++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:25:14 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: ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.ins Phases from ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.phi Native data from ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.hkl Listing output to ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.lst Phases output to ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.phs Poly-Ala trace output to ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 44794 Reflections read from file ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.phi 44794 Reflections read from file ./1vl4-2.3-parrot-hancs/1vl4-2.3-parrot-hancs.hkl 44794 Unique data, highest resolution = 2.320 Angstroms Anisotropic scaling: intensities multiplied by 0.000146h^2 +0.000070k^2 -0.000096l^2 +0.000000kl +0.000000hl +0.000000hk 128 Reflections with d > 2.520 and 0 in range 2.520 > d > 2.320 added Density sharpening factor set to 0.27 Fourier grid = 128 x 256 x 39 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.650 ** -f missing ?? ** = 0.300, Contrast = 0.510, Connect. = 0.743 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.740 for dens.mod. cycle 2 = 0.300, Contrast = 0.629, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.645, Connect. = 0.763 for dens.mod. cycle 4 = 0.300, Contrast = 0.657, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.664, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.670, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.674, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.677, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.679, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3044 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 795 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 19.648 1.827 0.644 0.915 1.000 0.938 CB 1.156 B: 11 6.123 1.922 0.638 0.323 0.800 0.500 CB 0.934 C: 24 12.826 1.713 0.660 0.522 0.870 0.478 CB 1.058 D: 15 16.331 1.876 0.768 0.853 0.857 0.643 CB 1.135 E: 51 27.333 1.884 0.632 0.572 0.940 0.720 CB 1.248 F: 35 17.508 1.942 0.691 0.327 0.824 0.588 CB 1.343 G: 15 20.936 1.769 0.682 0.932 1.000 0.857 CB 1.313 H: 18 23.642 1.846 0.867 0.890 0.941 0.765 CB 1.272 I: 17 19.159 1.671 1.008 0.611 0.938 0.625 CA 1.371 J: 16 16.822 1.793 0.786 0.914 0.867 0.800 CB 1.107 15 residues pruned to eliminate duplicates K: 20 20.158 1.969 1.014 0.388 0.895 0.684 CB 1.468 6 residues pruned to eliminate duplicates L: 21 18.985 1.688 0.953 0.814 0.950 0.600 CB 1.031 21 residues pruned to eliminate duplicates M: 12 12.844 1.856 0.500 0.571 0.909 0.545 CB 1.428 N: 7 8.228 1.897 0.457 0.820 1.000 0.667 CB 0.921 7 residues pruned to eliminate duplicates O: 17 11.889 1.726 0.681 0.585 0.875 0.500 CB 1.079 P: 16 14.336 1.700 0.892 0.629 0.867 0.667 CB 1.176 Q: 17 17.270 1.826 0.513 0.900 1.000 0.875 CB 1.117 17 residues pruned to eliminate duplicates R: 12 13.048 1.712 0.704 0.574 0.909 0.818 N 1.381 S: 8 12.224 1.927 0.408 0.706 0.857 0.429 CA 1.648 T: 6 5.831 1.639 0.435 0.808 0.800 0.600 N 1.059 6 residues pruned to eliminate duplicates U: 38 22.035 1.812 0.882 0.575 0.865 0.514 CB 1.143 17 residues pruned to eliminate duplicates V: 11 15.161 1.935 0.752 0.440 1.000 0.800 CB 1.506 W: 17 18.373 1.838 0.594 0.866 0.938 0.812 CB 1.224 17 residues pruned to eliminate duplicates X: 10 9.920 1.714 0.628 0.734 0.889 0.778 CB 1.081 Y: 7 3.938 1.703 0.385 0.570 0.833 0.667 CB 0.764 Z: 15 16.170 1.803 0.796 0.571 1.000 0.714 CB 1.245 Z: 20 10.620 1.778 0.509 0.406 0.895 0.474 CB 1.121 Z: 13 15.044 1.794 0.459 0.883 1.000 0.833 CB 1.200 13 residues pruned to eliminate duplicates Z: 22 16.802 1.802 0.684 0.461 1.000 0.667 CA 1.257 11 residues pruned to eliminate duplicates Z: 18 14.041 1.671 0.627 0.680 0.882 0.765 CB 1.203 19 residues pruned to eliminate duplicates Z: 19 24.166 1.896 0.792 0.870 0.944 0.833 CB 1.296 19 residues pruned to eliminate duplicates Z: 11 15.260 1.795 1.099 0.641 0.800 0.600 CB 1.403 5 residues pruned to eliminate duplicates Z: 17 22.150 1.837 0.706 0.936 1.000 0.812 CB 1.230 18 residues pruned to eliminate duplicates Z: 20 23.427 1.786 0.602 0.873 1.000 0.842 CB 1.369 6 residues pruned to eliminate duplicates Z: 13 6.054 1.633 0.317 0.413 0.667 0.333 CB 1.336 13 residues pruned to eliminate duplicates Z: 15 15.854 1.827 0.681 0.887 0.857 0.786 CB 1.160 15 residues pruned to eliminate duplicates Z: 14 12.622 1.793 0.310 0.698 1.000 0.692 CB 1.243 9 residues pruned to eliminate duplicates Z: 45 30.170 1.896 0.687 0.634 0.955 0.705 CB 1.314 51 residues pruned to eliminate duplicates Z: 6 5.768 1.888 0.815 0.281 0.600 0.400 CA 1.606 7 residues pruned to eliminate duplicates Z: 16 21.559 1.923 0.546 0.877 1.000 0.800 CB 1.360 Z: 9 8.193 1.593 0.436 0.823 1.000 0.750 CB 0.958 Z: 9 15.449 1.877 0.597 0.857 1.000 0.750 CB 1.343 9 residues pruned to eliminate duplicates Z: 7 12.907 1.833 0.475 0.843 1.000 0.833 N 1.451 7 residues pruned to eliminate duplicates Z: 13 16.524 1.872 0.757 0.818 0.917 0.667 CB 1.201 13 residues pruned to eliminate duplicates Z: 20 19.911 1.846 0.428 0.873 1.000 0.895 CA 1.262 20 residues pruned to eliminate duplicates Z: 13 16.667 1.822 0.763 0.729 0.917 0.750 CA 1.329 13 residues pruned to eliminate duplicates Z: 20 18.789 1.762 0.710 0.840 1.000 0.421 CB 1.067 20 residues pruned to eliminate duplicates Z: 14 14.122 1.855 0.556 0.580 0.923 0.462 CB 1.361 14 residues pruned to eliminate duplicates Z: 20 24.748 1.856 0.699 0.879 1.000 0.842 CA 1.306 20 residues pruned to eliminate duplicates Z: 16 23.201 1.918 0.628 0.898 1.000 0.933 CA 1.373 16 residues pruned to eliminate duplicates Z: 13 6.224 1.498 0.210 0.436 0.917 0.583 N 1.155 11 residues pruned to eliminate duplicates Z: 19 23.988 1.879 0.789 0.865 0.944 0.889 CB 1.306 19 residues pruned to eliminate duplicates Z: 10 18.093 1.943 1.030 0.514 1.000 0.889 CA 1.508 10 residues pruned to eliminate duplicates Z: 13 10.337 1.872 0.491 0.445 0.833 0.500 CB 1.358 3 residues pruned to eliminate duplicates Z: 17 18.505 1.820 0.718 0.899 1.000 0.562 CB 1.058 Z: 43 29.604 1.873 0.807 0.578 0.976 0.714 CB 1.282 46 residues pruned to eliminate duplicates Z: 16 16.026 1.811 0.811 0.576 0.933 0.733 CB 1.257 15 residues pruned to eliminate duplicates Z: 20 25.437 1.859 0.806 0.893 1.000 0.684 CB 1.248 20 residues pruned to eliminate duplicates Z: 18 16.521 1.782 0.619 0.905 1.000 0.824 CB 0.989 18 residues pruned to eliminate duplicates Z: 9 6.578 1.658 0.487 0.418 0.875 0.625 CA 1.174 Z: 21 8.766 1.709 0.535 0.367 0.700 0.500 CB 1.230 Z: 16 17.792 1.724 0.423 0.928 1.000 0.933 CB 1.311 15 residues pruned to eliminate duplicates Z: 20 23.373 1.806 0.892 0.878 0.947 0.632 CB 1.201 20 residues pruned to eliminate duplicates Z: 14 9.758 1.560 0.456 0.826 0.923 0.769 CB 0.973 Z: 24 16.504 1.705 0.729 0.481 0.870 0.565 CB 1.368 16 residues pruned to eliminate duplicates Z: 7 4.322 1.500 0.963 0.562 0.667 0.333 CA 0.847 7 residues pruned to eliminate duplicates Z: 22 16.142 1.911 0.833 0.410 0.857 0.619 CB 1.289 11 residues pruned to eliminate duplicates Z: 22 18.843 1.921 0.887 0.353 1.000 0.571 CA 1.331 8 residues pruned to eliminate duplicates Z: 19 17.299 1.804 0.773 0.827 0.944 0.611 CB 1.018 18 residues pruned to eliminate duplicates Z: 17 23.962 1.849 1.012 0.927 1.000 0.688 CB 1.129 16 residues pruned to eliminate duplicates Z: 18 18.215 1.835 0.854 0.855 0.941 0.588 CB 1.019 18 residues pruned to eliminate duplicates Z: 9 17.778 1.811 0.971 0.865 1.000 0.750 CB 1.290 14 residues pruned to eliminate duplicates Z: 8 10.321 1.746 0.902 0.475 0.857 0.571 CB 1.407 8 residues pruned to eliminate duplicates Z: 33 21.861 1.851 0.536 0.706 0.969 0.719 CB 1.163 17 residues pruned to eliminate duplicates Z: 12 16.112 1.900 0.893 0.866 0.818 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 30 18.167 1.939 0.802 0.310 0.897 0.517 CB 1.331 30 residues pruned to eliminate duplicates Z: 6 4.293 1.648 0.533 0.475 0.600 0.400 O 1.299 Z: 6 8.906 1.748 1.023 0.666 0.800 0.800 CB 1.207 Z: 43 28.057 1.918 0.758 0.564 0.929 0.714 CB 1.299 43 residues pruned to eliminate duplicates Z: 12 10.438 1.822 0.637 0.629 0.909 0.727 CB 1.028 12 residues pruned to eliminate duplicates Z: 10 16.728 1.840 1.055 0.614 0.889 0.778 CA 1.489 10 residues pruned to eliminate duplicates Z: 6 3.158 1.618 0.064 0.623 0.800 0.800 O 0.914 Z: 12 10.934 1.706 0.607 0.560 0.909 0.636 CA 1.248 12 residues pruned to eliminate duplicates Z: 14 19.875 1.768 0.810 0.933 1.000 0.692 CB 1.202 Z: 14 9.774 1.775 0.938 0.625 1.000 0.615 CB 0.700 13 residues pruned to eliminate duplicates Z: 19 19.056 1.811 0.699 0.863 0.944 0.778 CB 1.134 19 residues pruned to eliminate duplicates Z: 17 17.845 1.855 0.767 0.854 0.938 0.750 CB 1.072 17 residues pruned to eliminate duplicates Z: 27 13.322 1.802 0.594 0.356 0.769 0.462 CB 1.381 23 residues pruned to eliminate duplicates Z: 11 13.862 1.825 0.377 0.701 1.000 0.400 N 1.452 11 residues pruned to eliminate duplicates Z: 14 20.747 1.908 0.597 0.874 1.000 0.846 CB 1.374 14 residues pruned to eliminate duplicates Z: 21 11.752 1.679 0.512 0.496 0.850 0.700 CB 1.223 18 residues pruned to eliminate duplicates Z: 52 24.825 1.869 0.485 0.547 0.941 0.725 CB 1.271 52 residues pruned to eliminate duplicates Z: 20 24.188 1.854 1.028 0.901 0.947 0.632 CB 1.112 20 residues pruned to eliminate duplicates Z: 16 14.501 1.853 0.472 0.901 0.933 0.933 CB 1.049 16 residues pruned to eliminate duplicates Z: 14 17.914 1.837 0.737 0.602 0.923 0.769 N 1.530 16 residues pruned to eliminate duplicates Z: 34 18.135 1.938 0.710 0.409 0.818 0.545 CB 1.280 34 residues pruned to eliminate duplicates Z: 12 12.213 1.538 0.619 0.884 1.000 0.818 CB 1.068 8 residues pruned to eliminate duplicates Z: 38 18.501 1.874 0.791 0.252 0.892 0.568 CA 1.350 38 residues pruned to eliminate duplicates Z: 9 11.716 1.781 0.474 0.902 1.000 0.875 CB 1.125 5 residues pruned to eliminate duplicates Z: 12 15.550 1.740 1.008 0.725 0.818 0.818 N 1.339 12 residues pruned to eliminate duplicates Z: 8 6.253 1.793 0.161 0.711 1.000 0.714 CB 0.938 Z: 9 11.580 1.767 0.444 0.900 1.000 1.000 CB 1.146 9 residues pruned to eliminate duplicates Z: 43 22.777 1.815 0.621 0.577 0.929 0.762 CB 1.195 43 residues pruned to eliminate duplicates Z: 7 5.943 1.547 0.593 0.704 0.667 0.333 CA 1.227 7 residues pruned to eliminate duplicates Z: 54 24.955 1.910 0.651 0.396 0.906 0.660 CB 1.339 39 residues pruned to eliminate duplicates Z: 10 11.232 1.709 0.458 0.682 1.000 0.667 CB 1.271 9 residues pruned to eliminate duplicates Z: 35 19.037 1.717 0.713 0.757 0.941 0.676 CB 0.938 13 residues pruned to eliminate duplicates Z: 10 10.518 1.677 0.811 0.528 0.889 0.556 CB 1.263 9 residues pruned to eliminate duplicates Z: 16 21.641 1.892 1.057 0.942 0.933 0.800 CB 1.067 16 residues pruned to eliminate duplicates Z: 18 19.314 1.810 0.556 0.907 0.941 0.647 CB 1.256 18 residues pruned to eliminate duplicates Z: 8 4.404 1.592 0.560 0.638 0.714 0.286 CB 0.825 Z: 6 6.248 1.695 0.437 0.698 1.000 0.600 CB 0.958 Z: 12 5.549 1.789 0.077 0.412 0.818 0.636 CB 1.163 12 residues pruned to eliminate duplicates Z: 11 5.077 1.533 0.260 0.378 0.800 0.600 CB 1.183 Z: 7 6.310 1.712 0.599 0.511 0.833 0.667 CA 1.117 7 residues pruned to eliminate duplicates Z: 17 21.002 1.864 0.658 0.914 1.000 0.812 CB 1.202 15 residues pruned to eliminate duplicates Z: 18 18.345 1.806 0.756 0.839 1.000 0.588 CB 1.048 18 residues pruned to eliminate duplicates Z: 14 18.794 1.764 0.799 0.908 1.000 0.923 CB 1.168 14 residues pruned to eliminate duplicates Z: 16 22.397 1.713 1.157 0.693 0.933 0.733 N 1.406 22 residues pruned to eliminate duplicates Z: 17 18.221 1.857 0.776 0.855 1.000 0.625 CB 1.019 17 residues pruned to eliminate duplicates Z: 18 20.822 1.777 0.832 0.826 0.941 0.588 CB 1.243 18 residues pruned to eliminate duplicates Z: 15 17.922 1.684 0.550 0.885 1.000 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 20 7.171 1.694 0.531 0.220 0.737 0.421 CB 1.197 20 residues pruned to eliminate duplicates Z: 14 14.480 1.615 0.709 0.898 1.000 0.692 CB 1.040 14 residues pruned to eliminate duplicates Z: 43 19.377 1.785 0.619 0.517 0.881 0.595 CB 1.155 36 residues pruned to eliminate duplicates Z: 12 16.634 1.676 0.807 0.860 1.000 0.818 CB 1.218 12 residues pruned to eliminate duplicates Z: 20 22.195 1.767 0.663 0.866 0.947 0.789 CB 1.339 20 residues pruned to eliminate duplicates Z: 10 10.980 1.683 0.665 0.705 0.889 0.778 CB 1.219 3 residues pruned to eliminate duplicates Z: 16 10.201 1.906 0.854 0.310 0.733 0.533 CB 1.254 16 residues pruned to eliminate duplicates Z: 7 7.506 1.946 0.168 0.884 1.000 0.833 CB 0.974 7 residues pruned to eliminate duplicates Z: 10 13.696 1.572 0.663 0.864 1.000 0.889 CA 1.280 9 residues pruned to eliminate duplicates Z: 9 7.341 1.600 0.869 0.319 0.875 0.250 CA 1.211 Z: 14 10.308 1.726 1.048 0.661 0.923 0.692 CB 0.755 14 residues pruned to eliminate duplicates Z: 14 21.273 1.746 0.895 0.933 1.000 0.846 CB 1.244 14 residues pruned to eliminate duplicates Z: 15 10.616 1.775 0.420 0.465 0.786 0.429 N 1.485 15 residues pruned to eliminate duplicates Z: 27 21.084 1.811 0.414 0.761 1.000 0.769 CB 1.281 27 residues pruned to eliminate duplicates Z: 10 11.392 1.577 0.534 0.737 1.000 0.889 CB 1.269 8 residues pruned to eliminate duplicates Z: 20 18.835 1.663 0.717 0.853 0.947 0.737 CB 1.181 20 residues pruned to eliminate duplicates Z: 17 5.934 1.650 0.236 0.308 0.812 0.500 CB 1.109 Z: 19 10.482 1.736 0.387 0.447 0.889 0.500 CB 1.219 10 residues pruned to eliminate duplicates Z: 18 21.346 1.784 0.808 0.680 1.000 0.706 CB 1.360 27 residues pruned to eliminate duplicates Z: 18 14.902 1.747 0.433 0.911 1.000 0.882 CB 1.023 18 residues pruned to eliminate duplicates Z: 12 4.865 1.524 0.489 0.335 0.818 0.545 CB 0.946 Z: 17 20.308 1.866 0.696 0.899 0.938 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 20 19.311 1.795 0.570 0.851 0.947 0.842 CB 1.229 20 residues pruned to eliminate duplicates Z: 19 22.772 1.823 0.605 0.859 1.000 0.778 CB 1.351 19 residues pruned to eliminate duplicates Z: 8 2.712 1.659 0.777 0.248 0.571 0.571 CB 0.813 Z: 9 14.057 1.799 1.031 0.590 0.875 0.750 CB 1.425 Z: 9 9.818 1.587 0.274 0.863 1.000 0.750 CB 1.260 9 residues pruned to eliminate duplicates Z: 14 11.964 1.742 0.489 0.579 0.923 0.692 CB 1.284 Z: 10 14.693 1.622 0.925 0.880 0.889 0.889 CA 1.279 Z: 14 5.298 1.667 0.491 0.332 0.846 0.462 CB 0.840 17 residues pruned to eliminate duplicates Z: 59 28.397 1.857 0.704 0.501 0.914 0.690 CB 1.288 58 residues pruned to eliminate duplicates Z: 6 4.761 1.646 0.424 0.710 1.000 0.800 CB 0.750 Z: 8 9.864 1.577 0.599 0.764 1.000 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 12 9.278 1.521 0.796 0.655 0.909 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 9 10.645 1.722 0.479 0.858 1.000 1.000 CB 1.088 9 residues pruned to eliminate duplicates Z: 11 15.163 1.561 0.889 0.862 1.000 0.700 CB 1.194 11 residues pruned to eliminate duplicates Z: 20 25.422 1.852 0.761 0.885 1.000 0.684 CB 1.291 20 residues pruned to eliminate duplicates Z: 6 5.090 1.740 0.269 0.476 0.800 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 11 9.696 1.458 0.510 0.856 1.000 0.600 CB 1.027 10 residues pruned to eliminate duplicates Z: 8 2.831 1.736 0.078 0.299 0.857 0.571 CB 0.835 Z: 6 5.213 1.571 0.474 0.654 0.800 0.400 CA 1.090 6 residues pruned to eliminate duplicates Z: 40 17.151 1.708 0.689 0.556 0.846 0.564 CB 1.066 40 residues pruned to eliminate duplicates Z: 31 17.439 1.730 0.610 0.581 0.833 0.600 CB 1.270 33 residues pruned to eliminate duplicates Z: 15 11.921 1.700 0.426 0.622 0.929 0.786 CB 1.261 15 residues pruned to eliminate duplicates Z: 16 17.163 1.707 0.876 0.927 1.000 0.667 CB 0.970 16 residues pruned to eliminate duplicates Z: 17 5.988 1.676 0.785 0.221 0.812 0.438 CB 0.855 17 residues pruned to eliminate duplicates Z: 7 3.581 1.627 -0.242 0.630 0.833 0.500 CB 1.260 Z: 13 18.056 1.800 1.120 0.626 0.833 0.667 N 1.455 13 residues pruned to eliminate duplicates Z: 6 7.836 1.865 0.232 0.750 1.000 0.800 CB 1.220 6 residues pruned to eliminate duplicates Z: 18 25.792 1.862 0.815 0.895 1.000 0.824 CB 1.327 18 residues pruned to eliminate duplicates Z: 12 12.391 1.863 0.685 0.375 0.909 0.545 CB 1.495 10 residues pruned to eliminate duplicates Z: 9 11.744 1.689 0.536 0.872 1.000 0.875 CB 1.166 9 residues pruned to eliminate duplicates Z: 8 5.562 1.676 0.241 0.447 0.857 0.286 N 1.246 Z: 59 20.537 1.849 0.717 0.284 0.862 0.534 CB 1.257 52 residues pruned to eliminate duplicates Z: 19 19.776 1.842 0.784 0.879 1.000 0.833 CB 1.029 19 residues pruned to eliminate duplicates Z: 12 12.339 1.757 0.653 0.686 0.818 0.727 N 1.320 12 residues pruned to eliminate duplicates Z: 18 19.082 1.853 0.834 0.461 0.941 0.588 CB 1.506 18 residues pruned to eliminate duplicates Z: 28 13.022 1.752 0.546 0.367 0.852 0.667 CB 1.253 20 residues pruned to eliminate duplicates Z: 14 5.512 1.610 0.194 0.552 0.923 0.538 CB 0.819 Z: 11 13.321 1.491 0.856 0.838 1.000 0.700 CB 1.138 11 residues pruned to eliminate duplicates Z: 7 3.999 1.614 0.269 0.603 0.833 0.833 CB 0.868 6 residues pruned to eliminate duplicates Z: 13 16.009 1.778 0.534 0.920 0.917 0.833 CB 1.302 13 residues pruned to eliminate duplicates Z: 9 7.947 1.734 0.280 0.609 1.000 0.500 N 1.142 Z: 17 17.963 1.795 0.703 0.898 0.938 0.625 CB 1.121 17 residues pruned to eliminate duplicates Z: 13 8.332 1.581 0.806 0.588 0.750 0.583 CB 1.033 13 residues pruned to eliminate duplicates Z: 7 2.445 1.539 -0.141 0.305 0.833 0.500 CB 1.125 7 residues pruned to eliminate duplicates 6 1.301 1.537 0.573 0.279 0.600 0.400 CB 0.515 ? Z: 15 21.325 1.931 0.674 0.853 1.000 0.500 CB 1.303 15 residues pruned to eliminate duplicates Z: 31 19.342 1.678 0.785 0.649 1.000 0.667 CB 1.026 35 residues pruned to eliminate duplicates Z: 10 6.646 1.586 0.641 0.396 0.778 0.444 CB 1.222 10 residues pruned to eliminate duplicates Z: 18 15.460 1.760 0.676 0.826 0.824 0.647 CB 1.164 20 residues pruned to eliminate duplicates Z: 8 5.626 1.626 0.031 0.415 1.000 0.429 CB 1.385 Z: 15 22.958 1.733 0.825 0.941 1.000 0.786 CB 1.347 15 residues pruned to eliminate duplicates Z: 15 13.638 1.802 0.271 0.901 1.000 0.857 CB 1.136 15 residues pruned to eliminate duplicates Z: 17 11.584 1.745 0.796 0.381 0.938 0.438 CB 1.118 17 residues pruned to eliminate duplicates Z: 9 13.812 1.676 0.614 0.845 1.000 0.875 CB 1.342 10 residues pruned to eliminate duplicates Z: 46 23.060 1.829 0.521 0.608 0.933 0.689 CB 1.195 45 residues pruned to eliminate duplicates Z: 12 13.009 1.732 0.458 0.561 1.000 0.545 O 1.464 13 residues pruned to eliminate duplicates Z: 15 23.163 1.721 1.101 0.936 1.000 0.643 CB 1.193 15 residues pruned to eliminate duplicates Z: 31 17.908 1.803 0.698 0.511 0.900 0.633 CB 1.173 31 residues pruned to eliminate duplicates Z: 15 23.580 1.956 0.704 0.898 1.000 0.857 CB 1.353 15 residues pruned to eliminate duplicates Z: 17 15.429 1.811 0.599 0.854 0.938 0.750 CB 1.049 17 residues pruned to eliminate duplicates Z: 11 9.720 1.655 0.486 0.769 1.000 1.000 CB 0.984 10 residues pruned to eliminate duplicates Z: 32 19.609 1.650 0.755 0.635 0.935 0.581 CB 1.145 32 residues pruned to eliminate duplicates Z: 17 17.984 1.831 0.871 0.880 0.938 0.625 CB 1.014 17 residues pruned to eliminate duplicates Z: 18 19.066 1.789 0.572 0.850 1.000 0.412 CB 1.218 18 residues pruned to eliminate duplicates Z: 19 9.142 1.620 0.537 0.519 0.778 0.500 CB 1.092 19 residues pruned to eliminate duplicates Z: 20 17.298 1.785 0.769 0.628 1.000 0.579 CB 1.114 20 residues pruned to eliminate duplicates Z: 8 11.747 1.705 0.409 0.858 1.000 0.857 CA 1.361 8 residues pruned to eliminate duplicates Z: 15 9.202 1.549 0.572 0.834 0.929 0.857 CB 0.816 15 residues pruned to eliminate duplicates Z: 21 10.242 1.734 0.395 0.379 0.850 0.350 CB 1.267 21 residues pruned to eliminate duplicates Z: 8 10.752 1.614 0.468 0.869 1.000 0.857 CA 1.252 8 residues pruned to eliminate duplicates Z: 12 11.847 1.636 0.530 0.714 0.909 0.727 CB 1.293 Z: 8 2.213 1.522 0.276 0.245 0.857 0.571 CB 0.674 Z: 9 10.108 1.909 0.715 0.296 0.875 0.375 CB 1.568 9 residues pruned to eliminate duplicates Z: 12 10.421 1.769 0.566 0.418 0.909 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 43 15.603 1.718 0.661 0.334 0.810 0.476 CB 1.249 43 residues pruned to eliminate duplicates Z: 13 7.301 1.614 0.407 0.465 0.750 0.417 CA 1.282 9 residues pruned to eliminate duplicates Z: 9 15.034 1.616 0.681 0.867 1.000 0.875 CB 1.432 9 residues pruned to eliminate duplicates Z: 7 6.589 1.278 0.749 0.813 1.000 1.000 CB 0.917 Z: 18 17.576 1.784 0.540 0.889 0.941 0.824 CB 1.187 18 residues pruned to eliminate duplicates Z: 13 13.734 1.796 0.586 0.598 0.833 0.750 CB 1.522 13 residues pruned to eliminate duplicates Z: 8 10.447 1.550 0.493 0.882 1.000 0.714 O 1.234 Z: 14 18.320 1.777 0.654 0.888 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 14 22.328 1.918 0.709 0.856 1.000 0.615 CB 1.393 14 residues pruned to eliminate duplicates Z: 7 12.925 1.795 0.776 0.695 1.000 0.833 CA 1.385 12 residues pruned to eliminate duplicates Z: 7 2.853 1.473 0.130 0.410 0.833 0.667 CB 0.923 Z: 9 4.566 1.587 0.600 0.354 0.625 0.250 CB 1.191 9 residues pruned to eliminate duplicates Z: 41 31.892 1.877 0.936 0.628 0.950 0.650 CB 1.295 41 residues pruned to eliminate duplicates Z: 15 21.111 1.787 0.720 0.914 1.000 0.857 CB 1.298 14 residues pruned to eliminate duplicates Z: 9 6.743 1.528 0.387 0.498 1.000 0.500 CB 1.127 Z: 18 9.589 1.710 0.524 0.468 0.765 0.529 CB 1.205 18 residues pruned to eliminate duplicates Z: 22 11.521 1.592 1.024 0.431 0.714 0.619 CB 1.172 Z: 37 20.169 1.869 0.753 0.370 0.889 0.528 CB 1.327 37 residues pruned to eliminate duplicates Z: 7 5.554 1.659 0.460 0.780 1.000 0.833 CB 0.731 Z: 27 14.497 1.779 0.453 0.716 0.885 0.654 CB 1.023 29 residues pruned to eliminate duplicates Z: 6 5.138 1.588 0.933 0.772 1.000 0.600 CA 0.588 6 residues pruned to eliminate duplicates Z: 6 3.370 1.530 0.129 0.485 0.800 0.200 O 1.107 6 residues pruned to eliminate duplicates Z: 26 10.101 1.625 0.421 0.399 0.880 0.440 CB 1.106 11 residues pruned to eliminate duplicates Z: 15 17.738 1.707 0.361 0.943 1.000 0.929 CA 1.414 15 residues pruned to eliminate duplicates Z: 14 17.442 1.876 0.879 0.780 0.846 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 14 17.165 1.700 0.721 0.914 1.000 1.000 CB 1.151 14 residues pruned to eliminate duplicates Z: 12 9.534 1.702 0.660 0.563 0.909 0.636 CB 1.053 5 residues pruned to eliminate duplicates Z: 15 9.793 1.631 0.575 0.391 0.857 0.500 N 1.335 15 residues pruned to eliminate duplicates Z: 20 14.178 1.781 0.614 0.428 0.947 0.579 CB 1.287 20 residues pruned to eliminate duplicates Z: 7 4.470 1.620 0.387 0.409 0.833 0.667 CB 1.072 8 residues pruned to eliminate duplicates Z: 10 8.995 1.712 0.884 0.704 1.000 0.778 CB 0.772 Z: 7 4.483 1.734 0.114 0.565 0.667 0.667 CB 1.334 7 residues pruned to eliminate duplicates Z: 10 5.518 1.742 0.440 0.374 0.889 0.222 CB 0.944 10 residues pruned to eliminate duplicates Z: 8 4.823 1.531 0.678 0.276 0.714 0.571 CB 1.281 8 residues pruned to eliminate duplicates Z: 10 4.917 1.685 -0.064 0.563 0.889 0.556 CB 1.099 Z: 20 24.456 1.883 0.608 0.900 1.000 0.947 CA 1.324 20 residues pruned to eliminate duplicates Z: 9 7.966 1.835 0.338 0.777 1.000 0.750 CB 0.898 Z: 15 15.033 1.864 0.909 0.379 0.929 0.571 CB 1.382 15 residues pruned to eliminate duplicates Z: 6 5.244 1.489 1.077 0.362 0.800 0.400 CA 1.100 6 residues pruned to eliminate duplicates Z: 12 14.629 1.722 0.556 0.644 1.000 0.545 O 1.440 Z: 20 20.507 1.827 0.500 0.857 0.947 0.789 CB 1.336 20 residues pruned to eliminate duplicates Z: 12 5.742 1.706 0.336 0.220 0.818 0.545 CB 1.290 5 residues pruned to eliminate duplicates Z: 16 17.077 1.679 0.501 0.942 1.000 0.800 CB 1.213 16 residues pruned to eliminate duplicates Z: 16 8.880 1.585 0.530 0.413 0.867 0.600 CB 1.195 14 residues pruned to eliminate duplicates Z: 17 23.360 1.853 0.745 0.941 1.000 1.000 CB 1.253 17 residues pruned to eliminate duplicates Z: 18 20.861 1.780 0.889 0.808 0.882 0.353 CB 1.304 18 residues pruned to eliminate duplicates Z: 13 16.553 1.669 0.930 0.831 0.917 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 12 12.674 1.895 0.537 0.838 1.000 0.636 CB 0.980 12 residues pruned to eliminate duplicates Z: 15 14.832 1.712 0.631 0.824 0.929 0.643 CB 1.155 15 residues pruned to eliminate duplicates Z: 9 9.967 1.696 0.461 0.842 0.875 0.750 CB 1.211 9 residues pruned to eliminate duplicates Z: 24 12.442 1.688 0.589 0.459 0.870 0.522 CB 1.160 24 residues pruned to eliminate duplicates Z: 7 11.228 1.717 1.048 0.486 1.000 0.667 N 1.322 7 residues pruned to eliminate duplicates Z: 8 4.963 1.671 0.563 0.402 0.714 0.714 CB 1.115 Z: 8 5.189 1.391 0.621 0.631 0.857 0.286 N 0.897 Z: 30 10.401 1.778 0.519 0.375 0.828 0.586 CB 0.988 30 residues pruned to eliminate duplicates Z: 6 5.953 1.719 0.267 0.519 1.000 0.600 N 1.199 Z: 14 21.245 1.764 1.018 0.920 0.923 0.538 CB 1.263 15 residues pruned to eliminate duplicates Z: 18 16.594 1.816 0.546 0.641 0.941 0.824 CB 1.335 19 residues pruned to eliminate duplicates Z: 7 5.116 1.545 0.848 0.439 0.833 0.500 CB 0.935 Z: 17 16.177 1.821 0.441 0.876 1.000 0.938 CB 1.120 17 residues pruned to eliminate duplicates Z: 9 2.645 1.534 0.545 0.288 0.500 0.500 CB 1.001 Z: 10 9.937 1.423 0.764 0.727 1.000 0.667 CB 1.075 Z: 6 2.067 1.339 0.660 0.297 0.600 0.600 N 0.869 Z: 16 12.204 1.639 0.568 0.481 1.000 0.400 CB 1.249 Z: 6 6.359 1.775 0.116 0.862 1.000 0.800 CB 1.054 6 residues pruned to eliminate duplicates Z: 10 9.168 1.612 0.542 0.844 0.889 0.778 CB 1.029 10 residues pruned to eliminate duplicates Z: 19 18.604 1.765 0.658 0.848 0.944 0.833 CB 1.177 19 residues pruned to eliminate duplicates Z: 9 3.910 1.753 0.259 0.417 0.750 0.750 CB 0.911 Z: 6 7.053 1.659 0.774 0.667 0.800 0.600 CB 1.148 6 residues pruned to eliminate duplicates Z: 10 13.593 1.804 0.891 0.594 0.889 0.556 CB 1.365 9 residues pruned to eliminate duplicates Z: 50 22.104 1.827 0.549 0.524 0.898 0.612 CB 1.214 50 residues pruned to eliminate duplicates Z: 15 8.639 1.696 0.438 0.480 0.857 0.357 CB 1.127 15 residues pruned to eliminate duplicates Z: 15 9.852 1.712 0.786 0.374 0.857 0.571 CB 1.149 15 residues pruned to eliminate duplicates Z: 12 11.012 1.673 0.804 0.467 0.909 0.364 N 1.252 12 residues pruned to eliminate duplicates Z: 49 21.194 1.868 0.735 0.331 0.917 0.521 CB 1.239 49 residues pruned to eliminate duplicates Z: 9 5.908 1.581 0.113 0.465 1.000 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 11 8.848 1.666 0.922 0.896 0.900 0.600 CB 0.695 11 residues pruned to eliminate duplicates Z: 23 9.499 1.848 0.211 0.366 0.909 0.591 CB 1.150 23 residues pruned to eliminate duplicates Z: 11 11.523 1.613 1.039 0.564 0.800 0.600 O 1.302 Z: 25 9.585 1.642 0.535 0.463 0.750 0.667 CB 1.075 25 residues pruned to eliminate duplicates Z: 10 16.662 1.781 0.969 0.896 0.889 0.667 CB 1.276 10 residues pruned to eliminate duplicates Z: 6 2.878 1.682 0.022 0.324 0.800 0.200 CA 1.135 Z: 10 15.464 1.833 1.037 0.704 0.889 0.778 CB 1.290 10 residues pruned to eliminate duplicates Z: 12 8.811 1.681 0.433 0.646 0.818 0.545 CB 1.176 12 residues pruned to eliminate duplicates Z: 9 3.042 1.328 0.551 0.206 0.750 0.500 CA 0.986 Z: 11 11.402 1.533 0.754 0.889 0.900 0.500 CB 1.072 10 residues pruned to eliminate duplicates Z: 9 4.668 1.652 0.544 0.316 0.875 0.500 CB 0.907 9 residues pruned to eliminate duplicates Z: 12 6.453 1.604 0.828 0.594 0.909 0.636 CB 0.667 12 residues pruned to eliminate duplicates Z: 10 7.477 1.669 0.527 0.603 0.778 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 9 7.370 1.558 0.476 0.522 0.875 0.625 CA 1.267 Z: 10 12.316 1.557 0.615 0.801 1.000 0.778 CA 1.255 10 residues pruned to eliminate duplicates Z: 9 13.705 1.639 0.621 0.871 1.000 1.000 CB 1.330 8 residues pruned to eliminate duplicates Z: 26 15.443 1.759 0.603 0.623 0.840 0.680 CB 1.162 26 residues pruned to eliminate duplicates Z: 13 17.626 1.896 0.868 0.627 0.917 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 7 12.698 1.720 0.469 0.868 1.000 1.000 CB 1.499 7 residues pruned to eliminate duplicates Z: 11 8.192 1.545 0.532 0.870 1.000 0.400 CB 0.800 11 residues pruned to eliminate duplicates Z: 6 2.494 1.493 0.401 0.485 0.600 0.400 CB 0.902 Z: 17 13.174 1.588 0.532 0.571 1.000 0.562 N 1.263 21 residues pruned to eliminate duplicates Z: 15 17.356 1.709 0.454 0.896 1.000 0.786 CB 1.337 15 residues pruned to eliminate duplicates Z: 14 13.601 1.732 0.504 0.908 1.000 0.846 CB 1.028 14 residues pruned to eliminate duplicates Z: 10 7.993 1.371 0.255 0.851 1.000 0.556 N 1.147 10 residues pruned to eliminate duplicates Z: 14 17.956 1.792 1.121 0.624 0.846 0.846 CB 1.378 14 residues pruned to eliminate duplicates Z: 12 14.001 1.877 0.351 0.886 1.000 0.727 CB 1.201 12 residues pruned to eliminate duplicates Z: 17 18.423 1.791 0.977 0.887 1.000 0.562 CB 0.938 17 residues pruned to eliminate duplicates Z: 14 17.185 1.727 0.880 0.890 0.923 0.385 CB 1.144 14 residues pruned to eliminate duplicates Z: 9 7.609 1.703 0.247 0.623 0.875 0.750 CB 1.290 9 residues pruned to eliminate duplicates Z: 12 7.576 1.699 0.497 0.539 0.818 0.636 CB 1.056 Z: 20 22.566 1.858 0.662 0.864 0.947 0.947 CA 1.297 20 residues pruned to eliminate duplicates Z: 13 4.842 1.598 0.512 0.277 0.750 0.417 CB 0.993 6 residues pruned to eliminate duplicates Z: 49 21.428 1.844 0.740 0.344 0.917 0.646 CB 1.245 49 residues pruned to eliminate duplicates Z: 9 3.878 1.635 -0.089 0.614 1.000 0.375 CB 0.826 Z: 15 9.926 1.688 0.410 0.453 0.929 0.500 CB 1.259 Z: 18 11.873 1.732 0.938 0.319 0.765 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 15 20.972 1.745 0.896 0.946 1.000 0.714 CB 1.171 16 residues pruned to eliminate duplicates Z: 7 5.654 1.445 0.816 0.484 0.833 0.500 O 1.072 7 residues pruned to eliminate duplicates Z: 8 7.651 1.494 0.478 0.878 0.857 0.857 N 1.109 8 residues pruned to eliminate duplicates Z: 19 20.453 1.717 0.880 0.722 1.000 0.667 CB 1.222 19 residues pruned to eliminate duplicates Z: 20 18.948 1.874 1.007 0.384 0.842 0.632 CA 1.554 20 residues pruned to eliminate duplicates Z: 47 29.540 1.827 0.658 0.586 1.000 0.630 CB 1.324 47 residues pruned to eliminate duplicates Z: 6 2.676 1.288 0.309 0.452 0.800 0.400 O 0.932 Z: 24 11.834 1.656 0.375 0.577 0.870 0.652 CB 1.157 20 residues pruned to eliminate duplicates Z: 26 14.931 1.707 0.718 0.531 0.880 0.760 CB 1.122 37 residues pruned to eliminate duplicates Z: 7 11.068 1.774 0.691 0.707 1.000 0.667 CA 1.247 7 residues pruned to eliminate duplicates Z: 17 19.467 1.845 0.659 0.830 0.938 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 22 16.247 1.743 0.941 0.652 0.857 0.381 CB 1.062 17 residues pruned to eliminate duplicates Z: 11 5.126 1.610 0.490 0.421 0.700 0.600 CB 1.049 11 residues pruned to eliminate duplicates Z: 8 7.710 1.559 0.720 0.827 1.000 0.714 CB 0.819 8 residues pruned to eliminate duplicates Z: 61 29.417 1.851 0.647 0.576 0.917 0.583 CB 1.263 70 residues pruned to eliminate duplicates Z: 8 4.472 1.678 0.431 0.390 0.714 0.286 CB 1.107 8 residues pruned to eliminate duplicates Z: 15 15.645 1.664 0.768 0.920 1.000 0.786 CB 1.001 15 residues pruned to eliminate duplicates Z: 8 4.175 1.591 0.337 0.440 0.714 0.714 CB 1.105 Z: 25 21.268 1.822 0.625 0.721 0.958 0.750 CB 1.253 24 residues pruned to eliminate duplicates Z: 6 3.669 1.522 0.142 0.467 1.000 1.000 N 0.976 Z: 8 8.971 1.702 0.503 0.562 1.000 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 26 17.822 1.789 0.730 0.564 0.960 0.640 CB 1.127 26 residues pruned to eliminate duplicates Z: 19 21.340 1.842 0.666 0.874 0.944 0.833 CB 1.263 19 residues pruned to eliminate duplicates Z: 12 8.935 1.713 0.546 0.511 0.909 0.545 CB 1.107 13 residues pruned to eliminate duplicates Z: 15 14.923 1.815 0.911 0.885 0.786 0.643 CB 1.056 15 residues pruned to eliminate duplicates Z: 10 7.501 1.681 0.865 0.530 0.778 0.556 CB 0.995 Z: 26 17.290 1.891 0.772 0.332 0.880 0.520 CB 1.410 26 residues pruned to eliminate duplicates Z: 13 17.669 1.805 0.580 0.910 1.000 0.833 CB 1.269 12 residues pruned to eliminate duplicates Z: 16 12.911 1.552 