duplicates N: 30 42.536 2.094 0.681 0.918 1.000 0.759 CA 1.583 30 residues pruned to eliminate duplicates O: 29 34.501 2.066 0.632 0.894 0.964 0.607 CB 1.439 22 residues pruned to eliminate duplicates P: 30 30.504 1.971 0.455 0.896 1.000 0.759 CB 1.415 31 residues pruned to eliminate duplicates Q: 25 37.825 2.080 1.082 0.929 0.958 0.667 CB 1.302 27 residues pruned to eliminate duplicates R: 29 51.629 2.144 0.908 0.931 1.000 0.464 CB 1.667 30 residues pruned to eliminate duplicates S: 19 18.819 1.901 0.551 0.914 1.000 0.833 CB 1.064 T: 18 17.793 1.788 0.497 0.914 1.000 0.882 CA 1.141 12 residues pruned to eliminate duplicates U: 31 49.274 2.031 0.953 0.932 1.000 0.500 CA 1.583 30 residues pruned to eliminate duplicates V: 28 31.605 1.975 0.500 0.887 1.000 0.852 CB 1.480 28 residues pruned to eliminate duplicates W: 19 20.717 2.004 0.533 0.880 0.944 0.722 CB 1.219 13 residues pruned to eliminate duplicates X: 24 35.596 2.010 0.862 0.905 1.000 0.652 CA 1.411 24 residues pruned to eliminate duplicates Y: 31 31.735 2.012 0.603 0.856 0.933 0.500 CB 1.420 30 residues pruned to eliminate duplicates Z: 22 27.141 2.032 1.023 0.866 0.857 0.524 CB 1.231 22 residues pruned to eliminate duplicates Z: 27 35.497 2.043 0.769 0.926 0.962 0.538 CB 1.405 26 residues pruned to eliminate duplicates Z: 27 27.206 2.032 0.466 0.911 1.000 0.769 CA 1.270 27 residues pruned to eliminate duplicates Z: 29 45.773 2.139 0.794 0.938 0.964 0.571 CB 1.626 29 residues pruned to eliminate duplicates Z: 28 51.366 2.160 0.900 0.946 1.000 0.704 CB 1.666 28 residues pruned to eliminate duplicates Z: 19 33.864 2.108 0.785 0.933 1.000 0.611 CA 1.480 19 residues pruned to eliminate duplicates Z: 26 34.127 2.026 1.014 0.891 0.960 0.600 CB 1.253 26 residues pruned to eliminate duplicates Z: 29 29.296 1.931 0.455 0.912 1.000 0.750 CB 1.396 14 residues pruned to eliminate duplicates Z: 22 28.644 2.052 0.557 0.881 1.000 0.762 CB 1.416 22 residues pruned to eliminate duplicates Z: 28 29.903 2.013 0.720 0.884 0.963 0.704 CA 1.247 Z: 22 37.354 2.125 0.803 0.932 1.000 0.905 CA 1.486 23 residues pruned to eliminate duplicates Z: 22 19.087 1.888 0.655 0.834 0.810 0.524 CA 1.234 22 residues pruned to eliminate duplicates Z: 28 29.596 1.988 0.605 0.882 0.963 0.778 CA 1.341 27 residues pruned to eliminate duplicates Z: 27 22.040 1.968 0.649 0.884 0.808 0.385 CB 1.192 25 residues pruned to eliminate duplicates Z: 30 37.585 2.034 0.677 0.882 0.966 0.586 CB 1.534 31 residues pruned to eliminate duplicates Z: 21 19.842 1.690 0.729 0.897 1.000 0.800 CA 1.087 18 residues pruned to eliminate duplicates Z: 30 34.768 2.048 0.481 0.898 0.966 0.897 CA 1.577 30 residues pruned to eliminate duplicates Z: 20 29.733 2.006 0.945 0.918 0.895 0.421 CB 1.378 20 residues pruned to eliminate duplicates Z: 24 37.058 2.014 1.031 0.916 1.000 0.652 CB 1.334 24 residues pruned to eliminate duplicates Z: 29 39.293 1.971 0.811 0.931 1.000 0.750 CB 1.454 29 residues pruned to eliminate duplicates Z: 31 34.007 1.985 0.458 0.896 1.000 0.900 CA 1.537 31 residues pruned to eliminate duplicates Z: 22 28.162 1.879 0.975 0.881 0.905 0.571 CB 1.325 22 residues pruned to eliminate duplicates Z: 24 26.634 1.933 0.376 0.930 1.000 0.913 CA 1.460 24 residues pruned to eliminate duplicates Z: 19 9.235 1.716 0.315 0.611 0.944 0.667 CB 0.920 Z: 22 29.096 2.128 0.505 0.914 1.000 0.857 CA 1.402 22 residues pruned to eliminate duplicates Z: 30 49.111 2.097 0.905 0.928 0.966 0.483 CB 1.656 30 residues pruned to eliminate duplicates Z: 28 35.479 1.994 0.879 0.897 0.963 0.593 CB 1.355 28 residues pruned to eliminate duplicates Z: 25 34.215 2.086 0.864 0.935 0.958 0.625 CB 1.307 25 residues pruned to eliminate duplicates Z: 11 19.754 2.034 0.598 0.866 1.000 0.800 CA 1.407 11 residues pruned to eliminate duplicates Z: 11 18.476 2.007 0.564 0.823 1.000 0.900 CB 1.407 11 residues pruned to eliminate duplicates Z: 22 38.296 2.111 0.862 0.927 1.000 0.762 CA 1.490 22 residues pruned to eliminate duplicates Z: 29 33.766 1.957 0.591 0.934 1.000 0.893 CA 1.429 29 residues pruned to eliminate duplicates Z: 30 39.669 2.094 0.550 0.948 1.000 0.897 CA 1.568 30 residues pruned to eliminate duplicates Z: 30 45.678 2.106 0.808 0.922 0.966 0.483 CB 1.622 30 residues pruned to eliminate duplicates Z: 28 25.638 1.973 0.658 0.869 0.926 0.630 CA 1.190 28 residues pruned to eliminate duplicates Z: 28 47.317 2.163 0.708 0.964 1.000 0.741 CA 1.684 28 residues pruned to eliminate duplicates Z: 21 25.774 2.072 0.726 0.799 0.900 0.700 CB 1.379 21 residues pruned to eliminate duplicates Z: 27 30.243 2.033 0.408 0.884 1.000 0.769 CB 1.497 27 residues pruned to eliminate duplicates Z: 27 35.224 1.963 0.826 0.923 0.962 0.692 CA 1.409 Z: 18 40.471 2.155 1.062 0.935 1.000 0.824 CA 1.539 18 residues pruned to eliminate duplicates Z: 31 29.133 1.970 0.686 0.842 0.933 0.500 CA 1.279 29 residues pruned to eliminate duplicates Z: 23 32.945 2.061 0.672 0.899 1.000 0.818 CB 1.457 23 residues pruned to eliminate duplicates Z: 26 33.269 2.073 0.850 0.909 0.920 0.480 CB 1.339 26 residues pruned to eliminate duplicates Z: 23 29.125 2.025 0.622 0.902 1.000 0.818 CA 1.348 23 residues pruned to eliminate duplicates Z: 30 24.418 1.932 0.491 0.851 0.931 0.724 CA 1.251 30 residues pruned to eliminate duplicates Z: 30 53.117 2.086 1.030 0.916 1.000 0.241 CB 1.644 30 residues pruned to eliminate duplicates Z: 19 26.491 1.949 0.759 0.913 1.000 0.889 CA 1.289 19 residues pruned to eliminate duplicates Z: 39 34.204 2.007 0.379 0.851 0.974 0.789 CB 1.524 39 residues pruned to eliminate duplicates Z: 8 14.164 2.022 0.592 0.897 1.000 1.000 CA 1.190 8 residues pruned to eliminate duplicates Z: 27 28.273 1.880 0.725 0.872 0.962 0.885 CA 1.297 27 residues pruned to eliminate duplicates Z: 33 36.266 1.905 0.913 0.837 0.938 0.375 CB 1.403 33 residues pruned to eliminate duplicates Z: 16 20.357 1.858 0.874 0.840 1.000 0.667 CA 1.127 16 residues pruned to eliminate duplicates Z: 23 29.530 2.004 0.660 0.861 0.909 0.636 CB 1.530 23 residues pruned to eliminate duplicates Z: 30 50.331 2.080 0.927 0.943 1.000 0.483 CA 1.615 30 residues pruned to eliminate duplicates Z: 23 34.236 2.043 0.817 0.913 1.000 0.773 CB 1.392 23 residues pruned to eliminate duplicates Z: 26 29.022 1.927 0.700 0.925 0.960 0.440 CB 1.296 26 residues