0.645 0.892 1.000 0.733 CB 0.938 16 residues pruned to eliminate duplicates Z: 6 4.490 1.382 0.679 0.768 0.800 0.800 CB 0.853 Z: 18 13.702 1.705 0.849 0.558 0.941 0.765 CB 1.058 18 residues pruned to eliminate duplicates Z: 10 5.046 1.545 0.631 0.472 0.889 0.333 CB 0.773 10 residues pruned to eliminate duplicates Z: 6 2.367 1.555 0.346 0.447 0.600 0.400 CB 0.890 Z: 7 3.611 1.619 -0.057 0.386 0.833 0.833 CB 1.307 7 residues pruned to eliminate duplicates Z: 14 14.782 1.674 0.838 0.701 0.923 0.846 CB 1.202 16 residues pruned to eliminate duplicates Z: 17 16.903 1.833 0.753 0.866 0.938 0.625 CB 1.026 17 residues pruned to eliminate duplicates 6 1.402 1.462 0.213 0.100 0.600 0.400 CA 0.982 ? Z: 15 17.995 1.705 0.414 0.931 1.000 1.000 CA 1.394 15 residues pruned to eliminate duplicates Z: 6 4.292 1.529 0.378 0.541 0.800 0.600 N 1.093 Z: 7 3.705 1.440 0.378 0.414 0.833 0.667 CB 1.000 7 residues pruned to eliminate duplicates Z: 10 15.421 1.688 0.737 0.892 1.000 0.889 CA 1.259 Z: 13 7.235 1.707 0.515 0.329 0.833 0.500 CB 1.170 13 residues pruned to eliminate duplicates Z: 17 16.615 1.843 0.601 0.849 1.000 0.812 CB 1.044 17 residues pruned to eliminate duplicates Z: 7 4.683 1.418 0.478 0.499 1.000 0.500 CB 0.914 7 residues pruned to eliminate duplicates Z: 25 17.809 1.777 0.605 0.758 0.958 0.542 CB 1.058 25 residues pruned to eliminate duplicates Z: 8 9.730 1.556 0.673 0.876 0.857 0.571 CB 1.197 8 residues pruned to eliminate duplicates Z: 9 3.627 1.613 0.084 0.660 1.000 0.500 CB 0.632 Z: 9 3.485 1.457 0.631 0.289 0.750 0.500 CB 0.876 9 residues pruned to eliminate duplicates Z: 9 13.453 1.640 0.781 0.857 1.000 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 10 4.881 1.583 0.527 0.527 0.667 0.333 N 0.983 10 residues pruned to eliminate duplicates Z: 19 20.950 1.877 0.670 0.717 0.889 0.778 CB 1.456 37 residues pruned to eliminate duplicates Z: 9 7.777 1.545 0.422 0.540 1.000 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 16 5.839 1.502 0.327 0.308 0.933 0.600 CB 1.003 13 residues pruned to eliminate duplicates Z: 8 2.866 1.617 0.372 0.366 0.857 0.429 CB 0.658 Z: 13 4.526 1.579 0.315 0.369 0.667 0.500 CB 1.087 10 residues pruned to eliminate duplicates Z: 12 4.252 1.615 -0.043 0.517 0.909 0.636 CB 0.897 10 residues pruned to eliminate duplicates Z: 8 3.482 1.418 0.422 0.265 0.857 0.571 CB 0.995 Z: 7 5.791 1.492 0.637 0.565 0.833 0.500 CA 1.090 Z: 15 9.770 1.645 0.281 0.628 0.929 0.643 CB 1.182 14 residues pruned to eliminate duplicates Z: 8 6.398 1.705 0.693 0.587 0.857 0.714 N 0.899 10 residues pruned to eliminate duplicates Z: 11 7.368 1.640 0.029 0.639 1.000 0.600 CB 1.211 5 residues pruned to eliminate duplicates Z: 13 18.159 1.845 0.806 0.698 0.833 0.750 CB 1.575 13 residues pruned to eliminate duplicates 6 1.939 1.401 0.061 0.450 0.800 0.600 N 0.768 ? Z: 9 8.096 1.271 0.665 0.826 0.875 0.500 CA 1.166 9 residues pruned to eliminate duplicates Z: 21 14.833 1.819 0.578 0.470 0.950 0.800 CA 1.254 21 residues pruned to eliminate duplicates Z: 18 19.886 1.758 0.793 0.902 1.000 0.941 CB 1.092 18 residues pruned to eliminate duplicates Z: 25 18.916 1.761 0.510 0.723 0.958 0.833 CB 1.239 25 residues pruned to eliminate duplicates Z: 11 13.657 1.689 0.776 0.654 1.000 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 13 9.085 1.543 0.338 0.873 0.917 0.750 CB 1.009 13 residues pruned to eliminate duplicates Z: 6 4.979 1.447 0.738 0.866 1.000 0.800 O 0.648 6 residues pruned to eliminate duplicates Z: 16 6.073 1.592 0.291 0.249 0.867 0.400 CB 1.175 16 residues pruned to eliminate duplicates Z: 10 6.126 1.670 0.458 0.424 0.889 0.556 CB 1.021 Z: 20 10.514 1.707 0.629 0.337 0.895 0.474 CB 1.158 22 residues pruned to eliminate duplicates Z: 6 5.199 1.640 0.325 0.529 1.000 0.600 CB 1.040 Z: 9 9.973 1.504 0.907 0.775 0.875 0.625 CB 1.101 9 residues pruned to eliminate duplicates Z: 7 3.152 1.490 -0.054 0.610 0.833 0.333 CB 0.987 7 residues pruned to eliminate duplicates Z: 14 13.384 1.607 0.523 0.892 1.000 0.692 CB 1.090 14 residues pruned to eliminate duplicates Z: 16 16.665 1.879 0.577 0.819 0.933 0.533 CB 1.179 16 residues pruned to eliminate duplicates Z: 6 2.024 1.423 0.328 0.296 0.600 0.400 N 1.003 Z: 6 3.011 1.443 0.392 0.357 0.800 0.400 CB 0.978 Z: 10 6.451 1.681 0.046 0.726 1.000 0.556 CB 0.997 Z: 8 6.785 1.773 0.148 0.678 1.000 0.571 CB 1.070 7 residues pruned to eliminate duplicates Z: 7 2.481 1.396 0.513 0.316 0.667 0.500 N 0.882 Z: 7 8.038 1.681 0.508 0.705 1.000 0.667 CB 1.075 Z: 9 7.556 1.597 0.755 0.281 1.000 0.500 N 1.220 9 residues pruned to eliminate duplicates Z: 32 26.819 1.867 0.738 0.690 0.935 0.742 CB 1.333 32 residues pruned to eliminate duplicates Z: 6 10.062 1.413 1.168 0.815 1.000 0.800 CA 1.117 Z: 34 15.980 1.930 0.585 0.409 0.788 0.485 CB 1.270 34 residues pruned to eliminate duplicates Z: 39 22.827 1.925 0.808 0.375 0.895 0.632 CB 1.359 39 residues pruned to eliminate duplicates Z: 9 13.377 1.772 0.768 0.835 0.875 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 10 6.042 1.627 0.196 0.540 0.778 0.667 CA 1.281 10 residues pruned to eliminate duplicates Z: 9 3.019 1.469 0.145 0.274 0.875 0.500 CB 0.937 Z: 20 26.123 1.857 1.021 0.886 0.947 0.526 CB 1.216 20 residues pruned to eliminate duplicates Z: 43 14.657 1.669 0.579 0.387 0.833 0.500 CB 1.161 41 residues pruned to eliminate duplicates Z: 7 3.850 1.716 0.268 0.234 1.000 0.333 CB 0.984 7 residues pruned to eliminate duplicates Z: 9 11.532 1.789 0.503 0.745 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 7 5.677 1.555 0.760 0.563 0.833 0.833 CB 0.956 Z: 22 16.884 1.790 0.660 0.489 1.000 0.619 CB 1.254 22 residues pruned to eliminate duplicates Z: 18 22.705 1.844 1.045 0.934 0.941 0.412 CB 1.081 18 residues pruned to eliminate duplicates Z: 17 10.682 1.839 0.664 0.283 0.938 0.375 CB 1.189 17 residues pruned to eliminate duplicates Z: 18 15.991 1.768 0.398 0.915 0.882 0.765 CB 1.258 18 residues pruned to eliminate duplicates Z: 11 4.210 1.561 0.480 0.265 0.800 0.500 CB 0.941 11 residues pruned to eliminate duplicates 7 1.755 1.505 0.070 0.285 0.833 0.500 CB 0.680 ? Z: 11 8.758 1.684 0.755 0.506 0.900 0.500 CB 1.035 11 residues pruned to eliminate duplicates Z: 27 18.833 1.782 0.573 0.632 0.923 0.577 CB 1.261 27 residues pruned to eliminate duplicates Z: 21 13.914 1.704 0.732 0.512 1.000 0.650 CB 1.042 21 residues pruned to eliminate duplicates Z: 8 4.589 1.311 0.587 0.569 0.714 0.429 CA 1.092 Z: 7 6.991 1.479 0.374 0.815 0.833 0.833 O 1.282 7 residues pruned to eliminate duplicates Z: 14 5.866 1.813 0.059 0.435 0.769 0.462 CB 1.178 14 residues pruned to eliminate duplicates Z: 12 13.326 1.680 0.710 0.633 0.909 0.727 N 1.358 12 residues pruned to eliminate duplicates Z: 7 3.636 1.423 0.492 0.415 0.833 0.500 CB 0.917 Z: 7 12.665 1.687 0.749 0.825 1.000 0.500 CB 1.323 7 residues pruned to eliminate duplicates Z: 34 24.568 1.800 0.827 0.645 0.970 0.636 CB 1.171 34 residues pruned to eliminate duplicates Z: 26 7.562 1.574 0.503 0.416 0.760 0.520 CB 0.918 26 residues pruned to eliminate duplicates Z: 6 2.721 1.291 0.811 0.305 0.600 0.400 O 1.078 6 residues pruned to eliminate duplicates Z: 14 4.120 1.543 0.594 0.299 0.615 0.538 CB 0.944 6 residues pruned to eliminate duplicates Z: 17 17.771 1.858 0.731 0.873 1.000 0.812 CB 1.006 17 residues pruned to eliminate duplicates Z: 12 8.087 1.540 0.840 0.373 0.909 0.636 CB 1.085 Z: 20 24.389 1.815 0.838 0.694 1.000 0.737 CB 1.405 21 residues pruned to eliminate duplicates Z: 7 4.090 1.431 0.213 0.494 0.833 0.833 O 1.161 Z: 19 9.131 1.743 0.188 0.387 0.944 0.389 CB 1.240 19 residues pruned to eliminate duplicates Z: 6 4.177 1.521 0.210 0.455 1.000 0.600 N 1.063 Z: 10 5.420 1.593 0.212 0.616 0.889 0.556 N 0.944 Z: 17 14.295 1.790 0.627 0.843 1.000 0.875 CB 0.914 17 residues pruned to eliminate duplicates Z: 6 3.096 1.380 1.006 0.408 0.600 0.400 CA 0.918 6 residues pruned to eliminate duplicates Z: 12 6.072 1.566 0.631 0.390 0.818 0.364 CB 0.984 12 residues pruned to eliminate duplicates Z: 11 11.350 1.706 0.406 0.810 1.000 0.800 CB 1.142 11 residues pruned to eliminate duplicates Z: 6 4.823 1.570 0.175 0.372 1.000 0.600 O 1.341 6 residues pruned to eliminate duplicates Z: 13 6.259 1.686 0.052 0.757 1.000 0.750 CB 0.811 Z: 6 5.958 1.485 0.884 0.658 1.000 0.800 N 0.822 6 residues pruned to eliminate duplicates Z: 7 2.709 1.491 -0.036 0.408 1.000 1.000 CB 0.848 Z: 20 27.393 1.786 0.936 0.878 1.000 0.842 CB 1.320 20 residues pruned to eliminate duplicates Z: 6 2.487 1.321 0.334 0.366 0.800 0.400 N 0.911 Z: 13 18.775 1.825 0.983 0.904 0.917 0.750 CB 1.163 16 residues pruned to eliminate duplicates Z: 13 4.778 1.635 0.386 0.543 0.583 0.417 CB 1.000 13 residues pruned to eliminate duplicates Z: 19 8.200 1.666 0.325 0.521 0.889 0.444 CB 0.964 32 residues pruned to eliminate duplicates Z: 9 11.516 1.528 0.795 0.819 1.000 0.875 CB 1.125 9 residues pruned to eliminate duplicates 7 1.953 1.498 -0.092 0.340 0.667 0.500 CB 1.046 ? Z: 8 3.953 1.405 0.040 0.593 0.857 0.571 CB 1.092 Z: 11 9.917 1.554 0.538 0.613 0.900 0.900 CB 1.310 11 residues pruned to eliminate duplicates Z: 15 10.854 1.613 0.708 0.879 1.000 0.857 CB 0.763 15 residues pruned to eliminate duplicates Z: 7 3.285 1.325 0.213 0.519 0.833 0.500 CB 0.983 Z: 21 13.143 1.716 0.551 0.472 0.900 0.750 CB 1.263 21 residues pruned to eliminate duplicates Z: 23 13.499 1.594 0.537 0.524 0.864 0.591 CB 1.329 Z: 19 9.644 1.694 0.390 0.363 0.889 0.556 CB 1.258 19 residues pruned to eliminate duplicates Z: 15 13.109 1.601 0.637 0.879 1.000 0.571 CB 0.970 15 residues pruned to eliminate duplicates Z: 41 27.274 1.867 0.648 0.659 0.975 0.575 CB 1.240 41 residues pruned to eliminate duplicates Z: 7 3.105 1.548 -0.283 0.501 1.000 0.333 CA 1.140 7 residues pruned to eliminate duplicates Z: 16 14.948 1.553 0.934 0.901 1.000 0.600 CB 0.917 16 residues pruned to eliminate duplicates Z: 10 9.689 1.630 0.661 0.667 0.889 0.333 CB 1.150 8 residues pruned to eliminate duplicates Z: 15 7.492 1.561 0.533 0.418 0.929 0.571 CB 0.982 15 residues pruned to eliminate duplicates Z: 20 23.880 1.795 0.690 0.856 1.000 0.737 CA 1.332 20 residues pruned to eliminate duplicates Z: 25 23.682 1.885 0.876 0.577 0.875 0.625 CB 1.451 25 residues pruned to eliminate duplicates Z: 15 10.244 1.739 0.572 0.561 0.786 0.500 CB 1.200 15 residues pruned to eliminate duplicates Z: 28 16.786 1.818 0.659 0.427 0.852 0.481 CB 1.356 28 residues pruned to eliminate duplicates Z: 43 18.648 1.690 0.494 0.540 0.976 0.571 CB 1.123 43 residues pruned to eliminate duplicates Z: 16 18.682 1.665 0.998 0.891 1.000 0.533 CB 1.042 16 residues pruned to eliminate duplicates Z: 8 4.939 1.549 0.278 0.618 0.857 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 10 5.277 1.403 0.995 0.752 0.667 0.556 CB 0.753 10 residues pruned to eliminate duplicates Z: 20 18.765 1.751 1.007 0.851 0.947 0.684 CB 0.957 20 residues pruned to eliminate duplicates Z: 16 13.410 1.697 0.570 0.813 0.867 0.733 CB 1.142 16 residues pruned to eliminate duplicates Z: 6 4.226 1.616 0.442 0.510 0.800 0.600 CA 1.004 5 residues pruned to eliminate duplicates Z: 11 13.463 1.437 1.021 0.867 1.000 0.900 CB 1.073 11 residues pruned to eliminate duplicates 768 residues left after pruning, divided into chains as follows: A: 40 B: 10 C: 6 D: 10 E: 54 F: 85 G: 10 H: 10 I: 13 J: 34 K: 87 L: 6 M: 47 N: 10 O: 6 P: 14 Q: 55 R: 83 S: 18 T: 6 U: 23 V: 11 W: 130 CC for partial structure against native data = 40.23 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.478, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.552, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.659, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.672, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.682, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.686, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.690, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.691, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.693, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.693, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3132 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 781 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 10.179 2.163 0.380 0.332 0.818 0.636 CB 1.511 B: 15 21.500 1.938 0.653 0.882 0.929 0.786 CA 1.398 C: 10 18.958 2.120 0.636 0.588 1.000 0.778 CA 1.674 D: 16 22.140 2.019 0.919 0.931 1.000 0.867 CB 1.031 E: 42 28.595 1.868 0.632 0.573 0.976 0.756 CA 1.400 F: 11 14.251 1.943 0.598 0.601 0.900 0.500 CA 1.465 G: 18 20.958 1.840 0.362 0.884 1.000 0.824 CB 1.465 H: 6 7.657 1.799 0.972 0.755 0.800 0.800 CB 0.962 I: 10 14.240 1.734 0.723 0.775 0.889 0.667 CB 1.402 J: 23 18.269 1.905 0.582 0.456 0.909 0.545 CB 1.487 K: 32 28.927 1.935 0.808 0.737 1.000 0.742 CB 1.201 16 residues pruned to eliminate duplicates L: 14 18.234 1.807 0.731 0.918 0.923 0.769 CB 1.235 M: 52 28.063 1.964 0.499 0.534 0.922 0.686 CB 1.400 15 residues pruned to eliminate duplicates N: 53 33.027 1.979 0.603 0.550 0.962 0.615 CB 1.431 48 residues pruned to eliminate duplicates O: 15 14.334 1.790 0.640 0.587 0.857 0.714 N 1.400 15 residues pruned to eliminate duplicates P: 8 7.986 2.089 0.330 0.284 0.857 0.571 CA 1.617 Q: 57 26.847 1.917 0.527 0.554 0.911 0.696 CB 1.277 57 residues pruned to eliminate duplicates R: 14 25.873 1.950 0.846 0.906 1.000 0.692 CB 1.418 S: 13 19.263 1.926 0.652 0.647 1.000 0.667 CB 1.523 T: 22 30.378 1.862 0.874 0.868 1.000 0.714 CA 1.389 22 residues pruned to eliminate duplicates U: 10 9.353 1.924 0.663 0.343 0.889 0.444 CB 1.300 V: 15 17.294 1.924 0.464 0.896 0.929 0.786 CB 1.266 15 residues pruned to eliminate duplicates W: 16 17.051 1.953 0.533 0.809 0.867 0.733 CB 1.297 X: 14 19.271 1.882 0.648 0.929 1.000 0.846 CA 1.206 14 residues pruned to eliminate duplicates Y: 70 28.592 2.013 0.643 0.354 0.884 0.522 CB 1.379 23 residues pruned to eliminate duplicates Z: 16 20.714 1.988 0.489 0.906 1.000 0.867 CA 1.285 16 residues pruned to eliminate duplicates Z: 9 2.226 1.741 0.396 0.186 0.625 0.375 CB 0.755 Z: 11 15.345 1.672 0.673 0.851 1.000 0.600 N 1.284 Z: 14 23.980 2.061 0.887 0.936 1.000 0.769 CB 1.191 14 residues pruned to eliminate duplicates Z: 20 20.788 1.736 0.566 0.848 1.000 0.789 CB 1.301 11 residues pruned to eliminate duplicates Z: 51 27.520 2.085 0.653 0.378 0.860 0.580 CB 1.496 54 residues pruned to eliminate duplicates Z: 17 12.240 1.883 0.410 0.472 0.750 0.625 N 1.580 Z: 19 14.264 1.905 0.674 0.440 0.944 0.556 CB 1.188 15 residues pruned to eliminate duplicates Z: 33 24.129 1.911 0.663 0.491 0.938 0.469 CB 1.445 17 residues pruned to eliminate duplicates Z: 38 22.367 1.873 0.522 0.622 0.865 0.649 CB 1.329 9 residues pruned to eliminate duplicates Z: 13 12.532 1.693 0.721 0.511 0.917 0.583 CA 1.340 Z: 61 27.920 2.009 0.636 0.360 0.900 0.667 CB 1.416 61 residues pruned to eliminate duplicates Z: 14 15.395 1.963 0.620 0.652 0.923 0.846 CB 1.262 Z: 11 16.576 1.872 0.576 0.875 1.000 1.000 CB 1.292 12 residues pruned to eliminate duplicates Z: 14 18.103 1.824 0.761 0.916 0.923 0.692 CB 1.196 Z: 15 12.328 1.749 0.608 0.557 0.786 0.500 N 1.410 Z: 14 21.514 1.826 0.698 0.925 1.000 0.923 CB 1.350 14 residues pruned to eliminate duplicates Z: 24 20.808 1.868 0.658 0.640 0.957 0.696 CB 1.285 20 residues pruned to eliminate duplicates Z: 13 11.800 1.751 0.498 0.529 0.833 0.417 CA 1.515 Z: 12 17.772 1.719 0.916 0.784 1.000 0.818 CB 1.267 12 residues pruned to eliminate duplicates Z: 9 15.300 1.703 0.719 0.861 1.000 0.625 CB 1.358 9 residues pruned to eliminate duplicates Z: 8 13.284 2.116 0.874 0.411 1.000 0.857 CB 1.390 8 residues pruned to eliminate duplicates Z: 15 10.306 1.773 0.445 0.464 0.857 0.643 CB 1.301 7 residues pruned to eliminate duplicates Z: 16 19.880 2.021 0.856 0.921 0.933 0.733 CB 1.032 16 residues pruned to eliminate duplicates Z: 6 5.594 1.625 0.324 0.822 0.800 0.800 CA 1.100 Z: 20 19.000 1.958 0.246 0.867 1.000 0.895 CA 1.307 20 residues pruned to eliminate duplicates Z: 13 17.517 1.881 0.415 0.771 1.000 0.750 N 1.495 8 residues pruned to eliminate duplicates Z: 15 21.490 1.800 0.738 0.927 1.000 0.786 CB 1.287 14 residues pruned to eliminate duplicates Z: 45 31.433 1.998 0.548 0.585 0.955 0.773 CB 1.480 49 residues pruned to eliminate duplicates Z: 11 19.034 1.950 1.007 0.568 0.900 0.500 CB 1.600 11 residues pruned to eliminate duplicates Z: 34 14.844 1.912 0.619 0.322 0.848 0.636 CB 1.196 12 residues pruned to eliminate duplicates Z: 17 23.972 1.967 0.678 0.852 1.000 0.750 CB 1.343 15 residues pruned to eliminate duplicates Z: 47 13.738 1.771 0.447 0.396 0.870 0.522 CB 1.014 Z: 11 11.835 1.721 0.409 0.891 0.900 0.900 CA 1.232 11 residues pruned to eliminate duplicates Z: 17 9.998 1.834 0.482 0.466 0.812 0.562 CB 1.171 17 residues pruned to eliminate duplicates Z: 13 21.837 1.911 0.951 0.654 1.000 0.833 CB 1.465 13 residues pruned to eliminate duplicates Z: 12 10.776 1.797 0.504 0.486 0.818 0.636 CA 1.489 12 residues pruned to eliminate duplicates Z: 15 21.843 2.032 0.917 0.917 1.000 0.786 CB 1.058 15 residues pruned to eliminate duplicates Z: 11 21.649 1.833 1.171 0.837 1.000 0.700 CA 1.287 11 residues pruned to eliminate duplicates Z: 20 27.558 1.923 0.729 0.867 1.000 0.632 CB 1.391 20 residues pruned to eliminate duplicates Z: 38 27.010 1.984 0.607 0.591 0.946 0.703 CB 1.349 38 residues pruned to eliminate duplicates Z: 21 30.510 1.919 0.843 0.861 1.000 0.600 CA 1.417 21 residues pruned to eliminate duplicates Z: 49 30.557 1.965 0.576 0.570 0.938 0.729 CB 1.420 49 residues pruned to eliminate duplicates Z: 35 21.562 1.956 0.697 0.404 0.912 0.559 CB 1.352 35 residues pruned to eliminate duplicates Z: 10 13.443 1.818 0.762 0.552 0.889 0.444 CA 1.496 Z: 21 30.260 1.884 0.960 0.856 1.000 0.500 CB 1.351 21 residues pruned to eliminate duplicates Z: 17 23.978 1.914 0.504 0.953 1.000 0.875 CB 1.433 18 residues pruned to eliminate duplicates Z: 25 13.744 1.856 0.456 0.340 0.792 0.500 N 1.561 25 residues pruned to eliminate duplicates Z: 14 19.900 1.993 0.459 0.926 1.000 0.846 CB 1.331 14 residues pruned to eliminate duplicates Z: 11 12.494 1.956 0.276 0.585 1.000 0.700 CB 1.460 11 residues pruned to eliminate duplicates Z: 18 14.401 1.756 0.623 0.564 0.882 0.529 N 1.305 15 residues pruned to eliminate duplicates Z: 32 13.050 1.690 0.570 0.525 0.935 0.484 CB 0.922 Z: 17 24.187 1.992 0.656 0.879 0.938 0.750 CB 1.417 16 residues pruned to eliminate duplicates Z: 8 5.278 1.555 0.359 0.363 0.857 0.714 CB 1.275 Z: 20 30.945 1.996 0.742 0.885 1.000 0.684 CB 1.475 20 residues pruned to eliminate duplicates Z: 10 11.577 1.698 0.384 0.765 1.000 0.444 CA 1.298 10 residues pruned to eliminate duplicates Z: 61 25.548 1.984 0.677 0.366 0.867 0.550 CB 1.321 61 residues pruned to eliminate duplicates Z: 20 18.582 1.765 0.463 0.867 1.000 0.842 CA 1.207 27 residues pruned to eliminate duplicates Z: 14 21.471 1.915 0.738 0.891 0.923 0.615 CA 1.394 14 residues pruned to eliminate duplicates Z: 35 25.266 2.141 0.644 0.365 0.912 0.676 CB 1.560 35 residues pruned to eliminate duplicates Z: 77 28.777 1.965 0.671 0.385 0.868 0.605 CB 1.308 77 residues pruned to eliminate duplicates Z: 38 12.324 1.782 0.383 0.376 0.919 0.649 CB 1.021 38 residues pruned to eliminate duplicates Z: 20 27.119 1.976 0.652 0.887 1.000 0.684 CA 1.374 20 residues pruned to eliminate duplicates Z: 25 15.818 1.914 0.356 0.553 0.917 0.792 CB 1.290 25 residues pruned to eliminate duplicates Z: 20 27.589 2.004 0.608 0.910 1.000 0.895 CA 1.394 20 residues pruned to eliminate duplicates Z: 24 14.654 1.829 0.522 0.397 0.913 0.652 CB 1.339 24 residues pruned to eliminate duplicates Z: 28 21.680 2.142 0.636 0.337 0.963 0.667 CB 1.478 25 residues pruned to eliminate duplicates Z: 12 8.226 1.683 0.484 0.562 0.909 0.727 CB 1.029 Z: 13 19.687 2.004 0.491 0.908 1.000 0.917 CA 1.351 13 residues pruned to eliminate duplicates Z: 17 16.044 1.967 0.502 0.873 0.938 0.875 CB 1.054 17 residues pruned to eliminate duplicates Z: 15 23.918 1.794 0.957 0.943 0.929 0.571 CA 1.359 16 residues pruned to eliminate duplicates Z: 13 7.855 1.958 0.415 0.183 0.750 0.417 CB 1.597 13 residues pruned to eliminate duplicates Z: 51 20.859 2.013 0.552 0.311 0.820 0.620 CB 1.420 51 residues pruned to eliminate duplicates Z: 16 21.748 1.922 0.661 0.857 0.933 0.467 CB 1.389 16 residues pruned to eliminate duplicates Z: 9 3.379 1.646 0.061 0.377 0.750 0.750 CB 1.041 Z: 22 14.765 1.849 0.551 0.585 0.905 0.714 CB 1.145 15 residues pruned to eliminate duplicates Z: 19 14.278 1.781 0.741 0.494 0.889 0.833 CB 1.228 19 residues pruned to eliminate duplicates Z: 11 10.449 1.584 0.493 0.783 1.000 0.800 CB 1.089 11 residues pruned to eliminate duplicates Z: 14 19.022 1.866 0.841 0.674 1.000 0.692 CB 1.309 14 residues pruned to eliminate duplicates Z: 21 16.223 1.616 0.582 0.821 0.950 0.650 CB 1.131 21 residues pruned to eliminate duplicates Z: 11 9.632 1.554 0.744 0.752 0.900 0.700 CA 0.998 11 residues pruned to eliminate duplicates 6 1.313 1.419 0.571 0.295 0.400 0.400 N 0.829 ? Z: 21 13.290 1.786 0.434 0.548 0.900 0.650 CB 1.230 19 residues pruned to eliminate duplicates Z: 13 15.116 1.703 0.730 0.593 0.917 0.500 CA 1.478 13 residues pruned to eliminate duplicates Z: 23 18.827 1.844 0.756 0.657 0.909 0.591 CB 1.178 23 residues pruned to eliminate duplicates Z: 17 23.724 1.909 0.801 0.914 1.000 0.688 CB 1.220 17 residues pruned to eliminate duplicates Z: 17 20.565 1.997 0.622 0.889 1.000 0.938 CB 1.142 17 residues pruned to eliminate duplicates Z: 17 10.919 1.852 0.303 0.462 0.938 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 20 10.309 1.826 0.244 0.423 0.895 0.684 CB 1.261 20 residues pruned to eliminate duplicates Z: 6 4.784 1.645 0.612 0.471 0.800 0.600 N 1.039 6 residues pruned to eliminate duplicates Z: 6 4.577 1.474 0.583 0.548 0.800 0.600 N 1.046 Z: 13 24.621 1.988 0.849 0.905 1.000 0.583 CB 1.376 13 residues pruned to eliminate duplicates Z: 18 17.838 1.896 0.524 0.799 0.882 0.529 CA 1.306 18 residues pruned to eliminate duplicates Z: 21 26.426 1.904 0.652 0.911 1.000 0.850 CA 1.331 21 residues pruned to eliminate duplicates Z: 27 20.602 1.854 0.605 0.455 0.923 0.500 CB 1.541 27 residues pruned to eliminate duplicates Z: 8 9.447 1.699 0.565 0.577 1.000 0.714 CB 1.247 7 1.982 1.654 -0.238 0.514 0.833 0.667 CB 0.760 ? Z: 19 12.773 1.760 0.492 0.466 0.889 0.333 CB 1.336 19 residues pruned to eliminate duplicates Z: 6 5.884 1.846 0.843 0.492 1.000 0.600 CB 0.780 Z: 8 9.894 1.921 0.669 0.397 0.857 0.429 N 1.517 Z: 11 17.450 1.782 1.182 0.773 0.900 0.700 CB 1.239 11 residues pruned to eliminate duplicates Z: 18 24.179 1.813 0.914 0.867 1.000 0.294 CB 1.237 17 residues pruned to eliminate duplicates Z: 8 16.375 1.847 0.645 0.755 1.000 0.714 CA 1.623 10 residues pruned to eliminate duplicates Z: 6 5.256 1.724 0.111 0.491 1.000 0.800 CA 1.238 Z: 14 19.570 1.832 0.494 0.926 1.000 0.923 CA 1.392 14 residues pruned to eliminate duplicates Z: 19 28.949 2.015 0.760 0.890 0.944 0.778 CA 1.466 19 residues pruned to eliminate duplicates Z: 11 14.728 1.823 0.428 0.757 1.000 0.700 CB 1.424 11 residues pruned to eliminate duplicates Z: 24 10.215 1.658 0.493 0.401 0.870 0.478 CB 1.098 Z: 11 14.915 1.777 0.583 0.700 1.000 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 41 24.219 2.083 0.731 0.352 0.875 0.625 CB 1.424 41 residues pruned to eliminate duplicates Z: 26 13.130 1.780 0.591 0.437 0.800 0.640 CB 1.237 26 residues pruned to eliminate duplicates Z: 9 6.554 1.718 0.100 0.518 0.875 0.250 CB 1.376 Z: 10 7.918 1.692 0.575 0.551 0.778 0.444 CB 1.211 10 residues pruned to eliminate duplicates Z: 16 24.220 1.962 0.828 0.919 0.933 0.800 CB 1.317 16 residues pruned to eliminate duplicates Z: 41 21.634 1.997 0.563 0.338 0.850 0.525 CA 1.538 41 residues pruned to eliminate duplicates Z: 11 12.841 1.808 0.603 0.577 0.900 0.500 N 1.445 13 residues pruned to eliminate duplicates Z: 7 4.754 1.417 0.283 0.646 1.000 0.500 N 0.932 7 residues pruned to eliminate duplicates Z: 16 18.452 1.972 0.790 0.893 0.933 0.800 CB 1.038 16 residues pruned to eliminate duplicates Z: 15 19.863 1.769 0.671 0.912 1.000 0.786 CA 1.272 14 residues pruned to eliminate duplicates Z: 8 7.493 1.747 0.619 0.442 0.857 0.714 CA 1.240 Z: 44 21.736 2.028 0.538 0.341 0.884 0.419 CB 1.431 44 residues pruned to eliminate duplicates Z: 15 15.676 1.892 0.684 0.625 0.857 0.571 CB 1.364 15 residues pruned to eliminate duplicates Z: 23 16.888 1.854 0.836 0.617 0.909 0.591 CB 1.041 22 residues pruned to eliminate duplicates Z: 23 14.545 1.816 0.556 0.451 0.864 0.591 CA 1.337 23 residues pruned to eliminate duplicates Z: 23 13.054 1.598 0.448 0.452 0.955 0.500 CB 1.324 Z: 10 10.797 1.735 0.542 0.898 1.000 0.889 CB 0.962 Z: 9 4.286 1.847 0.181 0.356 0.750 0.625 CB 1.082 9 residues pruned to eliminate duplicates Z: 11 15.351 1.629 0.770 0.850 1.000 0.800 N 1.248 11 residues pruned to eliminate duplicates Z: 18 24.085 1.935 0.554 0.891 1.000 0.824 CB 1.397 18 residues pruned to eliminate duplicates Z: 25 17.427 1.927 0.387 0.572 0.958 0.708 CB 1.295 25 residues pruned to eliminate duplicates Z: 36 19.948 1.842 0.447 0.708 0.971 0.800 CB 1.078 30 residues pruned to eliminate duplicates Z: 16 21.195 1.991 0.443 0.853 1.000 0.600 CB 1.408 16 residues pruned to eliminate duplicates Z: 14 15.558 1.734 1.076 0.611 0.923 0.769 CB 1.169 Z: 20 14.663 1.612 0.583 0.789 0.947 0.737 CB 1.079 20 residues pruned to eliminate duplicates Z: 26 24.695 1.870 0.670 0.605 0.920 0.560 CB 1.556 26 residues pruned to eliminate duplicates Z: 11 8.421 1.568 0.542 0.793 0.800 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 38 32.548 1.978 0.700 0.641 0.973 0.649 CB 1.433 38 residues pruned to eliminate duplicates Z: 19 19.740 1.947 0.519 0.781 1.000 0.778 CB 1.228 19 residues pruned to eliminate duplicates Z: 37 20.939 2.028 0.594 0.330 0.861 0.556 CB 1.510 37 residues pruned to eliminate duplicates Z: 18 9.210 1.698 0.271 0.509 0.824 0.588 CB 1.246 18 residues pruned to eliminate duplicates Z: 20 27.773 1.989 0.600 0.888 1.000 0.947 CA 1.442 20 residues pruned to eliminate duplicates Z: 10 13.390 1.713 0.842 0.695 1.000 0.889 CB 1.184 Z: 14 25.172 1.955 0.739 0.909 1.000 0.846 CB 1.457 14 residues pruned to eliminate duplicates Z: 20 6.312 1.632 0.331 0.221 0.842 0.368 CB 1.098 6 residues pruned to eliminate duplicates Z: 11 16.987 1.648 0.891 0.891 1.000 0.900 CB 1.239 12 residues pruned to eliminate duplicates Z: 11 12.592 1.554 0.649 0.833 1.000 0.500 CA 1.166 10 residues pruned to eliminate duplicates Z: 9 10.399 1.780 0.266 0.834 1.000 0.875 CB 1.223 9 residues pruned to eliminate duplicates Z: 17 17.467 1.975 0.496 0.874 0.938 0.875 CB 1.147 17 residues pruned to eliminate duplicates Z: 13 21.240 1.997 0.721 0.891 0.917 0.833 CB 1.400 13 residues pruned to eliminate duplicates Z: 9 12.817 1.663 0.714 0.756 1.000 0.375 CB 1.266 9 residues pruned to eliminate duplicates Z: 20 16.568 1.752 0.303 0.899 1.000 0.947 CA 1.191 20 residues pruned to eliminate duplicates Z: 9 8.068 1.800 0.546 0.514 0.750 0.750 N 1.348 9 residues pruned to eliminate duplicates Z: 14 16.507 1.960 0.490 0.854 0.846 0.615 CB 1.369 13 residues pruned to eliminate duplicates Z: 6 4.483 1.674 0.513 0.776 0.800 0.800 CB 0.775 6 residues pruned to eliminate duplicates Z: 10 9.690 1.538 0.647 0.862 0.889 0.667 CA 1.053 Z: 15 17.401 1.806 0.497 0.932 1.000 0.929 CA 1.201 15 residues pruned to eliminate duplicates Z: 6 5.149 1.417 0.580 0.640 0.800 0.600 CA 1.127 5 residues pruned to eliminate duplicates Z: 19 16.402 1.814 0.347 0.851 0.944 0.778 CB 1.240 19 residues pruned to eliminate duplicates Z: 23 17.940 1.844 0.664 0.568 0.909 0.500 CB 1.283 23 residues pruned to eliminate duplicates Z: 8 3.127 1.669 0.130 0.480 0.857 0.429 CB 0.746 8 residues pruned to eliminate duplicates Z: 32 23.110 1.809 0.593 0.677 1.000 0.710 CB 1.223 22 residues pruned to eliminate duplicates Z: 7 7.390 1.818 0.415 0.359 1.000 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 16 19.411 1.999 0.624 0.880 1.000 0.800 CB 1.119 16 residues pruned to eliminate duplicates Z: 41 20.611 1.813 0.654 0.507 0.900 0.525 CB 1.199 37 residues pruned to eliminate duplicates Z: 14 22.834 1.925 0.743 0.909 1.000 0.692 CB 1.340 14 residues pruned to eliminate duplicates Z: 11 3.808 1.710 0.719 0.280 0.600 0.300 CB 0.875 9 residues pruned to eliminate duplicates Z: 14 15.630 1.770 0.667 0.930 1.000 0.846 CB 1.027 10 residues pruned to eliminate duplicates Z: 13 13.493 1.857 0.533 0.607 0.833 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 6 2.449 1.663 0.030 0.338 0.600 0.600 C 1.272 6 residues pruned to eliminate duplicates Z: 11 8.790 1.714 0.272 0.595 1.000 0.300 CB 1.164 10 residues pruned to eliminate duplicates Z: 11 8.069 1.809 0.273 0.504 0.900 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 22 19.144 1.874 0.496 0.668 1.000 0.619 CB 1.276 23 residues pruned to eliminate duplicates Z: 17 24.377 1.909 0.826 0.859 1.000 0.688 CB 1.286 23 residues pruned to eliminate duplicates Z: 75 32.631 1.980 0.643 0.447 0.892 0.622 CB 1.380 76 residues pruned to eliminate duplicates Z: 20 16.614 1.865 0.646 0.611 0.947 0.737 CB 1.180 20 residues pruned to eliminate duplicates Z: 13 11.540 1.789 0.857 0.429 0.833 0.417 CB 1.295 13 residues pruned to eliminate duplicates Z: 12 14.645 1.824 0.634 0.671 0.818 0.727 CA 1.547 8 residues pruned to eliminate duplicates Z: 28 15.218 1.763 0.664 0.532 0.926 0.593 CB 1.044 46 residues pruned to eliminate duplicates Z: 29 16.572 1.794 0.755 0.552 0.857 0.750 CB 1.103 29 residues pruned to eliminate duplicates Z: 29 18.050 2.102 0.540 0.358 0.857 0.571 CB 1.433 29 residues pruned to eliminate duplicates Z: 15 22.798 1.912 0.707 0.908 0.929 0.857 CB 1.428 15 residues pruned to eliminate duplicates Z: 20 26.544 1.977 0.573 0.892 1.000 0.789 CA 1.406 20 residues pruned to eliminate duplicates Z: 18 17.384 1.835 0.838 0.577 0.824 0.588 N 1.408 18 residues pruned to eliminate duplicates Z: 13 18.586 1.845 0.547 0.933 1.000 0.917 CB 1.311 13 residues pruned to eliminate duplicates Z: 15 12.195 1.780 0.253 0.570 0.929 0.500 N 1.470 15 residues pruned to eliminate duplicates Z: 27 16.070 2.101 0.593 0.259 0.885 0.423 CB 1.403 27 residues pruned to eliminate duplicates Z: 17 18.229 1.803 0.758 0.819 1.000 0.688 CB 1.090 17 residues pruned to eliminate duplicates Z: 17 17.753 1.838 0.427 0.826 0.938 0.625 CB 1.362 17 residues pruned to eliminate duplicates Z: 13 13.211 1.495 0.878 0.783 1.000 0.667 N 1.059 13 residues pruned to eliminate duplicates Z: 10 14.003 1.662 0.774 0.851 0.889 0.778 CB 1.319 10 residues pruned to eliminate duplicates Z: 16 15.519 1.863 0.193 0.876 1.000 0.867 CB 1.310 16 residues pruned to eliminate duplicates Z: 6 2.027 1.507 -0.095 0.608 1.000 0.600 CB 0.600 Z: 6 4.604 1.856 0.695 0.425 0.600 0.400 N 1.180 6 residues pruned to eliminate duplicates Z: 21 21.191 1.908 0.463 0.875 0.950 0.950 CA 1.300 21 residues pruned to eliminate duplicates Z: 18 21.893 1.937 0.995 0.734 0.882 0.706 CB 1.261 18 residues pruned to eliminate duplicates Z: 15 21.123 1.734 0.713 0.932 1.000 0.643 CB 1.327 14 residues pruned to eliminate duplicates Z: 14 21.111 1.933 0.606 0.911 1.000 0.846 CB 1.337 14 residues pruned to eliminate duplicates Z: 14 6.087 1.682 0.583 0.243 0.692 0.385 CB 1.233 Z: 32 29.513 1.937 0.689 0.710 0.968 0.742 CB 1.384 32 residues pruned to eliminate duplicates Z: 20 18.287 1.760 0.704 0.538 0.947 0.684 CB 1.423 20 residues pruned to eliminate duplicates Z: 27 15.421 1.885 0.320 0.450 0.846 0.500 CB 1.512 27 residues pruned to eliminate duplicates Z: 13 13.244 1.806 0.456 0.812 0.833 0.833 CA 1.330 13 residues pruned to eliminate duplicates Z: 38 20.325 2.020 0.522 0.351 0.892 0.595 CB 1.432 38 residues pruned to eliminate duplicates Z: 11 14.975 1.730 0.900 0.857 1.000 0.400 CB 1.062 11 residues pruned to eliminate duplicates 6 1.107 1.229 0.027 0.316 0.600 0.400 N 0.801 ? Z: 7 5.431 1.515 0.346 0.490 1.000 0.667 CB 1.098 Z: 9 8.409 1.747 0.782 0.444 0.875 0.750 CA 1.157 10 residues pruned to eliminate duplicates Z: 8 8.287 1.615 1.125 0.828 0.714 0.571 N 0.962 8 residues pruned to eliminate duplicates Z: 16 21.414 1.914 0.748 0.884 1.000 0.600 CB 1.194 16 residues pruned to eliminate duplicates Z: 6 3.730 1.841 -0.281 