pruned to eliminate duplicates Z: 27 33.127 2.044 0.676 0.921 0.923 0.808 CB 1.447 27 residues pruned to eliminate duplicates Z: 27 31.726 1.932 0.760 0.898 0.962 0.385 CA 1.361 27 residues pruned to eliminate duplicates Z: 43 36.608 2.087 0.377 0.784 1.000 0.738 CB 1.531 32 residues pruned to eliminate duplicates Z: 30 31.416 2.039 0.328 0.932 1.000 0.862 CA 1.505 30 residues pruned to eliminate duplicates Z: 29 21.049 1.921 0.338 0.853 0.929 0.607 CA 1.232 29 residues pruned to eliminate duplicates Z: 11 15.036 1.844 0.563 0.841 0.900 0.700 CB 1.367 11 residues pruned to eliminate duplicates Z: 16 12.179 1.731 0.167 0.909 1.000 0.933 CB 1.105 Z: 22 28.311 2.061 0.928 0.824 0.857 0.667 CB 1.370 23 residues pruned to eliminate duplicates Z: 15 12.331 1.789 0.295 0.782 0.714 0.571 CB 1.553 15 residues pruned to eliminate duplicates Z: 10 13.239 2.000 0.652 0.918 0.778 0.444 CB 1.211 10 residues pruned to eliminate duplicates Z: 11 15.329 2.032 0.312 0.875 1.000 0.900 CB 1.322 11 residues pruned to eliminate duplicates Z: 28 38.387 1.999 0.818 0.940 1.000 0.630 CB 1.412 28 residues pruned to eliminate duplicates Z: 10 13.110 1.928 0.221 0.841 1.000 0.556 CA 1.385 10 residues pruned to eliminate duplicates Z: 27 32.649 1.920 0.765 0.886 1.000 0.692 CA 1.363 27 residues pruned to eliminate duplicates Z: 18 15.249 1.802 0.368 0.867 0.941 0.706 CA 1.167 18 residues pruned to eliminate duplicates Z: 11 11.920 1.862 0.391 0.775 0.900 0.400 CB 1.269 11 residues pruned to eliminate duplicates Z: 27 40.171 1.968 0.927 0.925 1.000 0.385 CB 1.458 27 residues pruned to eliminate duplicates Z: 29 44.151 2.093 0.811 0.934 0.964 0.357 CB 1.592 29 residues pruned to eliminate duplicates Z: 17 14.926 1.793 0.493 0.877 1.000 0.625 CB 1.012 16 residues pruned to eliminate duplicates Z: 30 32.736 2.014 0.467 0.875 1.000 0.793 CB 1.497 30 residues pruned to eliminate duplicates Z: 29 22.597 1.971 0.322 0.901 0.929 0.679 CB 1.260 29 residues pruned to eliminate duplicates Z: 25 25.100 1.889 0.477 0.887 0.958 0.792 CA 1.382 25 residues pruned to eliminate duplicates Z: 30 30.898 1.895 0.580 0.915 1.000 0.862 CA 1.355 30 residues pruned to eliminate duplicates Z: 26 42.138 2.064 1.126 0.946 1.000 0.680 CB 1.329 25 residues pruned to eliminate duplicates Z: 23 34.026 2.097 0.708 0.902 1.000 0.864 CB 1.446 23 residues pruned to eliminate duplicates Z: 26 25.260 1.986 0.437 0.875 1.000 0.680 CB 1.287 26 residues pruned to eliminate duplicates Z: 30 48.961 2.107 0.919 0.950 0.966 0.793 CA 1.607 30 residues pruned to eliminate duplicates Z: 9 15.797 1.993 0.300 0.852 1.000 0.875 CA 1.595 9 residues pruned to eliminate duplicates Z: 28 32.355 1.888 0.794 0.885 0.963 0.667 CA 1.379 28 residues pruned to eliminate duplicates Z: 10 16.437 1.999 0.808 0.912 0.889 0.444 CB 1.208 10 residues pruned to eliminate duplicates Z: 10 17.480 2.025 0.684 0.924 1.000 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 27 39.045 1.975 1.114 0.899 0.962 0.308 CA 1.364 30 residues pruned to eliminate duplicates Z: 27 34.705 1.981 0.680 0.930 1.000 0.769 CA 1.429 27 residues pruned to eliminate duplicates Z: 30 24.178 2.028 0.408 0.645 0.897 0.621 CA 1.532 30 residues pruned to eliminate duplicates Z: 26 25.159 1.978 0.466 0.908 0.960 0.480 CB 1.284 26 residues pruned to eliminate duplicates Z: 28 33.355 2.016 0.660 0.901 1.000 0.852 CB 1.369 28 residues pruned to eliminate duplicates Z: 10 15.994 2.009 0.610 0.910 0.889 0.667 CB 1.315 10 residues pruned to eliminate duplicates Z: 22 29.266 2.095 0.802 0.896 0.905 0.571 CB 1.340 22 residues pruned to eliminate duplicates Z: 22 29.800 2.045 0.608 0.934 1.000 0.952 CA 1.380 22 residues pruned to eliminate duplicates Z: 18 11.819 1.731 0.258 0.860 0.941 0.706 CB 1.029 18 residues pruned to eliminate duplicates Z: 28 34.653 2.040 0.809 0.878 0.963 0.481 CB 1.363 28 residues pruned to eliminate duplicates Z: 18 18.341 1.915 0.368 0.910 1.000 0.824 CB 1.204 18 residues pruned to eliminate duplicates Z: 30 51.561 2.105 0.939 0.953 1.000 0.655 CA 1.614 30 residues pruned to eliminate duplicates Z: 11 15.045 1.789 0.503 0.741 1.000 0.600 N 1.426 11 residues pruned to eliminate duplicates Z: 29 27.393 1.984 0.338 0.900 1.000 0.821 CA 1.393 29 residues pruned to eliminate duplicates Z: 21 36.991 2.183 0.878 0.925 0.950 0.850 CB 1.491 21 residues pruned to eliminate duplicates Z: 28 27.378 1.944 0.558 0.923 0.963 0.889 CA 1.269 28 residues pruned to eliminate duplicates Z: 30 40.945 2.108 0.657 0.924 1.000 0.862 CA 1.529 30 residues pruned to eliminate duplicates Z: 26 34.261 2.062 0.941 0.942 0.920 0.480 CB 1.291 26 residues pruned to eliminate duplicates Z: 27 28.320 1.863 0.711 0.927 1.000 0.692 CA 1.221 26 residues pruned to eliminate duplicates Z: 14 10.815 1.607 0.447 0.800 1.000 0.692 CA 0.993 14 residues pruned to eliminate duplicates Z: 28 24.611 1.928 0.422 0.895 0.963 0.741 CB 1.285 27 residues pruned to eliminate duplicates Z: 22 30.664 2.119 0.627 0.933 1.000 0.714 CB 1.354 22 residues pruned to eliminate duplicates Z: 27 32.725 1.949 0.715 0.916 0.962 0.577 CB 1.411 27 residues pruned to eliminate duplicates Z: 28 39.292 2.003 1.175 0.893 0.926 0.444 CB 1.346 28 residues pruned to eliminate duplicates Z: 27 32.209 2.005 1.108 0.807 0.885 0.308 CA 1.293 27 residues pruned to eliminate duplicates Z: 26 41.969 2.033 0.989 0.964 0.960 0.760 CB 1.476 29 residues pruned to eliminate duplicates Z: 23 26.923 1.908 0.729 0.909 1.000 0.864 CA 1.235 23 residues pruned to eliminate duplicates Z: 28 25.938 1.947 0.699 0.908 0.852 0.519 CB 1.259 28 residues pruned to eliminate duplicates Z: 16 29.326 2.065 0.601 0.933 1.000 0.667 CB 1.598 16 residues pruned to eliminate duplicates Z: 29 47.953 2.111 0.987 0.953 0.964 0.357 CB 1.542 29 residues pruned to eliminate duplicates Z: 33 31.597 2.057 0.342 0.846 1.000 0.750 CB 1.503 33 residues pruned to eliminate duplicates Z: 25 24.332 1.978 0.401 0.931 1.000 0.792 CB 1.253 25 residues pruned to eliminate duplicates Z: 15 14.743 1.815 0.698 0.866 0.929 0.786 CA 1.008 15 residues pruned to eliminate duplicates Z: 19 23.563 1.784 0.886 0.876 0.944 0.611 CA 1.269 19 residues pruned to eliminate duplicates Z: 29 31.529 1.966 0.455 0.886 0.964 0.893 CB 1.558 29 residues pruned to eliminate duplicates Z: 27 32.216 1.923 0.810 0.918 0.962 0.615 CA 1.331 27 residues pruned to eliminate duplicates Z: 22 32.100 1.945 0.825 0.905 1.000 0.810 CA 1.404 22 residues pruned to eliminate duplicates Z: 29 38.993 1.942 0.847 0.949 1.000 0.750 CB 1.417 29 residues pruned to eliminate duplicates Z: 28 30.692 1.930 0.667 0.913 0.926 0.741 CA 1.404 28 residues pruned to eliminate duplicates Z: 6 4.257 1.743 0.222 0.844 0.800 0.600 CB 0.831 6 residues pruned to eliminate duplicates Z: 17 13.264 1.804 0.393 0.900 1.000 0.688 CB 0.942 17 residues pruned to eliminate duplicates Z: 27 24.953 1.931 0.505 0.884 1.000 0.769 CB 1.217 27 residues pruned to eliminate duplicates Z: 25 25.116 2.048 0.551 0.902 0.917 0.833 CB 1.256 25 residues pruned to eliminate duplicates Z: 16 13.462 1.830 0.295 0.860 0.933 0.600 CB 1.155 17 residues pruned to eliminate duplicates Z: 27 24.602 2.015 0.539 0.868 0.885 0.462 CA 1.285 27 residues pruned to eliminate duplicates Z: 10 14.969 1.958 0.255 0.868 1.000 0.778 CB 1.484 10 residues pruned to eliminate duplicates Z: 30 50.403 2.104 0.871 0.944 1.000 0.655 CA 1.647 30 residues pruned to eliminate duplicates Z: 33 30.459 2.058 0.378 0.836 0.969 0.719 CB 1.467 33 residues pruned to eliminate duplicates Z: 27 34.967 2.032 0.733 0.936 1.000 0.808 CB 1.356 27 residues pruned to eliminate duplicates Z: 27 26.762 1.878 0.536 0.910 1.000 0.885 CA 1.291 26 residues pruned to eliminate duplicates Z: 28 30.169 2.009 0.538 0.906 1.000 0.815 CB 1.335 28 residues pruned to eliminate duplicates Z: 31 30.167 1.928 0.531 0.871 0.967 0.733 CB 1.408 31 residues pruned to eliminate duplicates Z: 21 16.802 1.932 0.297 0.926 1.000 0.900 CA 1.052 21 residues pruned to eliminate duplicates Z: 21 34.275 2.109 0.593 0.943 1.000 0.650 CB 1.580 21 residues pruned to eliminate duplicates Z: 27 37.457 1.968 0.828 0.932 0.962 0.577 CA 1.483 28 residues pruned to eliminate duplicates Z: 27 35.633 2.068 0.612 0.938 1.000 0.615 CB 1.457 27 residues pruned to eliminate duplicates Z: 46 38.523 2.060 0.632 0.869 0.956 0.867 CA 1.305 46 residues pruned to eliminate duplicates Z: 6 4.733 1.577 0.362 0.757 0.800 0.800 O 0.980 6 residues pruned to eliminate duplicates Z: 40 31.156 2.007 0.407 0.826 0.949 0.641 CB 1.403 40 residues pruned to eliminate duplicates Z: 26 37.842 2.039 0.941 0.945 1.000 0.480 CB 1.323 26 residues pruned to eliminate duplicates Z: 22 35.667 2.105 0.833 0.925 0.952 0.905 CB 1.486 22 residues pruned to eliminate duplicates Z: 28 31.960 1.877 0.769 0.932 0.963 0.593 CB 1.343 28 residues pruned to eliminate duplicates Z: 22 33.854 2.048 0.696 0.928 1.000 0.762 CA 1.490 23 residues pruned to eliminate duplicates Z: 29 31.685 1.870 0.838 0.902 0.929 0.464 CA 1.339 29 residues pruned to eliminate duplicates Z: 27 40.837 2.054 0.945 0.947 0.962 0.385 CB 1.440 29 residues pruned to eliminate duplicates Z: 20 27.147 1.932 0.589 0.916 0.947 0.684 CB 1.512 20 residues pruned to eliminate duplicates Z: 28 30.707 1.904 0.675 0.863 0.963 0.741 CB 1.412 28 residues pruned to eliminate duplicates Z: 27 22.347 1.939 0.372 0.902 0.962 0.808 CB 1.222 27 residues pruned to eliminate duplicates Z: 13 12.319 1.862 0.641 0.814 0.833 0.667 CA 1.063 13 residues pruned to eliminate duplicates Z: 27 20.488 1.955 0.307 0.898 0.962 0.808 CA 1.170 27 residues pruned to eliminate duplicates Z: 12 16.294 1.880 0.783 0.898 0.909 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 18 16.228 1.732 0.557 0.916 1.000 0.765 CB 1.030 16 residues pruned to eliminate duplicates Z: 29 36.957 1.957 0.780 0.931 1.000 0.679 CB 1.402 29 residues pruned to eliminate duplicates Z: 14 16.551 1.738 0.673 0.776 0.923 0.615 CA 1.341 13 residues pruned to eliminate duplicates Z: 25 32.984 2.054 0.761 0.915 0.958 0.875 CB 1.372 25 residues pruned to eliminate duplicates Z: 24 28.678 1.843 1.072 0.846 0.957 0.304 CB 1.216 24 residues pruned to eliminate duplicates Z: 28 33.788 1.884 0.913 0.867 0.963 0.519 CB 1.371 28 residues pruned to eliminate duplicates Z: 27 44.492 2.061 1.088 0.931 1.000 0.500 CB 1.417 28 residues pruned to eliminate duplicates Z: 24 34.106 2.054 0.701 0.942 1.000 0.391 CB 1.412 24 residues pruned to eliminate duplicates Z: 27 39.282 1.947 1.214 0.902 0.962 0.500 CB 1.325 27 residues pruned to eliminate duplicates Z: 27 23.406 1.958 0.351 0.928 0.962 0.769 CB 1.265 27 residues pruned to eliminate duplicates Z: 30 36.341 1.988 0.642 0.907 0.966 0.690 CB 1.521 30 residues pruned to eliminate duplicates Z: 28 32.783 1.998 0.924 0.891 0.926 0.481 CB 1.274 28 residues pruned to eliminate duplicates Z: 27 35.471 1.933 0.787 0.928 1.000 0.462 CB 1.410 27 residues pruned to eliminate duplicates Z: 26 32.321 2.058 0.686 0.929 1.000 0.880 CB 1.303 26 residues pruned to eliminate duplicates Z: 30 27.358 1.925 0.624 0.862 0.931 0.621 CB 1.282 28 residues pruned to eliminate duplicates Z: 7 4.252 1.670 0.319 0.513 0.667 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 24 28.207 2.070 0.524 0.897 1.000 0.739 CA 1.335 24 residues pruned to eliminate duplicates Z: 10 8.700 1.743 0.380 0.902 0.889 0.889 CB 0.967 10 residues pruned to eliminate duplicates Z: 16 9.930 1.856 0.263 0.399 0.933 0.600 CB 1.304 17 residues pruned to eliminate duplicates Z: 28 34.524 2.042 0.664 0.937 1.000 0.741 CB 1.361 28 residues pruned to eliminate duplicates Z: 27 28.782 1.868 0.726 0.912 0.962 0.808 CA 1.290 27 residues pruned to eliminate duplicates Z: 27 27.735 1.995 0.670 0.874 0.885 0.654 CA 1.342 28 residues pruned to eliminate duplicates Z: 32 43.234 2.111 0.737 0.869 0.968 0.806 CA 1.600 32 residues pruned to eliminate duplicates Z: 11 13.460 1.810 0.756 0.853 0.900 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 9 16.859 1.913 0.824 0.899 1.000 0.625 CA 1.221 9 residues pruned to eliminate duplicates Z: 29 24.088 2.021 0.358 0.709 0.929 0.679 CB 1.477 29 residues pruned to eliminate duplicates Z: 24 24.529 1.847 0.700 0.897 0.957 0.522 CA 1.219 23 residues pruned to eliminate duplicates Z: 26 28.324 1.903 0.968 0.901 0.920 0.360 CB 1.174 26 residues pruned to eliminate duplicates Z: 24 24.687 1.979 0.634 0.869 0.913 0.652 CB 1.274 24 residues pruned to eliminate duplicates Z: 20 25.233 1.929 0.759 0.787 0.895 0.368 CB 1.481 20 residues pruned to eliminate duplicates Z: 27 28.710 1.915 0.666 0.901 0.962 