0.882 1.000 1.000 CB 0.912 6 residues pruned to eliminate duplicates Z: 13 15.553 1.846 0.580 0.571 1.000 0.417 N 1.438 13 residues pruned to eliminate duplicates Z: 17 10.786 1.742 0.227 0.375 1.000 0.312 N 1.441 17 residues pruned to eliminate duplicates Z: 8 10.637 1.716 1.031 0.567 0.714 0.714 O 1.513 Z: 20 15.010 1.831 0.549 0.699 1.000 0.684 CB 1.013 20 residues pruned to eliminate duplicates Z: 9 12.063 1.803 0.448 0.907 1.000 0.750 CB 1.162 9 residues pruned to eliminate duplicates Z: 16 22.389 1.949 0.807 0.889 0.933 0.600 CB 1.266 19 residues pruned to eliminate duplicates Z: 25 9.069 1.663 0.464 0.331 0.875 0.417 CB 1.046 23 residues pruned to eliminate duplicates Z: 34 21.388 1.774 0.629 0.659 0.939 0.636 CB 1.183 34 residues pruned to eliminate duplicates Z: 7 8.261 1.658 0.363 0.862 1.000 0.667 CA 1.096 7 residues pruned to eliminate duplicates Z: 27 31.277 1.979 0.909 0.703 0.923 0.692 CB 1.462 27 residues pruned to eliminate duplicates Z: 20 15.277 1.853 0.462 0.433 0.895 0.526 CB 1.549 20 residues pruned to eliminate duplicates Z: 15 12.674 1.650 0.705 0.713 0.857 0.857 N 1.158 15 residues pruned to eliminate duplicates Z: 12 5.785 1.763 0.114 0.412 0.818 0.636 CB 1.190 12 residues pruned to eliminate duplicates Z: 6 2.064 1.544 0.183 0.297 0.600 0.400 CB 1.057 Z: 20 15.986 1.774 0.468 0.800 0.842 0.632 CB 1.287 20 residues pruned to eliminate duplicates Z: 6 3.800 1.828 0.116 0.829 0.800 0.800 CB 0.783 6 residues pruned to eliminate duplicates Z: 14 19.508 1.878 0.765 0.916 0.923 0.692 CB 1.249 14 residues pruned to eliminate duplicates Z: 8 11.557 1.818 0.567 0.531 1.000 0.857 CB 1.487 8 residues pruned to eliminate duplicates Z: 15 8.837 1.902 0.263 0.429 0.786 0.357 CB 1.347 22 residues pruned to eliminate duplicates Z: 10 5.825 1.752 0.022 0.638 0.889 0.556 CB 1.071 Z: 17 20.067 1.904 0.589 0.897 0.938 0.688 CB 1.266 17 residues pruned to eliminate duplicates Z: 9 10.759 1.550 0.462 0.881 1.000 0.875 CA 1.216 9 residues pruned to eliminate duplicates Z: 10 6.402 1.715 0.239 0.348 0.889 0.333 N 1.333 10 residues pruned to eliminate duplicates Z: 26 19.848 1.854 0.581 0.613 0.920 0.720 CB 1.322 26 residues pruned to eliminate duplicates Z: 11 14.519 1.723 0.636 0.600 1.000 0.600 O 1.480 11 residues pruned to eliminate duplicates Z: 6 4.335 1.878 -0.014 0.585 0.800 0.800 CB 1.206 Z: 7 8.058 1.460 1.242 0.618 0.833 0.333 O 1.079 Z: 12 6.054 1.544 0.753 0.401 0.727 0.545 CB 1.030 10 residues pruned to eliminate duplicates Z: 7 5.158 1.615 0.615 0.499 0.833 0.667 CB 0.970 7 residues pruned to eliminate duplicates Z: 20 30.978 1.952 0.761 0.911 1.000 0.737 CB 1.465 20 residues pruned to eliminate duplicates Z: 22 14.272 1.895 0.535 0.576 0.857 0.619 CB 1.161 22 residues pruned to eliminate duplicates Z: 11 18.160 1.909 0.885 0.778 0.900 0.800 CB 1.388 11 residues pruned to eliminate duplicates Z: 35 23.972 1.849 0.667 0.485 0.941 0.559 CB 1.438 32 residues pruned to eliminate duplicates Z: 13 20.100 1.859 0.658 0.912 0.917 0.917 CA 1.454 13 residues pruned to eliminate duplicates Z: 20 18.478 1.767 0.340 0.868 1.000 0.842 CB 1.308 20 residues pruned to eliminate duplicates Z: 10 9.715 1.635 0.691 0.663 0.889 0.778 CB 1.132 Z: 11 16.998 1.780 0.926 0.818 1.000 0.800 CB 1.189 11 residues pruned to eliminate duplicates Z: 6 11.812 1.777 0.635 0.767 1.000 0.800 CB 1.435 6 residues pruned to eliminate duplicates Z: 19 12.087 1.766 0.406 0.534 0.833 0.500 CB 1.331 19 residues pruned to eliminate duplicates Z: 16 12.268 1.914 0.524 0.448 0.933 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 15 19.911 1.840 0.840 0.626 0.929 0.786 CB 1.502 15 residues pruned to eliminate duplicates Z: 18 7.971 1.620 0.275 0.509 0.882 0.647 CB 1.052 Z: 8 4.284 1.527 0.625 0.502 0.714 0.571 N 0.912 Z: 12 13.143 1.778 0.402 0.906 1.000 0.818 CB 1.131 12 residues pruned to eliminate duplicates Z: 13 16.292 1.783 0.513 0.648 1.000 0.667 O 1.518 13 residues pruned to eliminate duplicates Z: 9 4.265 1.653 0.246 0.191 0.875 0.625 CB 1.212 9 residues pruned to eliminate duplicates Z: 11 15.722 1.824 0.616 0.805 1.000 0.900 CB 1.292 11 residues pruned to eliminate duplicates Z: 13 13.481 1.833 0.413 0.638 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 26 19.172 1.922 0.451 0.609 0.960 0.840 CB 1.291 26 residues pruned to eliminate duplicates Z: 21 14.548 1.964 0.284 0.469 0.850 0.600 CB 1.567 21 residues pruned to eliminate duplicates Z: 10 5.392 1.710 0.519 0.392 0.667 0.333 CB 1.163 10 residues pruned to eliminate duplicates Z: 15 20.528 1.945 0.817 0.852 0.929 0.786 CA 1.236 15 residues pruned to eliminate duplicates Z: 15 17.325 1.763 0.504 0.902 1.000 0.786 CA 1.245 15 residues pruned to eliminate duplicates Z: 32 16.350 1.953 0.491 0.325 0.871 0.484 CB 1.403 32 residues pruned to eliminate duplicates Z: 12 14.057 1.792 0.450 0.822 0.909 0.727 CA 1.357 11 residues pruned to eliminate duplicates Z: 6 5.434 1.495 0.646 0.438 0.800 0.800 N 1.316 Z: 19 20.034 1.777 0.443 0.873 1.000 0.778 CB 1.341 19 residues pruned to eliminate duplicates Z: 10 14.782 1.795 0.367 0.862 1.000 1.000 CA 1.475 10 residues pruned to eliminate duplicates Z: 11 5.389 1.413 0.512 0.548 0.800 0.400 CA 0.952 11 residues pruned to eliminate duplicates Z: 7 7.516 1.809 0.365 0.566 1.000 0.500 CB 1.166 7 residues pruned to eliminate duplicates Z: 6 6.271 1.664 0.343 0.539 1.000 0.600 N 1.208 6 residues pruned to eliminate duplicates 7 1.846 1.632 0.224 0.378 0.667 0.500 CB 0.644 ? Z: 6 2.093 1.524 0.101 0.385 0.600 0.600 CB 1.050 Z: 7 3.816 1.575 0.389 0.249 0.833 0.333 CB 1.140 Z: 17 12.921 1.712 0.550 0.466 0.938 0.625 CB 1.345 17 residues pruned to eliminate duplicates Z: 8 3.341 1.629 0.330 0.343 0.714 0.714 CB 0.968 8 residues pruned to eliminate duplicates Z: 9 8.383 2.055 0.289 0.368 1.000 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 11 12.785 2.011 0.366 0.547 0.900 0.800 CB 1.562 11 residues pruned to eliminate duplicates Z: 9 7.334 1.778 0.168 0.843 1.000 0.875 CB 0.930 12 residues pruned to eliminate duplicates Z: 18 23.065 1.890 0.793 0.891 0.882 0.647 CB 1.345 18 residues pruned to eliminate duplicates Z: 13 21.325 1.871 0.995 0.924 0.917 0.500 CB 1.264 13 residues pruned to eliminate duplicates Z: 16 7.881 1.644 0.471 0.405 0.867 0.267 CB 1.073 16 residues pruned to eliminate duplicates Z: 11 8.564 1.711 0.546 0.546 0.800 0.500 CB 1.223 Z: 33 25.081 1.907 0.742 0.631 0.875 0.656 CB 1.349 33 residues pruned to eliminate duplicates Z: 17 12.403 2.037 0.597 0.430 0.688 0.562 CA 1.491 17 residues pruned to eliminate duplicates Z: 41 23.877 2.033 0.784 0.383 0.900 0.575 CB 1.310 47 residues pruned to eliminate duplicates Z: 8 13.090 1.843 0.439 0.760 1.000 0.857 CA 1.481 Z: 12 11.811 1.519 0.587 0.786 1.000 0.545 CB 1.149 12 residues pruned to eliminate duplicates Z: 20 21.308 1.782 0.660 0.862 1.000 0.737 CB 1.213 20 residues pruned to eliminate duplicates Z: 15 11.783 1.830 0.486 0.585 0.929 0.643 CB 1.149 15 residues pruned to eliminate duplicates Z: 9 10.497 1.785 0.538 0.901 1.000 0.875 CB 0.965 9 residues pruned to eliminate duplicates Z: 17 27.015 1.977 0.715 0.898 1.000 0.812 CA 1.425 17 residues pruned to eliminate duplicates Z: 11 17.997 1.800 1.014 0.859 1.000 0.700 CB 1.155 11 residues pruned to eliminate duplicates Z: 7 6.556 1.643 0.325 0.629 1.000 0.667 O 1.089 8 residues pruned to eliminate duplicates Z: 10 5.374 1.672 0.218 0.497 0.667 0.556 CB 1.323 10 residues pruned to eliminate duplicates Z: 26 18.054 1.778 0.630 0.601 0.880 0.600 CB 1.285 14 residues pruned to eliminate duplicates Z: 44 22.828 1.819 0.496 0.599 0.953 0.628 CB 1.222 44 residues pruned to eliminate duplicates Z: 8 9.765 1.755 0.319 0.895 1.000 1.000 CB 1.143 8 residues pruned to eliminate duplicates Z: 8 12.373 1.837 0.597 0.725 1.000 1.000 CB 1.302 7 residues pruned to eliminate duplicates Z: 16 9.852 1.729 0.356 0.402 0.933 0.600 CB 1.288 16 residues pruned to eliminate duplicates 7 1.444 1.373 -0.131 0.341 0.833 0.667 CB 0.706 ? Z: 14 12.201 1.760 0.464 0.499 0.923 0.769 CB 1.425 14 residues pruned to eliminate duplicates Z: 16 22.232 1.703 1.039 0.928 1.000 0.533 CB 1.158 16 residues pruned to eliminate duplicates Z: 12 10.516 1.711 0.377 0.671 1.000 0.545 CA 1.149 12 residues pruned to eliminate duplicates Z: 8 8.605 1.771 0.570 0.438 0.857 0.571 CA 1.455 Z: 20 10.862 1.936 0.392 0.355 0.737 0.526 CA 1.467 20 residues pruned to eliminate duplicates Z: 22 18.867 1.884 0.509 0.748 0.905 0.762 CB 1.282 22 residues pruned to eliminate duplicates Z: 61 27.256 1.958 0.676 0.349 0.917 0.567 CB 1.377 61 residues pruned to eliminate duplicates Z: 53 26.095 1.791 0.588 0.572 0.904 0.577 CB 1.313 53 residues pruned to eliminate duplicates Z: 13 23.992 1.994 0.856 0.919 1.000 0.583 CB 1.319 13 residues pruned to eliminate duplicates Z: 13 19.715 1.877 0.761 0.737 0.917 0.667 CB 1.518 13 residues pruned to eliminate duplicates Z: 6 2.500 1.666 0.001 0.691 1.000 0.800 CB 0.563 Z: 8 12.931 1.864 0.413 0.892 1.000 1.000 CB 1.334 8 residues pruned to eliminate duplicates Z: 17 12.658 1.746 0.661 0.536 0.812 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 14 11.789 1.720 0.351 0.604 0.923 0.615 CA 1.381 14 residues pruned to eliminate duplicates Z: 8 4.667 1.688 0.398 0.355 0.714 0.571 CB 1.224 8 residues pruned to eliminate duplicates Z: 10 3.768 1.635 -0.216 0.593 1.000 0.333 CB 0.896 Z: 14 10.684 1.862 0.346 0.426 0.923 0.692 CB 1.383 14 residues pruned to eliminate duplicates Z: 8 2.319 1.538 -0.159 0.449 1.000 0.286 CB 0.714 Z: 51 18.015 1.950 0.400 0.321 0.880 0.520 CB 1.292 51 residues pruned to eliminate duplicates Z: 10 15.193 1.872 0.384 0.880 1.000 0.778 CA 1.417 10 residues pruned to eliminate duplicates Z: 18 8.926 1.873 0.106 0.386 0.882 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 14 16.509 1.875 0.293 0.884 1.000 0.769 CA 1.364 14 residues pruned to eliminate duplicates Z: 6 2.788 1.328 0.437 0.300 0.800 0.400 CB 1.022 Z: 44 22.433 1.846 0.684 0.461 0.837 0.535 CB 1.368 44 residues pruned to eliminate duplicates Z: 7 3.271 1.499 0.430 0.561 0.833 0.667 CB 0.704 7 residues pruned to eliminate duplicates Z: 18 8.038 1.694 0.497 0.305 0.765 0.471 CB 1.248 18 residues pruned to eliminate duplicates Z: 10 16.391 1.697 0.738 0.858 1.000 0.778 CB 1.364 10 residues pruned to eliminate duplicates Z: 18 20.199 1.851 0.700 0.855 0.941 0.588 CB 1.220 18 residues pruned to eliminate duplicates Z: 15 11.718 1.633 0.591 0.812 0.929 0.643 CB 0.990 15 residues pruned to eliminate duplicates Z: 41 21.393 1.922 0.399 0.532 0.850 0.600 CB 1.435 41 residues pruned to eliminate duplicates Z: 8 7.262 1.622 0.767 0.470 0.857 0.429 CA 1.152 8 residues pruned to eliminate duplicates Z: 51 31.472 1.962 0.542 0.613 0.940 0.700 CB 1.407 51 residues pruned to eliminate duplicates Z: 21 18.735 1.849 0.306 0.827 0.950 0.800 CA 1.376 21 residues pruned to eliminate duplicates Z: 6 6.514 1.510 0.368 0.785 1.000 0.600 CB 1.097 6 residues pruned to eliminate duplicates Z: 9 7.018 1.720 0.425 0.532 0.875 0.625 CB 1.121 10 residues pruned to eliminate duplicates Z: 7 6.294 1.709 0.030 0.570 1.000 0.500 CB 1.364 7 residues pruned to eliminate duplicates Z: 14 15.404 1.907 0.733 0.568 0.923 0.615 CB 1.312 14 residues pruned to eliminate duplicates Z: 6 6.899 1.614 0.249 0.805 1.000 0.600 N 1.173 6 residues pruned to eliminate duplicates Z: 25 14.136 1.785 0.572 0.495 0.875 0.542 CB 1.182 25 residues pruned to eliminate duplicates Z: 17 8.630 1.852 0.268 0.411 0.812 0.500 CB 1.241 15 residues pruned to eliminate duplicates Z: 10 19.036 1.717 0.937 0.876 1.000 0.778 N 1.387 10 residues pruned to eliminate duplicates Z: 7 4.527 1.605 0.110 0.522 1.000 0.500 CB 1.016 Z: 18 19.732 1.803 0.579 0.846 0.941 0.765 CB 1.327 18 residues pruned to eliminate duplicates Z: 6 11.397 1.836 0.990 0.805 1.000 1.000 CB 1.069 8 residues pruned to eliminate duplicates Z: 10 8.395 1.830 0.494 0.506 0.778 0.444 CB 1.309 10 residues pruned to eliminate duplicates Z: 8 5.107 1.540 0.725 0.343 0.714 0.571 N 1.207 Z: 9 4.218 1.538 0.343 0.338 0.750 0.375 N 1.148 9 residues pruned to eliminate duplicates Z: 9 9.168 1.339 0.836 0.889 1.000 0.250 CB 0.949 9 residues pruned to eliminate duplicates Z: 6 4.981 1.719 -0.130 0.780 1.000 0.600 C 1.162 Z: 14 23.482 1.841 0.748 0.938 1.000 1.000 CA 1.408 14 residues pruned to eliminate duplicates Z: 7 3.826 1.573 0.059 0.384 0.833 0.667 CA 1.272 Z: 6 5.449 1.509 0.604 0.788 1.000 1.000 N 0.782 6 residues pruned to eliminate duplicates Z: 17 15.645 1.827 0.733 0.745 0.875 0.625 CB 1.134 17 residues pruned to eliminate duplicates Z: 16 18.226 1.724 0.485 0.916 1.000 0.933 CA 1.299 16 residues pruned to eliminate duplicates Z: 24 15.459 1.825 0.552 0.527 0.870 0.565 CB 1.273 24 residues pruned to eliminate duplicates Z: 13 9.196 1.696 0.458 0.556 0.833 0.583 N 1.220 13 residues pruned to eliminate duplicates Z: 9 17.177 2.051 0.558 0.589 1.000 0.625 CA 1.745 9 residues pruned to eliminate duplicates Z: 13 8.693 1.812 0.222 0.303 0.917 0.583 CB 1.539 13 residues pruned to eliminate duplicates Z: 14 23.900 1.858 0.742 0.932 1.000 0.923 CB 1.430 14 residues pruned to eliminate duplicates Z: 13 12.205 1.926 0.495 0.418 0.917 0.750 CA 1.455 13 residues pruned to eliminate duplicates Z: 10 5.414 1.603 0.520 0.489 0.889 0.444 CB 0.842 10 residues pruned to eliminate duplicates Z: 9 12.792 1.812 0.444 0.886 1.000 1.000 CB 1.247 9 residues pruned to eliminate duplicates Z: 19 17.941 1.761 0.580 0.717 0.944 0.667 CA 1.323 18 residues pruned to eliminate duplicates Z: 27 16.310 1.772 0.586 0.534 0.923 0.615 CB 1.192 27 residues pruned to eliminate duplicates Z: 6 2.591 1.805 0.508 0.450 0.800 0.600 CB 0.560 6 residues pruned to eliminate duplicates Z: 13 9.984 1.659 0.638 0.368 0.917 0.500 CB 1.333 Z: 8 3.495 1.524 0.673 0.230 0.857 0.286 CB 0.828 8 residues pruned to eliminate duplicates Z: 9 15.637 1.768 0.667 0.889 1.000 0.750 CA 1.350 9 residues pruned to eliminate duplicates Z: 12 6.676 1.791 0.424 0.399 0.818 0.455 CB 1.073 12 residues pruned to eliminate duplicates Z: 19 19.643 1.754 0.748 0.887 0.944 0.444 CB 1.153 19 residues pruned to eliminate duplicates Z: 15 7.177 1.653 0.247 0.535 0.929 0.500 CB 0.969 Z: 45 29.802 1.891 0.758 0.648 0.932 0.682 CB 1.263 45 residues pruned to eliminate duplicates Z: 20 15.315 1.898 0.151 0.881 1.000 0.947 CA 1.165 20 residues pruned to eliminate duplicates Z: 14 5.167 1.532 0.491 0.282 0.769 0.538 CA 1.043 14 residues pruned to eliminate duplicates Z: 18 23.243 1.896 0.705 0.900 1.000 0.706 CB 1.246 18 residues pruned to eliminate duplicates Z: 14 17.586 1.777 0.854 0.909 1.000 0.769 CB 1.051 14 residues pruned to eliminate duplicates Z: 6 8.299 1.842 0.433 0.865 1.000 1.000 CB 1.030 6 residues pruned to eliminate duplicates Z: 6 8.329 1.747 0.261 0.850 1.000 1.000 CA 1.253 6 residues pruned to eliminate duplicates Z: 23 13.793 1.837 0.502 0.426 0.818 0.455 CB 1.405 23 residues pruned to eliminate duplicates Z: 22 12.515 1.912 0.450 0.345 0.905 0.476 CB 1.288 22 residues pruned to eliminate duplicates Z: 19 15.531 1.723 0.757 0.853 0.944 0.611 CB 0.946 19 residues pruned to eliminate duplicates Z: 8 7.851 1.729 0.493 0.467 1.000 0.571 CB 1.189 8 residues pruned to eliminate duplicates Z: 22 18.412 1.851 0.608 0.547 0.905 0.524 N 1.425 22 residues pruned to eliminate duplicates Z: 9 2.480 1.568 0.306 0.381 0.625 0.375 CB 0.777 9 residues pruned to eliminate duplicates Z: 13 16.180 1.774 0.652 0.660 0.917 0.667 CB 1.499 14 residues pruned to eliminate duplicates 6 1.892 1.588 -0.093 0.356 0.600 0.200 CB 1.145 ? Z: 6 5.792 1.598 0.474 0.591 1.000 0.600 CB 1.008 Z: 15 10.634 1.682 0.522 0.460 0.857 0.571 N 1.349 15 residues pruned to eliminate duplicates Z: 11 10.926 1.661 0.778 0.541 1.000 0.700 CB 1.124 14 residues pruned to eliminate duplicates Z: 12 8.177 1.745 0.640 0.471 0.727 0.545 CA 1.221 Z: 33 26.127 1.868 0.641 0.614 1.000 0.688 CB 1.353 33 residues pruned to eliminate duplicates Z: 26 19.392 1.859 0.526 0.740 0.880 0.560 CB 1.252 34 residues pruned to eliminate duplicates Z: 10 10.266 1.712 0.419 0.710 0.889 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 17 12.509 1.951 0.397 0.507 0.938 0.625 CB 1.215 17 residues pruned to eliminate duplicates Z: 15 4.720 1.563 0.254 0.382 0.786 0.286 CB 0.929 15 residues pruned to eliminate duplicates Z: 33 19.049 1.836 0.359 0.606 0.969 0.562 CB 1.259 33 residues pruned to eliminate duplicates Z: 11 8.796 1.731 0.333 0.577 0.900 0.500 CA 1.244 11 residues pruned to eliminate duplicates Z: 16 17.360 1.996 0.506 0.925 1.000 0.933 CB 1.047 16 residues pruned to eliminate duplicates Z: 7 12.394 1.788 0.980 0.803 1.000 0.667 CB 1.097 7 residues pruned to eliminate duplicates Z: 6 2.760 1.607 0.429 0.340 0.600 0.400 N 1.066 6 residues pruned to eliminate duplicates Z: 8 6.739 1.686 0.367 0.804 1.000 0.714 CB 0.847 Z: 8 8.172 1.708 0.686 0.837 0.857 0.714 CB 0.936 8 residues pruned to eliminate duplicates Z: 17 14.678 1.943 0.344 0.865 0.938 0.750 CB 1.098 17 residues pruned to eliminate duplicates Z: 17 11.790 2.026 0.602 0.250 0.875 0.562 CB 1.384 17 residues pruned to eliminate duplicates Z: 12 5.937 1.564 0.107 0.742 1.000 0.818 CB 0.832 Z: 11 8.415 1.267 0.454 0.862 1.000 0.700 N 1.061 11 residues pruned to eliminate duplicates Z: 11 3.055 1.610 0.314 0.310 0.600 0.400 CB 0.940 11 residues pruned to eliminate duplicates Z: 8 6.562 1.685 0.511 0.309 1.000 0.571 CB 1.203 8 residues pruned to eliminate duplicates Z: 8 5.126 1.386 0.735 0.445 0.857 0.429 CB 0.995 Z: 10 9.403 1.760 0.622 0.561 0.778 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 7 3.480 1.602 0.548 0.246 0.833 0.500 CB 0.922 Z: 9 4.536 1.496 0.266 0.436 0.875 0.625 CB 1.033 8 residues pruned to eliminate duplicates Z: 8 9.802 1.854 0.328 0.865 1.000 1.000 CB 1.103 8 residues pruned to eliminate duplicates Z: 6 4.501 1.630 0.391 0.432 1.000 0.400 CB 0.954 Z: 10 16.824 1.703 0.774 0.794 1.000 0.778 N 1.435 Z: 9 13.065 1.720 0.560 0.702 1.000 0.875 CB 1.432 9 residues pruned to eliminate duplicates Z: 7 5.242 1.533 0.484 0.560 1.000 0.500 CA 0.887 Z: 11 6.438 1.490 0.326 0.784 1.000 0.800 CB 0.802 Z: 9 6.966 1.714 0.345 0.662 0.875 0.750 CB 1.051 7 residues pruned to eliminate duplicates Z: 36 15.718 1.828 0.473 0.450 0.886 0.686 CB 1.172 36 residues pruned to eliminate duplicates Z: 20 12.392 1.881 0.731 0.371 0.895 0.474 CB 1.120 20 residues pruned to eliminate duplicates Z: 9 3.359 1.568 -0.004 0.354 0.875 0.625 CB 1.017 Z: 10 15.873 1.587 1.003 0.863 1.000 0.667 CA 1.222 10 residues pruned to eliminate duplicates Z: 14 11.296 1.713 0.194 0.931 1.000 0.923 CB 1.071 14 residues pruned to eliminate duplicates Z: 11 5.655 1.632 0.453 0.333 0.800 0.700 CB 1.131 11 residues pruned to eliminate duplicates Z: 38 21.405 1.986 0.630 0.321 0.946 0.649 CB 1.400 38 residues pruned to eliminate duplicates Z: 8 3.952 1.645 0.836 0.515 0.714 0.571 CA 0.682 8 residues pruned to eliminate duplicates Z: 17 12.942 1.818 0.612 0.717 0.875 0.625 CB 1.037 17 residues pruned to eliminate duplicates Z: 7 3.777 1.468 0.666 0.320 0.667 0.500 CA 1.154 Z: 10 3.924 1.603 0.563 0.375 0.889 0.667 CB 0.671 9 residues pruned to eliminate duplicates Z: 6 3.153 1.639 0.290 0.239 1.000 0.400 CB 0.902 Z: 13 12.208 1.875 0.499 0.519 0.833 0.417 CA 1.476 20 residues pruned to eliminate duplicates Z: 52 22.908 1.995 0.607 0.342 0.882 0.569 CB 1.347 52 residues pruned to eliminate duplicates Z: 6 2.889 1.335 0.272 0.655 1.000 0.800 CB 0.658 6 residues pruned to eliminate duplicates Z: 8 3.589 1.428 0.083 0.526 0.857 0.429 CB 0.997 Z: 35 27.176 1.938 0.589 0.647 0.912 0.647 CB 1.447 35 residues pruned to eliminate duplicates Z: 6 4.813 1.613 0.403 0.460 1.000 0.400 CA 0.991 6 residues pruned to eliminate duplicates Z: 14 10.906 1.716 0.840 0.621 0.769 0.692 CB 1.112 Z: 20 15.881 1.672 0.668 0.822 0.947 0.474 CB 1.044 20 residues pruned to eliminate duplicates Z: 30 19.102 1.885 0.510 0.542 0.931 0.759 CA 1.285 30 residues pruned to eliminate duplicates Z: 9 11.824 1.538 0.739 0.857 1.000 0.875 CA 1.152 Z: 15 18.202 1.805 0.534 0.911 1.000 0.714 CB 1.245 15 residues pruned to eliminate duplicates Z: 8 6.250 1.877 0.657 0.430 0.714 0.571 CB 1.143 14 residues pruned to eliminate duplicates Z: 7 3.215 1.373 0.449 0.247 0.833 0.500 CA 1.059 Z: 26 7.232 1.583 0.380 0.394 0.760 0.560 CB 0.975 26 residues pruned to eliminate duplicates Z: 16 24.308 1.905 0.853 0.916 1.000 0.800 CB 1.256 16 residues pruned to eliminate duplicates Z: 32 13.990 1.757 0.392 0.444 0.871 0.613 CB 1.250 31 residues pruned to eliminate duplicates Z: 6 2.283 1.427 0.526 0.463 0.600 0.600 CB 0.811 Z: 9 7.419 1.614 0.332 0.480 1.000 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 15 8.218 1.711 0.500 0.544 0.786 0.643 CB 1.044 14 residues pruned to eliminate duplicates Z: 6 4.107 1.501 0.920 0.709 0.800 0.800 CB 0.659 Z: 23 8.031 1.683 0.325 0.503 0.864 0.545 CB 0.886 23 residues pruned to eliminate duplicates Z: 33 20.762 1.810 0.643 0.659 0.938 0.562 CB 1.136 33 residues pruned to eliminate duplicates Z: 9 4.959 1.607 0.382 0.533 0.875 0.750 CB 0.873 Z: 14 23.285 1.811 0.948 0.918 1.000 0.538 CB 1.291 14 residues pruned to eliminate duplicates Z: 25 11.445 1.922 0.346 0.320 0.917 0.625 CB 1.201 25 residues pruned to eliminate duplicates Z: 7 2.839 1.403 0.374 0.350 0.667 0.500 CA 1.061 7 1.583 1.309 0.657 0.356 0.667 0.500 CB 0.522 ? Z: 20 12.763 1.989 0.544 0.408 0.842 0.632 CA 1.248 20 residues pruned to eliminate duplicates Z: 16 9.405 1.583 0.728 0.341 0.933 0.400 CB 1.131 16 residues pruned to eliminate duplicates Z: 9 8.430 1.657 0.768 0.513 0.875 0.750 CB 1.148 Z: 30 25.011 1.825 0.766 0.676 0.966 0.586 CB 1.269 33 residues pruned to eliminate duplicates Z: 6 2.899 1.514 0.748 0.474 0.800 0.600 CB 0.629 Z: 11 5.703 1.523 0.356 0.535 1.000 0.900 CB 0.843 8 residues pruned to eliminate duplicates Z: 7 4.166 1.558 0.194 0.530 1.000 0.667 N 0.888 7 residues pruned to eliminate duplicates Z: 14 5.968 1.642 0.429 0.392 0.615 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 33 18.576 1.920 0.538 0.446 0.906 0.688 CB 1.297 33 residues pruned to eliminate duplicates Z: 8 9.219 1.642 0.749 0.740 1.000 0.857 CB 0.978 8 residues pruned to eliminate duplicates Z: 39 23.043 1.861 0.641 0.680 0.947 0.684 CB 1.094 39 residues pruned to eliminate duplicates Z: 22 14.774 1.889 0.479 0.396 0.952 0.571 CA 1.353 22 residues pruned to eliminate duplicates Z: 17 15.207 1.898 0.579 0.430 0.938 0.562 CB 1.455 17 residues pruned to eliminate duplicates Z: 7 2.366 1.327 0.346 0.397 1.000 0.333 N 0.603 Z: 18 10.350 1.655 0.781 0.467 0.824 0.471 CB 1.069 18 residues pruned to eliminate duplicates Z: 13 11.234 1.704 0.412 0.527 1.000 0.417 CB 1.313 13 residues pruned to eliminate duplicates Z: 14 11.212 1.657 0.508 0.888 0.846 0.308 CB 1.059 14 residues pruned to eliminate duplicates Z: 23 11.508 1.680 0.808 0.487 0.818 0.409 CB 1.000 19 residues pruned to eliminate duplicates Z: 19 19.210 1.727 0.871 0.867 0.944 0.556 CB 1.086 19 residues pruned to eliminate duplicates Z: 10 17.444 1.718 1.157 0.745 1.000 0.778 N 1.260 10 residues pruned to eliminate duplicates 6 1.540 1.221 0.478 0.291 0.600 0.400 CB 0.804 ? Z: 15 8.876 1.530 0.737 0.300 0.929 0.500 N 1.202 14 residues pruned to eliminate duplicates Z: 10 6.931 1.416 0.466 0.818 0.889 0.778 CB 0.949 10 residues pruned to eliminate duplicates Z: 6 5.035 1.806 0.575 0.456 0.800 0.600 CB 1.035 Z: 17 25.260 1.966 0.837 0.821 0.938 0.688 CA 1.412 19 residues pruned to eliminate duplicates Z: 17 11.252 1.772 0.472 0.603 0.875 0.438 CA 1.118 17 residues pruned to eliminate duplicates Z: 13 7.271 1.499 0.521 0.542 0.917 0.500 CB 0.965 13 residues pruned to eliminate duplicates Z: 32 25.722 1.848 0.759 0.704 1.000 0.581 CB 1.181 32 residues pruned to eliminate duplicates Z: 20 5.639 1.526 0.420 0.318 0.842 0.526 CB 0.867 20 residues pruned to eliminate duplicates Z: 6 2.915 1.769 0.300 0.540 1.000 0.600 CB 0.545 Z: 12 7.295 1.681 0.628 0.398 0.727 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 10 13.406 1.652 0.755 0.791 1.000 0.778 N 1.195 10 residues pruned to eliminate duplicates Z: 9 6.318 1.665 0.129 0.780 1.000 0.750 CB 0.928 9 residues pruned to eliminate duplicates Z: 35 18.830 2.019 0.554 0.348 0.912 0.647 CB 1.331 35 residues pruned to eliminate duplicates Z: 7 3.627 1.457 0.554 0.308 0.833 0.500 CB 0.971 Z: 29 28.270 1.959 0.733 0.749 0.964 0.750 CB 1.306 29 residues pruned to eliminate duplicates 7 1.764 1.305 0.555 0.249 0.667 0.333 N 0.711 ? Z: 28 14.129 1.866 0.223 0.516 0.852 0.630 CB 1.377 28 residues pruned to eliminate duplicates 8 1.801 1.394 0.051 0.470 0.857 0.571 CB 0.559 ? Z: 15 20.136 1.935 0.530 0.918 0.929 0.857 CB 1.382 15 residues pruned to eliminate duplicates Z: 6 2.258 1.528 0.041 0.600 0.800 0.400 O 0.721 Z: 8 3.657 1.386 0.420 0.575 0.714 0.571 CB 0.915 Z: 37 21.780 2.037 0.602 0.337 0.861 0.583 CA 1.543 37 residues pruned to eliminate duplicates Z: 11 3.815 1.452 -0.056 0.571 0.900 0.600 N 0.914 Z: 10 9.308 1.839 0.412 0.516 0.889 0.444 CB 1.323 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 10.070 1.795 0.404 0.440 0.789 0.421 CB 1.235 20 residues pruned to eliminate duplicates Z: 17 18.976 1.779 0.644 0.741 1.000 0.875 CB 1.307 13 residues pruned to eliminate duplicates Z: 14 12.139 1.647 0.610 0.866 1.000 0.846 CB 0.929 13 residues pruned to eliminate duplicates Z: 16 15.463 1.717 0.615 0.856 1.000 0.733 CB 1.062 16 residues pruned to eliminate duplicates Z: 14 12.474 1.694 0.529 0.860 0.923 0.769 CB 1.064 14 residues pruned to eliminate duplicates Z: 13 12.516 1.697 0.638 0.779 0.917 0.750 CB 1.108 13 residues pruned to eliminate duplicates Z: 27 12.066 1.825 0.421 0.404 0.808 0.577 CB 1.249 27 residues pruned to eliminate duplicates Z: 13 10.637 1.829 0.615 0.538 0.917 0.583 CB 1.093 13 residues pruned to eliminate duplicates Z: 21 16.036 1.893 0.754 0.486 0.850 0.600 CB 1.289 21 residues pruned to eliminate duplicates Z: 22 12.145 1.851 0.663 0.390 0.810 0.524 CB 1.194 22 residues pruned to eliminate duplicates Z: 21 15.404 1.816 0.674 0.527 0.900 0.700 CB 1.225 21 residues pruned to eliminate duplicates Z: 22 15.045 1.873 0.701 0.467 0.857 0.524 CB 1.244 22 residues pruned to eliminate duplicates Z: 15 15.769 1.886 0.955 0.498 0.929 0.643 CB 1.233 15 residues pruned to eliminate duplicates Z: 32 18.062 1.877 0.515 0.441 0.839 0.613 CB 1.446 32 residues pruned to eliminate duplicates Z: 12 16.665 1.879 1.002 0.531 0.909 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 15 15.607 1.922 0.852 0.519 0.857 0.643 CB 1.341 15 residues pruned to eliminate duplicates Z: 15 13.652 1.940 0.681 0.536 0.857 0.714 CB 1.260 15 residues pruned to eliminate duplicates Z: 21 14.606 1.894 0.614 0.431 0.850 0.500 CB 1.351 21 residues pruned to eliminate duplicates Z: 17 9.305 1.858 0.251 0.298 0.812 0.375 CB 1.542 17 residues pruned to eliminate duplicates Z: 17 11.333 1.858 0.343 0.346 0.875 0.375 O 1.533 17 residues pruned to eliminate duplicates Z: 21 14.647 1.892 0.658 0.441 0.850 0.550 CB 1.305 21 residues pruned to eliminate duplicates Z: 18 10.396 1.853 0.209 0.351 0.882 0.294 O 1.499 18 residues pruned to eliminate duplicates Z: 28 19.697 1.909 0.576 0.426 0.926 0.481 CB 1.470 28 residues pruned to eliminate duplicates Z: 18 7.920 1.805 0.192 0.267 0.824 0.294 CB 1.414 18 residues pruned to eliminate duplicates Z: 38 19.573 1.813 0.591 0.463 0.919 0.622 CB 1.260 38 residues pruned to eliminate duplicates Z: 19 14.845 1.920 0.393 0.441 0.944 0.333 CB 1.472 19 residues pruned to eliminate duplicates Z: 17 16.111 1.953 0.475 0.485 0.938 0.500 CB 1.515 17 residues pruned to eliminate duplicates Z: 18 12.563 1.884 0.466 0.397 0.824 0.588 CB 1.494 18 residues pruned to eliminate duplicates Z: 16 13.307 1.942 0.473 0.354 0.867 0.467 N 1.623 16 residues pruned to eliminate duplicates Z: 20 12.835 1.876 0.487 0.444 0.789 0.579 CB 1.417 20 residues pruned to eliminate duplicates Z: 34 18.211 1.861 0.494 0.317 0.939 0.576 N 1.486 58 residues pruned to eliminate duplicates Z: 17 14.582 1.917 0.599 0.385 0.812 0.625 CA 1.655 17 residues pruned to eliminate duplicates Z: 20 12.210 1.831 0.460 0.406 0.789 0.632 CB 1.464 20 residues pruned to eliminate duplicates Z: 20 14.057 1.867 0.455 0.398 0.895 0.526 CA 1.478 20 residues pruned to eliminate duplicates Z: 20 16.804 1.941 0.576 0.409 0.895 0.526 CB 1.549 20 residues pruned to eliminate duplicates Z: 36 20.024 1.838 0.581 0.451 0.914 0.571 CB 1.339 36 residues pruned to eliminate duplicates Z: 20 15.922 1.868 0.519 0.450 0.895 0.579 CB 1.515 20 residues pruned to eliminate duplicates Z: 14 22.705 1.790 1.151 0.887 0.923 0.615 CB 1.278 15 residues pruned to eliminate duplicates Z: 14 24.502 1.801 0.893 0.924 1.000 0.615 CB 1.400 14 residues pruned to eliminate duplicates Z: 14 21.973 1.824 0.841 0.917 1.000 0.769 CB 1.281 13 residues pruned to eliminate duplicates Z: 14 24.943 1.871 0.967 0.924 1.000 0.615 CB 1.320 14 residues pruned to eliminate duplicates Z: 15 20.644 1.762 0.871 0.855 0.929 0.571 CB 1.329 15 residues pruned to eliminate duplicates Z: 14 22.120 1.844 0.842 0.926 1.000 0.846 CB 1.267 14 residues pruned to eliminate duplicates Z: 13 24.016 1.856 1.172 0.921 0.917 0.333 CB 1.321 13 residues pruned to eliminate duplicates Z: 14 24.149 1.850 0.948 0.940 1.000 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 10 16.019 1.835 0.730 0.829 1.000 0.889 CA 1.266 10 residues pruned to eliminate duplicates Z: 8 10.818 1.825 0.339 0.840 1.000 1.000 CA 1.249 8 residues pruned to eliminate duplicates Z: 10 7.724 1.735 0.580 0.559 0.889 0.556 CA 0.997 10 residues pruned to eliminate duplicates Z: 18 15.461 1.801 0.668 0.514 0.882 0.529 CB 1.395 18 residues pruned to eliminate duplicates Z: 16 14.576 1.938 0.578 0.404 0.933 0.333 CB 1.458 16 residues pruned to eliminate duplicates Z: 12 11.225 1.768 0.770 0.635 0.818 0.727 CB 1.165 12 residues pruned to eliminate duplicates Z: 17 12.697 1.695 0.370 0.571 0.938 0.562 CB 1.361 17 residues pruned to eliminate duplicates Z: 16 13.581 1.900 0.635 0.507 0.800 0.600 CB 1.402 16 residues pruned to eliminate duplicates Z: 16 17.380 1.726 0.743 0.679 1.000 0.733 CA 1.265 16 residues pruned to eliminate duplicates Z: 15 22.633 1.805 0.840 0.922 1.000 0.714 CB 1.281 16 residues pruned to eliminate duplicates Z: 16 20.290 1.788 0.716 0.905 1.000 0.667 CB 1.215 16 residues pruned to eliminate duplicates Z: 15 20.579 1.817 0.742 0.748 1.000 0.643 CA 1.392 15 residues pruned to eliminate duplicates Z: 15 19.153 1.842 0.737 0.714 0.929 0.571 CA 1.420 15 residues pruned to eliminate duplicates Z: 15 14.562 1.742 0.680 0.729 0.929 0.786 CA 1.165 15 residues pruned to eliminate duplicates Z: 15 17.983 1.802 0.673 0.846 0.929 0.786 CA 1.275 15 residues pruned to eliminate duplicates Z: 13 19.842 1.826 0.645 0.891 1.000 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 14 18.106 1.785 0.815 0.751 0.923 0.692 CA 1.342 14 residues pruned to eliminate duplicates Z: 20 17.195 1.791 0.753 0.597 0.895 0.579 CB 1.280 20 residues pruned to eliminate duplicates Z: 29 20.297 1.847 0.498 0.606 0.929 0.607 CB 1.350 29 residues pruned to eliminate duplicates Z: 27 19.319 1.844 0.555 0.657 0.885 0.577 CB 1.291 27 residues pruned to eliminate duplicates Z: 14 11.357 1.902 0.245 0.557 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 21 14.470 1.771 0.704 0.523 0.800 0.600 CB 1.309 21 residues pruned to eliminate duplicates Z: 30 20.953 1.835 0.595 0.639 0.897 0.621 CB 1.303 30 residues pruned to eliminate duplicates Z: 16 10.543 1.841 0.361 0.526 1.000 0.733 CB 1.059 16 residues pruned to eliminate duplicates Z: 16 9.313 1.829 0.232 0.516 0.867 0.600 CB 1.212 16 residues pruned to eliminate duplicates Z: 16 12.458 1.875 0.437 0.562 1.000 0.600 CB 1.124 16 residues pruned to eliminate duplicates Z: 28 20.234 1.872 0.539 0.603 0.926 0.519 CB 1.323 28 residues pruned to eliminate duplicates Z: 28 20.507 1.801 0.635 0.626 0.926 0.481 CB 1.286 28 residues pruned to eliminate duplicates Z: 15 12.687 1.928 0.574 0.548 0.929 0.714 CB 1.149 15 residues pruned to eliminate duplicates Z: 27 20.091 1.807 0.720 0.609 0.923 0.538 CB 1.238 27 residues pruned to eliminate duplicates Z: 20 13.639 1.704 0.571 0.489 0.895 0.632 N 1.321 20 residues pruned to eliminate duplicates Z: 15 17.013 1.907 0.549 0.673 1.000 0.714 CB 1.312 15 residues pruned to eliminate duplicates Z: 42 24.614 1.887 0.507 0.596 0.902 0.634 CB 1.367 42 residues pruned to eliminate duplicates Z: 9 8.179 1.781 0.317 0.656 1.000 0.750 CB 1.066 9 residues pruned to eliminate duplicates Z: 13 7.800 1.697 0.320 0.434 0.833 0.667 CB 1.292 13 residues pruned to eliminate duplicates Z: 11 11.539 1.782 0.444 0.649 0.900 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 17 5.657 1.775 0.108 0.369 0.812 0.312 CB 1.018 17 residues pruned to eliminate duplicates Z: 11 13.958 1.814 0.715 0.715 0.900 0.600 CB 1.297 11 residues pruned to eliminate duplicates Z: 35 19.355 1.858 0.603 0.521 0.882 0.618 CB 1.236 35 residues pruned to eliminate duplicates Z: 19 11.147 1.806 0.438 0.472 0.833 0.556 CB 1.250 19 residues pruned to eliminate duplicates Z: 34 14.625 1.791 0.473 0.468 0.818 0.545 CB 1.218 34 residues pruned to eliminate duplicates Z: 21 9.014 1.649 0.327 0.434 0.800 0.450 CB 1.233 21 residues pruned to eliminate duplicates Z: 18 7.906 1.764 0.277 0.395 0.765 0.471 CB 1.243 18 residues pruned to eliminate duplicates Z: 17 5.615 1.750 0.178 0.315 0.750 0.250 CB 1.114 17 residues pruned to eliminate duplicates Z: 18 9.492 1.799 0.348 0.389 0.824 0.412 CB 1.297 18 residues pruned to eliminate duplicates Z: 8 3.747 1.694 0.111 0.323 0.857 0.429 CB 1.067 8 residues pruned to eliminate duplicates Z: 18 6.300 1.652 0.374 0.331 0.824 0.588 CB 0.983 26 residues pruned to eliminate duplicates Z: 21 19.819 1.926 0.711 0.655 0.900 0.650 CB 1.294 21 residues pruned to eliminate duplicates Z: 32 20.552 1.821 0.612 0.529 0.903 0.581 CB 1.353 32 residues pruned to eliminate duplicates Z: 45 25.188 1.902 0.548 0.631 0.932 0.727 CB 1.223 45 residues pruned to eliminate duplicates Z: 19 19.440 1.882 0.765 0.660 0.944 0.667 CB 1.260 19 residues pruned to eliminate duplicates Z: 14 21.527 1.933 0.868 0.802 0.923 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 19 18.655 1.870 0.819 0.704 0.944 0.722 CB 1.137 19 residues pruned to eliminate duplicates Z: 18 18.128 1.875 0.800 0.629 0.941 0.647 CB 1.226 18 residues pruned to eliminate duplicates Z: 16 19.540 1.947 0.624 0.669 0.933 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 16 20.726 1.932 0.760 0.655 0.933 0.600 CB 1.460 16 residues pruned to eliminate duplicates Z: 20 16.253 1.822 0.673 0.645 1.000 0.632 CB 1.068 20 residues pruned to eliminate duplicates Z: 61 30.851 1.842 0.749 0.611 0.900 0.500 CB 1.236 61 residues pruned to eliminate duplicates Z: 16 15.706 1.909 0.630 0.555 0.867 0.600 CB 1.424 16 residues pruned to eliminate duplicates Z: 48 19.587 1.819 0.553 0.452 0.915 0.596 CB 1.161 44 residues pruned to eliminate duplicates Z: 13 10.532 1.861 0.687 0.704 0.750 0.500 CB 1.072 13 residues pruned to eliminate duplicates Z: 35 18.731 1.851 0.544 0.604 0.912 0.559 CB 1.117 35 residues pruned to eliminate duplicates Z: 27 18.096 1.851 0.600 0.676 0.885 0.692 CB 1.151 27 residues pruned to eliminate duplicates Z: 27 23.350 1.875 0.546 0.733 1.000 0.692 CB 1.282 27 residues pruned to eliminate duplicates Z: 24 22.979 1.910 0.693 0.704 0.957 0.652 CB 1.287 24 residues pruned to eliminate duplicates Z: 16 17.017 1.967 0.793 0.740 0.867 0.667 CB 1.159 16 residues pruned to eliminate duplicates Z: 69 27.807 1.934 0.571 0.414 0.897 0.574 CB 1.353 69 residues pruned to eliminate duplicates Z: 32 20.955 1.905 0.539 0.619 0.871 0.742 CB 1.317 32 residues pruned to eliminate duplicates Z: 75 32.462 1.984 0.650 0.424 0.905 0.622 CB 1.377 75 residues pruned to eliminate duplicates Z: 33 21.935 1.887 0.550 0.644 0.969 0.688 CB 1.197 33 residues pruned to eliminate duplicates Z: 19 16.888 1.893 0.668 0.634 0.944 0.500 CB 1.177 19 residues pruned to eliminate duplicates Z: 24 24.614 1.899 0.682 0.770 1.000 0.783 CB 1.265 24 residues pruned to eliminate duplicates Z: 36 22.224 1.876 0.567 0.598 0.914 0.543 CB 1.273 36 residues pruned to eliminate duplicates Z: 35 22.712 1.870 0.656 0.589 0.912 0.618 CB 1.266 35 residues pruned to eliminate duplicates Z: 33 20.734 1.870 0.548 0.622 0.938 0.594 CB 1.203 33 residues pruned to eliminate duplicates Z: 30 16.091 1.851 0.603 0.398 0.862 0.552 CB 1.300 30 residues pruned to eliminate duplicates Z: 66 26.472 1.966 0.657 0.321 0.877 0.538 CB 1.400 66 residues pruned to eliminate duplicates Z: 31 19.339 1.870 0.710 0.525 0.833 0.533 CB 1.293 31 residues pruned to eliminate duplicates Z: 20 12.733 1.871 0.632 0.471 0.789 0.632 CB 1.248 20 residues pruned to eliminate duplicates Z: 19 15.463 1.857 0.448 0.463 0.944 0.500 CB 1.490 19 residues pruned to eliminate duplicates Z: 32 27.327 1.872 0.630 0.684 0.968 0.710 CB 1.404 32 residues pruned to eliminate duplicates Z: 33 15.031 1.783 0.489 0.508 0.844 0.500 CB 1.177 33 residues pruned to eliminate duplicates Z: 33 25.069 1.928 0.547 0.625 0.969 0.594 CB 1.363 33 residues pruned to eliminate duplicates Z: 40 19.310 1.817 0.543 0.481 0.846 0.564 CB 1.330 40 residues pruned to eliminate duplicates Z: 34 22.363 1.896 0.494 0.587 0.939 0.576 CB 1.346 34 residues pruned to eliminate duplicates Z: 23 12.348 1.906 0.462 0.348 0.909 0.545 CB 1.227 23 residues pruned to eliminate duplicates Z: 78 29.690 1.962 0.571 0.405 0.896 0.597 CB 1.355 78 residues pruned to eliminate duplicates Z: 51 20.966 2.023 0.483 0.330 0.880 0.460 CB 1.353 51 residues pruned to eliminate duplicates Z: 37 25.616 1.845 0.530 0.588 1.000 0.611 CB 1.390 37 residues pruned to eliminate duplicates Z: 51 21.236 2.010 0.538 0.313 0.860 0.560 CB 1.389 51 residues pruned to eliminate duplicates Z: 49 21.030 1.940 0.523 0.391 0.917 0.583 CB 1.257 49 residues pruned to eliminate duplicates Z: 42 22.410 1.914 0.589 0.491 0.902 0.561 CB 1.288 42 residues pruned to eliminate duplicates Z: 67 27.755 1.976 0.637 0.341 0.894 0.545 CB 1.406 67 residues pruned to eliminate duplicates Z: 47 22.403 2.016 0.548 0.333 0.913 0.543 CB 1.392 47 residues pruned to eliminate duplicates Z: 61 27.533 2.019 0.578 0.357 0.950 0.483 CB 1.371 61 residues pruned to eliminate duplicates Z: 37 24.863 2.108 0.675 0.369 0.917 0.611 CB 1.473 37 residues pruned to eliminate duplicates Z: 62 26.318 2.008 0.629 0.340 0.869 0.590 CB 1.412 62 residues pruned to eliminate duplicates Z: 62 24.477 2.021 0.569 0.343 0.836 0.525 CB 1.402 62 residues pruned to eliminate duplicates Z: 47 19.355 2.044 0.548 0.303 0.826 0.478 CB 1.360 47 residues pruned to eliminate duplicates Z: 35 16.971 1.980 0.566 0.241 0.853 0.412 CB 1.486 35 residues pruned to eliminate duplicates Z: 32 14.148 2.007 0.540 0.253 0.806 0.452 CB 1.353 32 residues pruned to eliminate duplicates Z: 37 24.786 2.038 0.641 0.379 0.889 0.528 CB 1.582 37 residues pruned to eliminate duplicates Z: 35 21.431 1.911 0.792 0.395 0.882 0.529 CB 1.360 35 residues pruned to eliminate duplicates Z: 34 15.144 2.016 0.475 0.257 0.848 0.485 CB 1.381 34 residues pruned to eliminate duplicates Z: 60 29.249 2.028 0.601 0.352 0.949 0.525 CB 1.450 60 residues pruned to eliminate duplicates Z: 60 26.948 2.027 0.647 0.331 0.881 0.458 CB 1.436 60 residues pruned to eliminate duplicates Z: 41 24.973 2.106 0.603 0.345 0.950 0.575 CB 1.457 41 residues pruned to eliminate duplicates Z: 51 22.893 1.989 0.635 0.322 0.840 0.560 CB 1.443 51 residues pruned to eliminate duplicates Z: 47 24.809 2.036 0.631 0.386 0.870 0.500 CB 1.430 47 residues pruned to eliminate duplicates Z: 69 28.294 2.000 0.668 0.386 0.897 0.515 CB 1.294 69 residues pruned to eliminate duplicates Z: 30 23.214 2.056 0.749 0.338 0.966 0.517 CB 1.481 30 residues pruned to eliminate duplicates Z: 38 19.900 1.960 0.704 0.303 0.838 0.432 CB 1.456 38 residues pruned to eliminate duplicates Z: 41 23.991 2.057 0.703 0.324 0.900 0.475 CB 1.460 41 residues pruned to eliminate duplicates Z: 38 27.527 2.108 0.757 0.368 0.892 0.595 CB 1.578 38 residues pruned to eliminate duplicates Z: 60 26.758 2.008 0.667 0.340 0.864 0.525 CB 1.432 60 residues pruned to eliminate duplicates Z: 75 32.585 1.987 0.632 0.432 0.878 0.500 CB 1.428 75 residues pruned to eliminate duplicates Z: 46 24.068 2.088 0.678 0.308 0.867 0.600 CB 1.462 46 residues pruned to eliminate duplicates Z: 40 24.068 2.060 0.631 0.383 0.923 0.564 CB 1.408 40 residues pruned to eliminate duplicates Z: 42 25.789 2.062 0.633 0.330 0.976 0.634 CB 1.476 42 residues pruned to eliminate duplicates Z: 60 31.195 2.034 0.723 0.378 0.932 0.610 CB 1.416 60 residues pruned to eliminate duplicates Z: 40 25.781 2.101 0.699 0.349 0.923 0.641 CB 1.476 40 residues pruned to eliminate duplicates Z: 38 22.030 2.070 0.720 0.281 0.838 0.541 CB 1.554 38 residues pruned to eliminate duplicates Z: 38 26.041 2.127 0.713 0.346 0.919 0.676 CB 1.512 38 residues pruned to eliminate duplicates Z: 65 29.946 2.052 0.693 0.358 0.891 0.625 CB 1.411 65 residues pruned to eliminate duplicates Z: 36 25.022 2.078 0.721 0.330 0.914 0.486 CA 1.559 36 residues pruned to eliminate duplicates Z: 36 19.776 2.046 0.694 0.355 0.829 0.629 CB 1.361 36 residues pruned to eliminate duplicates Z: 11 16.302 2.192 0.861 0.419 0.900 0.700 CA 1.528 11 residues pruned to eliminate duplicates Z: 12 12.745 2.045 0.738 0.340 0.818 0.636 CA 1.573 12 residues pruned to eliminate duplicates Z: 60 28.135 2.032 0.665 0.354 0.915 0.627 CB 1.385 60 residues pruned to eliminate duplicates Z: 13 15.359 2.086 0.601 0.390 1.000 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 46 22.811 2.043 0.562 0.334 0.933 0.622 CB 1.368 46 residues pruned to eliminate duplicates Z: 40 23.164 2.083 0.501 0.356 0.923 0.692 CB 1.501 40 residues pruned to eliminate duplicates Z: 11 3.208 1.723 0.331 0.192 0.600 0.200 CB 1.065 11 residues pruned to eliminate duplicates Z: 86 36.643 1.989 0.658 0.451 0.929 0.706 CB 1.363 86 residues pruned to eliminate duplicates Z: 77 29.787 1.992 0.661 0.357 0.895 0.579 CB 1.346 77 residues pruned to eliminate duplicates Z: 84 32.599 1.971 0.660 0.400 0.904 0.566 CB 1.345 84 residues pruned to eliminate duplicates Z: 9 12.553 2.033 0.980 0.384 0.875 0.500 CB 1.426 9 residues pruned to eliminate duplicates Z: 27 23.240 2.009 0.821 0.456 0.885 0.615 CA 1.474 27 residues pruned to eliminate duplicates Z: 9 14.821 1.982 1.109 0.502 0.875 0.500 CB 1.430 9 residues pruned to eliminate duplicates Z: 13 9.026 1.717 0.401 0.565 0.917 0.583 CB 1.110 13 residues pruned to eliminate duplicates Z: 11 5.140 1.749 -0.056 0.411 0.900 0.400 CB 1.200 11 residues pruned to eliminate duplicates Z: 12 9.950 1.658 0.417 0.599 0.909 0.727 N 1.278 12 residues pruned to eliminate duplicates Z: 8 2.464 1.530 0.261 0.298 0.571 0.429 CA 1.059 8 residues pruned to eliminate duplicates Z: 9 9.191 1.725 0.488 0.617 0.875 0.750 CA 1.294 9 residues pruned to eliminate duplicates Z: 12 10.484 1.754 0.574 0.623 0.909 0.636 CB 1.122 12 residues pruned to eliminate duplicates Z: 11 10.353 1.773 0.565 0.555 0.900 0.600 CB 1.243 11 residues pruned to eliminate duplicates Z: 9 8.700 1.735 0.703 0.635 0.750 0.500 CB 1.222 9 residues pruned to eliminate duplicates Z: 17 9.494 1.474 0.674 0.584 0.875 0.750 CB 1.014 17 residues pruned to eliminate duplicates Z: 12 15.927 1.764 0.786 0.725 0.909 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 33 13.218 1.761 0.471 0.393 0.844 0.562 CB 1.196 40 residues pruned to eliminate duplicates Z: 13 11.305 1.475 0.743 0.778 0.917 0.750 N 1.083 13 residues pruned to eliminate duplicates Z: 19 16.402 1.796 0.740 0.612 0.889 0.722 CB 1.251 19 residues pruned to eliminate duplicates Z: 28 14.501 1.682 0.591 0.456 0.815 0.593 CB 1.339 28 residues pruned to eliminate duplicates Z: 25 16.732 1.797 0.600 0.486 0.958 0.542 CB 1.257 25 residues pruned to eliminate duplicates Z: 10 15.779 1.736 0.751 0.832 1.000 0.556 CB 1.299 10 residues pruned to eliminate duplicates Z: 6 2.730 1.472 0.825 0.140 0.800 0.400 CA 0.887 6 residues pruned to eliminate duplicates Z: 11 7.836 1.851 0.451 0.272 0.800 0.500 N 1.494 11 residues pruned to eliminate duplicates Z: 8 5.011 1.965 -0.066 0.273 0.857 0.714 CA 1.557 8 residues pruned to eliminate duplicates Z: 10 11.383 2.004 0.440 0.545 0.889 0.556 CB 1.415 10 residues pruned to eliminate duplicates Z: 9 7.765 1.994 0.402 0.374 0.750 0.625 CB 1.497 9 residues pruned to eliminate duplicates Z: 6 4.420 1.571 -0.029 0.666 1.000 0.800 CA 1.112 6 residues pruned to eliminate duplicates Z: 16 8.867 1.780 0.348 0.456 0.867 0.467 CB 1.151 16 residues pruned to eliminate duplicates Z: 36 22.153 1.797 0.480 0.676 0.943 0.743 CB 1.270 36 residues pruned to eliminate duplicates Z: 33 24.044 1.860 0.645 0.697 0.938 0.656 CB 1.237 33 residues pruned to eliminate duplicates Z: 34 23.150 1.832 0.534 0.705 0.939 0.636 CB 1.267 34 residues pruned to eliminate duplicates Z: 30 22.796 1.904 0.526 0.667 1.000 0.655 CB 1.248 30 residues pruned to eliminate duplicates Z: 33 24.839 1.851 0.611 0.721 1.000 0.594 CB 1.206 33 residues pruned to eliminate duplicates Z: 32 21.434 1.861 0.594 0.702 0.903 0.581 CB 1.195 32 residues pruned to eliminate duplicates Z: 31 21.120 1.801 0.525 0.644 0.967 0.800 CB 1.270 31 residues pruned to eliminate duplicates Z: 32 26.051 1.858 0.701 0.709 1.000 0.645 CB 1.224 32 residues pruned to eliminate duplicates Z: 31 24.531 1.856 0.675 0.711 0.967 0.600 CB 1.230 31 residues pruned to eliminate duplicates Z: 29 22.744 1.825 0.591 0.695 0.929 0.536 CB 1.334 29 residues pruned to eliminate duplicates Z: 30 21.478 1.863 0.502 0.684 0.966 0.724 CB 1.247 30 residues pruned to eliminate duplicates Z: 28 21.923 1.888 0.456 0.698 0.926 0.778 CB 1.383 28 residues pruned to eliminate duplicates Z: 34 25.916 1.841 0.654 0.695 0.970 0.788 CB 1.279 34 residues pruned to eliminate duplicates Z: 57 26.280 1.787 0.576 0.642 0.929 0.643 CB 1.176 57 residues pruned to eliminate duplicates Z: 30 26.290 1.897 0.550 0.716 0.966 0.793 CB 1.414 30 residues pruned to eliminate duplicates Z: 30 26.985 1.870 0.656 0.741 0.966 0.793 CB 1.350 30 residues pruned to eliminate duplicates Z: 37 20.711 1.791 0.580 0.674 0.889 0.722 CB 1.169 37 residues pruned to eliminate duplicates Z: 39 17.860 1.784 0.371 0.598 0.868 0.789 CB 1.242 51 residues pruned to eliminate duplicates Z: 18 20.644 1.849 0.710 0.874 1.000 0.882 CB 1.152 18 residues pruned to eliminate duplicates Z: 23 21.041 1.952 0.551 0.692 0.864 0.727 CB 1.440 23 residues pruned to eliminate duplicates Z: 34 23.617 1.853 0.530 0.705 0.939 0.788 CB 1.281 34 residues pruned to eliminate duplicates Z: 30 24.566 1.882 0.593 0.699 0.966 0.862 CB 1.315 30 residues pruned to eliminate duplicates Z: 28 20.568 1.910 0.421 0.640 0.926 0.815 CB 1.381 28 residues pruned to eliminate duplicates Z: 33 20.684 1.840 0.355 0.650 0.969 0.844 CB 1.316 33 residues pruned to eliminate duplicates Z: 24 24.258 1.945 0.602 0.623 0.957 0.783 CB 1.511 24 residues pruned to eliminate duplicates Z: 35 22.545 1.811 0.563 0.666 0.912 0.676 CB 1.284 35 residues pruned to eliminate duplicates Z: 52 28.067 1.804 0.679 0.622 0.922 0.608 CB 1.256 52 residues pruned to eliminate duplicates Z: 31 29.112 1.893 0.737 0.724 0.967 0.733 CB 1.366 31 residues pruned to eliminate duplicates Z: 34 28.014 1.854 0.681 0.718 1.000 0.758 CB 1.285 34 residues pruned to eliminate duplicates Z: 32 24.078 1.844 0.643 0.682 0.935 0.710 CB 1.291 32 residues pruned to eliminate duplicates Z: 34 20.852 1.839 0.472 0.598 0.909 0.636 CB 1.343 46 residues pruned to eliminate duplicates Z: 18 23.145 1.933 0.670 0.813 1.000 0.647 CA 1.323 18 residues pruned to eliminate duplicates Z: 41 16.516 1.749 0.421 0.526 0.850 0.675 CB 1.205 41 residues pruned to eliminate duplicates Z: 25 20.997 1.869 0.555 0.684 0.958 0.750 CA 1.300 25 residues pruned to eliminate duplicates Z: 36 19.232 1.805 0.320 0.620 0.971 0.657 CB 1.255 36 residues pruned to eliminate duplicates Z: 22 25.036 1.962 0.509 0.758 1.000 0.714 CB 1.467 22 residues pruned to eliminate duplicates Z: 24 22.481 1.927 0.458 0.735 0.957 0.652 CB 1.412 24 residues pruned to eliminate duplicates Z: 32 18.724 1.859 0.398 0.610 0.968 0.581 CB 1.205 34 residues pruned to eliminate duplicates Z: 19 22.209 1.839 0.616 0.897 0.889 0.778 CA 1.419 19 residues pruned to eliminate duplicates Z: 17 24.659 1.863 0.727 0.870 1.000 0.562 CA 1.398 17 residues pruned to eliminate duplicates Z: 36 21.890 1.844 0.522 0.599 0.943 0.657 CB 1.272 35 residues pruned to eliminate duplicates Z: 13 20.838 2.014 0.615 0.881 0.917 0.833 CB 1.461 13 residues pruned to eliminate duplicates Z: 27 24.936 1.919 0.438 0.766 1.000 0.808 CA 1.400 27 residues pruned to eliminate duplicates Z: 15 12.125 1.875 0.439 0.609 0.929 0.714 CB 1.166 15 residues pruned to eliminate duplicates Z: 33 20.394 1.842 0.393 0.593 0.938 0.719 CB 1.370 33 residues pruned to eliminate duplicates Z: 28 21.973 1.901 0.415 0.710 0.963 0.630 CA 1.350 28 residues pruned to eliminate duplicates Z: 13 13.023 1.816 0.390 0.710 0.917 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 24 11.371 1.780 0.289 0.464 0.913 0.696 CB 1.174 24 residues pruned to eliminate duplicates Z: 13 13.566 1.925 0.349 0.714 1.000 0.917 CB 1.242 13 residues pruned to eliminate duplicates Z: 75 25.860 1.931 0.497 0.403 0.905 0.514 CB 1.271 75 residues pruned to eliminate duplicates Z: 34 19.160 1.837 0.406 0.575 0.879 0.606 CB 1.367 34 residues pruned to eliminate duplicates Z: 26 22.827 1.915 0.508 0.767 0.960 0.760 CA 1.299 26 residues pruned to eliminate duplicates Z: 34 19.788 1.837 0.490 0.601 0.909 0.727 CB 1.256 34 residues pruned to eliminate duplicates Z: 36 22.030 1.831 0.458 0.583 0.971 0.657 CB 1.326 36 residues pruned to eliminate duplicates Z: 39 21.906 1.848 0.431 0.562 0.974 0.579 CB 1.299 38 residues pruned to eliminate duplicates Z: 10 10.916 1.693 0.496 0.642 1.000 0.556 CB 1.258 10 residues pruned to eliminate duplicates Z: 33 19.453 1.844 0.379 0.607 0.906 0.688 CB 1.348 33 residues pruned to eliminate duplicates Z: 23 13.035 1.793 0.494 0.525 0.864 0.500 CB 1.173 23 residues pruned to eliminate duplicates Z: 62 23.139 1.940 0.537 0.390 0.902 0.508 CB 1.238 62 residues pruned to eliminate duplicates Z: 51 16.421 1.902 0.529 0.294 0.840 0.480 CB 1.198 51 residues pruned to eliminate duplicates Z: 71 23.069 1.918 0.359 0.391 0.914 0.543 CB 1.299 71 residues pruned to eliminate duplicates Z: 36 17.126 1.795 0.452 0.535 0.886 0.543 CB 1.211 36 residues pruned to eliminate duplicates Z: 11 2.499 1.590 0.319 0.201 0.600 0.200 CB 0.896 11 residues pruned to eliminate duplicates Z: 42 16.743 1.979 0.393 0.322 0.902 0.537 CB 1.280 42 residues pruned to eliminate duplicates Z: 44 16.867 1.887 0.664 0.285 0.814 0.605 CB 1.282 44 residues pruned to eliminate duplicates Z: 46 13.683 1.898 0.421 0.259 0.778 0.489 CB 1.280 46 residues pruned to eliminate duplicates Z: 43 19.418 1.967 0.630 0.330 0.881 0.500 CB 1.278 43 residues pruned to eliminate duplicates Z: 42 15.300 1.939 0.437 0.311 0.780 0.512 CB 1.355 42 residues pruned to eliminate duplicates Z: 40 18.939 2.011 0.481 0.330 0.897 0.564 CB 1.367 40 residues pruned to eliminate duplicates Z: 51 21.021 1.979 0.581 0.377 0.900 0.520 CB 1.203 51 residues pruned to eliminate duplicates Z: 48 19.866 1.952 0.498 0.378 0.872 0.532 CB 1.293 112 residues pruned to eliminate duplicates Z: 7 4.429 1.618 0.584 0.355 0.667 0.333 N 1.237 7 residues pruned to eliminate duplicates Z: 12 12.015 2.016 0.671 0.387 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 17 10.729 1.945 0.653 0.382 0.750 0.562 CB 1.261 17 residues pruned to eliminate duplicates Z: 40 19.418 2.045 0.450 0.350 0.897 0.564 CB 1.376 40 residues pruned to eliminate duplicates Z: 41 22.738 1.991 0.561 0.390 0.925 0.575 CB 1.405 41 residues pruned to eliminate duplicates Z: 25 16.748 2.059 0.615 0.357 0.875 0.542 CB 1.372 25 residues pruned to eliminate duplicates Z: 35 21.439 2.045 0.661 0.369 0.912 0.559 CB 1.366 35 residues pruned to eliminate duplicates Z: 39 24.246 2.074 0.701 0.377 0.895 0.553 CB 1.420 39 residues pruned to eliminate duplicates Z: 39 24.329 2.047 0.680 0.351 0.921 0.605 CB 1.463 39 residues pruned to eliminate duplicates Z: 31 20.770 1.987 0.684 0.325 0.933 0.533 CB 1.472 31 residues pruned to eliminate duplicates Z: 37 17.196 1.973 0.435 0.335 0.861 0.583 CB 1.407 37 residues pruned to eliminate duplicates Z: 33 18.668 2.045 0.611 0.398 0.844 0.500 CB 1.322 33 residues pruned to eliminate duplicates Z: 35 20.927 2.009 0.593 0.381 0.882 0.647 CB 1.443 35 residues pruned to eliminate duplicates Z: 44 20.380 2.024 0.547 0.358 0.907 0.558 CB 1.275 44 residues pruned to eliminate duplicates Z: 36 22.197 2.072 0.684 0.342 0.886 0.486 CB 1.443 36 residues pruned to eliminate duplicates Z: 37 22.241 2.081 0.654 0.355 0.917 0.694 CB 1.374 37 residues pruned to eliminate duplicates Z: 36 23.599 2.067 0.620 0.372 0.943 0.714 CB 1.449 36 residues pruned to eliminate duplicates Z: 27 13.890 1.976 0.590 0.299 0.846 0.538 CB 1.282 27 residues pruned to eliminate duplicates Z: 32 18.042 1.985 0.735 0.329 0.806 0.516 CB 1.407 32 residues pruned to eliminate duplicates Z: 26 16.889 2.121 0.717 0.308 0.840 0.560 CB 1.366 26 residues pruned to eliminate duplicates Z: 38 19.299 1.971 0.681 0.349 0.919 0.595 CB 1.228 38 residues pruned to eliminate duplicates Z: 37 22.747 2.048 0.640 0.334 0.944 0.556 CB 1.432 37 residues pruned to eliminate duplicates Z: 45 23.220 1.995 0.565 0.410 0.932 0.568 CB 1.323 45 residues pruned to eliminate duplicates Z: 37 21.783 2.049 0.556 0.364 0.889 0.583 CB 1.481 37 residues pruned to eliminate duplicates Z: 46 18.158 1.959 0.629 0.323 0.867 0.489 CB 1.190 46 residues pruned to eliminate duplicates Z: 32 17.234 2.023 0.641 0.260 0.871 0.484 CB 1.408 32 residues pruned to eliminate duplicates Z: 16 12.033 1.809 0.838 0.315 0.933 0.667 CB 1.229 16 residues pruned to eliminate duplicates Z: 37 19.547 2.086 0.688 0.278 0.861 0.583 CB 1.381 37 residues pruned to eliminate duplicates Z: 37 21.273 2.077 0.540 0.342 0.917 0.667 CB 1.436 37 residues pruned to eliminate duplicates Z: 36 25.932 2.095 0.661 0.398 0.971 0.714 CB 1.444 36 residues pruned to eliminate duplicates Z: 46 23.229 1.985 0.641 0.375 0.911 0.578 CB 1.333 46 residues pruned to eliminate duplicates Z: 13 7.678 1.851 0.489 0.443 0.833 0.583 CA 1.024 13 residues pruned to eliminate duplicates Z: 51 23.418 1.927 0.605 0.411 0.880 0.580 CB 1.336 51 residues pruned to eliminate duplicates Z: 46 22.493 2.034 0.595 0.369 0.889 0.622 CB 1.338 46 residues pruned to eliminate duplicates Z: 55 22.292 1.934 0.578 0.358 0.907 0.556 CB 1.278 55 residues pruned to eliminate duplicates Z: 22 11.496 1.891 0.480 0.383 0.857 0.571 CB 1.184 22 residues pruned to eliminate duplicates Z: 10 7.752 1.801 0.562 0.372 0.889 0.333 CB 1.185 10 residues pruned to eliminate duplicates Z: 11 8.463 1.601 0.677 0.472 1.000 0.500 CB 1.026 11 residues pruned to eliminate duplicates Z: 10 9.521 1.742 0.718 0.411 0.889 0.444 CB 1.310 10 residues pruned to eliminate duplicates Z: 47 23.847 1.973 0.699 0.343 0.913 0.565 CB 1.363 47 residues pruned to eliminate duplicates Z: 47 18.611 1.957 0.568 0.340 0.826 0.478 CB 1.289 47 residues pruned to eliminate duplicates Z: 10 8.624 1.719 0.560 0.290 1.000 0.444 N 1.356 10 residues pruned to eliminate duplicates Z: 12 8.146 1.672 0.733 0.241 0.909 0.273 N 1.258 12 residues pruned to eliminate duplicates Z: 7 2.997 1.353 0.312 0.422 0.833 0.667 N 0.897 7 residues pruned to eliminate duplicates Z: 7 4.808 1.487 0.938 0.772 0.833 0.833 CB 0.642 8 residues pruned to eliminate duplicates Z: 12 10.021 1.693 0.701 0.618 0.818 0.818 CB 1.147 12 residues pruned to eliminate duplicates Z: 26 12.533 1.871 0.284 0.493 0.920 0.600 CB 1.142 26 residues pruned to eliminate duplicates Z: 12 9.155 1.803 0.490 0.539 0.909 0.818 CB 1.087 12 residues pruned to eliminate duplicates Z: 26 10.926 1.742 0.429 0.488 0.840 0.640 CB 1.058 26 residues pruned to eliminate duplicates Z: 23 7.620 1.844 0.198 0.433 0.682 0.409 CB 1.156 23 residues pruned to eliminate duplicates Z: 30 11.121 1.718 0.385 0.459 0.862 0.483 CB 1.049 30 residues pruned to eliminate duplicates Z: 15 14.263 1.903 0.456 0.541 1.000 0.643 CB 1.322 15 residues pruned to eliminate duplicates Z: 26 11.042 1.898 0.334 0.374 0.800 0.520 CB 1.247 26 residues pruned to eliminate duplicates Z: 50 13.483 1.810 0.363 0.378 0.878 0.551 CB 1.013 50 residues pruned to eliminate duplicates Z: 25 14.239 1.935 0.414 0.424 0.958 0.583 CB 1.200 25 residues pruned to eliminate duplicates Z: 26 16.063 1.952 0.415 0.453 0.960 0.640 CB 1.272 26 residues pruned to eliminate duplicates Z: 17 14.542 1.983 0.446 0.556 0.938 0.688 CB 1.281 17 residues pruned to eliminate duplicates Z: 18 14.128 1.929 0.612 0.508 0.882 0.529 CB 1.239 18 residues pruned to eliminate duplicates Z: 16 13.310 1.862 0.602 0.436 0.867 0.533 CA 1.421 16 residues pruned to eliminate duplicates Z: 15 14.231 1.955 0.588 0.471 0.929 0.500 CB 1.359 15 residues pruned to eliminate duplicates Z: 19 12.620 1.899 0.544 0.483 0.889 0.611 CB 1.162 19 residues pruned to eliminate duplicates Z: 21 8.058 1.734 0.139 0.415 0.800 0.500 CB 1.246 Z: 6 3.976 1.577 0.525 0.473 0.800 0.400 CA 0.950 Z: 7 5.685 1.578 0.698 0.549 0.833 0.667 CA 0.991 6 residues pruned to eliminate duplicates Z: 14 23.979 1.955 0.691 0.908 1.000 0.923 CB 1.429 14 residues pruned to eliminate duplicates Z: 14 26.187 1.951 0.910 0.924 1.000 0.846 CB 1.369 14 residues pruned to eliminate duplicates Z: 13 18.898 1.970 0.898 0.835 0.917 0.833 CB 1.192 13 residues pruned to eliminate duplicates Z: 13 19.969 1.966 1.007 0.831 0.917 0.667 CB 1.198 13 residues pruned to eliminate duplicates Z: 12 26.609 2.106 0.956 0.902 1.000 0.545 CB 1.389 12 residues pruned to eliminate duplicates Z: 17 17.896 1.811 0.877 0.669 0.875 0.625 CA 1.286 17 residues pruned to eliminate duplicates Z: 13 18.806 1.947 0.909 0.828 0.917 0.667 CB 1.200 13 residues pruned to eliminate duplicates Z: 20 19.811 1.868 0.973 0.624 0.895 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 15 20.270 1.884 0.899 0.727 0.929 0.643 CB 1.330 15 residues pruned to eliminate duplicates Z: 13 18.872 1.923 1.017 0.838 0.917 0.750 CB 1.145 13 residues pruned to eliminate duplicates Z: 14 19.588 1.956 0.916 0.777 0.923 0.538 CB 1.230 14 residues pruned to eliminate duplicates Z: 13 24.189 2.046 1.011 0.895 0.917 0.583 CB 1.326 13 residues pruned to eliminate duplicates Z: 14 12.304 1.697 0.317 0.746 1.000 0.923 CB 1.225 12 residues pruned to eliminate duplicates Z: 14 13.481 1.754 0.465 0.882 1.000 0.692 CB 1.052 14 residues pruned to eliminate duplicates Z: 14 14.143 1.739 0.534 0.696 1.000 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 12 12.013 1.823 0.364 0.812 1.000 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 13 13.923 1.812 0.527 0.762 1.000 0.917 CB 1.151 13 residues pruned to eliminate duplicates Z: 22 12.735 1.693 0.515 0.588 0.905 0.667 CB 1.101 28 residues pruned to eliminate duplicates Z: 12 12.541 1.744 0.656 0.864 0.909 0.636 CB 1.056 12 residues pruned to eliminate duplicates Z: 15 12.670 1.650 0.699 0.763 0.857 0.857 N 1.116 15 residues pruned to eliminate duplicates Z: 13 17.214 1.808 0.768 0.769 1.000 0.917 CB 1.225 13 residues pruned to eliminate duplicates Z: 34 23.885 1.721 0.801 0.653 0.939 0.697 CB 1.239 41 residues pruned to eliminate duplicates Z: 14 16.891 1.778 0.797 0.934 1.000 0.846 CB 1.022 14 residues pruned to eliminate duplicates Z: 25 17.162 1.792 0.667 0.568 0.917 0.583 CB 1.198 25 residues pruned to eliminate duplicates Z: 45 23.301 1.749 0.792 0.565 0.886 0.477 CB 1.187 126 residues pruned to eliminate duplicates Z: 16 13.707 1.742 0.893 0.830 0.933 0.667 CB 0.865 Z: 18 9.159 1.572 0.998 0.742 0.941 0.706 CB 0.605 15 residues pruned to eliminate duplicates Z: 7 3.969 1.388 0.836 0.256 0.833 0.667 N 1.009 Z: 6 4.344 1.587 0.810 0.408 0.800 0.400 O 0.932 6 residues pruned to eliminate duplicates Z: 6 3.092 1.488 0.518 0.475 0.800 0.400 N 0.785 Z: 34 17.124 1.737 0.811 0.512 0.909 0.606 CB 1.030 31 residues pruned to eliminate duplicates Z: 6 3.436 1.596 0.511 0.268 0.800 0.400 CB 1.037 6 residues pruned to eliminate duplicates Z: 8 10.940 1.793 0.788 0.411 1.000 0.571 CB 1.416 8 residues pruned to eliminate duplicates Z: 66 28.346 1.794 0.676 0.530 0.938 0.569 CB 1.210 35 residues pruned to eliminate duplicates Z: 6 3.202 1.533 0.140 0.427 1.000 0.800 CA 0.883 6 residues pruned to eliminate duplicates Z: 7 2.287 1.543 0.480 0.282 0.833 0.500 CB 0.627 5 residues pruned to eliminate duplicates Z: 6 2.992 1.532 0.388 0.432 1.000 1.000 CA 0.675 6 residues pruned to eliminate duplicates Z: 31 18.889 1.879 0.464 0.530 0.933 0.667 CA 1.304 31 residues pruned to eliminate duplicates Z: 28 16.940 1.864 0.397 0.506 0.963 0.741 CB 1.293 29 residues pruned to eliminate duplicates Z: 6 4.115 1.614 0.297 0.296 1.000 0.400 CB 1.104 6 residues pruned to eliminate duplicates Z: 26 14.982 1.890 0.268 0.546 1.000 0.760 CA 1.195 26 residues pruned to eliminate duplicates Z: 27 17.876 1.915 0.426 0.598 1.000 0.769 CA 1.169 27 residues pruned to eliminate duplicates Z: 31 18.629 1.852 0.476 0.580 1.000 0.800 CB 1.151 31 residues pruned to eliminate duplicates Z: 24 20.513 1.940 0.572 0.581 1.000 0.826 CB 1.297 25 residues pruned to eliminate duplicates Z: 9 4.724 1.533 0.389 0.650 1.000 0.750 CB 0.682 9 residues pruned to eliminate duplicates Z: 25 17.681 1.876 0.571 0.509 0.917 0.583 CA 1.324 25 residues pruned to eliminate duplicates Z: 27 17.474 1.907 0.477 0.516 0.962 0.769 CA 1.245 27 residues pruned to eliminate duplicates Z: 26 19.300 1.898 0.552 0.571 0.960 0.760 CA 1.274 26 residues pruned to eliminate duplicates Z: 26 20.641 1.931 0.488 0.572 1.000 0.680 CB 1.340 26 residues pruned to eliminate duplicates Z: 13 14.850 1.942 0.358 0.754 1.000 0.833 CB 1.296 13 residues pruned to eliminate duplicates Z: 40 24.245 1.889 0.517 0.567 0.923 0.769 CB 1.375 111 residues pruned to eliminate duplicates Z: 28 16.004 1.860 0.437 0.555 0.889 0.704 CB 1.229 Z: 20 19.733 1.777 0.401 0.876 1.000 0.789 CA 1.321 10 residues pruned to eliminate duplicates Z: 19 20.285 1.774 0.619 0.879 0.944 0.833 CB 1.278 19 residues pruned to eliminate duplicates Z: 12 13.909 1.737 0.525 0.765 1.000 0.636 CB 1.252 12 residues pruned to eliminate duplicates Z: 26 19.494 1.915 0.549 0.544 0.920 0.640 CA 1.368 28 residues pruned to eliminate duplicates Z: 19 22.940 1.820 0.559 0.887 1.000 0.889 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 17.810 1.800 0.329 0.895 0.944 0.778 CA 1.332 19 residues pruned to eliminate duplicates Z: 30 20.145 1.882 0.566 0.630 0.931 0.690 CA 1.207 30 residues pruned to eliminate duplicates Z: 20 16.999 1.743 0.442 0.835 0.947 0.842 CA 1.226 20 residues pruned to eliminate duplicates Z: 41 20.236 1.788 0.611 0.527 0.875 0.650 CB 1.236 34 residues pruned to eliminate duplicates Z: 20 18.648 1.770 0.431 0.846 1.000 0.737 CB 1.254 20 residues pruned to eliminate duplicates Z: 43 23.684 1.843 0.616 0.555 0.952 0.667 CB 1.221 43 residues pruned to eliminate duplicates Z: 37 21.958 1.837 0.573 0.613 0.917 0.750 CA 1.241 37 residues pruned to eliminate duplicates Z: 42 24.213 1.838 0.577 0.577 0.976 0.732 CB 1.242 42 residues pruned to eliminate duplicates Z: 43 22.713 1.827 0.534 0.580 0.952 0.738 CB 1.215 43 residues pruned to eliminate duplicates Z: 14 6.028 1.651 0.340 0.308 0.846 0.385 CB 1.105 7 residues pruned to eliminate duplicates Z: 23 19.618 1.715 0.707 0.810 0.955 0.591 CB 1.143 26 residues pruned to eliminate duplicates Z: 22 19.184 1.782 0.615 0.801 0.905 0.714 CB 1.235 22 residues pruned to eliminate duplicates Z: 48 24.514 1.790 0.685 0.561 0.915 0.617 CB 1.221 47 residues pruned to eliminate duplicates Z: 6 5.962 1.654 0.472 0.426 1.000 0.400 CB 1.183 6 residues pruned to eliminate duplicates Z: 86 34.426 1.794 0.635 0.600 0.918 0.624 CB 1.261 86 residues pruned to eliminate duplicates Z: 49 28.654 1.801 0.667 0.630 1.000 0.562 CB 1.219 49 residues pruned to eliminate duplicates Z: 14 14.129 1.816 0.474 0.517 1.000 0.538 N 1.439 14 residues pruned to eliminate duplicates Z: 51 27.750 1.800 0.734 0.620 0.920 0.520 CB 1.221 51 residues pruned to eliminate duplicates Z: 13 16.910 1.863 