0.731 CA 1.310 27 residues pruned to eliminate duplicates Z: 17 13.878 1.813 0.453 0.887 1.000 0.812 CB 0.950 17 residues pruned to eliminate duplicates Z: 27 38.102 1.931 0.913 0.933 1.000 0.692 CA 1.411 27 residues pruned to eliminate duplicates Z: 36 35.665 2.019 0.393 0.858 1.000 0.714 CA 1.579 36 residues pruned to eliminate duplicates Z: 79 61.132 2.104 0.591 0.791 0.987 0.795 CB 1.622 77 residues pruned to eliminate duplicates Z: 22 37.589 2.120 1.053 0.892 0.952 0.333 CB 1.422 22 residues pruned to eliminate duplicates Z: 29 39.246 1.965 0.886 0.927 1.000 0.607 CB 1.402 26 residues pruned to eliminate duplicates Z: 29 31.453 1.983 0.780 0.895 0.929 0.643 CB 1.300 29 residues pruned to eliminate duplicates Z: 11 17.176 2.064 0.518 0.845 0.900 0.900 CB 1.432 11 residues pruned to eliminate duplicates Z: 10 2.481 1.412 0.140 0.239 0.667 0.444 CA 1.042 Z: 17 25.285 2.014 0.849 0.916 0.938 0.562 CA 1.279 17 residues pruned to eliminate duplicates Z: 7 6.231 1.796 0.769 0.787 0.833 0.833 CB 0.747 7 residues pruned to eliminate duplicates Z: 10 6.658 1.696 0.453 0.853 0.778 0.556 CB 0.856 10 residues pruned to eliminate duplicates Z: 18 16.354 1.892 0.649 0.673 0.882 0.529 CB 1.229 18 residues pruned to eliminate duplicates Z: 28 30.464 1.950 0.810 0.882 0.926 0.444 CB 1.299 28 residues pruned to eliminate duplicates Z: 27 21.597 1.923 0.374 0.883 0.923 0.846 CB 1.256 27 residues pruned to eliminate duplicates Z: 28 28.073 2.019 0.528 0.886 0.963 0.667 CA 1.312 29 residues pruned to eliminate duplicates Z: 28 25.663 1.942 0.619 0.901 0.963 0.593 CB 1.164 28 residues pruned to eliminate duplicates Z: 28 31.239 2.041 0.640 0.880 0.926 0.667 CB 1.406 28 residues pruned to eliminate duplicates Z: 16 16.411 1.815 0.461 0.902 0.933 0.733 CB 1.222 16 residues pruned to eliminate duplicates Z: 28 32.822 2.010 0.720 0.921 1.000 0.630 CB 1.286 28 residues pruned to eliminate duplicates Z: 11 14.844 1.783 0.676 0.815 1.000 0.500 CB 1.195 11 residues pruned to eliminate duplicates Z: 21 27.222 1.929 0.916 0.816 0.950 0.600 CA 1.317 21 residues pruned to eliminate duplicates Z: 10 8.438 1.722 0.401 0.897 1.000 0.889 CB 0.835 10 residues pruned to eliminate duplicates Z: 29 27.307 1.907 0.708 0.916 0.964 0.571 CB 1.161 29 residues pruned to eliminate duplicates Z: 12 15.814 1.871 0.587 0.922 1.000 0.909 CB 1.130 12 residues pruned to eliminate duplicates Z: 27 32.207 1.956 0.711 0.897 1.000 0.769 CA 1.351 27 residues pruned to eliminate duplicates Z: 17 12.874 1.789 0.341 0.904 1.000 0.875 CB 0.955 17 residues pruned to eliminate duplicates Z: 27 30.780 1.938 0.799 0.906 0.923 0.500 CB 1.334 27 residues pruned to eliminate duplicates Z: 8 7.328 1.752 0.525 0.895 0.857 0.286 CB 0.867 8 residues pruned to eliminate duplicates Z: 23 31.916 2.092 0.837 0.887 0.955 0.773 CB 1.337 23 residues pruned to eliminate duplicates Z: 17 15.514 1.734 0.792 0.888 1.000 0.562 CB 0.899 18 residues pruned to eliminate duplicates Z: 17 18.571 1.735 0.727 0.900 0.938 0.688 CB 1.180 17 residues pruned to eliminate duplicates Z: 40 23.444 1.955 0.513 0.742 0.897 0.744 CB 1.139 40 residues pruned to eliminate duplicates Z: 24 40.613 2.089 0.990 0.955 1.000 0.739 CB 1.399 24 residues pruned to eliminate duplicates Z: 19 8.432 1.763 0.300 0.594 0.833 0.444 CB 0.951 19 residues pruned to eliminate duplicates Z: 25 24.942 1.958 0.425 0.918 0.958 0.708 CB 1.342 25 residues pruned to eliminate duplicates Z: 57 39.495 1.968 0.484 0.716 0.929 0.750 CA 1.600 57 residues pruned to eliminate duplicates Z: 18 22.338 1.970 0.608 0.905 1.000 0.765 CB 1.218 18 residues pruned to eliminate duplicates Z: 6 2.004 1.101 0.462 0.398 0.800 0.600 CB 0.775 Z: 25 37.820 2.069 1.022 0.925 0.958 0.500 CB 1.352 25 residues pruned to eliminate duplicates Z: 16 15.045 1.851 0.486 0.712 0.867 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 15 16.406 1.825 0.714 0.925 0.929 0.571 CB 1.059 15 residues pruned to eliminate duplicates Z: 17 13.154 1.805 0.513 0.609 0.812 0.625 CA 1.336 12 residues pruned to eliminate duplicates Z: 15 18.430 1.859 0.648 0.922 0.929 0.643 CB 1.217 16 residues pruned to eliminate duplicates Z: 6 2.977 1.457 0.818 0.572 0.800 0.600 CB 0.586 Z: 26 22.272 1.986 0.366 0.896 0.960 0.880 CB 1.226 26 residues pruned to eliminate duplicates Z: 19 14.050 1.704 0.545 0.826 1.000 0.611 CB 0.948 19 residues pruned to eliminate duplicates Z: 17 9.276 1.745 0.276 0.643 0.875 0.625 CB 1.042 18 residues pruned to eliminate duplicates Z: 8 8.510 1.699 0.300 0.871 1.000 0.714 CA 1.063 8 residues pruned to eliminate duplicates Z: 23 27.882 1.974 0.604 0.936 1.000 0.818 CA 1.307 23 residues pruned to eliminate duplicates Z: 26 29.740 1.903 0.628 0.906 0.960 0.800 CA 1.422 26 residues pruned to eliminate duplicates Z: 57 40.970 2.002 0.734 0.848 0.875 0.589 CA 1.337 57 residues pruned to eliminate duplicates Z: 23 26.690 1.897 0.629 0.916 1.000 0.909 CA 1.300 23 residues pruned to eliminate duplicates Z: 29 35.300 1.975 0.748 0.893 1.000 0.786 CA 1.387 29 residues pruned to eliminate duplicates Z: 67 42.190 1.979 0.665 0.815 0.939 0.500 CB 1.276 70 residues pruned to eliminate duplicates Z: 18 24.003 1.930 0.520 0.920 0.941 0.706 CA 1.485 18 residues pruned to eliminate duplicates Z: 23 29.806 1.989 0.798 0.931 0.955 0.591 CA 1.301 23 residues pruned to eliminate duplicates Z: 10 7.537 1.666 0.546 0.818 0.889 0.556 CB 0.832 10 residues pruned to eliminate duplicates Z: 14 11.789 1.734 0.387 0.835 0.846 0.538 CB 1.205 14 residues pruned to eliminate duplicates Z: 28 30.336 1.865 0.855 0.872 0.926 0.444 CB 1.329 28 residues pruned to eliminate duplicates Z: 45 39.426 2.017 0.670 0.738 1.000 0.568 CB 1.425 45 residues pruned to eliminate duplicates Z: 6 2.523 1.590 0.335 0.100 0.800 0.200 CB 1.108 6 residues pruned to eliminate duplicates Z: 11 10.477 1.813 0.558 0.708 0.900 0.800 CA 1.079 11 residues pruned to eliminate duplicates Z: 27 21.725 1.925 0.327 0.930 0.962 0.962 CB 1.213 27 residues pruned to eliminate duplicates Z: 6 3.563 1.606 0.126 0.810 1.000 0.600 CB 0.672 6 residues pruned to eliminate duplicates Z: 6 7.453 1.840 0.124 0.798 1.000 0.800 CB 1.242 6 residues pruned to eliminate duplicates Z: 49 44.945 2.042 0.772 0.747 0.979 0.417 CB 1.469 49 residues pruned to eliminate duplicates Z: 