0.486 0.613 1.000 0.667 CB 1.583 13 residues pruned to eliminate duplicates Z: 14 10.546 1.786 0.188 0.484 1.000 0.385 N 1.401 14 residues pruned to eliminate duplicates Z: 20 15.836 1.758 0.527 0.502 0.947 0.632 CA 1.426 20 residues pruned to eliminate duplicates Z: 37 16.396 1.705 0.411 0.468 0.861 0.639 N 1.363 37 residues pruned to eliminate duplicates Z: 18 12.391 1.766 0.310 0.494 0.941 0.529 N 1.389 18 residues pruned to eliminate duplicates Z: 17 18.723 1.943 0.653 0.557 0.938 0.750 CB 1.470 17 residues pruned to eliminate duplicates Z: 16 24.500 1.990 0.774 0.700 0.933 0.667 CA 1.599 16 residues pruned to eliminate duplicates Z: 20 19.558 1.820 0.700 0.665 0.895 0.842 N 1.391 20 residues pruned to eliminate duplicates Z: 12 21.432 1.943 0.812 0.677 1.000 0.909 N 1.560 12 residues pruned to eliminate duplicates Z: 11 19.377 1.858 0.758 0.700 1.000 0.800 N 1.563 11 residues pruned to eliminate duplicates Z: 17 22.284 1.894 0.879 0.629 0.938 0.562 N 1.480 17 residues pruned to eliminate duplicates Z: 60 30.748 1.844 0.662 0.590 0.898 0.627 CB 1.334 60 residues pruned to eliminate duplicates Z: 16 17.499 1.758 0.869 0.596 0.867 0.800 CA 1.447 16 residues pruned to eliminate duplicates Z: 16 16.630 1.882 0.890 0.549 0.867 0.600 CA 1.329 16 residues pruned to eliminate duplicates Z: 13 18.370 1.823 0.851 0.721 1.000 0.667 N 1.286 13 residues pruned to eliminate duplicates Z: 30 24.519 1.852 0.718 0.577 0.931 0.517 CB 1.427 30 residues pruned to eliminate duplicates Z: 23 22.027 1.834 0.701 0.655 0.909 0.682 N 1.434 23 residues pruned to eliminate duplicates Z: 21 24.517 1.933 0.892 0.667 0.900 0.600 CB 1.426 21 residues pruned to eliminate duplicates Z: 26 24.460 1.906 0.669 0.617 0.920 0.680 CB 1.497 26 residues pruned to eliminate duplicates Z: 23 15.933 1.773 0.776 0.697 0.909 0.636 CB 0.991 23 residues pruned to eliminate duplicates Z: 24 26.769 1.909 0.786 0.677 0.957 0.696 CB 1.454 24 residues pruned to eliminate duplicates Z: 23 14.707 1.768 0.492 0.598 0.818 0.636 CB 1.323 23 residues pruned to eliminate duplicates Z: 25 23.763 1.859 0.833 0.556 0.917 0.583 N 1.471 25 residues pruned to eliminate duplicates Z: 11 11.049 1.788 0.693 0.567 1.000 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 9 18.602 1.910 1.178 0.741 1.000 0.750 CB 1.273 Z: 9 7.661 1.758 0.495 0.452 0.875 0.500 CB 1.237 9 residues pruned to eliminate duplicates Z: 9 8.336 1.781 0.715 0.419 0.875 0.500 CB 1.199 9 residues pruned to eliminate duplicates Z: 10 6.495 1.682 0.617 0.454 0.778 0.556 CB 1.074 9 residues pruned to eliminate duplicates Z: 6 3.678 1.710 0.193 0.294 1.000 0.800 CA 1.016 6 residues pruned to eliminate duplicates Z: 9 6.141 1.750 0.340 0.418 0.875 0.500 CB 1.152 10 residues pruned to eliminate duplicates Z: 6 3.642 1.492 0.284 0.424 0.800 0.400 O 1.150 6 residues pruned to eliminate duplicates Z: 17 12.197 1.752 0.510 0.437 0.938 0.562 CB 1.313 17 residues pruned to eliminate duplicates Z: 7 7.612 1.582 0.689 0.565 1.000 0.333 CB 1.092 7 residues pruned to eliminate duplicates Z: 18 11.042 1.702 0.461 0.424 0.882 0.529 CB 1.321 18 residues pruned to eliminate duplicates Z: 17 10.169 1.734 0.469 0.470 0.938 0.438 CB 1.098 22 residues pruned to eliminate duplicates Z: 6 3.138 1.294 0.671 0.401 0.800 0.600 CB 0.900 Z: 6 4.589 1.731 0.369 0.294 1.000 0.400 CA 1.091 Z: 7 6.193 1.464 0.511 0.494 1.000 0.833 O 1.149 Z: 6 6.183 1.718 0.425 0.617 0.800 0.600 N 1.265 6 residues pruned to eliminate duplicates Z: 7 5.422 1.860 0.505 0.389 0.667 0.167 CB 1.335 3 residues pruned to eliminate duplicates Z: 12 16.674 1.817 0.694 0.650 1.000 0.455 CB 1.421 5 residues pruned to eliminate duplicates Z: 11 12.083 1.529 0.642 0.845 1.000 0.600 CA 1.131 11 residues pruned to eliminate duplicates Z: 16 20.319 1.926 0.826 0.582 0.933 0.600 CB 1.478 17 residues pruned to eliminate duplicates Z: 7 11.367 1.685 0.874 0.763 1.000 0.500 CA 1.163 7 residues pruned to eliminate duplicates Z: 28 17.361 1.820 0.580 0.396 0.889 0.481 N 1.460 23 residues pruned to eliminate duplicates Z: 9 15.554 1.674 0.871 0.827 1.000 0.625 CB 1.323 9 residues pruned to eliminate duplicates Z: 9 16.063 1.628 1.123 0.877 1.000 0.625 CB 1.193 8 residues pruned to eliminate duplicates Z: 11 7.328 1.246 0.765 0.803 0.800 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 19 7.426 1.576 0.571 0.450 0.833 0.222 CB 0.893 26 residues pruned to eliminate duplicates Z: 10 8.572 1.412 0.637 0.761 1.000 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 21 9.001 1.624 0.401 0.503 0.850 0.350 CB 1.038 21 residues pruned to eliminate duplicates Z: 22 11.403 1.697 0.424 0.448 0.905 0.667 CB 1.201 22 residues pruned to eliminate duplicates Z: 20 13.806 1.699 0.545 0.508 0.947 0.474 CB 1.264 20 residues pruned to eliminate duplicates Z: 25 10.787 1.689 0.537 0.437 0.833 0.458 CB 1.086 24 residues pruned to eliminate duplicates Z: 7 3.719 1.167 0.379 0.634 0.833 0.333 N 0.998 Z: 6 3.845 1.609 0.577 0.286 0.800 0.200 CB 1.078 9 residues pruned to eliminate duplicates Z: 6 4.444 1.760 0.424 0.331 0.800 0.600 CB 1.193 Z: 6 2.446 1.388 0.168 0.296 0.800 0.600 CA 1.060 Z: 6 3.516 1.670 0.481 0.253 1.000 0.600 CA 0.844 6 residues pruned to eliminate duplicates Z: 49 31.984 2.003 0.609 0.531 0.938 0.708 CB 1.482 61 residues pruned to eliminate duplicates Z: 53 26.858 1.952 0.497 0.520 0.904 0.692 CB 1.383 53 residues pruned to eliminate duplicates Z: 51 29.794 1.966 0.481 0.573 0.940 0.720 CB 1.434 51 residues pruned to eliminate duplicates Z: 53 28.186 1.947 0.536 0.526 0.923 0.654 CB 1.380 53 residues pruned to eliminate duplicates Z: 46 30.393 2.000 0.474 0.584 0.956 0.822 CB 1.485 46 residues pruned to eliminate duplicates Z: 47 32.898 2.031 0.591 0.568 0.957 0.739 CB 1.469 51 residues pruned to eliminate duplicates Z: 7 8.621 1.735 0.379 0.882 1.000 1.000 CB 1.064 7 residues pruned to eliminate duplicates Z: 33 19.973 1.945 0.407 0.603 0.875 0.781 CB 1.337 33 residues pruned to eliminate duplicates Z: 36 27.208 1.963 0.457 0.653 0.971 0.800 CB 1.436 36 residues pruned to eliminate duplicates Z: 28 22.140 1.946 0.495 0.694 0.926 0.741 CB 1.325 28 residues pruned to eliminate duplicates Z: 36 28.920 1.991 0.653 0.614 0.971 0.686 CB 1.372 36 residues pruned to eliminate duplicates Z: 43 32.881 2.005 0.651 0.575 0.976 0.714 CB 1.462 43 residues pruned to eliminate duplicates Z: 53 32.443 1.975 0.642 0.535 0.962 0.712 CB 1.393 53 residues pruned to eliminate duplicates Z: 46 34.587 2.011 0.641 0.585 0.978 0.778 CB 1.473 46 residues pruned to eliminate duplicates Z: 38 27.304 1.981 0.664 0.565 0.946 0.622 CB 1.351 38 residues pruned to eliminate duplicates Z: 37 31.568 1.991 0.661 0.649 0.972 0.722 CB 1.424 37 residues pruned to eliminate duplicates Z: 33 26.913 1.992 0.669 0.621 0.906 0.656 CB 1.409 33 residues pruned to eliminate duplicates Z: 48 30.179 1.974 0.594 0.551 0.957 0.638 CB 1.390 48 residues pruned to eliminate duplicates Z: 37 28.757 1.967 0.626 0.627 0.972 0.639 CB 1.368 37 residues pruned to eliminate duplicates Z: 59 31.964 1.942 0.616 0.543 0.931 0.724 CB 1.378 59 residues pruned to eliminate duplicates Z: 47 35.007 2.006 0.658 0.592 0.957 0.739 CB 1.485 47 residues pruned to eliminate duplicates Z: 47 35.934 2.007 0.653 0.607 0.978 0.826 CB 1.474 47 residues pruned to eliminate duplicates Z: 52 34.751 1.994 0.709 0.549 0.941 0.667 CB 1.446 52 residues pruned to eliminate duplicates Z: 21 30.254 1.939 0.818 0.868 1.000 0.550 CA 1.403 21 residues pruned to eliminate duplicates Z: 34 29.149 2.011 0.667 0.618 0.970 0.697 CB 1.396 34 residues pruned to eliminate duplicates Z: 46 33.520 1.988 0.631 0.590 0.978 0.711 CB 1.447 46 residues pruned to eliminate duplicates Z: 39 27.849 1.959 0.573 0.623 0.947 0.632 CB 1.378 39 residues pruned to eliminate duplicates Z: 48 30.355 1.999 0.565 0.550 0.936 0.681 CB 1.440 48 residues pruned to eliminate duplicates Z: 48 28.179 1.915 0.567 0.529 0.915 0.638 CB 1.455 48 residues pruned to eliminate duplicates Z: 37 30.609 1.990 0.630 0.643 0.972 0.778 CB 1.416 37 residues pruned to eliminate duplicates Z: 52 29.509 1.963 0.609 0.524 0.922 0.608 CB 1.386 52 residues pruned to eliminate duplicates Z: 47 35.993 1.978 0.734 0.595 0.978 0.696 CB 1.444 47 residues pruned to eliminate duplicates Z: 68 34.325 1.919 0.682 0.490 0.910 0.552 CB 1.442 60 residues pruned to eliminate duplicates Z: 6 5.612 1.762 0.314 0.304 1.000 0.400 CB 1.349 6 residues pruned to eliminate duplicates Z: 33 28.703 1.992 0.709 0.639 0.938 0.656 CB 1.396 33 residues pruned to eliminate duplicates Z: 38 27.220 1.996 0.633 0.582 0.919 0.811 CB 1.381 38 residues pruned to eliminate duplicates Z: 38 29.745 2.000 0.679 0.586 0.973 0.541 CB 1.378 38 residues pruned to eliminate duplicates Z: 37 31.882 1.988 0.635 0.622 0.972 0.611 CB 1.498 37 residues pruned to eliminate duplicates Z: 53 32.932 1.980 0.664 0.548 0.942 0.596 CB 1.403 53 residues pruned to eliminate duplicates Z: 8 12.337 1.729 0.947 0.596 1.000 0.571 CB 1.264 8 residues pruned to eliminate duplicates Z: 19 14.652 1.801 0.569 0.537 0.889 0.556 N 1.326 19 residues pruned to eliminate duplicates Z: 21 15.101 1.886 0.735 0.426 0.800 0.500 N 1.392 21 residues pruned to eliminate duplicates Z: 66 38.445 1.959 0.701 0.569 0.908 0.538 CB 1.476 66 residues pruned to eliminate duplicates Z: 25 25.386 1.927 0.784 0.559 0.917 0.583 N 1.552 25 residues pruned to eliminate duplicates Z: 28 25.536 1.889 0.922 0.562 0.852 0.444 N 1.497 28 residues pruned to eliminate duplicates Z: 28 26.747 1.929 0.796 0.590 0.889 0.630 CA 1.533 29 residues pruned to eliminate duplicates 6 1.797 1.434 0.667 0.278 0.400 0.400 CA 1.080 ? Z: 6 3.510 1.508 0.275 0.385 0.800 0.400 N 1.154 Z: 6 5.448 1.989 0.784 0.116 0.800 0.200 CA 1.393 6 residues pruned to eliminate duplicates Z: 27 19.015 1.867 0.814 0.480 0.808 0.500 CB 1.391 33 residues pruned to eliminate duplicates Z: 26 23.616 1.920 0.861 0.477 0.880 0.520 N 1.538 26 residues pruned to eliminate duplicates Z: 19 20.926 1.949 0.838 0.787 0.944 0.778 CB 1.133 19 residues pruned to eliminate duplicates Z: 6 2.250 1.270 1.063 0.283 0.600 0.600 CA 0.817 6 residues pruned to eliminate duplicates Z: 38 25.231 1.897 0.755 0.559 0.892 0.649 CB 1.318 38 residues pruned to eliminate duplicates Z: 23 16.562 1.857 0.634 0.629 0.955 0.773 CB 1.080 23 residues pruned to eliminate duplicates Z: 20 20.455 1.948 0.642 0.709 1.000 0.684 CB 1.213 20 residues pruned to eliminate duplicates Z: 11 13.218 1.977 0.519 0.741 1.000 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 20 15.934 1.957 0.654 0.606 0.842 0.684 CB 1.213 20 residues pruned to eliminate duplicates Z: 18 21.083 1.997 0.702 0.775 1.000 0.706 CB 1.180 18 residues pruned to eliminate duplicates Z: 11 14.408 1.977 0.452 0.648 1.000 0.800 CB 1.383 11 residues pruned to eliminate duplicates Z: 7 3.803 1.436 0.670 0.428 0.667 0.667 O 1.046 7 residues pruned to eliminate duplicates Z: 24 15.407 1.890 0.534 0.599 0.913 0.565 CB 1.104 24 residues pruned to eliminate duplicates Z: 19 20.063 1.942 0.729 0.740 1.000 0.722 CB 1.135 19 residues pruned to eliminate duplicates Z: 12 13.556 1.933 0.731 0.685 0.909 0.727 CB 1.133 12 residues pruned to eliminate duplicates Z: 23 17.647 1.915 0.618 0.576 0.909 0.500 CB 1.241 23 residues pruned to eliminate duplicates Z: 23 16.054 1.886 0.563 0.619 0.909 0.682 CB 1.142 23 residues pruned to eliminate duplicates Z: 20 16.661 1.872 0.735 0.688 0.947 0.737 CB 1.046 20 residues pruned to eliminate duplicates Z: 39 24.080 1.870 0.625 0.673 0.947 0.658 CB 1.157 39 residues pruned to eliminate duplicates Z: 6 6.301 1.458 0.629 0.481 1.000 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 37 24.365 1.865 0.741 0.652 0.972 0.778 CB 1.116 38 residues pruned to eliminate duplicates Z: 6 8.650 1.708 0.762 0.460 1.000 0.400 CA 1.338 6 residues pruned to eliminate duplicates Z: 29 31.653 1.983 0.818 0.760 1.000 0.857 CB 1.316 29 residues pruned to eliminate duplicates Z: 33 25.648 1.964 0.536 0.716 0.969 0.844 CB 1.275 33 residues pruned to eliminate duplicates Z: 34 25.096 1.907 0.589 0.670 0.970 0.667 CB 1.271 34 residues pruned to eliminate duplicates Z: 7 5.914 1.541 0.740 0.568 1.000 0.500 CA 0.843 7 residues pruned to eliminate duplicates Z: 35 22.122 1.879 0.582 0.696 0.941 0.853 CB 1.134 35 residues pruned to eliminate duplicates Z: 39 25.400 1.851 0.613 0.693 0.974 0.711 CB 1.187 39 residues pruned to eliminate duplicates Z: 37 23.491 1.888 0.506 0.701 0.972 0.806 CB 1.180 37 residues pruned to eliminate duplicates Z: 32 26.548 1.947 0.548 0.749 1.000 0.774 CB 1.266 32 residues pruned to eliminate duplicates Z: 32 27.172 1.981 0.623 0.740 1.000 0.871 CB 1.225 32 residues pruned to eliminate duplicates Z: 33 27.444 1.974 0.536 0.732 1.000 0.781 CB 1.299 33 residues pruned to eliminate duplicates Z: 33 26.029 1.955 0.527 0.706 0.969 0.812 CB 1.318 33 residues pruned to eliminate duplicates Z: 36 24.690 1.893 0.603 0.685 0.971 0.771 CB 1.194 36 residues pruned to eliminate duplicates Z: 38 26.613 1.881 0.720 0.688 0.973 0.676 CB 1.170 37 residues pruned to eliminate duplicates Z: 17 19.613 2.009 0.625 0.880 1.000 0.812 CB 1.088 17 residues pruned to eliminate duplicates Z: 32 29.195 1.978 0.670 0.747 1.000 0.871 CB 1.272 32 residues pruned to eliminate duplicates Z: 33 29.475 1.976 0.760 0.729 0.969 0.844 CB 1.259 33 residues pruned to eliminate duplicates Z: 29 29.694 2.015 0.675 0.751 1.000 0.964 CB 1.329 29 residues pruned to eliminate duplicates Z: 34 26.010 1.941 0.639 0.707 0.970 0.788 CB 1.216 34 residues pruned to eliminate duplicates Z: 33 26.553 1.942 0.756 0.703 0.969 0.719 CB 1.181 33 residues pruned to eliminate duplicates Z: 31 29.853 1.982 0.754 0.712 0.967 0.633 CB 1.338 31 residues pruned to eliminate duplicates Z: 32 27.723 1.967 0.666 0.738 0.968 0.742 CB 1.268 32 residues pruned to eliminate duplicates 703 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 6 D: 8 E: 6 F: 13 G: 40 H: 14 I: 63 J: 101 K: 22 L: 6 M: 21 N: 7 O: 14 P: 18 Q: 12 R: 6 S: 23 T: 42 U: 144 V: 123 CC for partial structure against native data = 38.45 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.499, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.569, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.679, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.690, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.693, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.694, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.695, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.695, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3254 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 780 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 37 22.596 1.913 0.446 0.628 0.972 0.694 CA 1.241 B: 44 28.392 2.029 0.482 0.549 0.953 0.698 CB 1.439 C: 47 31.599 2.009 0.478 0.588 0.978 0.739 CB 1.474 44 residues pruned to eliminate duplicates D: 9 18.176 2.143 0.766 0.808 0.875 0.875 CA 1.484 E: 14 22.297 1.952 0.622 0.893 1.000 0.692 CB 1.401 F: 35 24.837 1.892 0.562 0.693 0.971 0.706 CB 1.245 G: 28 22.166 1.901 0.608 0.652 0.889 0.481 CB 1.363 H: 52 25.868 1.956 0.411 0.527 0.902 0.686 CB 1.416 52 residues pruned to eliminate duplicates I: 20 17.285 1.747 0.687 0.567 0.895 0.632 N 1.410 J: 17 20.531 1.838 0.344 0.930 1.000 1.000 CB 1.454 K: 16 18.220 1.762 0.468 0.908 1.000 0.800 CA 1.292 15 residues pruned to eliminate duplicates L: 12 15.427 1.919 0.321 0.905 0.909 0.636 CA 1.436 M: 33 29.720 1.994 0.570 0.637 1.000 0.875 CB 1.477 33 residues pruned to eliminate duplicates N: 8 15.601 1.837 0.892 0.895 1.000 0.571 CA 1.216 O: 14 22.212 1.956 0.868 0.928 0.923 0.769 CB 1.280 14 residues pruned to eliminate duplicates P: 15 14.052 1.822 0.495 0.638 0.857 0.643 CB 1.414 16 residues pruned to eliminate duplicates Q: 8 3.646 1.541 0.311 0.429 0.857 0.571 CB 0.857 7 1.187 1.742 -0.317 0.262 0.667 0.500 CB 0.802 ? R: 13 22.378 1.996 0.789 0.909 0.917 0.667 CA 1.401 13 residues pruned to eliminate duplicates S: 13 18.484 2.014 0.499 0.843 0.917 0.750 CA 1.436 13 residues pruned to eliminate duplicates T: 36 22.231 2.044 0.636 0.374 0.914 0.629 CB 1.407 U: 6 6.022 1.634 1.026 0.831 1.000 0.400 CA 0.611 V: 16 14.954 1.958 1.011 0.924 1.000 0.867 CB 0.689 16 residues pruned to eliminate duplicates W: 17 21.832 1.980 0.695 0.855 0.938 0.812 CB 1.280 11 residues pruned to eliminate duplicates X: 10 9.192 1.887 0.579 0.481 0.889 0.444 CB 1.179 Y: 28 17.014 1.959 0.652 0.345 0.926 0.556 CB 1.294 8 residues pruned to eliminate duplicates Z: 19 10.694 1.932 0.580 0.362 0.889 0.667 CB 1.078 19 residues pruned to eliminate duplicates Z: 16 20.674 1.919 0.599 0.898 1.000 0.733 CB 1.244 16 residues pruned to eliminate duplicates Z: 14 24.034 1.870 0.843 0.915 1.000 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 29 25.336 1.967 0.456 0.600 1.000 0.714 CB 1.520 30 residues pruned to eliminate duplicates Z: 21 32.204 1.938 0.811 0.880 1.000 0.650 CA 1.486 21 residues pruned to eliminate duplicates Z: 15 12.179 1.687 0.471 0.846 0.929 0.714 CB 1.049 Z: 20 16.503 1.817 0.294 0.853 0.947 0.895 CA 1.256 20 residues pruned to eliminate duplicates Z: 10 17.499 1.800 0.988 0.639 1.000 0.556 N 1.431 Z: 19 19.940 1.835 0.558 0.868 0.944 0.722 CB 1.273 20 residues pruned to eliminate duplicates Z: 15 13.336 1.832 0.651 0.630 0.857 0.643 CB 1.217 Z: 15 17.778 1.802 0.526 0.916 0.929 0.643 CA 1.314 15 residues pruned to eliminate duplicates Z: 12 21.097 1.948 0.555 0.897 1.000 0.818 CB 1.503 12 residues pruned to eliminate duplicates Z: 7 8.812 1.575 0.280 0.819 1.000 0.500 CA 1.353 Z: 12 19.551 1.871 0.890 0.748 0.909 0.818 CB 1.469 13 residues pruned to eliminate duplicates Z: 34 22.339 2.109 0.657 0.367 0.939 0.636 CB 1.365 33 residues pruned to eliminate duplicates Z: 19 25.648 1.896 0.889 0.806 0.944 0.611 CB 1.369 17 residues pruned to eliminate duplicates Z: 45 20.085 2.011 0.609 0.315 0.841 0.545 CB 1.366 28 residues pruned to eliminate duplicates Z: 16 29.144 1.957 0.927 0.882 1.000 0.600 CA 1.444 16 residues pruned to eliminate duplicates Z: 10 9.407 1.710 0.494 0.474 0.889 0.556 N 1.418 Z: 23 27.310 1.931 0.738 0.802 0.955 0.727 CA 1.396 23 residues pruned to eliminate duplicates Z: 14 15.896 1.748 0.499 0.763 1.000 0.615 CB 1.333 14 residues pruned to eliminate duplicates Z: 9 13.322 1.879 0.696 0.882 0.875 0.875 CB 1.223 9 residues pruned to eliminate duplicates Z: 16 20.291 1.929 0.460 0.942 1.000 1.000 CB 1.290 17 residues pruned to eliminate duplicates Z: 20 19.773 1.824 0.380 0.856 1.000 0.737 CB 1.328 20 residues pruned to eliminate duplicates Z: 21 32.069 1.903 0.898 0.872 1.000 0.600 CB 1.446 21 residues pruned to eliminate duplicates Z: 12 12.784 1.693 0.406 0.755 1.000 0.818 CB 1.291 10 residues pruned to eliminate duplicates Z: 41 27.238 2.020 0.369 0.591 0.975 0.775 CB 1.464 41 residues pruned to eliminate duplicates Z: 11 15.817 1.902 0.515 0.706 0.900 0.800 N 1.600 11 residues pruned to eliminate duplicates Z: 25 13.792 1.811 0.521 0.504 0.917 0.417 CB 1.110 8 residues pruned to eliminate duplicates Z: 20 32.839 2.013 0.801 0.898 1.000 0.895 CA 1.487 20 residues pruned to eliminate duplicates Z: 24 17.218 1.846 0.426 0.488 0.957 0.565 CB 1.443 Z: 14 15.580 1.625 1.155 0.734 1.000 0.923 CB 1.000 Z: 10 7.120 1.762 0.230 0.862 1.000 0.667 CB 0.804 10 residues pruned to eliminate duplicates Z: 11 12.756 1.955 0.909 0.607 0.900 0.600 N 1.084 Z: 24 16.811 2.034 0.547 0.413 0.913 0.478 CB 1.337 24 residues pruned to eliminate duplicates Z: 16 9.714 1.859 0.187 0.476 0.933 0.467 CB 1.248 16 residues pruned to eliminate duplicates Z: 49 32.893 1.997 0.618 0.558 0.958 0.729 CB 1.449 48 residues pruned to eliminate duplicates Z: 19 20.031 1.949 0.339 0.674 1.000 0.667 CB 1.540 14 residues pruned to eliminate duplicates Z: 7 4.949 1.578 0.347 0.746 0.833 0.667 CB 0.916 7 residues pruned to eliminate duplicates Z: 10 16.878 1.834 0.603 0.901 1.000 1.000 CB 1.365 15 residues pruned to eliminate duplicates Z: 15 17.846 1.926 0.616 0.659 0.929 0.714 CB 1.424 Z: 6 5.068 1.496 0.402 0.769 1.000 1.000 CA 0.851 6 residues pruned to eliminate duplicates Z: 8 7.101 1.702 0.612 0.685 0.857 0.857 CB 0.963 Z: 6 8.628 1.556 0.778 0.781 1.000 0.800 CA 1.088 4 residues pruned to eliminate duplicates Z: 14 21.918 1.943 0.730 0.885 0.923 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 14 8.311 1.703 0.585 0.363 0.769 0.615 CA 1.287 Z: 42 31.976 2.034 0.539 0.610 0.951 0.780 CB 1.511 42 residues pruned to eliminate duplicates Z: 18 11.616 1.795 0.444 0.424 0.824 0.235 CB 1.429 Z: 9 14.529 1.921 0.657 0.784 0.875 0.625 CA 1.437 9 residues pruned to eliminate duplicates Z: 20 29.232 2.029 0.617 0.888 1.000 0.842 CA 1.473 20 residues pruned to eliminate duplicates Z: 10 5.370 1.707 0.493 0.453 0.778 0.444 CB 0.948 Z: 8 10.556 1.795 0.505 0.753 1.000 0.571 CA 1.179 8 residues pruned to eliminate duplicates Z: 16 21.735 1.945 0.509 0.929 1.000 1.000 CB 1.338 16 residues pruned to eliminate duplicates Z: 20 26.790 2.001 0.637 0.878 0.947 0.789 CA 1.438 20 residues pruned to eliminate duplicates Z: 12 19.634 1.925 0.817 0.812 1.000 0.636 CA 1.290 12 residues pruned to eliminate duplicates Z: 15 9.704 1.778 0.350 0.520 0.929 0.571 CB 1.141 9 residues pruned to eliminate duplicates Z: 9 9.001 1.771 0.389 0.788 0.875 0.750 CB 1.148 8 residues pruned to eliminate duplicates Z: 8 13.615 1.818 0.730 0.860 1.000 0.714 CB 1.203 8 residues pruned to eliminate duplicates Z: 20 26.507 1.946 0.643 0.883 0.947 0.737 CB 1.452 20 residues pruned to eliminate duplicates Z: 21 12.033 1.702 0.376 0.684 0.900 0.600 CB 1.078 Z: 10 12.587 2.110 0.413 0.471 1.000 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 38 19.582 1.875 0.502 0.440 0.892 0.676 CB 1.363 38 residues pruned to eliminate duplicates Z: 36 16.970 2.034 0.390 0.344 0.857 0.657 CB 1.402 36 residues pruned to eliminate duplicates Z: 7 5.442 1.383 0.672 0.746 1.000 0.500 N 0.771 7 residues pruned to eliminate duplicates Z: 20 23.279 1.956 0.479 0.891 1.000 0.947 CA 1.327 20 residues pruned to eliminate duplicates Z: 20 11.168 1.844 0.424 0.391 0.789 0.579 CB 1.388 Z: 10 15.557 1.817 0.965 0.834 0.889 0.444 CB 1.225 7 residues pruned to eliminate duplicates Z: 25 20.676 1.882 0.818 0.646 0.833 0.542 CB 1.292 25 residues pruned to eliminate duplicates Z: 8 6.439 1.819 0.139 0.555 0.857 0.429 CB 1.299 Z: 16 21.842 1.931 0.515 0.931 1.000 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 14 18.128 1.898 0.514 0.880 1.000 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 13 5.569 1.774 0.133 0.381 0.750 0.417 CB 1.211 12 residues pruned to eliminate duplicates Z: 14 9.115 1.733 0.583 0.384 0.923 0.385 CB 1.129 9 residues pruned to eliminate duplicates Z: 28 22.132 1.860 0.626 0.645 0.852 0.593 N 1.444 19 residues pruned to eliminate duplicates Z: 18 30.181 2.013 0.787 0.872 1.000 0.765 CA 1.484 17 residues pruned to eliminate duplicates Z: 16 24.602 2.083 0.757 0.880 0.933 0.600 CB 1.347 16 residues pruned to eliminate duplicates Z: 52 25.807 2.075 0.623 0.329 0.902 0.608 CB 1.436 51 residues pruned to eliminate duplicates Z: 16 11.278 1.880 0.869 0.878 0.933 0.667 CB 0.644 16 residues pruned to eliminate duplicates Z: 6 4.812 1.739 0.786 0.294 1.000 0.600 CB 0.872 Z: 17 22.113 1.877 0.764 0.841 0.938 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 6 5.572 2.016 0.299 0.448 0.600 0.400 CB 1.673 5 residues pruned to eliminate duplicates Z: 11 11.676 1.741 0.661 0.858 1.000 1.000 CB 0.940 Z: 17 18.005 1.855 0.359 0.914 1.000 1.000 CB 1.263 16 residues pruned to eliminate duplicates Z: 17 18.189 1.789 0.406 0.883 1.000 0.812 CB 1.308 17 residues pruned to eliminate duplicates Z: 17 11.381 1.877 0.439 0.417 0.875 0.562 CB 1.314 17 residues pruned to eliminate duplicates Z: 6 4.270 1.784 0.022 0.438 1.000 0.800 N 1.117 6 residues pruned to eliminate duplicates Z: 15 13.506 1.771 0.415 0.748 0.929 0.643 CA 1.243 15 residues pruned to eliminate duplicates Z: 20 14.955 1.960 0.516 0.710 0.842 0.684 CB 1.133 10 residues pruned to eliminate duplicates Z: 23 12.003 1.692 0.474 0.482 0.864 0.500 CB 1.210 Z: 11 8.323 1.824 0.588 0.430 0.800 0.500 CB 1.221 Z: 27 19.397 1.887 0.493 0.659 0.885 0.692 CB 1.317 27 residues pruned to eliminate duplicates Z: 13 6.510 1.619 0.388 0.404 0.833 0.667 N 1.110 10 residues pruned to eliminate duplicates Z: 11 12.973 1.932 0.508 0.549 0.900 0.600 CA 1.491 11 residues pruned to eliminate duplicates Z: 19 15.131 1.854 0.835 0.443 0.778 0.556 N 1.429 11 residues pruned to eliminate duplicates Z: 6 10.150 1.847 0.636 0.872 1.000 1.000 CB 1.095 6 residues pruned to eliminate duplicates Z: 7 4.622 1.594 0.548 0.718 1.000 0.667 CB 0.628 7 residues pruned to eliminate duplicates Z: 7 4.345 1.453 0.258 0.686 0.833 0.667 CA 0.982 7 residues pruned to eliminate duplicates Z: 7 5.366 1.948 0.333 0.580 0.667 0.667 CB 1.171 Z: 13 15.131 2.065 0.893 0.422 0.833 0.583 CA 1.455 13 residues pruned to eliminate duplicates Z: 9 5.292 1.675 -0.054 0.412 0.875 0.625 CA 1.480 6 residues pruned to eliminate duplicates Z: 8 8.915 1.649 0.380 0.849 1.000 0.714 CB 1.097 Z: 10 6.406 1.377 0.332 0.746 1.000 0.778 CA 0.935 7 residues pruned to eliminate duplicates Z: 15 9.003 1.870 0.260 0.346 0.786 0.286 N 1.536 15 residues pruned to eliminate duplicates Z: 16 19.552 1.899 0.657 0.917 0.933 0.933 CB 1.214 16 residues pruned to eliminate duplicates Z: 16 21.106 1.908 0.445 0.944 1.000 0.933 CB 1.368 16 residues pruned to eliminate duplicates Z: 16 18.878 1.993 0.912 0.932 1.000 0.867 CB 0.894 22 residues pruned to eliminate duplicates Z: 19 23.300 2.025 0.338 0.896 1.000 0.944 CA 1.452 19 residues pruned to eliminate duplicates Z: 6 8.716 1.783 0.108 0.796 1.000 1.000 CA 1.522 6 residues pruned to eliminate duplicates Z: 10 11.066 1.622 0.634 0.791 1.000 0.778 CA 1.078 Z: 12 21.152 1.855 0.760 0.868 1.000 1.000 CB 1.428 Z: 11 7.303 1.914 0.131 0.558 1.000 0.600 CB 1.008 11 residues pruned to eliminate duplicates Z: 11 19.894 1.997 0.779 0.808 0.900 0.700 CB 1.504 11 residues pruned to eliminate duplicates Z: 18 27.567 1.988 0.604 0.911 1.000 0.882 CA 1.487 18 residues pruned to eliminate duplicates Z: 17 15.024 1.689 0.448 0.884 0.938 0.750 CB 1.183 8 residues pruned to eliminate duplicates Z: 13 13.123 1.816 0.435 0.569 1.000 0.500 CB 1.359 Z: 15 23.563 1.877 0.705 0.912 1.000 0.714 CA 1.394 15 residues pruned to eliminate duplicates Z: 6 3.454 1.473 0.108 0.488 0.800 0.600 O 1.197 Z: 22 13.120 1.865 0.400 0.499 0.810 0.667 CB 1.356 22 residues pruned to eliminate duplicates Z: 28 16.559 2.008 0.434 0.390 0.926 0.444 CB 1.343 28 residues pruned to eliminate duplicates Z: 27 18.315 2.105 0.664 0.378 0.846 0.654 CB 1.380 27 residues pruned to eliminate duplicates Z: 35 27.310 1.871 0.659 0.665 0.971 0.559 CB 1.334 34 residues pruned to eliminate duplicates Z: 8 6.942 1.587 0.608 0.445 1.000 0.571 CB 1.088 Z: 16 21.575 1.919 0.700 0.918 1.000 0.933 CB 1.204 17 residues pruned to eliminate duplicates Z: 15 21.226 1.797 0.705 0.931 1.000 1.000 CA 1.293 15 residues pruned to eliminate duplicates Z: 18 11.161 1.620 0.299 0.820 0.882 0.529 CB 1.104 18 residues pruned to eliminate duplicates Z: 6 5.486 1.714 0.662 0.778 0.600 0.400 CB 1.124 Z: 14 17.927 1.838 0.578 0.911 1.000 1.000 CA 1.215 14 residues pruned to eliminate duplicates Z: 10 9.773 1.812 0.916 0.494 0.778 0.444 CB 1.214 10 residues pruned to eliminate duplicates Z: 13 22.973 2.004 0.613 0.932 1.000 0.833 CA 1.433 13 residues pruned to eliminate duplicates Z: 7 13.712 1.858 0.637 0.872 1.000 1.000 CB 1.342 7 residues pruned to eliminate duplicates Z: 14 17.735 1.909 0.824 0.887 0.769 0.308 CB 1.323 14 residues pruned to eliminate duplicates Z: 17 17.377 1.757 0.782 0.687 0.938 0.625 CB 1.248 13 residues pruned to eliminate duplicates Z: 10 10.848 1.883 0.756 0.704 1.000 0.889 CB 0.908 Z: 13 23.405 2.015 0.812 0.915 0.917 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 9 5.796 1.643 0.641 0.289 0.750 0.375 CB 1.283 Z: 14 11.326 1.773 0.300 0.574 0.923 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 52 24.776 1.782 0.699 0.516 0.902 0.608 CB 1.251 37 residues pruned to eliminate duplicates Z: 9 15.785 1.724 0.683 0.896 1.000 0.750 CB 1.378 Z: 29 23.112 1.824 0.550 0.692 1.000 0.821 CB 1.295 25 residues pruned to eliminate duplicates Z: 15 22.496 1.875 0.710 0.897 1.000 0.857 CA 1.343 15 residues pruned to eliminate duplicates Z: 6 3.907 1.570 0.910 0.493 0.600 0.600 N 0.978 3 residues pruned to eliminate duplicates Z: 10 11.711 1.782 0.585 0.561 0.889 0.667 CB 1.465 Z: 31 17.970 2.080 0.581 0.284 0.867 0.567 CB 1.468 31 residues pruned to eliminate duplicates Z: 12 12.048 1.784 0.500 0.889 1.000 0.818 CB 0.977 11 residues pruned to eliminate duplicates Z: 11 14.425 1.928 0.573 0.670 1.000 0.700 CB 1.286 19 residues pruned to eliminate duplicates Z: 15 16.165 1.984 0.692 0.910 1.000 0.714 CB 0.913 15 residues pruned to eliminate duplicates Z: 17 15.412 1.976 0.469 0.892 1.000 0.938 CB 0.954 16 residues pruned to eliminate duplicates Z: 9 10.577 1.816 0.918 0.668 0.750 0.750 CA 1.226 9 residues pruned to eliminate duplicates Z: 12 5.304 1.641 0.161 0.413 0.818 0.545 O 1.124 12 residues pruned to eliminate duplicates Z: 46 24.990 2.017 0.729 0.355 0.911 0.689 CB 1.371 49 residues pruned to eliminate duplicates Z: 8 7.928 1.785 0.102 0.854 1.000 1.000 CB 1.125 8 residues pruned to eliminate duplicates Z: 8 14.310 1.855 0.604 0.729 1.000 0.714 CA 1.480 Z: 41 31.752 2.038 0.540 0.631 0.950 0.725 CB 1.490 41 residues pruned to eliminate duplicates Z: 8 8.453 1.784 0.516 0.459 0.857 0.429 CB 1.437 8 residues pruned to eliminate duplicates Z: 20 15.085 1.928 0.609 0.697 0.842 0.579 CB 1.107 20 residues pruned to eliminate duplicates Z: 11 10.889 1.533 0.422 0.897 1.000 1.000 CB 1.131 11 residues pruned to eliminate duplicates Z: 24 17.146 1.897 0.432 0.564 0.957 0.783 CA 1.294 21 residues pruned to eliminate duplicates Z: 13 12.912 1.786 0.382 0.786 0.917 0.750 CA 1.282 13 residues pruned to eliminate duplicates Z: 11 11.311 1.487 0.630 0.858 1.000 0.700 CA 1.086 11 residues pruned to eliminate duplicates Z: 8 8.601 1.944 0.226 0.770 1.000 0.857 CB 1.074 Z: 6 3.883 1.704 0.440 0.849 1.000 0.800 CB 0.525 6 residues pruned to eliminate duplicates Z: 10 12.218 1.847 0.589 0.679 0.889 0.778 CA 1.324 10 residues pruned to eliminate duplicates Z: 12 4.522 1.715 0.260 0.304 0.636 0.364 CB 1.233 6 residues pruned to eliminate duplicates Z: 11 5.404 1.593 0.302 0.277 1.000 0.400 CA 1.060 11 residues pruned to eliminate duplicates Z: 16 14.079 1.847 0.684 0.603 0.867 0.533 CB 1.222 16 residues pruned to eliminate duplicates Z: 15 10.733 1.911 0.277 0.348 0.929 0.571 CB 1.492 15 residues pruned to eliminate duplicates Z: 30 18.731 2.043 0.529 0.343 0.931 0.655 CB 1.418 30 residues pruned to eliminate duplicates Z: 6 4.695 1.532 0.001 0.726 1.000 0.600 CB 1.118 Z: 9 7.656 1.792 0.693 0.376 0.875 0.375 CA 1.164 9 residues pruned to eliminate duplicates Z: 37 20.579 2.077 0.686 0.356 0.861 0.472 CB 1.329 37 residues pruned to eliminate duplicates Z: 9 14.478 1.879 0.829 0.658 0.875 0.375 CB 1.469 9 residues pruned to eliminate duplicates Z: 32 18.486 2.024 0.511 0.358 0.839 0.516 CB 1.509 39 residues pruned to eliminate duplicates Z: 10 6.773 1.503 0.574 0.861 1.000 0.444 CB 0.701 9 residues pruned to eliminate duplicates Z: 10 15.397 1.705 0.589 0.879 1.000 0.778 CA 1.374 10 residues pruned to eliminate duplicates Z: 9 9.766 1.936 0.348 0.469 1.000 0.500 CA 1.365 Z: 18 9.383 1.651 0.650 0.454 0.824 0.471 CB 1.064 12 residues pruned to eliminate duplicates Z: 19 10.498 1.901 0.481 0.426 0.722 0.444 CB 1.314 21 residues pruned to eliminate duplicates Z: 23 23.556 1.854 0.872 0.659 1.000 0.773 CB 1.249 22 residues pruned to eliminate duplicates Z: 16 16.701 1.785 0.618 0.609 0.933 0.600 CB 1.443 16 residues pruned to eliminate duplicates Z: 8 7.071 1.618 0.290 0.792 1.000 0.714 CB 0.991 Z: 16 12.029 1.679 0.293 0.876 0.933 0.667 CB 1.114 16 residues pruned to eliminate duplicates Z: 7 4.700 1.494 0.288 0.528 0.833 0.333 CB 1.165 7 residues pruned to eliminate duplicates Z: 14 13.497 1.731 0.568 0.913 1.000 0.923 CB 0.975 11 residues pruned to eliminate duplicates Z: 13 5.758 1.440 0.387 0.463 0.917 0.667 CB 0.943 10 residues pruned to eliminate duplicates Z: 7 6.511 1.587 0.288 0.795 1.000 0.833 CA 1.004 7 residues pruned to eliminate duplicates Z: 42 26.087 1.996 0.343 0.596 0.927 0.707 CB 1.496 42 residues pruned to eliminate duplicates Z: 36 19.172 2.022 0.515 0.310 0.943 0.571 CB 1.386 36 residues pruned to eliminate duplicates Z: 15 22.764 1.871 0.644 0.888 1.000 0.929 CA 1.425 15 residues pruned to eliminate duplicates Z: 8 12.020 1.724 0.692 0.774 0.857 0.857 CA 1.426 8 residues pruned to eliminate duplicates Z: 21 14.615 1.854 0.615 0.573 0.800 0.600 CB 1.271 21 residues pruned to eliminate duplicates Z: 20 14.011 2.022 0.448 0.411 0.895 0.579 CB 1.348 20 residues pruned to eliminate duplicates Z: 13 20.037 2.034 0.387 0.896 1.000 0.833 CA 1.468 13 residues pruned to eliminate duplicates Z: 46 24.514 1.869 0.620 0.587 0.956 0.644 CB 1.162 47 residues pruned to eliminate duplicates Z: 16 9.142 1.674 0.404 0.542 0.867 0.467 CB 1.112 16 residues pruned to eliminate duplicates Z: 12 12.925 1.835 0.695 0.613 0.909 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 23 12.669 1.690 0.441 0.461 0.864 0.591 CB 1.336 19 residues pruned to eliminate duplicates Z: 12 4.233 1.665 0.183 0.346 0.818 0.545 CB 0.936 12 residues pruned to eliminate duplicates Z: 64 22.588 1.930 0.527 0.392 0.873 0.556 CB 1.240 72 residues pruned to eliminate duplicates Z: 7 5.458 1.724 0.349 0.513 1.000 0.500 CB 0.946 Z: 8 10.327 1.829 0.313 0.881 1.000 1.000 CB 1.177 9 residues pruned to eliminate duplicates Z: 17 17.319 1.808 0.337 0.914 1.000 0.938 CB 1.267 17 residues pruned to eliminate duplicates Z: 18 14.834 1.764 0.712 0.607 0.882 0.765 CB 1.220 18 residues pruned to eliminate duplicates Z: 10 9.670 1.798 0.326 0.546 0.889 0.556 N 1.454 10 residues pruned to eliminate duplicates Z: 6 6.788 1.847 0.407 0.844 0.800 0.400 CA 1.086 6 residues pruned to eliminate duplicates Z: 9 15.926 1.763 0.824 0.842 1.000 0.750 CA 1.305 9 residues pruned to eliminate duplicates Z: 10 11.619 1.589 0.513 0.887 1.000 0.889 N 1.162 10 residues pruned to eliminate duplicates Z: 11 14.606 1.858 0.554 0.881 1.000 0.900 CB 1.159 11 residues pruned to eliminate duplicates Z: 12 5.258 1.706 -0.092 0.683 1.000 0.545 CB 0.865 Z: 10 12.511 1.886 0.779 0.619 0.889 0.556 CB 1.250 10 residues pruned to eliminate duplicates Z: 11 4.622 1.690 0.437 0.430 0.800 0.500 CB 0.809 Z: 6 7.039 1.698 0.571 0.648 0.800 0.600 N 1.285 Z: 33 16.089 1.983 0.564 0.322 0.844 0.531 CB 1.321 33 residues pruned to eliminate duplicates Z: 9 8.451 1.566 0.533 0.814 1.000 0.750 CB 0.947 Z: 9 12.606 1.726 0.480 0.884 1.000 0.875 CB 1.260 9 residues pruned to eliminate duplicates Z: 40 23.346 1.835 0.672 0.508 0.897 0.744 CB 1.347 53 residues pruned to eliminate duplicates Z: 9 6.645 1.722 0.479 0.459 0.750 0.625 CB 1.282 9 residues pruned to eliminate duplicates Z: 8 8.628 1.822 0.390 0.742 1.000 0.714 CB 1.037 Z: 19 15.940 1.800 0.441 0.574 1.000 0.611 N 1.348 19 residues pruned to eliminate duplicates Z: 15 17.784 1.810 0.472 0.926 1.000 0.929 CA 1.251 15 residues pruned to eliminate duplicates Z: 13 11.564 1.765 0.373 0.886 1.000 0.833 CB 0.994 11 residues pruned to eliminate duplicates Z: 14 9.223 1.714 0.495 0.551 1.000 0.538 CB 0.950 14 residues pruned to eliminate duplicates Z: 51 29.244 1.868 0.625 0.603 0.900 0.560 CB 1.373 51 residues pruned to eliminate duplicates Z: 6 4.867 1.537 0.847 0.709 1.000 0.400 CA 0.634 6 residues pruned to eliminate duplicates Z: 17 20.450 1.832 0.799 0.654 0.938 0.750 N 1.433 17 residues pruned to eliminate duplicates Z: 15 13.544 1.717 0.455 0.866 0.857 0.786 CA 1.237 15 residues pruned to eliminate duplicates Z: 16 6.630 1.533 0.346 0.381 0.933 0.533 CB 1.009 15 residues pruned to eliminate duplicates Z: 28 11.237 1.717 0.314 0.533 0.815 0.556 CB 1.139 28 residues pruned to eliminate duplicates Z: 9 11.334 1.697 0.662 0.818 0.875 0.875 CB 1.233 9 residues pruned to eliminate duplicates Z: 9 11.416 1.548 0.615 0.890 1.000 1.000 CB 1.162 13 residues pruned to eliminate duplicates Z: 9 13.806 1.788 0.904 0.706 0.875 0.750 CB 1.359 Z: 10 6.228 1.631 0.630 0.409 0.667 0.444 CB 1.289 10 residues pruned to eliminate duplicates Z: 20 29.392 2.013 0.677 0.894 1.000 0.789 CA 1.434 20 residues pruned to eliminate duplicates Z: 9 15.328 1.922 0.685 0.829 1.000 0.875 CB 1.259 9 residues pruned to eliminate duplicates Z: 6 2.658 1.553 0.342 0.299 0.600 0.600 C 1.190 8 1.971 1.433 0.071 0.425 0.857 0.429 N 0.612 ? Z: 20 15.398 1.812 0.178 0.857 1.000 0.895 CA 1.220 20 residues pruned to eliminate duplicates Z: 20 18.211 1.809 0.455 0.844 1.000 0.684 CB 1.181 20 residues pruned to eliminate duplicates Z: 17 12.573 1.661 0.298 0.845 0.938 0.625 CB 1.156 16 residues pruned to eliminate duplicates Z: 19 23.114 1.977 0.488 0.864 0.944 0.833 CA 1.438 19 residues pruned to eliminate duplicates Z: 12 16.730 1.868 0.700 0.767 0.818 0.818 N 1.532 12 residues pruned to eliminate duplicates Z: 14 22.572 1.939 0.635 0.879 1.000 0.769 CB 1.432 14 residues pruned to eliminate duplicates Z: 15 22.468 1.887 0.613 0.898 1.000 0.929 CA 1.412 15 residues pruned to eliminate duplicates Z: 28 18.009 2.023 0.602 0.341 0.889 0.407 CB 1.430 28 residues pruned to eliminate duplicates Z: 18 15.415 1.766 0.630 0.579 0.882 0.706 CB 1.364 18 residues pruned to eliminate duplicates Z: 15 27.390 1.871 0.941 0.915 1.000 0.786 CA 1.425 15 residues pruned to eliminate duplicates Z: 6 2.240 1.473 0.642 0.404 0.600 0.400 CB 0.764 Z: 41 25.108 1.858 0.685 0.684 0.975 0.675 CB 1.098 41 residues pruned to eliminate duplicates Z: 6 5.546 1.533 0.488 0.688 1.000 0.800 CB 0.916 Z: 14 7.245 1.635 0.484 0.427 0.846 0.462 CB 1.056 Z: 35 22.689 1.848 0.547 0.610 0.941 0.588 CB 1.303 35 residues pruned to eliminate duplicates Z: 13 13.314 1.647 0.571 0.833 0.917 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 17 15.910 1.784 0.668 0.876 0.938 0.688 CB 1.037 17 residues pruned to eliminate duplicates Z: 9 8.782 1.692 0.480 0.866 1.000 0.750 CB 0.907 9 residues pruned to eliminate duplicates Z: 9 12.602 1.376 1.043 0.882 1.000 0.875 N 1.147 Z: 6 2.876 1.529 0.239 0.346 0.800 0.400 N 1.003 Z: 21 25.110 1.786 0.770 0.855 1.000 0.650 CB 1.311 21 residues pruned to eliminate duplicates Z: 7 11.510 1.831 0.610 0.665 1.000 0.500 CB 1.368 Z: 6 5.844 1.586 0.480 0.858 0.800 0.600 CA 1.025 6 residues pruned to eliminate duplicates Z: 17 13.284 1.682 0.472 0.861 0.938 0.688 CB 1.051 17 residues pruned to eliminate duplicates Z: 20 11.885 1.837 0.301 0.427 0.842 0.474 CA 1.460 20 residues pruned to eliminate duplicates Z: 6 6.158 1.764 0.422 0.468 0.800 0.400 CA 1.418 6 residues pruned to eliminate duplicates Z: 15 25.468 1.889 0.946 0.930 1.000 0.429 CB 1.294 15 residues pruned to eliminate duplicates Z: 16 17.004 1.868 0.697 0.591 1.000 0.667 CB 1.269 16 residues pruned to eliminate duplicates Z: 9 14.787 1.827 0.493 0.741 1.000 0.875 CB 1.544 Z: 11 17.905 1.857 0.660 0.899 1.000 0.900 CA 1.313 11 residues pruned to eliminate duplicates Z: 6 7.839 1.609 0.446 0.859 1.000 1.000 N 1.109 6 residues pruned to eliminate duplicates Z: 15 23.139 1.903 0.713 0.884 1.000 0.786 CA 1.370 15 residues pruned to eliminate duplicates Z: 7 2.095 1.272 0.422 0.339 0.667 0.500 CB 0.846 Z: 12 6.578 1.677 0.538 0.448 0.636 0.545 CB 1.274 7 residues pruned to eliminate duplicates Z: 15 9.904 2.059 0.485 0.269 0.857 0.571 CB 1.313 15 residues pruned to eliminate duplicates Z: 6 3.611 1.470 0.975 0.741 1.000 0.400 CA 0.448 6 residues pruned to eliminate duplicates Z: 17 21.614 1.803 0.854 0.864 0.938 0.438 CB 1.265 17 residues pruned to eliminate duplicates Z: 39 20.862 1.976 0.506 0.330 0.947 0.632 CB 1.446 39 residues pruned to eliminate duplicates Z: 19 19.905 1.821 0.713 0.845 0.944 0.556 CB 1.184 19 residues pruned to eliminate duplicates Z: 19 18.057 1.992 0.490 0.526 0.944 0.833 CB 1.480 20 residues pruned to eliminate duplicates Z: 19 13.430 1.902 0.447 0.455 0.944 0.611 CB 1.275 19 residues pruned to eliminate duplicates Z: 19 19.233 1.787 0.541 0.875 0.944 0.667 CB 1.268 19 residues pruned to eliminate duplicates Z: 9 8.404 1.564 0.840 0.488 0.875 0.750 CB 1.194 4 residues pruned to eliminate duplicates Z: 15 16.503 1.799 0.406 0.906 1.000 1.000 CA 1.241 15 residues pruned to eliminate duplicates Z: 11 3.062 1.639 0.063 0.530 0.700 0.600 CB 0.771 Z: 15 17.979 1.789 0.556 0.875 1.000 0.714 CA 1.255 15 residues pruned to eliminate duplicates Z: 12 12.189 1.702 0.851 0.631 0.818 0.636 CB 1.261 12 residues pruned to eliminate duplicates Z: 16 16.090 1.836 0.710 0.685 0.867 0.867 CB 1.289 16 residues pruned to eliminate duplicates Z: 8 6.949 1.525 0.449 0.804 1.000 0.571 CB 0.911 8 residues pruned to eliminate duplicates Z: 26 17.644 1.852 0.349 0.575 0.920 0.560 CA 1.429 26 residues pruned to eliminate duplicates Z: 9 14.261 1.924 0.747 0.775 0.875 0.625 CB 1.345 9 residues pruned to eliminate duplicates Z: 36 21.973 2.060 0.661 0.377 0.886 0.686 CB 1.398 36 residues pruned to eliminate duplicates Z: 11 8.227 1.364 0.399 0.859 1.000 0.900 CB 1.004 11 residues pruned to eliminate duplicates Z: 24 17.425 1.862 0.502 0.513 0.870 0.609 CB 1.476 24 residues pruned to eliminate duplicates Z: 19 19.073 1.849 0.510 0.864 0.944 0.833 CB 1.250 19 residues pruned to eliminate duplicates Z: 6 2.169 1.755 -0.062 0.332 0.600 0.400 CA 1.179 6 residues pruned to eliminate duplicates Z: 14 16.246 1.794 1.040 0.653 0.769 0.615 CB 1.389 16 residues pruned to eliminate duplicates Z: 18 16.162 1.783 0.577 0.502 0.941 0.588 CB 1.477 22 residues pruned to eliminate duplicates Z: 9 6.207 1.708 0.285 0.579 0.875 0.625 CB 1.058 8 residues pruned to eliminate duplicates Z: 10 11.747 1.871 0.883 0.867 1.000 0.889 CB 0.813 10 residues pruned to eliminate duplicates Z: 12 12.789 1.930 0.377 0.431 1.000 0.636 CB 1.558 12 residues pruned to eliminate duplicates Z: 19 17.979 1.822 0.621 0.880 0.944 0.833 CB 1.101 19 residues pruned to eliminate duplicates Z: 6 3.058 1.471 0.648 0.340 0.600 0.600 N 1.120 Z: 8 6.326 1.690 0.368 0.830 1.000 0.857 CB 0.778 8 residues pruned to eliminate duplicates Z: 14 14.195 1.767 0.665 0.930 1.000 0.923 CB 0.936 14 residues pruned to eliminate duplicates Z: 15 11.659 1.843 0.480 0.454 0.857 0.500 CB 1.397 15 residues pruned to eliminate duplicates Z: 19 7.517 1.662 0.399 0.337 0.778 0.556 CB 1.171 Z: 23 17.429 1.810 0.411 0.539 0.955 0.591 N 1.468 26 residues pruned to eliminate duplicates Z: 6 3.281 1.505 0.227 0.289 1.000 0.600 CB 1.007 Z: 21 10.349 1.716 0.548 0.390 0.800 0.400 CB 1.223 21 residues pruned to eliminate duplicates Z: 6 6.317 1.428 0.591 0.804 1.000 1.000 O 0.954 Z: 7 2.781 1.382 0.164 0.427 0.833 0.500 CB 0.914 Z: 15 22.613 1.971 0.634 0.903 1.000 0.857 CB 1.338 15 residues pruned to eliminate duplicates Z: 40 23.601 1.892 0.613 0.644 0.974 0.667 CB 1.111 40 residues pruned to eliminate duplicates Z: 17 14.055 1.961 0.513 0.873 0.938 0.875 CB 0.920 17 residues pruned to eliminate duplicates Z: 10 13.845 1.625 0.656 0.855 1.000 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 6 5.293 1.871 -0.108 0.882 1.000 1.000 CB 1.026 6 residues pruned to eliminate duplicates Z: 51 28.750 1.823 0.634 0.618 0.900 0.600 CB 1.357 111 residues pruned to eliminate duplicates Z: 9 6.450 1.670 0.630 0.385 0.875 0.625 N 1.082 10 residues pruned to eliminate duplicates Z: 11 6.499 1.686 0.394 0.451 0.800 0.600 N 1.151 9 residues pruned to eliminate duplicates Z: 9 6.889 1.838 0.201 0.394 0.875 0.500 CB 1.411 9 residues pruned to eliminate duplicates Z: 27 19.076 1.788 0.763 0.641 0.885 0.692 CB 1.175 27 residues pruned to eliminate duplicates Z: 11 13.486 1.535 0.728 0.903 1.000 0.900 CB 1.146 11 residues pruned to eliminate duplicates Z: 6 5.155 1.820 0.414 0.458 0.800 0.400 CB 1.169 6 residues pruned to eliminate duplicates Z: 19 7.339 1.691 0.457 0.281 0.833 0.444 CB 1.079 Z: 38 23.308 2.068 0.723 0.353 0.919 0.703 CB 1.371 38 residues pruned to eliminate duplicates Z: 7 9.653 1.602 0.720 0.588 1.000 1.000 N 1.315 9 residues pruned to eliminate duplicates Z: 15 26.948 1.879 0.915 0.901 1.000 0.500 CA 1.428 15 residues pruned to eliminate duplicates Z: 10 5.876 1.561 0.489 0.562 0.889 0.778 CB 0.893 Z: 8 5.807 1.735 0.178 0.638 0.857 0.571 N 1.101 8 residues pruned to eliminate duplicates Z: 18 13.590 1.921 0.438 0.519 0.882 0.529 N 1.326 17 residues pruned to eliminate duplicates Z: 8 4.273 1.525 0.468 0.558 0.714 0.714 CB 0.954 Z: 23 8.513 1.769 0.291 0.297 0.727 0.409 CB 1.371 23 residues pruned to eliminate duplicates Z: 10 14.581 1.631 0.774 0.827 1.000 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 22 14.608 1.809 0.673 0.553 0.952 0.571 CB 1.051 22 residues pruned to eliminate duplicates Z: 10 7.768 1.579 0.462 0.783 0.778 0.556 N 1.124 10 residues pruned to eliminate duplicates Z: 8 8.383 1.712 0.728 0.348 0.857 0.571 CA 1.474 Z: 12 6.474 1.789 0.235 0.537 0.727 0.455 CB 1.172 Z: 8 8.081 1.916 0.212 0.792 1.000 0.857 CB 1.018 8 residues pruned to eliminate duplicates Z: 9 7.446 1.819 0.036 0.845 1.000 1.000 CB 1.039 Z: 11 10.155 1.599 0.420 0.841 0.900 0.600 CA 1.172 10 residues pruned to eliminate duplicates Z: 16 15.352 1.959 0.627 0.884 1.000 0.733 CB 0.899 16 residues pruned to eliminate duplicates Z: 19 8.452 1.597 0.564 0.593 0.944 0.500 CB 0.773 11 residues pruned to eliminate duplicates Z: 10 11.674 1.494 0.482 0.874 1.000 1.000 CB 1.279 10 residues pruned to eliminate duplicates Z: 10 3.237 1.684 -0.284 0.531 1.000 0.778 CB 0.868 10 residues pruned to eliminate duplicates Z: 9 8.788 1.749 0.330 0.493 1.000 0.625 N 1.346 9 residues pruned to eliminate duplicates Z: 11 12.373 1.785 0.624 0.561 0.900 0.600 CB 1.414 11 residues pruned to eliminate duplicates Z: 13 12.897 1.724 0.904 0.893 1.000 0.833 CB 0.815 13 residues pruned to eliminate duplicates Z: 34 19.021 1.894 0.570 0.550 0.848 0.697 CB 1.250 37 residues pruned to eliminate duplicates Z: 7 7.371 1.584 0.903 0.670 1.000 0.833 CB 0.854 7 residues pruned to eliminate duplicates Z: 18 17.620 1.891 0.766 0.798 0.882 0.765 CB 1.118 18 residues pruned to eliminate duplicates Z: 13 12.804 1.750 0.678 0.877 0.917 0.667 CB 0.997 13 residues pruned to eliminate duplicates Z: 10 10.717 1.577 0.396 0.815 1.000 0.889 N 1.233 10 residues pruned to eliminate duplicates Z: 16 7.393 1.641 0.633 0.382 0.800 0.667 CB 1.010 16 residues pruned to eliminate duplicates Z: 11 15.347 1.791 0.992 0.596 0.900 0.600 N 1.380 11 residues pruned to eliminate duplicates Z: 16 17.438 1.852 0.569 0.878 1.000 0.800 CB 1.125 16 residues pruned to eliminate duplicates Z: 18 19.188 1.815 0.736 0.878 0.824 0.706 CB 1.302 18 residues pruned to eliminate duplicates Z: 11 11.566 1.547 0.508 0.841 1.000 0.900 CA 1.169 11 residues pruned to eliminate duplicates Z: 23 23.086 1.924 0.710 0.645 0.909 0.455 CB 1.438 23 residues pruned to eliminate duplicates Z: 21 20.377 1.764 0.600 0.863 0.950 0.800 CB 1.247 Z: 15 13.103 1.691 0.415 0.829 0.929 0.929 CA 1.186 15 residues pruned to eliminate duplicates Z: 8 9.553 1.875 0.941 0.497 0.857 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 10 2.937 1.542 -0.089 0.269 0.778 0.444 CB 1.165 10 residues pruned to eliminate duplicates Z: 8 8.691 1.641 0.985 0.577 0.857 0.714 CB 1.092 8 residues pruned to eliminate duplicates Z: 30 16.955 1.880 0.470 0.522 0.931 0.655 CB 1.197 35 residues pruned to eliminate duplicates Z: 8 13.279 1.825 0.614 0.863 1.000 0.857 CA 1.250 8 residues pruned to eliminate duplicates Z: 8 10.458 1.581 0.468 0.897 1.000 0.714 N 1.219 8 residues pruned to eliminate duplicates Z: 21 20.186 1.755 0.531 0.837 1.000 0.600 CA 1.256 21 residues pruned to eliminate duplicates Z: 6 8.608 1.671 0.333 0.865 1.000 1.000 CA 1.265 6 residues pruned to eliminate duplicates Z: 16 23.016 1.933 0.685 0.920 1.000 0.867 CB 1.284 16 residues pruned to eliminate duplicates Z: 6 2.725 1.662 0.121 0.584 1.000 0.600 CB 0.604 Z: 11 8.938 1.611 1.129 0.617 0.600 0.200 CB 1.229 11 residues pruned to eliminate duplicates Z: 7 3.961 1.651 -0.068 0.872 1.000 0.833 CB 0.766 6 residues pruned to eliminate duplicates Z: 17 6.476 1.619 -0.005 0.617 0.875 0.562 CB 1.028 14 residues pruned to eliminate duplicates Z: 19 7.873 1.584 0.127 0.609 0.944 0.611 CB 0.993 8 residues pruned to eliminate duplicates Z: 11 9.318 1.490 0.496 0.807 0.900 0.500 CB 1.124 11 residues pruned to eliminate duplicates Z: 7 4.178 1.618 0.341 0.244 0.833 0.500 CB 1.268 Z: 9 6.460 1.780 -0.024 0.736 0.875 0.750 CB 1.216 7 residues pruned to eliminate duplicates Z: 18 11.779 1.856 0.579 0.559 0.765 0.529 CB 1.203 18 residues pruned to eliminate duplicates Z: 16 23.681 1.913 0.730 0.917 1.000 0.867 CB 1.304 16 residues pruned to eliminate duplicates Z: 24 16.159 1.847 0.438 0.515 0.957 0.652 CB 1.306 24 residues pruned to eliminate duplicates Z: 9 9.024 1.623 0.280 0.819 0.875 0.625 CB 1.331 9 residues pruned to eliminate duplicates Z: 17 13.501 1.921 0.715 0.864 1.000 0.938 CB 0.751 17 residues pruned to eliminate duplicates Z: 7 3.193 1.393 0.383 0.400 0.833 0.833 CB 0.903 Z: 27 21.152 1.912 0.579 0.611 0.885 0.538 CA 1.398 27 residues pruned to eliminate duplicates Z: 6 4.203 1.548 0.309 0.597 0.800 0.600 CB 1.057 Z: 6 4.741 1.486 0.635 0.853 1.000 1.000 CA 0.645 6 residues pruned to eliminate duplicates Z: 26 26.643 1.862 0.705 0.735 0.960 0.800 N 1.415 45 residues pruned to eliminate duplicates Z: 7 3.003 1.504 0.263 0.389 0.833 0.667 CB 0.871 Z: 13 11.772 1.709 0.769 0.904 1.000 0.917 CB 0.801 13 residues pruned to eliminate duplicates Z: 27 12.955 1.630 0.345 0.631 0.923 0.692 CB 1.110 29 residues pruned to eliminate duplicates Z: 17 16.878 1.808 0.633 0.883 0.938 0.625 CB 1.102 17 residues pruned to eliminate duplicates Z: 23 12.845 1.791 0.252 0.386 0.955 0.545 CB 1.444 20 residues pruned to eliminate duplicates Z: 13 18.488 1.821 0.778 0.901 0.917 0.417 CB 1.284 13 residues pruned to eliminate duplicates Z: 10 7.923 1.670 0.341 0.696 0.889 0.556 CB 1.109 10 residues pruned to eliminate duplicates Z: 24 11.004 1.714 0.375 0.360 0.913 0.565 CB 1.240 24 residues pruned to eliminate duplicates Z: 16 14.181 1.632 0.522 0.840 0.933 0.667 CB 1.178 16 residues pruned to eliminate duplicates Z: 6 4.600 1.487 0.213 0.749 1.000 1.000 CA 0.913 6 residues pruned to eliminate duplicates Z: 9 7.217 1.743 0.388 0.408 0.875 0.625 CB 1.327 10 residues pruned to eliminate duplicates Z: 9 13.057 1.683 0.723 0.843 1.000 0.875 CA 1.185 9 residues pruned to eliminate duplicates Z: 8 6.234 1.539 0.566 0.743 0.714 0.571 CB 1.101 8 residues pruned to eliminate duplicates Z: 31 13.667 1.855 0.329 0.441 0.867 0.567 CB 1.241 31 residues pruned to eliminate duplicates Z: 11 21.240 1.790 0.818 0.811 1.000 0.700 O 1.574 Z: 15 12.820 1.682 0.541 0.649 0.857 0.786 CB 1.343 8 residues pruned to eliminate duplicates Z: 19 10.313 1.789 0.513 0.349 0.778 0.611 CB 1.361 19 residues pruned to eliminate duplicates Z: 10 5.024 1.846 0.149 0.399 0.889 0.556 CB 0.988 10 residues pruned to eliminate duplicates Z: 40 24.172 1.867 0.613 0.660 0.923 0.718 CB 1.200 33 residues pruned to eliminate duplicates Z: 15 5.559 1.655 0.134 0.416 0.857 0.571 CB 1.009 14 residues pruned to eliminate duplicates Z: 10 12.525 1.820 0.643 0.822 1.000 0.667 CB 1.055 10 residues pruned to eliminate duplicates Z: 36 25.255 2.070 0.693 0.382 0.943 0.657 CB 1.465 36 residues pruned to eliminate duplicates Z: 13 7.546 1.661 0.704 0.506 0.917 0.667 CB 0.835 13 residues pruned to eliminate duplicates Z: 35 23.044 2.034 0.532 0.390 0.912 0.647 CA 1.562 35 residues pruned to eliminate duplicates Z: 18 10.049 1.561 0.428 0.401 1.000 0.647 CB 1.213 18 residues pruned to eliminate duplicates Z: 16 13.993 1.921 0.590 0.908 0.933 0.933 CB 0.900 16 residues pruned to eliminate duplicates Z: 10 10.294 1.347 0.839 0.842 1.000 0.778 CA 1.032 10 residues pruned to eliminate duplicates Z: 18 21.516 1.842 0.781 0.854 0.882 0.588 CB 1.331 18 residues pruned to eliminate duplicates 6 1.488 1.505 0.282 0.446 0.600 0.600 CA 0.607 ? Z: 7 3.470 1.517 0.405 0.457 0.833 0.667 CB 0.834 Z: 19 17.040 1.811 0.420 0.877 0.944 0.611 CB 1.200 19 residues pruned to eliminate duplicates Z: 8 7.285 1.650 0.337 0.806 1.000 0.571 CB 0.956 Z: 33 17.624 2.110 0.364 0.360 0.938 0.688 CB 1.343 33 residues pruned to eliminate duplicates Z: 11 10.137 1.889 0.420 0.633 1.000 0.900 CB 1.055 11 residues pruned to eliminate duplicates Z: 9 8.572 1.674 0.731 0.751 0.875 0.750 N 0.955 Z: 10 4.580 1.589 0.382 0.532 0.889 0.778 CB 0.758 6 residues pruned to eliminate duplicates Z: 28 16.419 1.965 0.513 0.366 0.963 0.741 CB 1.274 28 residues pruned to eliminate duplicates Z: 41 24.563 1.893 0.513 0.702 0.950 0.750 CB 1.187 41 residues pruned to eliminate duplicates Z: 6 6.038 1.581 1.048 0.585 0.800 0.400 CB 0.961 Z: 12 8.983 1.593 0.476 0.710 1.000 0.818 CB 0.952 Z: 6 5.460 1.616 1.132 0.774 1.000 0.800 CA 0.556 6 residues pruned to eliminate duplicates Z: 10 9.237 1.574 0.617 0.669 0.889 0.778 CB 1.164 10 residues pruned to eliminate duplicates Z: 7 7.000 1.915 -0.044 0.799 1.000 1.000 CB 1.200 6 residues pruned to eliminate duplicates Z: 38 17.361 2.012 0.556 0.346 0.865 0.568 CB 1.246 38 residues pruned to eliminate duplicates Z: 8 2.712 1.479 -0.048 0.441 0.857 0.571 CB 0.902 8 residues pruned to eliminate duplicates Z: 13 10.127 1.626 0.844 0.417 0.833 0.583 CB 1.276 7 residues pruned to eliminate duplicates Z: 10 3.287 1.510 0.186 0.355 0.889 0.667 CB 0.805 5 residues pruned to eliminate duplicates Z: 17 16.128 1.712 0.434 0.886 1.000 0.750 CB 1.185 17 residues pruned to eliminate duplicates Z: 12 9.014 1.651 0.399 0.481 1.000 0.727 CB 1.200 14 residues pruned to eliminate duplicates Z: 9 5.449 1.627 0.603 0.301 0.750 0.500 CB 1.230 8 residues pruned to eliminate duplicates Z: 20 25.390 1.977 0.613 0.771 1.000 0.789 CB 1.437 19 residues pruned to eliminate duplicates Z: 8 3.093 1.392 0.183 0.631 0.714 0.429 CB 0.879 8 residues pruned to eliminate duplicates Z: 6 3.302 1.554 0.486 0.609 0.800 0.600 CA 0.721 6 residues pruned to eliminate duplicates Z: 11 8.745 2.155 0.349 0.199 0.900 0.600 CA 1.512 11 residues pruned to eliminate duplicates Z: 17 20.676 1.853 0.864 0.903 0.938 0.750 CB 1.138 17 residues pruned to eliminate duplicates Z: 7 13.480 1.691 0.915 0.813 1.000 1.000 CB 1.295 Z: 14 4.461 1.558 0.280 0.381 0.769 0.462 CB 0.916 11 residues pruned to eliminate duplicates Z: 6 5.226 1.498 0.158 0.554 1.000 0.600 O 1.278 5 residues pruned to eliminate duplicates Z: 18 9.289 1.608 0.550 0.460 0.765 0.588 N 1.232 17 residues pruned to eliminate duplicates Z: 15 8.441 1.509 0.415 0.538 0.857 0.643 N 1.187 15 residues pruned to eliminate duplicates Z: 7 6.433 1.892 0.121 0.801 1.000 1.000 CB 0.952 7 residues pruned to eliminate duplicates Z: 9 3.753 1.362 0.542 0.256 0.875 0.375 N 0.955 Z: 10 2.580 1.405 0.353 0.184 0.889 0.444 CB 0.744 Z: 8 3.676 1.401 0.308 0.433 0.857 0.429 CB 0.948 8 residues pruned to eliminate duplicates Z: 25 8.317 1.653 0.362 0.244 0.750 0.417 CB 1.352 30 residues pruned to eliminate duplicates Z: 14 5.983 1.662 0.483 0.151 0.846 0.462 CB 1.222 14 residues pruned to eliminate duplicates Z: 21 11.239 1.685 0.700 0.454 0.900 0.300 CB 1.022 15 residues pruned to eliminate duplicates Z: 10 11.448 1.620 0.487 0.823 1.000 0.778 CB 1.197 10 residues pruned to eliminate duplicates Z: 22 15.795 1.730 0.806 0.545 0.857 0.571 CB 1.232 21 residues pruned to eliminate duplicates Z: 35 21.575 1.825 0.612 0.619 0.941 0.588 CB 1.195 31 residues pruned to eliminate duplicates Z: 9 5.234 1.513 0.495 0.440 0.875 0.500 CB 0.995 6 residues pruned to eliminate duplicates Z: 10 11.491 1.615 1.035 0.869 1.000 0.889 CA 0.851 10 residues pruned to eliminate duplicates Z: 24 10.657 1.654 0.503 0.442 0.826 0.565 CB 1.149 24 residues pruned to eliminate duplicates Z: 16 23.618 1.955 0.920 0.758 0.933 0.533 CB 1.384 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.884 1.459 0.671 0.476 1.000 1.000 CA 1.106 6 residues pruned to eliminate duplicates Z: 11 6.527 1.704 0.364 0.494 0.900 0.500 CB 0.992 11 residues pruned to eliminate duplicates Z: 12 6.914 1.693 0.394 0.437 0.909 0.545 CB 1.037 12 residues pruned to eliminate duplicates Z: 10 6.301 1.703 0.486 0.457 0.889 0.556 CB 0.975 10 residues pruned to eliminate duplicates Z: 10 5.779 1.691 0.566 0.465 0.778 0.556 CB 0.969 10 residues pruned to eliminate duplicates Z: 8 6.231 1.598 1.011 0.658 0.714 0.714 CB 0.886 8 residues pruned to eliminate duplicates Z: 6 7.803 1.690 1.013 0.578 1.000 0.800 CB 0.952 6 residues pruned to eliminate duplicates Z: 7 12.355 1.726 1.074 0.639 1.000 0.833 CB 1.237 7 residues pruned to eliminate duplicates Z: 8 7.349 1.652 0.562 0.513 1.000 0.857 CB 1.063 8 residues pruned to eliminate duplicates Z: 6 3.584 1.820 0.050 0.479 0.800 0.600 CB 1.070 6 residues pruned to eliminate duplicates Z: 7 2.752 1.685 0.080 0.484 0.833 0.500 CB 0.753 7 residues pruned to eliminate duplicates Z: 8 4.056 1.655 0.050 0.543 0.857 0.714 CB 0.987 8 residues pruned to eliminate duplicates Z: 7 6.184 1.666 0.228 0.558 0.833 0.667 N 1.399 7 residues pruned to eliminate duplicates Z: 10 6.251 1.875 0.098 0.657 0.889 0.778 CB 0.984 10 residues pruned to eliminate duplicates Z: 7 4.412 1.368 0.698 0.428 0.833 0.500 O 1.003 7 residues pruned to eliminate duplicates Z: 7 5.759 1.926 0.183 0.682 1.000 0.500 CB 0.873 7 residues pruned to eliminate duplicates Z: 8 10.540 1.924 0.388 0.830 1.000 0.857 CB 1.122 8 residues pruned to eliminate duplicates 6 1.559 1.322 0.699 0.250 0.800 0.400 CA 0.518 ? Z: 6 5.366 1.301 0.582 0.645 1.000 0.200 C 1.019 Z: 13 14.624 1.676 0.570 0.878 1.000 0.667 CB 1.164 14 residues pruned to eliminate duplicates Z: 13 13.758 1.704 0.414 0.876 1.000 0.750 CB 1.198 13 residues pruned to eliminate duplicates Z: 18 15.664 1.787 0.565 0.608 0.941 0.706 CA 1.303 18 residues pruned to eliminate duplicates Z: 18 10.499 1.714 0.381 0.574 0.941 0.765 CB 1.064 18 residues pruned to eliminate duplicates Z: 16 13.335 1.775 0.355 0.673 0.933 0.667 CB 1.307 16 residues pruned to eliminate duplicates Z: 21 9.993 1.679 0.331 0.507 0.900 0.750 CB 1.103 21 residues pruned to eliminate duplicates Z: 14 12.161 1.773 0.517 0.544 0.846 0.692 CB 1.420 14 residues pruned to eliminate duplicates Z: 26 22.039 1.787 0.701 0.627 0.920 0.720 CB 1.399 26 residues pruned to eliminate duplicates Z: 18 15.134 1.837 0.711 0.543 0.941 0.588 CB 1.190 18 residues pruned to eliminate duplicates Z: 33 18.149 1.876 0.510 0.421 0.938 0.531 CB 1.312 33 residues pruned to eliminate duplicates Z: 35 18.394 1.883 0.389 0.433 0.971 0.559 CB 1.332 35 residues pruned to eliminate duplicates Z: 14 14.188 1.829 0.846 0.569 0.923 0.769 CB 1.181 14 residues pruned to eliminate duplicates Z: 20 14.456 1.796 0.741 0.453 0.895 0.632 CB 1.244 26 residues pruned to eliminate duplicates Z: 6 2.353 1.470 0.236 0.472 1.000 1.000 CA 0.596 Z: 6 4.562 1.921 0.063 0.205 1.000 0.400 CA 1.418 6 residues pruned to eliminate duplicates Z: 19 9.652 1.890 0.124 0.329 0.833 0.444 CA 1.549 19 residues pruned to eliminate duplicates Z: 27 13.019 1.713 0.440 0.387 0.846 0.538 CB 1.380 27 residues pruned to eliminate duplicates Z: 15 13.130 1.953 0.345 0.379 0.929 0.429 CA 1.636 15 residues pruned to eliminate duplicates Z: 20 14.759 1.824 0.413 0.482 0.895 0.579 CB 1.495 21 residues pruned to eliminate duplicates 6 1.917 1.294 0.633 0.269 0.800 0.600 CA 0.660 ? Z: 6 2.151 1.373 0.338 0.164 0.800 0.400 CA 0.987 6 residues pruned to eliminate duplicates Z: 19 14.729 1.913 0.453 0.442 0.889 0.667 CA 1.492 19 residues pruned to eliminate duplicates Z: 22 13.564 1.744 0.604 0.356 0.857 0.619 N 1.443 22 residues pruned to eliminate duplicates Z: 39 16.888 1.831 0.625 0.325 0.763 0.474 CA 1.462 49 residues pruned to eliminate duplicates Z: 13 18.148 1.797 0.434 0.878 1.000 0.583 N 1.476 13 residues pruned to eliminate duplicates Z: 14 24.004 1.930 0.789 0.927 0.923 0.923 CA 1.464 14 residues pruned to eliminate duplicates Z: 15 23.041 1.874 0.752 0.883 1.000 0.714 CB 1.356 15 residues pruned to eliminate duplicates Z: 14 25.250 1.961 0.737 0.913 1.000 0.769 CB 1.456 14 residues pruned to eliminate duplicates Z: 15 29.070 1.906 0.994 0.890 1.000 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 15 26.445 1.887 0.942 0.884 1.000 0.571 CB 1.394 15 residues pruned to eliminate duplicates Z: 14 25.522 1.882 1.071 0.916 1.000 0.615 CB 1.282 14 residues pruned to eliminate duplicates Z: 15 24.640 1.876 0.943 0.904 0.929 0.786 CB 1.386 15 residues pruned to eliminate duplicates Z: 15 27.631 1.877 1.111 0.896 0.929 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 15 28.800 1.883 1.012 0.903 1.000 0.500 CA 1.448 15 residues pruned to eliminate duplicates Z: 16 24.416 1.798 0.920 0.843 1.000 0.533 CA 1.361 16 residues pruned to eliminate duplicates Z: 15 28.823 1.891 1.107 0.918 1.000 0.643 CB 1.364 15 residues pruned to eliminate duplicates Z: 13 17.382 1.879 0.435 0.927 1.000 0.750 CA 1.304 13 residues pruned to eliminate duplicates Z: 56 27.147 1.810 0.431 0.599 0.909 0.582 CB 1.415 56 residues pruned to eliminate duplicates Z: 36 26.282 1.826 0.477 0.657 0.943 0.629 CB 1.510 36 residues pruned to eliminate duplicates Z: 15 17.302 1.825 0.497 0.909 0.929 0.714 CA 1.294 15 residues pruned to eliminate duplicates Z: 15 21.788 1.834 0.599 0.913 1.000 0.786 CA 1.405 15 residues pruned to eliminate duplicates Z: 15 19.575 1.776 0.879 0.792 0.929 0.643 CA 1.307 15 residues pruned to eliminate duplicates Z: 14 18.009 1.836 0.873 0.751 0.846 0.231 CB 1.372 14 residues pruned to eliminate duplicates Z: 14 18.068 1.850 0.643 0.898 0.846 0.385 CB 1.394 14 residues pruned to eliminate duplicates Z: 15 18.503 1.766 0.746 0.900 0.929 0.357 CB 1.234 16 residues pruned to eliminate duplicates Z: 17 16.251 1.751 0.609 0.767 0.875 0.562 CB 1.301 17 residues pruned to eliminate duplicates Z: 30 24.243 1.921 0.610 0.656 0.931 0.586 CB 1.352 30 residues pruned to eliminate duplicates Z: 26 19.546 1.928 0.567 0.570 0.880 0.560 CB 1.374 26 residues pruned to eliminate duplicates Z: 33 22.458 1.854 0.600 0.584 0.875 0.500 CB 1.411 33 residues pruned to eliminate duplicates Z: 29 24.992 1.900 0.805 0.677 0.857 0.429 CB 1.365 29 residues pruned to eliminate duplicates Z: 23 18.785 1.776 0.759 0.516 0.955 0.591 CB 1.322 23 residues pruned to eliminate duplicates Z: 14 14.817 1.943 0.556 0.561 0.923 0.615 CB 1.388 14 residues pruned to eliminate duplicates Z: 45 26.244 1.897 0.527 0.577 0.932 0.705 CB 1.360 45 residues pruned to eliminate duplicates Z: 27 25.569 1.924 0.709 0.741 0.885 0.654 CB 1.389 27 residues pruned to eliminate duplicates Z: 20 22.042 1.928 0.725 0.655 0.947 0.789 CB 1.390 20 residues pruned to eliminate duplicates Z: 30 17.690 1.828 0.706 0.518 0.759 0.586 CB 1.363 30 residues pruned to eliminate duplicates Z: 18 16.249 1.941 0.667 0.510 0.882 0.588 CB 1.367 18 residues pruned to eliminate duplicates Z: 16 17.641 1.904 0.536 0.624 1.000 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 48 21.582 1.870 0.547 0.509 0.851 0.638 CB 1.266 48 residues pruned to eliminate duplicates Z: 24 21.896 1.882 0.643 0.666 0.913 0.652 CB 1.388 24 residues pruned to eliminate duplicates Z: 45 22.345 1.916 0.494 0.507 0.886 0.523 CB 1.318 45 residues pruned to eliminate duplicates Z: 44 23.216 1.825 0.531 0.594 0.884 0.535 CB 1.311 44 residues pruned to eliminate duplicates Z: 11 13.199 1.824 0.456 0.663 1.000 0.600 CB 1.352 11 residues pruned to eliminate duplicates Z: 23 19.305 1.892 0.789 0.599 0.909 0.636 CB 1.217 23 residues pruned to eliminate duplicates Z: 43 22.018 1.790 0.564 0.575 0.905 0.548 CB 1.248 51 residues pruned to eliminate duplicates Z: 6 4.055 1.593 0.836 0.318 0.800 0.800 CA 0.947 6 residues pruned to eliminate duplicates Z: 41 23.817 1.843 0.690 0.599 0.900 0.575 CB 1.222 41 residues pruned to eliminate duplicates Z: 19 14.428 1.823 0.701 0.599 0.889 0.611 CB 1.123 19 residues pruned to eliminate duplicates Z: 37 20.229 1.867 0.660 0.552 0.833 0.611 CB 1.241 37 residues pruned to eliminate duplicates Z: 60 32.290 1.868 0.641 0.629 0.915 0.610 CB 1.327 60 residues pruned to eliminate duplicates Z: 27 21.001 1.847 0.571 0.613 0.923 0.692 CB 1.382 27 residues pruned to eliminate