27 22.783 1.955 0.658 0.832 0.846 0.654 CA 1.223 27 residues pruned to eliminate duplicates Z: 32 30.099 1.818 0.861 0.696 0.935 0.452 CB 1.429 32 residues pruned to eliminate duplicates Z: 22 16.679 1.874 0.449 0.794 0.905 0.714 CA 1.144 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 11.672 1.798 0.183 0.844 1.000 0.812 CB 1.021 17 residues pruned to eliminate duplicates Z: 21 11.691 1.750 0.214 0.692 0.950 0.500 CB 1.087 21 residues pruned to eliminate duplicates Z: 17 13.242 1.823 0.217 0.875 1.000 0.875 CB 1.085 17 residues pruned to eliminate duplicates Z: 16 15.331 1.869 0.453 0.910 0.933 0.800 CB 1.108 16 residues pruned to eliminate duplicates Z: 16 15.579 1.859 0.432 0.895 1.000 0.867 CB 1.084 16 residues pruned to eliminate duplicates Z: 21 14.390 1.743 0.461 0.714 1.000 0.550 CB 1.041 16 residues pruned to eliminate duplicates Z: 19 15.097 1.708 0.546 0.911 1.000 0.778 CB 0.955 19 residues pruned to eliminate duplicates Z: 16 18.310 1.842 0.702 0.874 1.000 0.667 CB 1.097 16 residues pruned to eliminate duplicates Z: 17 19.002 1.813 0.619 0.899 1.000 0.500 CB 1.157 17 residues pruned to eliminate duplicates Z: 17 16.165 1.801 0.712 0.855 1.000 0.688 CB 0.967 17 residues pruned to eliminate duplicates Z: 17 15.995 1.791 0.584 0.841 1.000 0.688 CB 1.051 22 residues pruned to eliminate duplicates Z: 18 15.876 1.751 0.535 0.902 1.000 0.706 CB 1.022 18 residues pruned to eliminate duplicates Z: 16 17.778 1.870 0.493 0.916 1.000 0.867 CB 1.161 16 residues pruned to eliminate duplicates Z: 15 17.312 1.868 0.599 0.901 1.000 0.643 CB 1.106 15 residues pruned to eliminate duplicates Z: 17 15.444 1.810 0.463 0.871 0.938 0.625 CB 1.135 17 residues pruned to eliminate duplicates Z: 71 36.088 1.942 0.455 0.772 0.957 0.671 CB 1.254 72 residues pruned to eliminate duplicates Z: 30 25.597 1.902 0.445 0.892 0.966 0.759 CB 1.288 30 residues pruned to eliminate duplicates Z: 56 40.283 2.021 0.585 0.843 0.964 0.618 CB 1.311 56 residues pruned to eliminate duplicates Z: 38 24.725 1.972 0.498 0.671 0.865 0.595 CB 1.358 38 residues pruned to eliminate duplicates Z: 30 24.704 1.969 0.447 0.804 0.931 0.793 CB 1.326 30 residues pruned to eliminate duplicates Z: 26 13.343 1.858 0.432 0.597 0.800 0.640 CB 1.143 26 residues pruned to eliminate duplicates Z: 30 26.683 1.969 0.503 0.842 1.000 0.793 CB 1.248 30 residues pruned to eliminate duplicates Z: 14 12.335 2.038 -0.024 0.855 1.000 0.846 CB 1.269 14 residues pruned to eliminate duplicates Z: 53 42.642 2.030 0.598 0.882 1.000 0.731 CB 1.319 53 residues pruned to eliminate duplicates Z: 16 11.247 1.934 0.224 0.666 0.800 0.667 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 16.886 1.968 0.625 0.712 0.867 0.600 CB 1.298 16 residues pruned to eliminate duplicates Z: 19 14.494 1.931 0.481 0.641 0.833 0.611 CB 1.256 19 residues pruned to eliminate duplicates Z: 53 34.520 1.961 0.764 0.683 0.923 0.462 CB 1.268 53 residues pruned to eliminate duplicates Z: 39 24.378 1.903 0.682 0.692 0.842 0.474 CB 1.231 39 residues pruned to eliminate duplicates Z: 55 44.943 2.013 0.855 0.846 0.944 0.574 CB 1.288 55 residues pruned to eliminate duplicates Z: 34 20.691 1.920 0.649 0.601 0.879 0.606 CB 1.176 34 residues pruned to eliminate duplicates Z: 21 22.323 2.120 0.384 0.885 0.950 0.850 CA 1.293 21 residues pruned to eliminate duplicates Z: 22 30.609 2.094 0.849 0.879 0.905 0.714 CA 1.382 22 residues pruned to eliminate duplicates Z: 23 26.304 2.095 0.488 0.895 0.955 0.864 CB 1.351 23 residues pruned to eliminate duplicates Z: 41 29.609 1.976 0.511 0.801 0.950 0.600 CB 1.269 41 residues pruned to eliminate duplicates Z: 25 30.983 2.092 0.649 0.916 0.958 0.708 CA 1.351 25 residues pruned to eliminate duplicates Z: 25 33.008 2.101 0.637 0.927 1.000 0.708 CA 1.373 25 residues pruned to eliminate duplicates Z: 25 29.972 2.092 0.655 0.864 0.958 0.625 CA 1.351 25 residues pruned to eliminate duplicates Z: 40 33.308 2.012 0.576 0.822 0.974 0.615 CB 1.307 40 residues pruned to eliminate duplicates Z: 39 38.326 2.039 0.687 0.868 0.947 0.632 CB 1.394 39 residues pruned to eliminate duplicates Z: 25 31.405 2.089 0.660 0.921 1.000 0.750 CA 1.301 25 residues pruned to eliminate duplicates Z: 25 34.280 2.089 0.761 0.927 1.000 0.708 CB 1.333 25 residues pruned to eliminate duplicates Z: 24 41.199 2.127 1.042 0.917 1.000 0.652 CB 1.395 24 residues pruned to eliminate duplicates Z: 26 35.652 2.059 0.944 0.933 0.960 0.640 CB 1.295 26 residues pruned to eliminate duplicates Z: 24 36.555 2.114 0.950 0.894 0.957 0.609 CB 1.387 24 residues pruned to eliminate duplicates Z: 25 37.831 2.100 0.962 0.935 0.958 0.583 CB 1.363 25 residues pruned to eliminate duplicates Z: 25 39.932 2.080 1.019 0.886 1.000 0.792 CB 1.401 25 residues pruned to eliminate duplicates Z: 53 37.179 1.999 0.681 0.691 0.904 0.673 CB 1.425 53 residues pruned to eliminate duplicates Z: 50 36.643 2.025 0.607 0.774 0.939 0.612 CB 1.345 50 residues pruned to eliminate duplicates Z: 53 28.321 1.958 0.433 0.711 0.904 0.654 CB 1.278 39 residues pruned to eliminate duplicates Z: 25 36.016 2.095 0.788 0.924 1.000 0.750 CA 1.378 25 residues pruned to eliminate duplicates Z: 52 36.530 2.017 0.595 0.782 0.941 0.608 CB 1.318 52 residues pruned to eliminate duplicates Z: 28 36.969 2.051 0.792 0.920 1.000 0.630 CB 1.363 28 residues pruned to eliminate duplicates Z: 38 37.397 1.936 0.907 0.749 0.973 0.270 CB 1.370 19 residues pruned to eliminate duplicates Z: 28 34.847 2.053 0.714 0.888 1.000 0.667 CB 1.373 28 residues pruned to eliminate duplicates Z: 41 41.941 2.015 0.756 0.858 1.000 0.625 CB 1.380 41 residues pruned to eliminate duplicates Z: 30 21.308 1.953 0.316 0.717 0.931 0.483 CB 1.358 30 residues pruned to eliminate duplicates Z: 37 22.074 1.930 0.395 0.667 0.917 0.472 CB 1.277 37 residues pruned to eliminate duplicates Z: 54 38.848 1.993 0.710 0.808 0.925 0.491 CB 1.294 54 residues pruned to eliminate duplicates Z: 51 30.566 2.022 0.390 0.760 0.900 0.760 CB 1.356 51 residues pruned to eliminate duplicates Z: 53 40.432 2.024 0.539 0.864 0.981 0.788 CB 1.346 53 residues pruned to eliminate duplicates Z: 53 41.182 2.026 0.579 0.824 0.942 0.673 CB 1.431 51 residues pruned to eliminate duplicates Z: 25 22.041 1.963 0.396 0.920 1.000 0.875 CB 1.156 25 residues pruned to eliminate