duplicates Z: 36 24.085 1.896 0.736 0.639 0.886 0.714 CB 1.226 36 residues pruned to eliminate duplicates Z: 41 22.751 1.835 0.726 0.588 0.900 0.675 CB 1.160 41 residues pruned to eliminate duplicates Z: 35 25.468 1.907 0.671 0.646 0.941 0.647 CB 1.271 35 residues pruned to eliminate duplicates Z: 18 19.385 1.883 0.746 0.641 0.941 0.588 CB 1.332 18 residues pruned to eliminate duplicates Z: 36 22.352 1.859 0.615 0.604 0.914 0.686 CB 1.247 36 residues pruned to eliminate duplicates Z: 15 19.478 1.931 0.654 0.646 0.929 0.714 CB 1.531 15 residues pruned to eliminate duplicates Z: 16 16.361 1.839 0.638 0.631 0.867 0.600 CB 1.431 16 residues pruned to eliminate duplicates Z: 11 18.735 1.967 0.809 0.655 0.900 0.600 N 1.602 11 residues pruned to eliminate duplicates Z: 13 19.733 2.002 0.722 0.595 1.000 0.667 CB 1.508 13 residues pruned to eliminate duplicates Z: 9 4.846 1.838 0.445 0.370 0.750 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 16 16.448 1.901 0.602 0.602 0.933 0.667 CB 1.356 16 residues pruned to eliminate duplicates Z: 21 20.983 1.868 0.790 0.586 0.950 0.650 CB 1.359 21 residues pruned to eliminate duplicates Z: 20 19.453 1.853 0.825 0.548 0.895 0.526 CB 1.407 20 residues pruned to eliminate duplicates Z: 11 7.485 1.676 0.662 0.445 1.000 0.700 CB 0.899 Z: 6 3.393 1.470 1.052 0.329 0.800 0.600 CA 0.758 6 residues pruned to eliminate duplicates Z: 9 5.087 1.717 0.325 0.397 0.750 0.375 CB 1.175 16 residues pruned to eliminate duplicates Z: 20 26.890 1.991 0.713 0.783 0.947 0.632 CA 1.489 20 residues pruned to eliminate duplicates Z: 19 24.969 2.016 0.576 0.763 1.000 0.833 CB 1.466 19 residues pruned to eliminate duplicates Z: 38 22.512 1.888 0.606 0.610 0.892 0.568 CB 1.233 64 residues pruned to eliminate duplicates Z: 32 16.211 1.854 0.494 0.541 0.839 0.613 CB 1.204 Z: 18 25.419 1.997 0.759 0.832 0.882 0.471 CB 1.494 29 residues pruned to eliminate duplicates Z: 17 24.607 1.997 0.862 0.821 0.875 0.625 CA 1.431 19 residues pruned to eliminate duplicates Z: 19 27.238 1.965 0.722 0.842 1.000 0.722 CA 1.414 19 residues pruned to eliminate duplicates Z: 18 27.654 2.022 0.853 0.851 0.941 0.706 CA 1.408 19 residues pruned to eliminate duplicates Z: 19 26.389 1.951 0.716 0.879 0.944 0.722 CA 1.427 18 residues pruned to eliminate duplicates Z: 19 28.968 1.943 0.726 0.863 1.000 0.667 CA 1.493 19 residues pruned to eliminate duplicates Z: 17 29.702 2.098 0.764 0.885 0.938 0.812 CA 1.544 18 residues pruned to eliminate duplicates Z: 18 29.079 2.044 0.771 0.827 1.000 0.647 CA 1.469 18 residues pruned to eliminate duplicates Z: 34 26.246 1.865 0.722 0.654 0.939 0.606 CB 1.313 52 residues pruned to eliminate duplicates Z: 28 25.512 1.972 0.511 0.683 1.000 0.593 CB 1.392 Z: 17 25.513 2.033 0.521 0.872 1.000 0.562 CB 1.503 17 residues pruned to eliminate duplicates Z: 36 26.376 1.941 0.645 0.604 0.943 0.600 CB 1.342 29 residues pruned to eliminate duplicates Z: 25 29.868 1.982 0.675 0.796 1.000 0.708 CB 1.417 26 residues pruned to eliminate duplicates Z: 26 26.320 1.888 0.622 0.801 0.960 0.760 CB 1.376 26 residues pruned to eliminate duplicates Z: 34 27.316 1.931 0.645 0.614 0.970 0.576 CB 1.385 32 residues pruned to eliminate duplicates Z: 9 13.816 1.749 0.643 0.866 0.875 0.625 CA 1.422 9 residues pruned to eliminate duplicates Z: 19 13.406 1.865 0.612 0.516 0.778 0.556 CB 1.330 19 residues pruned to eliminate duplicates Z: 19 16.293 1.912 0.547 0.473 1.000 0.778 CB 1.335 21 residues pruned to eliminate duplicates Z: 9 15.172 1.743 0.852 0.854 1.000 0.625 CA 1.228 9 residues pruned to eliminate duplicates Z: 18 15.002 1.925 0.474 0.460 0.941 0.529 CB 1.419 18 residues pruned to eliminate duplicates Z: 34 19.771 1.904 0.654 0.578 0.788 0.606 CB 1.286 34 residues pruned to eliminate duplicates Z: 31 27.772 1.942 0.634 0.665 1.000 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 32 27.197 1.938 0.599 0.652 0.968 0.677 CB 1.414 32 residues pruned to eliminate duplicates Z: 8 4.348 1.785 0.142 0.375 1.000 0.286 CB 0.921 Z: 6 2.710 1.667 0.253 0.539 1.000 0.400 CB 0.558 6 residues pruned to eliminate duplicates Z: 22 12.583 1.935 0.509 0.371 0.905 0.619 CB 1.193 22 residues pruned to eliminate duplicates Z: 6 2.598 1.744 0.182 0.142 0.800 0.400 CB 1.097 Z: 7 5.180 1.828 0.571 0.407 1.000 0.500 CB 0.812 7 residues pruned to eliminate duplicates Z: 43 23.418 2.062 0.622 0.322 0.881 0.548 CB 1.492 43 residues pruned to eliminate duplicates Z: 17 13.986 2.076 0.609 0.410 0.875 0.625 CB 1.315 17 residues pruned to eliminate duplicates Z: 49 28.709 1.967 0.697 0.526 0.917 0.521 CB 1.320 74 residues pruned to eliminate duplicates Z: 7 13.493 1.963 0.556 0.572 1.000 0.667 N 1.682 7 residues pruned to eliminate duplicates Z: 37 23.886 2.147 0.632 0.358 0.889 0.611 CB 1.490 37 residues pruned to eliminate duplicates Z: 42 22.453 2.086 0.538 0.334 0.902 0.512 CB 1.452 42 residues pruned to eliminate duplicates Z: 54 23.064 1.948 0.585 0.380 0.849 0.528 CB 1.373 54 residues pruned to eliminate duplicates Z: 44 20.924 2.024 0.553 0.345 0.860 0.512 CB 1.397 44 residues pruned to eliminate duplicates Z: 15 10.712 2.071 0.553 0.400 0.786 0.714 CB 1.259 15 residues pruned to eliminate duplicates Z: 17 13.977 2.069 0.565 0.360 0.875 0.688 CB 1.434 17 residues pruned to eliminate duplicates Z: 36 18.398 2.072 0.617 0.277 0.771 0.457 CB 1.549 36 residues pruned to eliminate duplicates Z: 39 22.321 2.073 0.513 0.337 0.947 0.526 CB 1.455 39 residues pruned to eliminate duplicates Z: 42 23.780 2.071 0.657 0.317 0.902 0.512 CB 1.469 42 residues pruned to eliminate duplicates Z: 26 20.600 2.117 0.574 0.328 0.920 0.520 CB 1.624 26 residues pruned to eliminate duplicates Z: 32 17.506 2.068 0.459 0.308 0.871 0.548 CB 1.481 32 residues pruned to eliminate duplicates Z: 44 21.945 2.073 0.562 0.316 0.907 0.558 CB 1.396 44 residues pruned to eliminate duplicates Z: 38 25.669 2.104 0.640 0.376 0.946 0.676 CB 1.476 38 residues pruned to eliminate duplicates Z: 38 24.551 2.147 0.553 0.355 0.919 0.649 CB 1.541 38 residues pruned to eliminate duplicates Z: 31 19.054 2.104 0.502 0.320 0.933 0.567 CB 1.438 31 residues pruned to eliminate duplicates Z: 39 22.420 2.066 0.490 0.350 0.921 0.526 CB 1.508 39 residues pruned to eliminate duplicates Z: 48 23.951 2.043 0.612 0.330 0.915 0.553 CB 1.396 48 residues pruned to eliminate duplicates Z: 42 22.981 2.065 0.559 0.334 0.927 0.634 CB 1.443 42 residues pruned to eliminate duplicates Z: 41 26.647 2.092 0.768 0.342 0.900 0.675 CB 1.503 41 residues pruned to eliminate duplicates Z: 42 23.401 2.041 0.669 0.348 0.902 0.585 CB 1.402 42 residues pruned to eliminate duplicates Z: 42 24.702 2.107 0.628 0.345 0.902 0.610 CB 1.474 42 residues pruned to eliminate duplicates Z: 38 24.606 2.085 0.673 0.338 0.946 0.622 CB 1.462 38 residues pruned to eliminate duplicates Z: 36 20.470 2.045 0.713 0.330 0.857 0.629 CB 1.388 36 residues pruned to eliminate duplicates Z: 73 35.478 2.024 0.602 0.474 0.944 0.736 CB 1.402 73 residues pruned to eliminate duplicates Z: 54 23.738 2.008 0.693 0.302 0.906 0.604 CB 1.321 54 residues pruned to eliminate duplicates Z: 13 15.682 1.969 1.042 0.397 0.917 0.583 CA 1.369 13 residues pruned to eliminate duplicates Z: 32 19.066 2.072 0.562 0.284 0.871 0.645 CB 1.549 32 residues pruned to eliminate duplicates Z: 19 15.260 2.030 0.637 0.367 0.833 0.667 CB 1.497 19 residues pruned to eliminate duplicates Z: 37 24.453 2.130 0.578 0.351 0.889 0.583 CB 1.604 37 residues pruned to eliminate duplicates Z: 13 13.462 2.061 0.617 0.402 0.833 0.750 CA 1.551 13 residues pruned to eliminate duplicates Z: 13 13.413 2.020 0.614 0.395 0.917 0.750 CA 1.447 13 residues pruned to eliminate duplicates Z: 27 13.401 1.901 0.677 0.351 0.731 0.462 CB 1.327 27 residues pruned to eliminate duplicates Z: 43 25.523 2.120 0.654 0.361 0.929 0.690 CB 1.405 43 residues pruned to eliminate duplicates Z: 24 12.203 1.889 0.719 0.315 0.739 0.565 CB 1.301 24 residues pruned to eliminate duplicates Z: 9 4.796 1.844 0.846 0.283 0.875 0.500 CB 0.727 9 residues pruned to eliminate duplicates Z: 24 13.517 1.822 0.564 0.429 0.826 0.522 CB 1.290 24 residues pruned to eliminate duplicates Z: 25 10.663 1.791 0.274 0.382 0.833 0.417 CB 1.297 25 residues pruned to eliminate duplicates Z: 15 14.190 1.931 0.651 0.492 0.857 0.571 CA 1.399 15 residues pruned to eliminate duplicates Z: 55 26.748 2.056 0.626 0.379 0.870 0.556 CB 1.423 55 residues pruned to eliminate duplicates Z: 15 17.426 1.981 0.814 0.530 0.857 0.643 CB 1.468 15 residues pruned to eliminate duplicates Z: 19 9.327 1.773 0.518 0.471 0.778 0.444 CB 1.081 19 residues pruned to eliminate duplicates Z: 26 9.738 1.651 0.716 0.315 0.720 0.320 CB 1.172 20 residues pruned to eliminate duplicates Z: 10 14.005 1.610 0.873 0.859 1.000 0.556 CB 1.139 10 residues pruned to eliminate duplicates Z: 11 10.180 1.802 0.842 0.560 0.800 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 15 17.802 1.944 0.986 0.470 0.929 0.429 CA 1.368 15 residues pruned to eliminate duplicates Z: 26 13.237 1.843 0.516 0.446 0.880 0.480 CB 1.139 26 residues pruned to eliminate duplicates Z: 13 14.055 1.853 0.883 0.590 0.917 0.500 CB 1.163 13 residues pruned to eliminate duplicates Z: 28 13.846 1.821 0.511 0.390 0.852 0.481 CB 1.277 28 residues pruned to eliminate duplicates Z: 28 14.370 1.815 0.624 0.421 0.815 0.370 CB 1.250 28 residues pruned to eliminate duplicates Z: 29 10.757 1.743 0.445 0.380 0.786 0.393 CB 1.167 29 residues pruned to eliminate duplicates Z: 8 5.479 1.623 0.271 0.394 1.000 0.286 N 1.123 8 residues pruned to eliminate duplicates Z: 7 6.405 1.848 0.609 0.377 0.833 0.167 CB 1.204 7 residues pruned to eliminate duplicates Z: 10 5.256 1.644 0.601 0.276 0.667 0.111 N 1.286 10 residues pruned to eliminate duplicates Z: 9 3.852 1.672 0.505 0.275 0.625 0.250 N 1.117 9 residues pruned to eliminate duplicates Z: 12 5.575 1.710 0.727 0.213 0.727 0.182 CB 1.098 15 residues pruned to eliminate duplicates Z: 7 3.951 1.510 0.477 0.400 0.833 0.667 CA 0.965 4 residues pruned to eliminate duplicates Z: 6 3.461 1.594 0.782 0.348 1.000 0.200 CA 0.642 6 residues pruned to eliminate duplicates Z: 21 8.668 1.735 0.296 0.343 0.850 0.350 CB 1.204 32 residues pruned to eliminate duplicates Z: 10 8.535 1.864 0.159 0.502 1.000 0.556 CA 1.313 10 residues pruned to eliminate duplicates Z: 10 10.638 1.878 0.497 0.455 1.000 0.444 CA 1.320 12 residues pruned to eliminate duplicates Z: 9 5.061 1.623 0.346 0.619 0.875 0.375 CB 0.836 9 residues pruned to eliminate duplicates Z: 24 12.035 1.707 0.456 0.495 0.913 0.565 CB 1.111 24 residues pruned to eliminate duplicates Z: 12 10.354 1.687 0.507 0.719 0.909 0.818 CB 1.108 Z: 11 13.313 1.549 0.562 0.831 1.000 0.900 N 1.308 11 residues pruned to eliminate duplicates Z: 9 12.252 1.670 0.700 0.888 1.000 0.625 CB 1.099 9 residues pruned to eliminate duplicates Z: 22 12.079 1.726 0.446 0.522 0.952 0.476 CB 1.086 34 residues pruned to eliminate duplicates Z: 20 10.738 1.695 0.622 0.517 0.842 0.368 CB 1.047 20 residues pruned to eliminate duplicates Z: 24 15.161 1.729 0.687 0.459 0.826 0.609 CB 1.368 38 residues pruned to eliminate duplicates Z: 21 13.133 1.783 0.536 0.498 0.850 0.450 CB 1.263 21 residues pruned to eliminate duplicates Z: 9 4.320 1.408 0.164 0.548 0.875 0.625 N 1.017 6 residues pruned to eliminate duplicates Z: 7 4.647 1.799 0.234 0.305 0.833 0.667 CB 1.273 7 residues pruned to eliminate duplicates Z: 18 7.371 1.818 0.312 0.355 0.765 0.529 CB 1.147 18 residues pruned to eliminate duplicates Z: 19 8.564 1.838 0.232 0.418 0.833 0.611 CB 1.165 17 residues pruned to eliminate duplicates Z: 6 4.396 1.443 0.421 0.350 1.000 0.600 N 1.127 6 residues pruned to eliminate duplicates Z: 21 9.092 1.840 0.175 0.412 0.850 0.650 CB 1.214 19 residues pruned to eliminate duplicates 6 1.985 1.533 -0.201 0.355 1.000 0.400 N 0.848 ? Z: 6 3.896 1.348 0.148 0.818 1.000 0.800 CA 0.854 Z: 7 5.053 1.442 0.472 0.564 0.833 0.833 CA 1.096 5 residues pruned to eliminate duplicates Z: 6 5.729 1.702 0.518 0.466 0.800 0.600 CA 1.283 7 residues pruned to eliminate duplicates Z: 13 20.458 2.004 0.521 0.906 1.000 0.667 CB 1.378 Z: 14 22.922 1.969 0.783 0.868 0.923 0.692 CB 1.434 27 residues pruned to eliminate duplicates Z: 13 26.768 2.026 0.953 0.829 1.000 0.750 CB 1.469 13 residues pruned to eliminate duplicates Z: 13 20.452 1.985 0.854 0.753 0.917 0.417 CB 1.397 Z: 15 22.944 1.863 0.820 0.898 1.000 0.714 CB 1.293 28 residues pruned to eliminate duplicates Z: 13 27.196 2.047 0.873 0.902 1.000 0.750 CB 1.460 13 residues pruned to eliminate duplicates Z: 14 22.166 1.974 0.922 0.819 0.923 0.615 CB 1.332 Z: 13 20.371 1.997 0.904 0.771 0.917 0.667 CB 1.327 27 residues pruned to eliminate duplicates Z: 13 24.416 2.068 0.758 0.900 0.917 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 15 22.625 1.889 0.899 0.823 1.000 0.714 CB 1.275 15 residues pruned to eliminate duplicates Z: 13 23.854 2.023 0.712 0.842 1.000 0.833 CB 1.481 13 residues pruned to eliminate duplicates Z: 16 16.979 1.804 0.944 0.731 0.867 0.600 CB 1.172 16 residues pruned to eliminate duplicates Z: 12 10.271 1.760 0.556 0.731 1.000 0.909 CB 0.918 12 residues pruned to eliminate duplicates Z: 11 14.205 1.763 0.796 0.824 0.900 0.600 CB 1.190 11 residues pruned to eliminate duplicates Z: 13 11.616 1.803 0.853 0.765 0.917 0.750 CB 0.865 13 residues pruned to eliminate duplicates Z: 19 11.108 1.693 0.885 0.597 0.778 0.556 CB 0.962 19 residues pruned to eliminate duplicates Z: 11 13.458 1.811 1.092 0.827 1.000 0.900 CB 0.846 11 residues pruned to eliminate duplicates Z: 11 15.195 1.778 0.970 0.840 0.900 0.600 CB 1.137 11 residues pruned to eliminate duplicates Z: 11 13.649 1.825 1.034 0.811 1.000 0.600 CB 0.887 11 residues pruned to eliminate duplicates Z: 11 12.980 1.813 1.037 0.817 1.000 0.900 CB 0.844 11 residues pruned to eliminate duplicates Z: 12 14.289 1.840 0.914 0.835 1.000 0.818 CB 0.916 13 residues pruned to eliminate duplicates Z: 12 12.106 1.732 0.831 0.883 1.000 0.818 CB 0.832 12 residues pruned to eliminate duplicates Z: 30 14.833 1.713 0.691 0.634 0.828 0.483 CB 1.013 45 residues pruned to eliminate duplicates Z: 14 13.692 1.739 0.848 0.873 1.000 0.692 CB 0.861 14 residues pruned to eliminate duplicates Z: 32 14.248 1.748 0.507 0.595 0.903 0.452 CB 0.983 32 residues pruned to eliminate duplicates Z: 25 17.007 1.773 0.883 0.592 0.875 0.542 CB 1.088 25 residues pruned to eliminate duplicates Z: 15 10.830 1.781 0.480 0.511 0.857 0.500 CB 1.267 15 residues pruned to eliminate duplicates Z: 8 6.076 1.712 0.404 0.432 0.857 0.571 CB 1.195 8 residues pruned to eliminate duplicates Z: 7 9.271 1.839 0.552 0.501 1.000 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 18 9.115 1.672 0.443 0.408 0.882 0.294 CB 1.144 20 residues pruned to eliminate duplicates Z: 6 7.836 1.545 0.610 0.657 1.000 0.800 O 1.218 6 residues pruned to eliminate duplicates Z: 10 6.294 1.583 0.419 0.404 0.889 0.667 CB 1.163 9 residues pruned to eliminate duplicates Z: 6 4.058 1.661 0.517 0.254 0.800 0.600 C 1.194 6 residues pruned to eliminate duplicates Z: 26 18.655 1.847 0.625 0.450 0.920 0.600 CB 1.422 24 residues pruned to eliminate duplicates Z: 7 5.742 1.628 0.448 0.428 0.833 0.333 CB 1.285 7 residues pruned to eliminate duplicates Z: 23 19.496 1.934 0.466 0.492 0.955 0.636 CB 1.548 23 residues pruned to eliminate duplicates Z: 18 18.400 1.906 0.574 0.646 0.882 0.765 CB 1.471 18 residues pruned to eliminate duplicates Z: 24 16.215 1.866 0.533 0.428 0.913 0.609 CB 1.394 24 residues pruned to eliminate duplicates Z: 21 17.699 1.923 0.621 0.499 0.850 0.600 CB 1.495 21 residues pruned to eliminate duplicates Z: 25 13.792 1.802 0.382 0.474 0.875 0.500 CB 1.326 25 residues pruned to eliminate duplicates Z: 21 15.063 1.942 0.380 0.410 0.900 0.450 CB 1.535 21 residues pruned to eliminate duplicates Z: 18 18.652 1.875 0.658 0.620 0.941 0.588 CB 1.381 18 residues pruned to eliminate duplicates Z: 22 14.726 1.877 0.497 0.443 0.857 0.333 CB 1.416 22 residues pruned to eliminate duplicates Z: 24 15.259 1.837 0.649 0.417 0.826 0.348 CB 1.387 24 residues pruned to eliminate duplicates Z: 24 16.300 1.880 0.543 0.423 0.870 0.565 CB 1.460 24 residues pruned to eliminate duplicates Z: 33 15.282 1.803 0.573 0.377 0.812 0.375 CB 1.337 39 residues pruned to eliminate duplicates Z: 10 9.227 1.545 0.608 0.831 0.889 0.778 CB 1.046 Z: 10 16.020 1.678 0.679 0.844 1.000 0.778 CA 1.410 10 residues pruned to eliminate duplicates Z: 6 2.601 1.522 0.362 0.324 0.800 0.600 N 0.851 6 residues pruned to eliminate duplicates Z: 35 20.565 1.873 0.465 0.554 0.971 0.794 CB 1.257 35 residues pruned to eliminate duplicates Z: 28 20.521 1.982 0.494 0.551 0.926 0.667 CA 1.371 38 residues pruned to eliminate duplicates Z: 7 4.857 1.293 1.224 0.328 1.000 0.500 CA 0.833 7 residues pruned to eliminate duplicates Z: 38 22.354 1.880 0.413 0.620 0.946 0.784 CB 1.306 38 residues pruned to eliminate duplicates Z: 29 19.864 1.946 0.491 0.574 0.964 0.857 CA 1.250 29 residues pruned to eliminate duplicates Z: 30 20.216 1.938 0.360 0.614 0.966 0.793 CA 1.324 30 residues pruned to eliminate duplicates Z: 43 22.838 1.867 0.400 0.596 0.929 0.643 CB 1.325 43 residues pruned to eliminate duplicates Z: 29 18.519 1.949 0.422 0.550 0.929 0.679 CA 1.295 29 residues pruned to eliminate duplicates Z: 40 21.509 1.879 0.451 0.573 0.923 0.692 CB 1.275 40 residues pruned to eliminate duplicates Z: 28 21.768 1.973 0.595 0.566 0.926 0.704 CA 1.349 28 residues pruned to eliminate duplicates Z: 17 20.043 1.950 0.515 0.788 1.000 0.812 CB 1.316 17 residues pruned to eliminate duplicates Z: 38 24.121 1.929 0.425 0.631 0.973 0.757 CB 1.311 38 residues pruned to eliminate duplicates Z: 42 24.239 1.868 0.435 0.655 0.951 0.707 CB 1.284 42 residues pruned to eliminate duplicates Z: 20 17.309 1.819 0.325 0.839 1.000 0.789 CA 1.231 20 residues pruned to eliminate duplicates Z: 33 15.983 1.895 0.453 0.496 0.812 0.594 CA 1.268 33 residues pruned to eliminate duplicates Z: 38 25.549 1.899 0.432 0.677 0.973 0.730 CB 1.348 38 residues pruned to eliminate duplicates Z: 37 26.618 1.929 0.609 0.636 0.944 0.694 CB 1.333 37 residues pruned to eliminate duplicates Z: 34 21.706 1.861 0.462 0.588 0.970 0.727 CA 1.316 31 residues pruned to eliminate duplicates Z: 19 22.942 1.848 0.645 0.878 1.000 0.611 CB 1.290 19 residues pruned to eliminate duplicates Z: 30 21.305 1.902 0.512 0.682 0.966 0.690 CB 1.206 30 residues pruned to eliminate duplicates Z: 41 26.011 1.869 0.486 0.620 0.975 0.675 CB 1.356 41 residues pruned to eliminate duplicates Z: 35 22.105 1.879 0.577 0.633 0.912 0.765 CB 1.238 35 residues pruned to eliminate duplicates Z: 59 32.853 1.874 0.591 0.591 0.983 0.690 CB 1.349 92 residues pruned to eliminate duplicates Z: 20 21.113 1.837 0.557 0.879 1.000 0.684 CB 1.228 20 residues pruned to eliminate duplicates Z: 36 21.590 1.875 0.590 0.502 1.000 0.600 CB 1.222 36 residues pruned to eliminate duplicates Z: 45 23.038 1.826 0.532 0.552 0.955 0.659 CB 1.237 45 residues pruned to eliminate duplicates Z: 31 22.961 1.901 0.622 0.653 0.933 0.700 CB 1.263 31 residues pruned to eliminate duplicates Z: 62 28.287 1.838 0.568 0.518 0.984 0.623 CB 1.255 67 residues pruned to eliminate duplicates Z: 23 19.098 1.793 0.661 0.763 0.955 0.682 CB 1.134 23 residues pruned to eliminate duplicates Z: 34 20.849 1.830 0.627 0.599 0.939 0.667 CB 1.180 40 residues pruned to eliminate duplicates Z: 7 5.330 1.369 0.514 0.443 1.000 0.833 N 1.113 7 residues pruned to eliminate duplicates Z: 7 3.214 1.175 0.657 0.527 0.833 0.500 N 0.787 Z: 6 3.068 1.375 0.662 0.320 0.800 0.600 CA 0.915 Z: 7 3.978 1.551 0.687 0.335 0.667 0.333 CA 1.116 7 residues pruned to eliminate duplicates Z: 27 23.971 1.854 0.605 0.629 0.962 0.538 CA 1.455 40 residues pruned to eliminate duplicates Z: 11 11.267 1.737 0.549 0.610 0.900 0.700 CA 1.326 Z: 7 4.859 1.322 0.873 0.481 1.000 0.667 N 0.816 7 residues pruned to eliminate duplicates Z: 40 24.952 1.838 0.683 0.655 0.923 0.641 CB 1.211 59 residues pruned to eliminate duplicates Z: 21 14.737 1.845 0.676 0.629 0.900 0.550 CB 1.048 Z: 6 2.216 1.024 0.977 0.421 0.800 0.600 O 0.664 6 residues pruned to eliminate duplicates Z: 21 14.913 1.855 0.476 0.655 0.950 0.650 CB 1.110 21 residues pruned to eliminate duplicates Z: 6 4.210 1.366 0.365 0.425 1.000 0.800 N 1.091 6 residues pruned to eliminate duplicates Z: 14 7.635 1.706 0.558 0.433 0.769 0.615 CB 1.111 10 residues pruned to eliminate duplicates Z: 11 9.849 1.817 0.453 0.587 0.900 0.700 CB 1.206 11 residues pruned to eliminate duplicates Z: 36 19.851 1.816 0.639 0.590 0.914 0.600 CB 1.132 61 residues pruned to eliminate duplicates Z: 33 19.627 1.838 0.544 0.623 0.938 0.656 CB 1.162 33 residues pruned to eliminate duplicates Z: 10 9.515 1.786 0.491 0.638 1.000 0.667 CB 1.046 Z: 6 6.541 1.843 0.044 0.579 1.000 0.600 CA 1.409 Z: 7 6.517 1.797 0.170 0.562 0.833 0.667 CA 1.430 7 residues pruned to eliminate duplicates Z: 6 6.771 1.761 0.370 0.640 0.800 0.600 O 1.376 6 residues pruned to eliminate duplicates Z: 6 6.744 1.697 0.462 0.698 1.000 0.600 CA 1.015 6 residues pruned to eliminate duplicates Z: 7 5.085 1.582 0.394 0.520 0.833 0.333 CA 1.107 7 residues pruned to eliminate duplicates Z: 21 22.253 1.930 0.480 0.760 1.000 0.800 CB 1.382 6 residues pruned to eliminate duplicates Z: 19 18.824 1.779 0.565 0.804 1.000 0.833 CB 1.223 16 residues pruned to eliminate duplicates Z: 18 19.443 1.817 0.553 0.882 0.941 0.765 CB 1.285 18 residues pruned to eliminate duplicates Z: 24 20.177 1.954 0.529 0.625 0.913 0.783 CB 1.370 24 residues pruned to eliminate duplicates Z: 29 23.905 1.898 0.567 0.705 0.929 0.786 CB 1.358 22 residues pruned to eliminate duplicates Z: 15 18.070 1.953 0.446 0.914 1.000 0.929 CB 1.210 15 residues pruned to eliminate duplicates Z: 30 22.931 1.882 0.579 0.684 0.931 0.793 CB 1.300 29 residues pruned to eliminate duplicates Z: 16 22.607 1.952 0.639 0.929 1.000 1.000 CB 1.278 18 residues pruned to eliminate duplicates Z: 16 19.428 1.930 0.504 0.912 1.000 1.000 CB 1.224 16 residues pruned to eliminate duplicates Z: 38 15.230 1.732 0.325 0.586 0.865 0.676 CB 1.161 38 residues pruned to eliminate duplicates Z: 29 22.318 1.827 0.542 0.685 0.964 0.893 CB 1.310 29 residues pruned to eliminate duplicates Z: 17 22.071 1.905 0.526 0.943 1.000 0.938 CB 1.315 17 residues pruned to eliminate duplicates Z: 26 21.768 1.871 0.509 0.604 0.960 0.840 CB 1.455 26 residues pruned to eliminate duplicates Z: 30 24.575 1.876 0.465 0.726 1.000 0.862 CB 1.354 30 residues pruned to eliminate duplicates Z: 14 22.694 2.016 0.595 0.940 1.000 1.000 CB 1.359 14 residues pruned to eliminate duplicates Z: 34 21.834 1.783 0.551 0.655 0.909 0.727 CB 1.308 34 residues pruned to eliminate duplicates Z: 45 21.604 1.784 0.489 0.532 0.909 0.727 CB 1.307 45 residues pruned to eliminate duplicates Z: 28 20.176 1.838 0.646 0.543 0.852 0.667 CB 1.445 28 residues pruned to eliminate duplicates Z: 23 6.969 1.641 0.360 0.473 0.773 0.455 CB 0.886 14 residues pruned to eliminate duplicates Z: 9 7.746 1.770 0.383 0.721 1.000 0.750 CB 0.916 9 residues pruned to eliminate duplicates Z: 16 9.065 1.648 0.628 0.545 0.867 0.667 CB 0.963 14 residues pruned to eliminate duplicates Z: 12 7.264 1.448 0.441 0.759 1.000 0.818 CB 0.834 12 residues pruned to eliminate duplicates Z: 21 9.195 1.619 0.442 0.569 1.000 0.550 CB 0.823 25 residues pruned to eliminate duplicates Z: 6 6.283 1.763 0.250 0.694 0.800 0.800 CB 1.335 6 residues pruned to eliminate duplicates Z: 12 5.753 1.695 0.352 0.481 0.818 0.636 CB 0.944 12 residues pruned to eliminate duplicates Z: 43 19.216 2.013 0.480 0.382 0.857 0.548 CB 1.316 46 residues pruned to eliminate duplicates Z: 7 7.825 1.720 0.336 0.415 1.000 0.167 CB 1.519 7 residues pruned to eliminate duplicates Z: 46 19.574 2.006 0.470 0.354 0.867 0.556 CB 1.338 46 residues pruned to eliminate duplicates Z: 37 21.556 2.042 0.524 0.406 0.889 0.444 CB 1.434 37 residues pruned to eliminate duplicates Z: 40 24.561 2.048 0.614 0.376 0.923 0.513 CB 1.472 40 residues pruned to eliminate duplicates Z: 37 22.573 2.096 0.641 0.336 0.917 0.556 CB 1.428 37 residues pruned to eliminate duplicates Z: 37 23.026 2.096 0.538 0.407 0.917 0.611 CB 1.433 37 residues pruned to eliminate duplicates Z: 38 17.837 2.065 0.486 0.370 0.838 0.486 CB 1.311 38 residues pruned to eliminate duplicates Z: 36 22.170 2.110 0.528 0.365 0.943 0.629 CB 1.424 36 residues pruned to eliminate duplicates Z: 34 20.765 2.094 0.523 0.370 0.939 0.606 CB 1.387 34 residues pruned to eliminate duplicates Z: 37 22.082 2.059 0.608 0.397 0.861 0.583 CB 1.439 37 residues pruned to eliminate duplicates Z: 43 20.597 2.030 0.501 0.344 0.881 0.643 CB 1.403 43 residues pruned to eliminate duplicates Z: 39 20.471 2.009 0.619 0.424 0.816 0.632 CB 1.354 39 residues pruned to eliminate duplicates Z: 35 21.351 2.112 0.536 0.370 0.941 0.618 CB 1.379 35 residues pruned to eliminate duplicates Z: 34 17.117 2.048 0.505 0.286 0.909 0.455 CB 1.353 34 residues pruned to eliminate duplicates Z: 35 22.584 2.115 0.587 0.388 0.912 0.735 CB 1.425 35 residues pruned to eliminate duplicates Z: 43 21.051 2.053 0.441 0.398 0.905 0.619 CB 1.352 54 residues pruned to eliminate duplicates Z: 8 5.772 1.719 0.868 0.436 0.857 0.000 CB 0.847 8 residues pruned to eliminate duplicates Z: 38 22.438 2.007 0.685 0.338 0.919 0.514 CB 1.417 38 residues pruned to eliminate duplicates Z: 44 20.296 1.979 0.498 0.344 0.907 0.488 CB 1.363 44 residues pruned to eliminate duplicates Z: 67 23.679 1.902 0.679 0.420 0.864 0.636 CB 1.148 55 residues pruned to eliminate duplicates Z: 7 11.807 1.975 0.689 0.435 1.000 0.833 CB 1.545 7 residues pruned to eliminate duplicates Z: 38 24.267 2.090 0.694 0.383 0.892 0.676 CB 1.432 38 residues pruned to eliminate duplicates Z: 28 17.688 2.125 0.601 0.303 0.889 0.593 CB 1.402 28 residues pruned to eliminate duplicates Z: 36 22.142 2.040 0.616 0.379 0.971 0.600 CB 1.330 36 residues pruned to eliminate duplicates Z: 37 22.931 2.064 0.569 0.388 0.889 0.528 CB 1.494 37 residues pruned to eliminate duplicates Z: 42 24.280 2.042 0.739 0.357 0.902 0.585 CB 1.381 42 residues pruned to eliminate duplicates Z: 34 25.479 2.166 0.785 0.365 0.939 0.697 CB 1.412 34 residues pruned to eliminate duplicates Z: 18 11.970 2.048 0.584 0.352 0.824 0.706 CB 1.276 18 residues pruned to eliminate duplicates Z: 13 11.355 1.981 0.748 0.354 0.833 0.667 CA 1.330 13 residues pruned to eliminate duplicates Z: 39 22.197 2.073 0.674 0.313 0.921 0.605 CB 1.385 39 residues pruned to eliminate duplicates Z: 39 17.012 1.951 0.557 0.322 0.868 0.500 CB 1.273 39 residues pruned to eliminate duplicates Z: 40 25.994 2.079 0.713 0.396 0.923 0.590 CB 1.413 40 residues pruned to eliminate duplicates Z: 41 21.976 2.057 0.749 0.352 0.850 0.550 CB 1.333 41 residues pruned to eliminate duplicates Z: 41 19.561 2.039 0.613 0.322 0.900 0.550 CB 1.271 41 residues pruned to eliminate duplicates Z: 10 7.128 1.658 0.736 0.300 0.778 0.333 CB 1.327 10 residues pruned to eliminate duplicates Z: 44 20.775 1.980 0.570 0.339 0.884 0.581 CB 1.374 44 residues pruned to eliminate duplicates Z: 9 5.327 1.656 0.514 0.374 0.750 0.250 CB 1.146 9 residues pruned to eliminate duplicates Z: 17 11.473 1.676 0.575 0.539 0.875 0.625 CB 1.195 17 residues pruned to eliminate duplicates Z: 22 10.634 1.733 0.447 0.457 0.857 0.476 CB 1.128 22 residues pruned to eliminate duplicates Z: 21 10.820 1.749 0.496 0.525 0.800 0.550 CB 1.128 21 residues pruned to eliminate duplicates Z: 25 11.548 1.727 0.463 0.403 0.875 0.500 CB 1.180 25 residues pruned to eliminate duplicates Z: 26 10.275 1.697 0.323 0.387 0.880 0.480 CB 1.173 26 residues pruned to eliminate duplicates Z: 23 11.799 1.721 0.480 0.458 0.864 0.591 CB 1.193 23 residues pruned to eliminate duplicates Z: 23 13.739 1.735 0.556 0.470 0.955 0.591 CB 1.172 23 residues pruned to eliminate duplicates Z: 23 10.277 1.709 0.388 0.481 0.864 0.455 CB 1.091 23 residues pruned to eliminate duplicates Z: 23 10.021 1.697 0.510 0.469 0.773 0.455 CB 1.113 23 residues pruned to eliminate duplicates Z: 23 12.166 1.717 0.577 0.466 0.818 0.545 CB 1.213 23 residues pruned to eliminate duplicates Z: 20 11.511 1.748 0.292 0.517 0.947 0.579 CB 1.213 20 residues pruned to eliminate duplicates Z: 24 12.684 1.704 0.500 0.455 0.870 0.435 CB 1.246 26 residues pruned to eliminate duplicates Z: 6 2.945 1.491 0.456 0.372 1.000 0.400 CB 0.696 Z: 6 5.582 1.712 0.401 0.473 1.000 0.600 CB 1.071 6 residues pruned to eliminate duplicates Z: 6 4.003 1.276 0.778 0.433 0.800 0.600 C 1.057 Z: 8 3.949 1.443 0.784 0.374 0.857 0.571 CB 0.774 8 residues pruned to eliminate duplicates Z: 44 26.530 1.960 0.609 0.593 0.907 0.651 CB 1.294 44 residues pruned to eliminate duplicates Z: 30 21.903 1.956 0.370 0.559 0.931 0.655 CB 1.540 30 residues pruned to eliminate duplicates Z: 32 23.759 1.941 0.568 0.581 0.903 0.710 CB 1.436 32 residues pruned to eliminate duplicates Z: 29 26.033 2.019 0.602 0.601 0.929 0.750 CB 1.487 29 residues pruned to eliminate duplicates Z: 18 13.065 1.895 0.361 0.727 0.882 0.765 CB 1.135 18 residues pruned to eliminate duplicates Z: 48 30.154 2.017 0.464 0.583 0.957 0.723 CB 1.437 48 residues pruned to eliminate duplicates Z: 44 31.277 2.041 0.509 0.572 0.953 0.767 CB 1.516 44 residues pruned to eliminate duplicates Z: 46 31.847 2.054 0.491 0.574 0.933 0.756 CB 1.546 46 residues pruned to eliminate duplicates Z: 43 35.269 2.037 0.716 0.572 0.976 0.738 CB 1.487 43 residues pruned to eliminate duplicates Z: 62 32.197 1.994 0.568 0.481 0.918 0.639 CB 1.464 80 residues pruned to eliminate duplicates Z: 20 25.312 1.954 0.580 0.848 1.000 0.684 CA 1.396 20 residues pruned to eliminate duplicates Z: 46 34.028 2.034 0.550 0.622 0.956 0.667 CB 1.501 46 residues pruned to eliminate duplicates Z: 46 32.220 2.023 0.556 0.586 0.956 0.667 CB 1.470 46 residues pruned to eliminate duplicates Z: 44 33.915 2.024 0.641 0.573 0.953 0.651 CB 1.523 44 residues pruned to eliminate duplicates Z: 46 33.596 2.012 0.630 0.552 0.978 0.667 CB 1.484 46 residues pruned to eliminate duplicates Z: 44 36.523 2.025 0.741 0.585 0.977 0.698 CB 1.490 44 residues pruned to eliminate duplicates Z: 47 34.400 2.023 0.572 0.590 0.978 0.652 CB 1.496 47 residues pruned to eliminate duplicates Z: 47 29.888 2.005 0.573 0.548 0.957 0.674 CB 1.394 53 residues pruned to eliminate duplicates Z: 46 36.744 2.042 0.675 0.589 0.978 0.867 CB 1.504 46 residues pruned to eliminate duplicates Z: 52 36.036 2.019 0.641 0.529 0.980 0.784 CB 1.509 65 residues pruned to eliminate duplicates Z: 21 32.464 1.935 0.886 0.871 1.000 0.750 CA 1.450 21 residues pruned to eliminate duplicates Z: 46 34.110 2.039 0.617 0.601 0.933 0.689 CB 1.500 46 residues pruned to eliminate duplicates Z: 48 25.647 1.996 0.580 0.448 0.915 0.553 CB 1.369 48 residues pruned to eliminate duplicates Z: 45 35.048 2.032 0.629 0.601 0.955 0.614 CB 1.519 45 residues pruned to eliminate duplicates Z: 48 34.476 2.018 0.682 0.564 0.957 0.660 CB 1.455 48 residues pruned to eliminate duplicates Z: 50 30.201 1.973 0.632 0.542 0.918 0.510 CB 1.400 56 residues pruned to eliminate duplicates Z: 41 28.197 1.973 0.495 0.571 0.975 0.600 CB 1.448 41 residues pruned to eliminate duplicates Z: 46 34.712 2.033 0.570 0.601 0.956 0.756 CB 1.540 46 residues pruned to eliminate duplicates Z: 41 18.752 1.943 0.487 0.455 0.825 0.400 CB 1.302 41 residues pruned to eliminate duplicates Z: 42 33.778 2.042 0.592 0.605 0.976 0.756 CB 1.506 42 residues pruned to eliminate duplicates Z: 50 31.997 2.039 0.555 0.540 0.939 0.653 CB 1.476 50 residues pruned to eliminate duplicates 8 1.776 1.677 0.013 0.093 0.714 0.286 CB 0.932 ? Z: 35 17.123 1.908 0.544 0.431 0.912 0.471 CB 1.174 35 residues pruned to eliminate duplicates Z: 11 7.958 1.748 0.338 0.400 0.900 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 50 36.955 2.034 0.650 0.563 0.959 0.776 CB 1.542 50 residues pruned to eliminate duplicates Z: 53 36.068 1.994 0.677 0.538 0.981 0.673 CB 1.469 53 residues pruned to eliminate duplicates Z: 9 10.763 1.926 0.332 0.531 0.875 0.625 CA 1.645 9 residues pruned to eliminate duplicates Z: 29 20.787 1.917 0.655 0.470 0.857 0.536 CA 1.489 29 residues pruned to eliminate duplicates Z: 19 14.651 1.881 0.512 0.620 0.833 