duplicates Z: 40 46.365 2.027 0.996 0.801 0.974 0.513 CB 1.448 39 residues pruned to eliminate duplicates Z: 27 24.956 1.977 0.455 0.906 0.962 0.731 CB 1.258 27 residues pruned to eliminate duplicates Z: 56 36.576 1.956 0.567 0.784 0.964 0.636 CB 1.301 56 residues pruned to eliminate duplicates Z: 81 58.757 2.048 0.718 0.856 0.988 0.725 CB 1.394 81 residues pruned to eliminate duplicates Z: 78 57.108 2.036 0.786 0.829 0.987 0.610 CB 1.364 78 residues pruned to eliminate duplicates Z: 38 32.628 2.023 0.630 0.778 0.973 0.811 CB 1.308 38 residues pruned to eliminate duplicates Z: 27 34.444 2.049 1.001 0.715 0.962 0.731 CB 1.409 27 residues pruned to eliminate duplicates Z: 78 51.011 2.015 0.762 0.831 0.961 0.455 CB 1.281 78 residues pruned to eliminate duplicates Z: 26 35.245 2.079 0.879 0.790 0.920 0.640 CB 1.520 26 residues pruned to eliminate duplicates Z: 59 38.385 2.002 0.672 0.780 0.948 0.552 CB 1.241 59 residues pruned to eliminate duplicates Z: 39 38.952 2.046 0.676 0.813 0.947 0.816 CB 1.481 39 residues pruned to eliminate duplicates Z: 81 59.185 2.025 0.807 0.858 0.975 0.550 CB 1.366 81 residues pruned to eliminate duplicates Z: 55 46.900 2.047 0.693 0.838 0.981 0.704 CB 1.402 55 residues pruned to eliminate duplicates Z: 42 36.590 2.010 0.785 0.771 0.927 0.634 CB 1.352 42 residues pruned to eliminate duplicates Z: 57 43.910 2.002 0.799 0.738 0.946 0.589 CB 1.391 57 residues pruned to eliminate duplicates Z: 58 46.684 1.996 0.887 0.831 0.930 0.614 CB 1.326 58 residues pruned to eliminate duplicates Z: 29 36.649 2.047 0.917 0.758 0.929 0.679 CB 1.511 29 residues pruned to eliminate duplicates Z: 64 41.094 1.952 0.794 0.745 0.889 0.603 CB 1.336 64 residues pruned to eliminate duplicates Z: 55 43.737 2.014 0.775 0.848 0.944 0.611 CB 1.308 55 residues pruned to eliminate duplicates Z: 79 58.253 2.053 0.813 0.845 0.974 0.603 CB 1.351 79 residues pruned to eliminate duplicates Z: 56 49.693 2.021 0.928 0.817 0.964 0.564 CB 1.355 56 residues pruned to eliminate duplicates Z: 55 49.278 2.025 0.901 0.810 0.963 0.519 CB 1.380 55 residues pruned to eliminate duplicates Z: 17 18.689 1.865 0.645 0.835 0.938 0.875 CB 1.216 17 residues pruned to eliminate duplicates Z: 18 19.236 1.815 0.803 0.797 0.941 0.765 CB 1.169 18 residues pruned to eliminate duplicates Z: 19 17.349 1.763 0.555 0.813 1.000 0.722 CA 1.135 19 residues pruned to eliminate duplicates Z: 17 17.719 1.859 0.654 0.803 0.938 0.688 CB 1.180 22 residues pruned to eliminate duplicates Z: 16 16.627 1.829 0.617 0.807 1.000 0.533 CB 1.110 16 residues pruned to eliminate duplicates Z: 16 21.348 1.950 0.670 0.876 0.933 0.733 CA 1.318 16 residues pruned to eliminate duplicates Z: 11 18.888 2.084 0.703 0.831 0.900 0.900 CB 1.405 11 residues pruned to eliminate duplicates Z: 17 18.827 1.885 0.686 0.822 0.938 0.750 CB 1.195 17 residues pruned to eliminate duplicates Z: 16 20.369 1.952 0.670 0.879 0.933 0.800 CB 1.254 16 residues pruned to eliminate duplicates Z: 15 21.345 1.978 0.765 0.898 0.929 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 11 25.171 2.075 0.947 0.870 1.000 0.900 CB 1.438 11 residues pruned to eliminate duplicates Z: 17 15.905 1.846 0.320 0.838 1.000 0.875 CA 1.220 17 residues pruned to eliminate duplicates Z: 21 16.728 1.799 0.739 0.685 0.850 0.500 CB 1.187 21 residues pruned to eliminate duplicates Z: 27 26.651 1.998 0.636 0.872 0.923 0.615 CA 1.263 27 residues pruned to eliminate duplicates Z: 47 39.178 2.066 0.547 0.856 0.978 0.739 CA 1.362 47 residues pruned to eliminate duplicates Z: 48 42.878 2.068 0.730 0.829 0.936 0.574 CA 1.405 48 residues pruned to eliminate duplicates Z: 15 13.118 1.762 0.862 0.659 0.929 0.429 CA 0.993 14 residues pruned to eliminate duplicates Z: 26 31.092 2.041 0.634 0.907 0.960 0.720 CA 1.380 26 residues pruned to eliminate duplicates Z: 46 42.153 2.084 0.664 0.852 0.978 0.822 CA 1.370 46 residues pruned to eliminate duplicates Z: 44 47.965 2.111 0.781 0.861 1.000 0.628 CA 1.430 44 residues pruned to eliminate duplicates Z: 47 43.011 2.073 0.745 0.845 0.957 0.761 CA 1.362 47 residues pruned to eliminate duplicates Z: 46 42.883 2.108 0.670 0.874 0.956 0.667 CA 1.382 46 residues pruned to eliminate duplicates Z: 53 50.188 2.109 0.781 0.847 0.981 0.654 CA 1.402 54 residues pruned to eliminate duplicates Z: 22 26.490 1.986 0.755 0.830 0.952 0.429 CA 1.309 22 residues pruned to eliminate duplicates Z: 49 42.472 2.032 0.820 0.792 0.938 0.500 CB 1.368 49 residues pruned to eliminate duplicates Z: 49 45.155 2.054 0.791 0.782 0.979 0.625 CA 1.411 49 residues pruned to eliminate duplicates Z: 54 44.757 2.062 0.778 0.834 0.943 0.547 CA 1.333 54 residues pruned to eliminate duplicates Z: 47 47.230 2.078 0.943 0.858 0.935 0.630 CA 1.360 46 residues pruned to eliminate duplicates Z: 30 32.296 1.959 0.894 0.828 0.931 0.310 CA 1.307 32 residues pruned to eliminate duplicates Z: 28 36.500 2.027 0.939 0.876 0.963 0.444 CA 1.349 27 residues pruned to eliminate duplicates Z: 27 32.275 1.997 0.967 0.909 0.923 0.462 CB 1.239 27 residues pruned to eliminate duplicates Z: 52 40.408 2.033 0.732 0.769 0.922 0.431 CA 1.374 52 residues pruned to eliminate duplicates Z: 41 48.732 2.132 0.988 0.859 0.925 0.650 CA 1.446 41 residues pruned to eliminate duplicates Z: 54 50.247 2.062 0.853 0.835 0.962 0.453 CA 1.406 54 residues pruned to eliminate duplicates Z: 39 51.994 2.144 0.961 0.851 1.000 0.526 CA 1.485 39 residues pruned to eliminate duplicates Z: 55 49.404 2.018 0.913 0.862 0.944 0.593 CB 1.354 55 residues pruned to eliminate duplicates Z: 38 46.683 2.165 0.967 0.854 0.946 0.541 CA 1.407 38 residues pruned to eliminate duplicates Z: 38 49.261 2.148 0.996 0.858 0.973 0.676 CA 1.430 38 residues pruned to eliminate duplicates Z: 46 50.180 2.110 0.873 0.864 0.956 0.600 CA 1.452 46 residues pruned to eliminate duplicates Z: 47 49.565 2.088 0.956 0.851 0.935 0.522 CA 1.416 47 residues pruned to eliminate duplicates Z: 43 50.276 2.100 0.951 0.833 0.976 0.548 CA 1.456 43 residues pruned to eliminate duplicates Z: 45 43.108 2.053 0.912 0.755 0.932 0.386 CA 1.416 45 residues pruned to eliminate duplicates Z: 46 55.784 2.127 0.976 0.854 1.000 0.511 CB 1.461 46 residues pruned to eliminate duplicates Z: 27 39.195 2.019 0.860 0.948 1.000 0.846 CA 1.413 27 residues pruned to eliminate duplicates Z: 54 54.282 2.083 0.901 0.830 0.981 0.623 CA 1.443 53 residues pruned to eliminate duplicates Z: 28 34.407 1.992 0.669 0.940 1.000 0.852 CB 1.383 28 residues pruned to eliminate duplicates Z: 35 45.399 2.119 0.970 0.845 0.971 0.559 CA 1.429 35 residues pruned to eliminate duplicates Z: 48 47.529 2.076 0.987 0.829 0.894 0.532 CB 1.416 48 residues pruned to eliminate duplicates Z: 47 49.140 2.084 1.011 0.856 0.913 0.522 CB 1.396 47 residues pruned to eliminate duplicates Z: 49 54.907 2.068 1.008 0.839 0.979 0.375 CA 1.455 49 residues pruned to eliminate duplicates Z: 27 36.349 2.061 0.823 0.946 0.962 0.692 CB 1.364 27 residues pruned to eliminate duplicates Z: 53 52.565 2.083 0.929 0.844 0.942 0.558 CB 1.433 53 residues pruned to eliminate duplicates Z: 39 45.160 2.100 1.012 0.824 0.921 0.395 CB 1.421 39 residues pruned to eliminate duplicates Z: 43 47.467 2.083 0.944 0.840 0.929 0.381 CB 1.453 43 residues pruned to eliminate duplicates Z: 52 43.419 2.039 0.835 0.760 0.902 0.510 CB 1.430 52 residues pruned to eliminate duplicates Z: 54 52.588 2.046 1.036 0.836 0.925 0.453 CB 1.404 54 residues pruned to eliminate duplicates Z: 45 50.671 2.100 1.004 0.835 0.955 0.432 CB 1.424 45 residues pruned to eliminate duplicates Z: 45 49.267 2.097 0.920 0.825 0.977 0.523 CB 1.425 45 residues pruned to eliminate duplicates Z: 54 57.893 2.061 1.038 0.841 0.981 0.415 CB 1.439 54 residues pruned to eliminate duplicates Z: 44 43.426 2.040 0.934 0.782 0.907 0.488 CB 1.444 44 residues pruned to eliminate duplicates Z: 56 58.648 2.058 1.049 0.885 1.000 0.327 CB 1.354 57 residues pruned to eliminate duplicates Z: 29 35.120 1.956 1.003 0.918 0.964 0.429 CB 1.239 29 residues pruned to eliminate duplicates Z: 12 16.347 1.775 0.885 0.905 0.909 0.455 CB 1.154 12 residues pruned to eliminate duplicates Z: 46 50.318 2.067 1.119 0.855 0.933 0.378 CB 1.354 46 residues pruned to eliminate duplicates Z: 47 50.881 2.060 1.158 0.831 0.913 0.435 CB 1.388 47 residues pruned to eliminate duplicates Z: 57 59.378 2.048 1.052 0.881 0.982 0.375 CB 1.392 57 residues pruned to eliminate duplicates Z: 57 55.609 2.023 1.023 0.874 0.964 0.339 CB 1.371 57 residues pruned to eliminate duplicates Z: 8 6.024 1.534 0.425 0.437 1.000 0.714 CA 1.112 Z: 6 9.364 1.734 0.491 0.773 1.000 0.400 CB 1.272 6 residues pruned to eliminate duplicates Z: 6 7.597 1.794 0.367 0.583 1.000 0.600 CB 1.279 8 residues pruned to eliminate duplicates Z: 6 6.855 1.851 0.235 0.779 0.800 0.800 CB 1.311 6 residues pruned to eliminate duplicates Z: 16 12.528 1.949 0.528 0.444 0.867 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 18 11.180 1.897 0.349 0.499 0.765 0.412 CA 1.387 18 residues pruned to eliminate duplicates Z: 44 39.970 2.095 0.616 0.749 0.953 0.721 CB 1.512 44 residues pruned to eliminate duplicates Z: 16 14.187 1.922 0.418 0.455 1.000 0.400 CA 1.407 16 residues pruned to eliminate duplicates Z: 12 11.332 1.953 0.280 0.535 1.000 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 105 63.814 2.037 0.622 0.795 0.952 0.731 CA 1.538 105 residues pruned to eliminate duplicates Z: 18 10.735 1.937 0.212 0.502 0.824 0.353 CA 1.343 18 residues pruned to eliminate duplicates Z: 44 36.952 2.083 0.428 0.760 0.930 0.791 CB 1.616 44 residues pruned to eliminate duplicates Z: 20 12.544 1.826 0.342 0.470 0.947 0.474 CA 1.278 20 residues pruned to eliminate duplicates Z: 44 39.298 2.078 0.512 0.764 0.977 0.698 CB 1.545 44 residues pruned to eliminate duplicates Z: 16 14.700 1.932 0.423 0.551 1.000 0.667 CA 1.314 16 residues pruned to eliminate duplicates Z: 33 28.064 2.064 0.481 0.649 0.938 0.688 CA 1.507 33 residues pruned to eliminate duplicates Z: 20 11.977 1.862 0.474 0.416 0.842 0.263 CA 1.297 20 residues pruned to eliminate duplicates Z: 31 28.788 2.108 0.472 0.656 0.967 0.767 CB 1.516 31 residues pruned to eliminate duplicates Z: 32 31.547 2.103 0.501 0.644 1.000 0.677 CB 1.569 32 residues pruned to eliminate duplicates Z: 38 30.557 2.072 0.492 0.660 0.973 0.703 CB 1.441 38 residues pruned to eliminate duplicates Z: 92 55.045 2.029 0.555 0.751 0.956 0.736 CB 1.530 92 residues pruned to eliminate duplicates Z: 45 39.224 2.071 0.580 0.738 0.955 0.727 CB 1.529 45 residues pruned to eliminate duplicates Z: 32 27.137 2.124 0.437 0.646 0.903 0.516 CB 1.543 32 residues pruned to eliminate duplicates Z: 78 62.173 2.113 0.619 0.803 0.987 0.740 CB 1.611 78 residues pruned to eliminate duplicates Z: 33 28.280 2.083 0.558 0.644 0.938 0.469 CB 1.436 33 residues pruned to eliminate duplicates Z: 45 37.612 2.082 0.529 0.747 0.955 0.523 CB 1.496 45 residues pruned to eliminate duplicates Z: 77 53.572 2.088 0.538 0.743 0.974 0.618 CB 1.581 77 residues pruned to eliminate duplicates Z: 28 30.876 1.995 0.447 0.909 1.000 0.704 CB 1.461 28 residues pruned to eliminate duplicates Z: 34 28.477 2.064 0.586 0.650 0.970 0.394 CB 1.358 34 residues pruned to eliminate duplicates Z: 39 35.350 2.034 0.489 0.848 0.947 0.605 CB 1.483 39 residues pruned to eliminate duplicates Z: 45 35.544 2.074 0.557 0.740 0.909 0.523 CB 1.473 45 residues pruned to eliminate duplicates Z: 79 59.133 2.100 0.625 0.786 0.962 0.654 CB 1.587 79 residues pruned to eliminate duplicates Z: 20 30.605 2.008 0.773 0.910 0.947 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 45 39.647 2.055 0.683 0.721 0.977 0.523 CB 1.448 45 residues pruned to eliminate duplicates Z: 28 35.348 2.066 0.802 0.886 0.889 0.444 CB 1.483 28 residues pruned to eliminate duplicates Z: 45 37.242 2.062 0.650 0.743 0.955 0.568 CB 1.391 45 residues pruned to eliminate duplicates Z: 44 37.470 2.071 0.560 0.758 0.977 0.442 CB 1.439 44 residues pruned to eliminate duplicates Z: 70 56.218 2.101 0.602 0.837 0.957 0.623 CB 1.573 70 residues pruned to eliminate duplicates Z: 80 63.240 2.093 0.699 0.798 0.975 0.620 CB 1.581 80 residues pruned to eliminate duplicates Z: 80 57.524 2.073 0.673 0.785 0.924 0.570 CB 1.571 80 residues pruned to eliminate duplicates Z: 64 52.009 2.076 0.694 0.761 0.968 0.556 CB 1.526 64 residues pruned to eliminate duplicates Z: 79 58.807 2.093 0.596 0.798 0.962 0.590 CB 1.597 79 residues pruned to eliminate duplicates Z: 42 33.488 2.038 0.728 0.630 0.878 0.366 CB 1.496 42 residues pruned to eliminate duplicates Z: 79 59.452 2.096 0.617 0.793 0.987 0.654 CB 1.555 79 residues pruned to eliminate duplicates Z: 78 58.766 2.096 0.659 0.787 0.948 0.623 CB 1.578 78 residues pruned to eliminate duplicates Z: 55 44.365 1.997 0.637 0.780 0.926 0.611 CA 1.558 55 residues pruned to eliminate duplicates Z: 44 42.838 2.053 0.665 0.803 0.953 0.744 CA 1.539 44 residues pruned to eliminate duplicates Z: 79 60.462 2.082 0.720 0.793 0.962 0.513 CB 1.537 79 residues pruned to eliminate duplicates Z: 73 55.064 2.086 0.707 0.761 0.944 0.542 CB 1.531 73 residues pruned to eliminate duplicates Z: 35 36.583 2.077 0.507 0.798 0.971 0.676 CA 1.591 35 residues pruned to eliminate duplicates Z: 35 41.104 2.090 0.727 0.796 0.971 0.735 CA 1.552 35 residues pruned to eliminate duplicates Z: 77 61.961 2.085 0.769 0.760 0.987 0.539 CB 1.550 77 residues pruned to eliminate duplicates Z: 29 30.594 2.077 0.385 0.893 0.929 0.750 CA 1.554 29 residues pruned to eliminate duplicates Z: 66 56.090 2.059 0.756 0.805 0.969 0.538 CB 1.521 66 residues pruned to eliminate duplicates Z: 21 26.114 1.988 0.663 0.633 0.950 0.350 CA 1.641 21 residues pruned to eliminate duplicates Z: 34 40.586 2.121 0.645 0.811 0.970 0.576 CA 1.593 34 residues pruned to eliminate duplicates Z: 33 43.611 2.114 0.705 0.840 1.000 0.750 CA 1.596 33 residues pruned to eliminate duplicates Z: 34 38.567 2.075 0.560 0.824 1.000 0.727 CA 1.567 34 residues pruned to eliminate duplicates Z: 36 41.806 2.047 0.776 0.786 0.971 0.600 CA 1.555 36 residues pruned to eliminate duplicates Z: 69 56.211 2.070 0.764 0.789 0.941 0.441 CB 1.539 69 residues pruned to eliminate duplicates Z: 80 60.929 2.070 0.736 0.776 0.962 0.519 CB 1.554 80 residues pruned to eliminate duplicates Z: 76 55.057 2.059 0.678 0.723 0.987 0.533 CB 1.525 76 residues pruned to eliminate duplicates Z: 70 64.162 2.103 0.832 0.833 0.957 0.449 CB 1.574 70 residues pruned to eliminate duplicates Z: 38 39.345 2.013 0.735 0.748 0.919 0.595 CA 1.615 38 residues pruned to eliminate duplicates Z: 34 47.425 2.101 0.825 0.834 1.000 0.545 CA 1.614 34 residues pruned to eliminate duplicates Z: 45 42.465 2.002 0.802 0.750 0.932 0.545 CB 1.525 45 residues pruned to eliminate duplicates Z: 50 38.507 1.962 0.794 0.670 0.898 0.490 CB 1.488 50 residues pruned to eliminate duplicates Z: 35 44.341 2.073 0.860 0.798 0.941 0.353 CB 1.614 35 residues pruned to eliminate duplicates Z: 77 60.083 2.057 0.836 0.758 0.974 0.355 CB 1.490 77 residues pruned to eliminate duplicates Z: 76 58.407 2.069 0.837 0.752 0.947 0.453 CB 1.497 76 residues pruned to eliminate duplicates Z: 77 55.487 2.049 0.830 0.751 0.908 0.382 CB 1.494 77 residues pruned to eliminate duplicates Z: 52 53.221 2.039 0.979 0.842 0.922 0.235 CB 1.493 52 residues pruned to eliminate duplicates Z: 35 47.935 2.080 0.935 0.810 0.971 0.265 CB 1.607 35 residues pruned to eliminate duplicates Z: 32 50.762 2.131 1.067 0.862 0.935 0.290 CB 1.624 32 residues pruned to eliminate duplicates Z: 31 51.447 2.150 1.024 0.862 0.967 0.400 CB 1.639 31 residues pruned to eliminate duplicates Z: 93 54.200 1.986 0.713 0.749 0.935 0.370 CB 1.423 93 residues pruned to eliminate duplicates Z: 36 30.572 1.968 0.939 0.623 0.857 0.114 CB 1.406 36 residues pruned to eliminate duplicates Z: 13 9.934 1.660 0.829 0.578 0.833 0.500 CB 1.052 13 residues pruned to eliminate duplicates Z: 13 8.779 1.760 0.754 0.527 0.750 0.500 CA 1.066 13 residues pruned to eliminate duplicates Z: 57 38.954 1.948 0.750 0.777 0.857 0.411 CB 1.395 57 residues pruned to eliminate duplicates Z: 47 36.035 1.989 0.830 0.725 0.870 0.326 CB 1.371 47 residues pruned to eliminate duplicates Z: 14 11.307 1.884 0.630 0.641 0.769 0.462 CA 1.164 14 residues pruned to eliminate duplicates Z: 23 26.476 1.964 0.727 0.843 0.909 0.591 CA 1.363 23 residues pruned to eliminate duplicates Z: 23 28.324 1.976 0.775 0.899 0.909 0.773 CA 1.354 23 residues pruned to eliminate duplicates Z: 17 13.928 1.718 0.857 0.714 0.938 0.438 CA 0.959 17 residues pruned to eliminate duplicates Z: 25 29.129 1.886 0.715 0.876 0.958 0.583 CA 1.395 25 residues pruned to eliminate duplicates Z: 60 47.403 1.971 0.949 0.782 0.864 0.373 CB 1.450 60 residues pruned to eliminate duplicates Z: 26 27.238 1.904 0.867 0.799 0.880 0.560 CA 1.340 26 residues pruned to eliminate duplicates Z: 24 31.652 1.989 0.934 0.857 0.870 0.565 CA 1.454 24 residues pruned to eliminate duplicates Z: 23 31.654 1.974 0.874 0.886 0.909 0.364 CB 1.448 23 residues pruned to eliminate duplicates Z: 24 28.257 1.963 0.804 0.854 0.870 0.435 CA 1.413 24 residues pruned to eliminate duplicates Z: 92 67.435 2.053 0.809 0.813 0.956 0.473 CB 1.516 92 residues pruned to eliminate duplicates Z: 58 53.364 1.995 0.979 0.808 0.930 0.333 CB 1.472 58 residues pruned to eliminate duplicates Z: 23 29.962 1.973 0.841 0.884 0.909 0.545 CA 1.398 23 residues pruned to eliminate duplicates Z: 23 27.800 1.825 0.947 0.800 0.909 0.500 CB 1.412 23 residues pruned to eliminate duplicates Z: 58 49.259 2.030 0.893 0.784 0.895 0.263 CB 1.478 58 residues pruned to eliminate duplicates Z: 28 33.783 1.947 0.885 0.846 0.889 0.296 CA 1.481 28 residues pruned to eliminate duplicates Z: 27 37.264 1.982 0.834 0.914 0.962 0.615 CA 1.478 27 residues pruned to eliminate duplicates Z: 26 31.924 1.936 1.000 0.895 0.840 0.280 CA 1.407 26 residues pruned to eliminate duplicates Z: 25 35.196 1.964 1.014 0.873 0.917 0.417 CA 1.443 25 residues pruned to eliminate duplicates Z: 27 34.677 1.974 0.822 0.886 0.923 0.462 CB 1.478 27 residues pruned to eliminate duplicates Z: 27 39.811 1.999 0.978 0.900 0.962 0.308 CB 1.467 27 residues pruned to eliminate duplicates Z: 31 31.165 1.840 0.735 0.872 0.967 0.433 CB 1.343 31 residues pruned to eliminate duplicates 274 residues left after pruning, divided into chains as follows: A: 17 B: 53 C: 21 D: 16 E: 56 F: 6 G: 105 CC for partial structure against native data = 38.10 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.393, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.517, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.515, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.758 for dens.mod. cycle 5 = 0.300, Contrast = 0.522, Connect. = 0.759 for dens.mod. cycle 6 = 0.300, Contrast = 0.525, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.528, Connect. = 0.762 for dens.mod. cycle 8 TimeTaking 101.8