0.556 N 1.301 19 residues pruned to eliminate duplicates Z: 21 14.147 1.863 0.566 0.555 0.750 0.650 N 1.371 21 residues pruned to eliminate duplicates Z: 11 11.304 1.974 0.256 0.632 0.900 0.500 CA 1.415 11 residues pruned to eliminate duplicates Z: 16 12.378 1.836 0.411 0.524 0.867 0.600 N 1.391 16 residues pruned to eliminate duplicates Z: 16 11.710 1.824 0.380 0.464 0.933 0.467 N 1.335 16 residues pruned to eliminate duplicates Z: 27 26.993 1.980 0.719 0.590 0.923 0.654 CA 1.545 27 residues pruned to eliminate duplicates Z: 24 18.628 1.925 0.565 0.437 0.913 0.478 CB 1.507 24 residues pruned to eliminate duplicates Z: 49 25.212 1.884 0.520 0.584 0.958 0.604 CB 1.223 49 residues pruned to eliminate duplicates Z: 70 39.207 2.005 0.595 0.550 0.913 0.623 CB 1.539 56 residues pruned to eliminate duplicates Z: 6 3.947 1.610 1.035 0.389 0.600 0.400 CA 1.010 6 residues pruned to eliminate duplicates Z: 24 19.781 1.913 0.714 0.488 0.870 0.478 CB 1.464 23 residues pruned to eliminate duplicates Z: 6 2.498 1.535 1.151 0.211 0.800 0.200 CA 0.594 6 residues pruned to eliminate duplicates Z: 38 21.511 1.906 0.517 0.527 0.838 0.622 CB 1.421 50 residues pruned to eliminate duplicates Z: 6 9.691 1.723 1.211 0.471 1.000 0.600 CA 1.171 6 residues pruned to eliminate duplicates Z: 26 23.937 1.912 0.755 0.571 0.880 0.600 CA 1.513 26 residues pruned to eliminate duplicates Z: 12 11.407 1.841 0.730 0.563 0.818 0.545 CB 1.242 12 residues pruned to eliminate duplicates Z: 20 27.398 1.997 0.919 0.682 0.947 0.737 CA 1.465 20 residues pruned to eliminate duplicates Z: 26 16.654 1.793 0.626 0.565 0.960 0.680 CB 1.118 26 residues pruned to eliminate duplicates Z: 13 13.099 1.864 0.901 0.736 1.000 0.750 CB 0.863 Z: 6 3.334 1.359 0.374 0.255 1.000 0.000 O 1.057 7 residues pruned to eliminate duplicates Z: 6 7.182 1.458 1.120 0.455 1.000 0.800 CB 1.089 6 residues pruned to eliminate duplicates Z: 35 25.833 1.946 0.753 0.597 0.941 0.588 CB 1.258 35 residues pruned to eliminate duplicates Z: 23 18.678 1.926 0.764 0.616 0.864 0.682 CB 1.216 35 residues pruned to eliminate duplicates Z: 39 25.250 1.859 0.795 0.538 0.842 0.658 CB 1.405 39 residues pruned to eliminate duplicates Z: 31 23.827 1.945 0.773 0.579 0.900 0.533 CB 1.298 31 residues pruned to eliminate duplicates Z: 35 22.250 1.941 0.613 0.654 0.941 0.765 CB 1.123 35 residues pruned to eliminate duplicates Z: 38 23.789 1.915 0.543 0.679 0.973 0.622 CB 1.154 38 residues pruned to eliminate duplicates Z: 21 18.585 1.972 0.591 0.555 1.000 0.600 CB 1.256 21 residues pruned to eliminate duplicates Z: 33 27.852 1.983 0.727 0.716 0.969 0.812 CB 1.220 33 residues pruned to eliminate duplicates Z: 33 26.323 1.961 0.659 0.721 0.969 0.719 CB 1.209 33 residues pruned to eliminate duplicates Z: 29 23.961 1.913 0.724 0.687 0.964 0.750 CB 1.199 29 residues pruned to eliminate duplicates Z: 39 23.780 1.909 0.501 0.673 0.974 0.658 CB 1.179 39 residues pruned to eliminate duplicates Z: 39 24.338 1.880 0.667 0.666 0.974 0.658 CB 1.110 39 residues pruned to eliminate duplicates Z: 40 24.687 1.890 0.610 0.674 0.974 0.744 CB 1.136 40 residues pruned to eliminate duplicates Z: 40 25.746 1.886 0.693 0.683 0.949 0.744 CB 1.151 40 residues pruned to eliminate duplicates Z: 35 25.227 1.947 0.716 0.707 0.971 0.824 CB 1.105 35 residues pruned to eliminate duplicates Z: 40 24.308 1.869 0.612 0.671 0.974 0.744 CB 1.133 40 residues pruned to eliminate duplicates Z: 40 25.029 1.887 0.685 0.647 0.974 0.718 CB 1.128 40 residues pruned to eliminate duplicates Z: 33 26.754 1.975 0.708 0.743 1.000 0.781 CB 1.127 33 residues pruned to eliminate duplicates Z: 33 25.718 1.946 0.820 0.680 0.906 0.625 CB 1.201 33 residues pruned to eliminate duplicates Z: 39 24.760 1.906 0.614 0.709 0.947 0.789 CB 1.140 39 residues pruned to eliminate duplicates Z: 39 26.308 1.924 0.573 0.682 0.974 0.711 CB 1.225 39 residues pruned to eliminate duplicates Z: 20 17.721 1.996 0.603 0.549 0.947 0.684 CB 1.279 20 residues pruned to eliminate duplicates Z: 28 24.812 1.958 0.887 0.665 0.926 0.630 CB 1.199 28 residues pruned to eliminate duplicates Z: 33 32.293 1.985 0.895 0.745 1.000 0.781 CB 1.219 41 residues pruned to eliminate duplicates Z: 17 16.647 1.971 0.712 0.890 1.000 0.875 CB 0.887 17 residues pruned to eliminate duplicates Z: 45 24.055 1.801 0.611 0.667 0.955 0.659 CB 1.122 45 residues pruned to eliminate duplicates Z: 35 26.413 1.939 0.681 0.712 0.971 0.882 CB 1.181 35 residues pruned to eliminate duplicates Z: 40 24.074 1.891 0.537 0.674 0.949 0.718 CB 1.191 40 residues pruned to eliminate duplicates Z: 31 23.168 1.953 0.712 0.670 0.933 0.800 CB 1.159 31 residues pruned to eliminate duplicates Z: 40 26.980 1.899 0.725 0.707 0.949 0.718 CB 1.151 40 residues pruned to eliminate duplicates Z: 38 26.579 1.919 0.738 0.665 0.919 0.811 CB 1.224 38 residues pruned to eliminate duplicates Z: 40 26.221 1.889 0.682 0.678 0.949 0.795 CB 1.182 40 residues pruned to eliminate duplicates Z: 34 27.725 1.969 0.724 0.708 1.000 0.758 CB 1.177 34 residues pruned to eliminate duplicates Z: 41 26.604 1.903 0.655 0.674 0.975 0.775 CB 1.167 33 residues pruned to eliminate duplicates Z: 17 16.407 1.980 0.868 0.871 0.938 0.625 CB 0.863 17 residues pruned to eliminate duplicates Z: 39 25.291 1.907 0.581 0.696 0.974 0.737 CB 1.169 39 residues pruned to eliminate duplicates Z: 37 24.862 1.899 0.607 0.671 0.972 0.694 CB 1.192 37 residues pruned to eliminate duplicates Z: 7 3.729 1.575 0.265 0.471 0.833 0.333 CB 0.944 7 residues pruned to eliminate duplicates Z: 38 27.039 1.916 0.683 0.682 0.973 0.703 CB 1.198 38 residues pruned to eliminate duplicates Z: 39 18.492 1.819 0.520 0.600 0.895 0.632 CB 1.102 39 residues pruned to eliminate duplicates Z: 40 21.801 1.872 0.410 0.663 0.949 0.641 CB 1.198 40 residues pruned to eliminate duplicates Z: 38 23.314 1.895 0.641 0.678 0.946 0.811 CB 1.106 38 residues pruned to eliminate duplicates 687 residues left after pruning, divided into chains as follows: A: 10 B: 9 C: 25 D: 6 E: 15 F: 21 G: 15 H: 65 I: 7 J: 34 K: 7 L: 19 M: 139 N: 10 O: 91 P: 10 Q: 30 R: 73 S: 101 CC for partial structure against native data = 36.64 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.499, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.570, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.677, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.685, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.688, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.691, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.692, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.692, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3245 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 766 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 21.373 1.958 0.683 0.572 0.926 0.704 CA 1.257 B: 21 33.317 1.951 0.914 0.853 1.000 0.650 CB 1.475 C: 6 3.367 1.508 0.614 0.797 1.000 0.800 CA 0.477 D: 17 20.993 1.916 0.321 0.900 1.000 1.000 CB 1.482 E: 29 24.536 1.887 0.666 0.679 0.893 0.607 CB 1.401 F: 33 14.322 1.812 0.410 0.518 0.812 0.469 CB 1.199 G: 15 22.418 1.807 0.772 0.930 1.000 0.714 CB 1.309 16 residues pruned to eliminate duplicates H: 36 19.355 1.997 0.531 0.366 0.914 0.571 CB 1.351 I: 12 19.581 1.896 0.840 0.788 0.909 0.818 CA 1.444 J: 6 7.522 1.700 0.500 0.637 0.800 0.600 CA 1.450 K: 15 15.880 1.788 1.062 0.603 0.929 0.571 CB 1.124 L: 23 10.064 1.833 0.340 0.474 0.864 0.636 CA 1.039 M: 31 19.184 1.960 0.625 0.435 0.867 0.600 CB 1.358 30 residues pruned to eliminate duplicates N: 18 13.336 1.768 0.402 0.518 0.941 0.529 CB 1.362 17 residues pruned to eliminate duplicates O: 58 30.848 1.967 0.475 0.542 0.912 0.737 CB 1.481 21 residues pruned to eliminate duplicates P: 20 30.102 1.976 0.727 0.883 1.000 0.684 CA 1.463 20 residues pruned to eliminate duplicates Q: 10 21.344 2.103 0.941 0.835 0.889 0.444 CB 1.469 R: 44 22.723 2.066 0.605 0.327 0.884 0.605 CB 1.430 12 residues pruned to eliminate duplicates S: 18 31.882 2.026 0.765 0.886 1.000 0.765 CA 1.560 18 residues pruned to eliminate duplicates T: 12 13.848 1.745 0.915 0.533 0.909 0.636 N 1.331 U: 20 13.792 1.825 0.536 0.410 0.895 0.684 CB 1.386 V: 20 27.680 1.999 0.617 0.856 0.947 0.684 CB 1.530 20 residues pruned to eliminate duplicates W: 10 13.578 1.852 0.892 0.553 0.889 0.333 CB 1.381 X: 19 23.823 1.830 0.648 0.863 1.000 0.556 CA 1.366 Y: 17 15.104 1.907 0.937 0.874 0.875 0.562 CB 0.851 9 residues pruned to eliminate duplicates Z: 12 12.202 1.948 0.587 0.749 0.727 0.455 CB 1.310 12 residues pruned to eliminate duplicates Z: 8 13.468 1.760 0.548 0.859 1.000 0.571 CA 1.376 Z: 61 31.141 1.954 0.460 0.477 0.950 0.567 CB 1.519 69 residues pruned to eliminate duplicates Z: 8 9.194 1.848 0.181 0.842 1.000 0.571 CB 1.186 Z: 43 19.690 1.838 0.576 0.583 0.833 0.595 CB 1.162 42 residues pruned to eliminate duplicates Z: 15 19.223 1.894 0.862 0.572 1.000 0.643 CB 1.360 15 residues pruned to eliminate duplicates Z: 20 23.630 1.993 0.502 0.840 0.947 0.684 CA 1.426 20 residues pruned to eliminate duplicates Z: 6 9.518 1.556 0.695 0.818 1.000 1.000 CA 1.225 6 residues pruned to eliminate duplicates Z: 43 21.367 1.831 0.580 0.550 0.905 0.595 CB 1.199 41 residues pruned to eliminate duplicates Z: 50 22.862 2.071 0.556 0.328 0.878 0.531 CB 1.395 44 residues pruned to eliminate duplicates Z: 6 6.164 1.716 0.109 0.753 1.000 0.800 CA 1.155 Z: 6 5.975 1.985 0.373 0.384 0.800 0.600 CA 1.386 6 residues pruned to eliminate duplicates Z: 36 20.033 2.035 0.572 0.377 0.886 0.686 CB 1.363 36 residues pruned to eliminate duplicates Z: 7 6.702 1.933 0.465 0.409 0.667 0.667 CB 1.595 Z: 9 5.728 1.840 0.201 0.409 0.750 0.500 CB 1.343 Z: 10 16.053 2.076 0.595 0.810 0.778 0.444 CA 1.586 10 residues pruned to eliminate duplicates Z: 12 17.589 1.861 0.690 0.822 0.818 0.636 CA 1.559 12 residues pruned to eliminate duplicates Z: 36 23.303 2.109 0.615 0.342 0.886 0.657 CB 1.550 36 residues pruned to eliminate duplicates Z: 21 30.580 1.918 0.754 0.869 1.000 0.800 CA 1.484 21 residues pruned to eliminate duplicates Z: 15 22.679 1.848 0.809 0.902 0.929 0.571 CA 1.392 Z: 11 7.775 1.806 0.182 0.498 1.000 0.600 CB 1.155 8 residues pruned to eliminate duplicates Z: 21 15.430 1.866 0.371 0.462 0.950 0.600 CA 1.475 19 residues pruned to eliminate duplicates Z: 15 12.359 1.919 0.014 0.895 0.929 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 31 23.083 1.989 0.452 0.527 0.933 0.633 CB 1.523 31 residues pruned to eliminate duplicates Z: 10 18.380 1.962 0.688 0.775 1.000 0.667 CA 1.450 9 residues pruned to eliminate duplicates Z: 34 19.430 2.012 0.579 0.331 0.909 0.636 CB 1.409 34 residues pruned to eliminate duplicates Z: 19 16.614 1.827 0.292 0.876 0.944 0.833 CA 1.278 11 residues pruned to eliminate duplicates Z: 42 18.070 2.013 0.478 0.305 0.829 0.537 CB 1.421 42 residues pruned to eliminate duplicates Z: 16 19.754 1.704 0.842 0.898 0.867 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 48 29.636 1.986 0.531 0.552 0.915 0.660 CB 1.477 47 residues pruned to eliminate duplicates Z: 8 5.422 1.718 0.062 0.518 0.857 0.286 O 1.288 Z: 19 26.517 1.967 0.833 0.850 0.889 0.667 CB 1.445 19 residues pruned to eliminate duplicates Z: 20 22.799 1.991 0.414 0.874 1.000 0.895 CA 1.353 20 residues pruned to eliminate duplicates Z: 12 8.414 1.816 0.329 0.562 0.909 0.636 CB 1.089 Z: 12 12.064 1.767 0.723 0.410 0.909 0.364 O 1.444 12 residues pruned to eliminate duplicates Z: 16 13.937 1.709 0.558 0.671 0.933 0.800 N 1.236 Z: 38 27.117 2.008 0.389 0.617 0.946 0.811 CB 1.512 38 residues pruned to eliminate duplicates Z: 8 10.148 1.747 0.454 0.886 1.000 1.000 CB 1.090 Z: 28 10.733 1.902 0.246 0.363 0.852 0.556 CB 1.186 9 residues pruned to eliminate duplicates Z: 14 15.202 1.804 0.459 0.903 1.000 0.923 CA 1.142 14 residues pruned to eliminate duplicates Z: 17 18.246 1.867 0.715 0.826 0.812 0.688 CA 1.322 16 residues pruned to eliminate duplicates Z: 17 16.606 1.861 0.331 0.892 0.938 0.938 CB 1.285 17 residues pruned to eliminate duplicates Z: 41 25.547 1.912 0.628 0.634 0.875 0.775 CB 1.307 59 residues pruned to eliminate duplicates Z: 15 20.012 1.886 0.479 0.831 1.000 0.500 CB 1.441 15 residues pruned to eliminate duplicates Z: 8 15.501 1.778 0.792 0.898 1.000 0.714 N 1.315 8 residues pruned to eliminate duplicates Z: 7 7.036 1.859 0.350 0.598 0.833 0.833 CB 1.251 Z: 15 15.237 1.849 0.700 0.664 0.857 0.714 CA 1.299 15 residues pruned to eliminate duplicates Z: 40 18.643 1.754 0.593 0.451 0.923 0.538 CB 1.217 36 residues pruned to eliminate duplicates Z: 21 18.043 1.929 0.600 0.570 0.850 0.650 CB 1.438 21 residues pruned to eliminate duplicates Z: 17 20.679 1.897 0.643 0.863 0.938 0.812 CB 1.299 17 residues pruned to eliminate duplicates Z: 20 28.426 1.994 0.630 0.893 1.000 0.895 CA 1.440 20 residues pruned to eliminate duplicates Z: 12 15.523 1.873 0.510 0.655 1.000 0.727 N 1.433 13 residues pruned to eliminate duplicates Z: 38 16.233 1.936 0.495 0.362 0.865 0.568 CB 1.237 38 residues pruned to eliminate duplicates Z: 10 10.154 1.660 0.525 0.654 0.889 0.556 CA 1.303 Z: 20 10.481 1.800 0.254 0.465 0.842 0.421 CB 1.312 20 residues pruned to eliminate duplicates Z: 15 22.427 1.789 0.682 0.913 1.000 1.000 CB 1.409 15 residues pruned to eliminate duplicates Z: 8 4.676 1.362 0.410 0.576 0.857 0.571 CA 0.997 8 residues pruned to eliminate duplicates Z: 44 28.760 2.029 0.536 0.534 0.953 0.814 CB 1.427 44 residues pruned to eliminate duplicates Z: 19 31.322 1.996 0.915 0.869 0.944 0.556 CB 1.493 19 residues pruned to eliminate duplicates Z: 37 19.914 1.851 0.526 0.630 0.972 0.611 CB 1.070 31 residues pruned to eliminate duplicates Z: 30 22.251 1.869 0.655 0.669 0.862 0.483 CB 1.326 30 residues pruned to eliminate duplicates Z: 15 9.756 1.978 0.263 0.275 0.929 0.429 CB 1.451 Z: 6 6.493 1.677 0.183 0.754 1.000 0.600 N 1.167 6 residues pruned to eliminate duplicates Z: 21 23.986 1.945 0.408 0.840 1.000 0.800 CA 1.461 21 residues pruned to eliminate duplicates Z: 8 3.487 1.469 0.486 0.346 0.714 0.714 CB 0.999 8 residues pruned to eliminate duplicates Z: 17 17.762 1.957 0.626 0.624 0.938 0.688 CB 1.325 17 residues pruned to eliminate duplicates Z: 17 23.426 1.941 0.451 0.932 1.000 0.938 CB 1.452 17 residues pruned to eliminate duplicates Z: 8 5.619 1.577 0.023 0.622 0.857 0.714 O 1.370 Z: 17 11.645 1.789 0.459 0.535 0.812 0.438 CB 1.327 11 residues pruned to eliminate duplicates Z: 17 13.057 1.778 0.746 0.491 1.000 0.500 CB 1.061 17 residues pruned to eliminate duplicates Z: 9 6.135 1.771 0.552 0.878 1.000 0.875 CB 0.573 Z: 6 9.031 1.846 0.612 0.826 1.000 1.000 CB 1.024 6 residues pruned to eliminate duplicates Z: 46 24.398 2.107 0.574 0.345 0.933 0.667 CB 1.390 50 residues pruned to eliminate duplicates Z: 13 15.657 1.837 0.785 0.868 0.917 0.667 CB 1.099 13 residues pruned to eliminate duplicates Z: 15 18.861 1.873 0.407 0.880 1.000 0.714 CB 1.386 16 residues pruned to eliminate duplicates Z: 12 10.883 1.976 0.362 0.433 1.000 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 20 13.420 1.786 0.248 0.806 0.895 0.737 CA 1.182 20 residues pruned to eliminate duplicates Z: 16 24.048 1.962 0.577 0.854 1.000 0.733 CA 1.482 16 residues pruned to eliminate duplicates Z: 16 18.165 1.972 0.880 0.924 1.000 0.933 CB 0.889 21 residues pruned to eliminate duplicates Z: 7 8.463 1.731 0.818 0.705 1.000 0.667 CB 0.911 Z: 35 24.662 2.069 0.739 0.363 0.941 0.588 CB 1.447 35 residues pruned to eliminate duplicates Z: 10 11.646 1.887 0.430 0.723 1.000 1.000 CB 1.176 Z: 10 4.090 1.481 0.465 0.351 0.778 0.556 N 0.949 Z: 6 5.737 1.341 0.585 0.748 1.000 0.800 N 0.968 Z: 6 2.364 1.151 0.242 0.621 0.800 0.600 CA 0.824 Z: 17 22.216 1.887 0.643 0.861 0.938 0.562 CA 1.404 16 residues pruned to eliminate duplicates Z: 29 23.020 1.855 0.453 0.699 1.000 0.821 CB 1.347 29 residues pruned to eliminate duplicates Z: 21 13.167 1.681 0.421 0.490 0.950 0.600 CB 1.311 Z: 20 26.794 2.025 0.551 0.846 1.000 0.895 CA 1.454 20 residues pruned to eliminate duplicates Z: 23 10.595 1.674 0.386 0.382 0.864 0.500 CB 1.279 24 residues pruned to eliminate duplicates Z: 17 16.169 1.849 0.532 0.626 0.938 0.625 CB 1.351 12 residues pruned to eliminate duplicates Z: 15 15.455 1.927 0.630 0.849 0.857 0.786 CB 1.137 15 residues pruned to eliminate duplicates Z: 10 6.086 1.642 0.143 0.438 0.889 0.667 CB 1.297 7 residues pruned to eliminate duplicates Z: 17 21.221 1.891 0.575 0.878 0.938 0.688 CA 1.379 17 residues pruned to eliminate duplicates Z: 17 14.874 1.821 0.544 0.685 0.938 0.750 CB 1.190 17 residues pruned to eliminate duplicates Z: 17 16.603 1.837 0.499 0.811 0.938 0.625 CB 1.226 16 residues pruned to eliminate duplicates Z: 15 13.334 1.704 0.847 0.504 0.929 0.714 CB 1.215 Z: 15 24.089 1.865 0.869 0.911 0.929 0.571 CA 1.409 15 residues pruned to eliminate duplicates Z: 12 17.725 2.029 0.652 0.428 1.000 0.455 CB 1.718 12 residues pruned to eliminate duplicates Z: 7 7.559 1.658 0.493 0.862 1.000 0.833 CB 0.916 Z: 45 17.152 1.957 0.407 0.310 0.841 0.523 CB 1.378 39 residues pruned to eliminate duplicates Z: 7 6.843 1.701 0.522 0.574 0.833 0.833 CB 1.206 7 residues pruned to eliminate duplicates Z: 8 4.420 1.655 0.411 0.204 0.857 0.571 CB 1.185 8 residues pruned to eliminate duplicates Z: 30 21.991 1.946 0.576 0.541 0.897 0.552 CB 1.426 19 residues pruned to eliminate duplicates Z: 40 22.199 2.093 0.579 0.326 0.897 0.590 CB 1.450 40 residues pruned to eliminate duplicates Z: 20 27.361 1.970 0.606 0.897 1.000 0.789 CA 1.420 20 residues pruned to eliminate duplicates Z: 12 12.060 1.817 0.540 0.533 0.909 0.545 CB 1.383 12 residues pruned to eliminate duplicates Z: 6 6.457 1.736 0.121 0.524 1.000 0.400 CA 1.449 Z: 14 10.486 1.722 0.553 0.566 0.846 0.615 CB 1.205 Z: 33 16.182 2.014 0.610 0.287 0.812 0.594 CB 1.379 33 residues pruned to eliminate duplicates Z: 8 10.080 1.803 0.277 0.881 1.000 0.857 CB 1.199 Z: 12 16.628 1.940 0.687 0.764 0.909 0.818 CA 1.333 12 residues pruned to eliminate duplicates Z: 20 6.354 1.593 0.466 0.310 0.789 0.263 CB 0.977 20 residues pruned to eliminate duplicates Z: 11 6.498 1.884 0.285 0.379 0.900 0.600 CB 1.074 10 residues pruned to eliminate duplicates Z: 22 14.608 1.832 0.509 0.434 0.857 0.476 CA 1.441 22 residues pruned to eliminate duplicates Z: 16 21.664 1.952 0.564 0.884 0.933 0.733 CB 1.418 16 residues pruned to eliminate duplicates Z: 13 15.507 1.837 0.636 0.889 0.917 0.750 CB 1.169 13 residues pruned to eliminate duplicates Z: 20 29.771 2.005 0.710 0.855 1.000 0.684 CA 1.470 20 residues pruned to eliminate duplicates Z: 8 8.373 1.856 0.510 0.405 0.857 0.571 CB 1.455 Z: 46 28.092 1.977 0.387 0.544 1.000 0.733 CB 1.463 46 residues pruned to eliminate duplicates Z: 18 18.609 1.943 0.562 0.604 0.941 0.647 N 1.431 18 residues pruned to eliminate duplicates Z: 7 7.909 1.861 0.123 0.903 1.000 1.000 CB 1.101 7 residues pruned to eliminate duplicates Z: 20 14.446 1.836 0.512 0.487 0.895 0.526 CB 1.352 20 residues pruned to eliminate duplicates Z: 19 31.562 2.035 0.781 0.890 1.000 0.667 CB 1.477 19 residues pruned to eliminate duplicates Z: 21 16.565 1.849 0.625 0.465 0.900 0.700 CB 1.420 21 residues pruned to eliminate duplicates Z: 42 19.830 2.000 0.539 0.343 0.854 0.512 CB 1.398 42 residues pruned to eliminate duplicates Z: 33 23.323 1.849 0.750 0.699 0.875 0.594 CB 1.215 33 residues pruned to eliminate duplicates Z: 8 8.841 1.668 0.184 0.659 1.000 0.714 N 1.460 8 residues pruned to eliminate duplicates Z: 6 4.248 1.833 0.472 0.593 0.800 0.600 CB 0.805 6 residues pruned to eliminate duplicates Z: 9 2.484 1.544 0.395 0.188 0.500 0.375 N 1.185 Z: 13 12.337 1.687 0.608 0.642 0.833 0.583 CB 1.380 Z: 18 24.470 1.866 0.745 0.903 1.000 0.941 CB 1.299 18 residues pruned to eliminate duplicates Z: 9 3.166 1.573 0.243 0.352 0.750 0.625 CB 0.896 Z: 12 13.287 1.877 0.697 0.352 1.000 0.636 CB 1.476 12 residues pruned to eliminate duplicates Z: 7 7.838 1.650 0.451 0.595 1.000 0.500 O 1.220 Z: 6 10.065 1.851 0.245 0.882 1.000 1.000 CA 1.412 6 residues pruned to eliminate duplicates Z: 14 19.943 1.721 0.787 0.894 1.000 0.615 CB 1.291 14 residues pruned to eliminate duplicates Z: 28 25.782 1.886 0.780 0.707 0.889 0.519 CB 1.378 27 residues pruned to eliminate duplicates Z: 16 12.180 1.704 0.514 0.586 0.933 0.733 CB 1.202 16 residues pruned to eliminate duplicates Z: 17 13.394 1.797 0.554 0.588 0.875 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 26 13.015 1.675 0.495 0.346 0.920 0.560 CB 1.336 22 residues pruned to eliminate duplicates Z: 13 8.541 1.958 0.252 0.332 0.917 0.667 CA 1.319 13 residues pruned to eliminate duplicates Z: 26 18.279 2.053 0.706 0.314 1.000 0.600 CB 1.283 32 residues pruned to eliminate duplicates Z: 17 10.135 1.698 0.460 0.488 0.875 0.625 CB 1.183 10 residues pruned to eliminate duplicates Z: 44 30.776 2.029 0.593 0.542 0.930 0.721 CB 1.498 44 residues pruned to eliminate duplicates Z: 11 13.330 1.888 0.673 0.632 0.900 0.700 CA 1.310 11 residues pruned to eliminate duplicates Z: 6 3.244 1.515 0.362 0.434 0.800 0.800 CB 0.941 Z: 16 13.221 1.784 0.571 0.630 0.867 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 7 4.501 1.702 0.748 0.238 0.667 0.333 CB 1.256 Z: 16 22.640 1.960 0.504 0.891 1.000 0.867 CB 1.426 16 residues pruned to eliminate duplicates Z: 14 8.450 1.574 0.320 0.524 0.846 0.462 N 1.302 14 residues pruned to eliminate duplicates Z: 10 7.748 1.452 0.740 0.772 0.889 0.556 CB 0.904 10 residues pruned to eliminate duplicates Z: 41 22.633 2.109 0.612 0.322 0.900 0.525 CB 1.423 41 residues pruned to eliminate duplicates Z: 18 17.231 1.818 0.368 0.854 0.941 0.706 CB 1.318 18 residues pruned to eliminate duplicates Z: 15 18.209 1.941 0.702 0.851 0.929 0.571 CB 1.174 15 residues pruned to eliminate duplicates Z: 9 11.722 1.703 0.749 0.878 0.875 0.625 CB 1.154 8 residues pruned to eliminate duplicates Z: 25 12.235 1.817 0.398 0.440 0.875 0.583 CB 1.195 12 residues pruned to eliminate duplicates Z: 8 12.829 1.759 0.804 0.877 1.000 0.857 CA 1.110 8 residues pruned to eliminate duplicates Z: 9 11.916 1.625 0.461 0.815 1.000 0.750 CB 1.349 9 residues pruned to eliminate duplicates Z: 21 22.407 1.939 0.438 0.824 0.950 0.800 CB 1.429 21 residues pruned to eliminate duplicates Z: 24 12.909 1.871 0.559 0.297 0.826 0.435 CB 1.401 24 residues pruned to eliminate duplicates Z: 13 14.354 1.816 0.499 0.897 1.000 0.750 CB 1.090 13 residues pruned to eliminate duplicates Z: 7 2.847 1.339 0.530 0.367 0.667 0.667 N 0.982 Z: 8 14.438 1.820 0.629 0.882 1.000 0.857 CA 1.332 8 residues pruned to eliminate duplicates Z: 18 12.705 1.743 0.550 0.471 0.882 0.588 CB 1.331 18 residues pruned to eliminate duplicates Z: 13 15.519 1.836 0.642 0.699 0.833 0.750 CA 1.488 13 residues pruned to eliminate duplicates Z: 14 24.108 1.890 0.825 0.891 1.000 0.538 CA 1.394 14 residues pruned to eliminate duplicates Z: 17 17.927 1.944 0.589 0.867 1.000 0.625 CB 1.061 16 residues pruned to eliminate duplicates Z: 17 22.861 1.888 0.627 0.921 1.000 0.938 CB 1.309 17 residues pruned to eliminate duplicates Z: 10 12.138 1.620 0.800 0.871 1.000 0.778 CB 1.012 9 residues pruned to eliminate duplicates Z: 15 14.422 1.975 0.293 0.881 1.000 0.857 CB 1.093 15 residues pruned to eliminate duplicates Z: 10 9.502 1.633 0.526 0.620 0.889 0.444 CB 1.277 Z: 11 9.361 1.734 0.402 0.431 0.900 0.500 CB 1.453 11 residues pruned to eliminate duplicates Z: 17 14.308 1.863 0.612 0.620 0.938 0.750 CB 1.135 17 residues pruned to eliminate duplicates Z: 14 24.176 1.878 0.922 0.913 0.923 0.615 CA 1.425 15 residues pruned to eliminate duplicates Z: 9 10.173 1.815 0.550 0.550 0.875 0.750 CB 1.392 9 residues pruned to eliminate duplicates Z: 7 3.238 1.744 -0.053 0.373 0.667 0.500 CB 1.375 7 residues pruned to eliminate duplicates Z: 8 5.162 1.568 0.482 0.371 0.857 0.857 CB 1.124 Z: 18 26.206 2.028 0.496 0.899 1.000 0.706 CB 1.498 18 residues pruned to eliminate duplicates Z: 12 19.209 1.885 0.812 0.917 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 13 10.741 1.755 0.349 0.902 1.000 0.917 CB 0.934 9 residues pruned to eliminate duplicates Z: 9 5.650 1.476 0.565 0.367 0.875 0.250 CB 1.140 9 residues pruned to eliminate duplicates Z: 14 21.346 1.880 0.777 0.856 0.923 0.692 CA 1.416 14 residues pruned to eliminate duplicates Z: 13 10.150 1.734 0.585 0.828 0.917 0.500 CB 0.876 13 residues pruned to eliminate duplicates Z: 17 12.227 1.933 0.310 0.457 0.875 0.438 CA 1.443 17 residues pruned to eliminate duplicates Z: 20 9.671 1.593 0.673 0.400 0.789 0.579 CB 1.171 8 residues pruned to eliminate duplicates Z: 8 10.244 1.647 0.410 0.819 1.000 0.857 CB 1.264 8 residues pruned to eliminate duplicates 6 0.363 1.752 0.290 0.363 0.800 0.600 CB 0.104 ? Z: 20 12.267 2.113 0.513 0.338 0.842 0.632 CB 1.248 20 residues pruned to eliminate duplicates Z: 8 4.000 1.614 0.337 0.430 0.714 0.286 CB 1.055 Z: 18 12.963 1.942 0.450 0.336 0.824 0.529 CB 1.623 19 residues pruned to eliminate duplicates Z: 20 18.489 1.767 0.470 0.851 1.000 0.684 CA 1.209 20 residues pruned to eliminate duplicates Z: 16 4.640 1.589 0.354 0.245 0.867 0.467 CB 0.863 16 residues pruned to eliminate duplicates Z: 18 24.914 1.966 0.602 0.858 1.000 0.824 CA 1.413 23 residues pruned to eliminate duplicates Z: 17 11.068 1.734 0.332 0.487 0.875 0.562 CB 1.387 17 residues pruned to eliminate duplicates Z: 13 10.349 1.724 0.293 0.905 1.000 0.917 CB 0.954 13 residues pruned to eliminate duplicates Z: 8 11.039 1.664 0.414 0.898 1.000 1.000 CB 1.268 8 residues pruned to eliminate duplicates Z: 34 20.723 1.877 0.634 0.459 0.939 0.515 CB 1.306 34 residues pruned to eliminate duplicates Z: 40 22.311 1.836 0.643 0.539 0.897 0.590 CB 1.270 42 residues pruned to eliminate duplicates Z: 16 10.519 1.958 0.648 0.350 0.933 0.667 CB 1.060 16 residues pruned to eliminate duplicates Z: 41 24.494 2.034 0.696 0.381 0.925 0.600 CB 1.378 41 residues pruned to eliminate duplicates Z: 11 4.362 1.587 0.441 0.239 0.700 0.400 CA 1.166 11 residues pruned to eliminate duplicates Z: 15 15.182 1.740 0.375 0.902 1.000 0.857 CA 1.210 15 residues pruned to eliminate duplicates Z: 11 15.861 1.889 0.677 0.875 1.000 0.500 CB 1.152 Z: 10 8.096 1.817 0.540 0.463 0.889 0.667 CA 1.127 Z: 13 10.981 1.763 0.510 0.397 1.000 0.417 CB 1.328 13 residues pruned to eliminate duplicates Z: 6 4.661 1.634 0.303 0.767 1.000 0.800 CB 0.772 Z: 16 13.114 1.730 0.555 0.632 0.867 0.733 CB 1.282 Z: 8 6.231 1.682 0.454 0.470 0.857 0.714 CB 1.157 8 residues pruned to eliminate duplicates Z: 27 18.512 1.856 0.682 0.662 0.962 0.692 CB 1.041 27 residues pruned to eliminate duplicates Z: 7 2.961 1.709 0.426 0.195 0.667 0.333 CB 1.071 Z: 19 17.822 1.771 0.802 0.839 0.889 0.444 CB 1.107 26 residues pruned to eliminate duplicates Z: 32 13.575 2.023 0.438 0.285 0.806 0.452 CB 1.323 32 residues pruned to eliminate duplicates Z: 9 6.357 1.452 0.664 0.916 1.000 1.000 CB 0.657 9 residues pruned to eliminate duplicates Z: 13 14.339 1.816 0.601 0.875 0.833 0.583 CA 1.242 13 residues pruned to eliminate duplicates Z: 9 10.913 1.660 0.776 0.622 0.875 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 43 19.298 1.976 0.526 0.310 0.857 0.476 CB 1.422 43 residues pruned to eliminate duplicates Z: 9 14.560 1.698 0.703 0.887 1.000 0.750 CB 1.283 9 residues pruned to eliminate duplicates Z: 20 15.240 1.805 0.423 0.426 1.000 0.526 CB 1.469 31 residues pruned to eliminate duplicates Z: 15 20.577 1.858 0.621 0.928 0.929 0.929 CA 1.377 15 residues pruned to eliminate duplicates Z: 11 6.453 1.721 0.291 0.358 0.900 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 9 8.882 1.562 0.505 0.902 1.000 1.000 CB 0.953 9 residues pruned to eliminate duplicates Z: 8 5.670 1.396 0.341 0.707 0.857 0.571 O 1.106 8 residues pruned to eliminate duplicates Z: 6 6.112 1.613 0.654 0.682 0.800 0.800 CB 1.084 Z: 14 15.788 1.764 0.373 0.900 1.000 0.846 CA 1.292 14 residues pruned to eliminate duplicates Z: 9 5.297 1.746 0.208 0.804 1.000 0.875 CB 0.681 Z: 28 23.323 1.947 0.599 0.611 0.889 0.667 CB 1.460 28 residues pruned to eliminate duplicates Z: 11 10.843 1.716 0.723 0.460 0.800 0.600 CB 1.510 11 residues pruned to eliminate duplicates Z: 9 5.478 1.691 0.688 0.364 0.625 0.250 CB 1.257 Z: 14 16.681 1.958 0.379 0.893 0.923 0.923 CB 1.333 14 residues pruned to eliminate duplicates Z: 14 23.426 1.888 0.810 0.911 0.923 0.615 CA 1.460 14 residues pruned to eliminate duplicates Z: 6 4.271 1.491 0.242 0.542 0.800 0.600 C 1.236 6 residues pruned to eliminate duplicates Z: 20 11.260 1.900 0.301 0.446 0.842 0.421 CB 1.311 24 residues pruned to eliminate duplicates Z: 14 28.005 1.855 0.989 0.937 1.000 0.462 CB 1.464 15 residues pruned to eliminate duplicates Z: 8 12.469 1.744 0.757 0.864 1.000 1.000 CB 1.127 Z: 9 14.328 1.700 0.707 0.859 1.000 0.750 CB 1.284 9 residues pruned to eliminate duplicates Z: 8 2.450 1.532 0.402 0.270 0.571 0.429 N 0.980 Z: 20 16.233 1.770 0.269 0.850 1.000 0.789 CA 1.229 20 residues pruned to eliminate duplicates Z: 6 3.527 1.588 0.096 0.465 1.000 0.600 CB 0.939 Z: 7 5.858 1.905 0.430 0.332 1.000 0.667 CB 1.056 Z: 37 12.047 1.752 0.419 0.428 0.889 0.528 CB 0.979 40 residues pruned to eliminate duplicates Z: 17 9.839 1.794 0.167 0.361 0.938 0.625 CB 1.457 16 residues pruned to eliminate duplicates Z: 10 6.645 1.688 0.403 0.434 0.889 0.444 CB 1.127 Z: 11 12.862 1.752 0.574 0.707 0.900 0.800 N 1.358 11 residues pruned to eliminate duplicates Z: 6 6.729 1.602 0.774 0.734 0.800 0.600 CA 1.073 Z: 17 13.343 1.921 0.379 0.826 0.938 0.625 CB 1.013 17 residues pruned to eliminate duplicates Z: 9 6.445 1.397 0.788 0.489 0.875 0.625 N 1.054 Z: 15 11.873 1.633 0.696 0.847 0.929 0.786 CB 0.916 13 residues pruned to eliminate duplicates Z: 9 2.756 1.697 0.059 0.309 0.750 0.500 CB 0.894 9 residues pruned to eliminate duplicates Z: 6 3.336 1.544 -0.068 0.483 1.000 0.600 CB 1.054 Z: 20 17.768 1.793 0.569 0.815 0.947 0.684 CB 1.164 20 residues pruned to eliminate duplicates 7 1.765 1.453 0.340 0.419 0.667 0.500 CB 0.604 ? Z: 14 19.425 1.841 0.601 0.884 0.923 0.923 CA 1.430 14 residues pruned to eliminate duplicates Z: 18 15.228 1.918 0.597 0.859 0.941 0.824 CB 0.942 17 residues pruned to eliminate duplicates Z: 15 9.012 1.652 0.375 0.500 0.929 0.571 N 1.143 15 residues pruned to eliminate duplicates Z: 20 28.463 1.974 0.561 0.871 1.000 0.737 CA 1.545 20 residues pruned to eliminate duplicates Z: 6 3.026 1.271 0.137 0.598 1.000 0.600 CB 0.853 Z: 10 8.342 1.757 0.569 0.694 0.889 0.667 CB 0.951 6 residues pruned to eliminate duplicates Z: 18 10.293 1.687 0.438 0.492 0.824 0.529 CB 1.259 12 residues pruned to eliminate duplicates Z: 6 7.186 1.688 0.785 0.519 1.000 0.400 CB 1.047 Z: 9 5.859 1.907 0.435 0.275 0.875 0.625 CB 1.117 Z: 9 4.241 1.560 0.218 0.573 0.875 0.500 CB 0.841 Z: 9 10.613 1.714 0.600 0.878 1.000 0.875 CB 0.993 9 residues pruned to eliminate duplicates Z: 6 3.648 1.486 0.713 0.377 0.800 0.400 CB 0.914 Z: 10 9.978 1.509 0.595 0.772 0.889 0.556 CA 1.222 10 residues pruned to eliminate duplicates Z: 8 6.298 1.677 0.977 0.515 0.714 0.714 CB 0.991 Z: 12 7.202 1.741 0.646 0.431 0.727 0.364 CB 1.119 Z: 8 5.514 1.750 -0.016 0.609 1.000 0.857 CB 1.092 7 1.593 1.425 0.527 0.326 0.500 0.167 CB 0.724 ? Z: 14 12.467 1.758 0.502 0.898 1.000 0.923 CB 0.937 13 residues pruned to eliminate duplicates Z: 13 10.250 1.730 0.629 0.523 0.833 0.583 CB 1.232 13 residues pruned to eliminate duplicates Z: 7 4.486 1.686 0.329 0.476 0.833 0.667 CB 1.005 Z: 29 20.395 1.801 0.569 0.682 0.893 0.679 CB 1.292 52 residues pruned to eliminate duplicates Z: 13 6.241 1.657 0.325 0.380 0.750 0.417 CB 1.244 13 residues pruned to eliminate duplicates Z: 10 6.224 1.693 0.219 0.559 0.889 0.889 CB 1.068 7 residues pruned to eliminate duplicates Z: 6 4.195 1.629 0.382 0.873 0.800 0.800 CA 0.758 6 residues pruned to eliminate duplicates Z: 9 11.768 1.670 0.573 0.892 1.000 1.000 CB 1.137 9 residues pruned to eliminate duplicates Z: 13 3.363 1.695 0.050 0.645 1.000 0.583 CB 0.476 Z: 11 11.314 1.712 0.503 0.666 0.900 0.700 N 1.325 11 residues pruned to eliminate duplicates Z: 13 12.330 1.741 0.485 0.575 0.833 0.500 CA 1.537 13 residues pruned to eliminate duplicates Z: 12 13.179 1.866 0.635 0.702 1.000 1.000 CB 1.084 12 residues pruned to eliminate duplicates Z: 44 17.633 1.924 0.519 0.458 0.791 0.535 CB 1.215 44 residues pruned to eliminate duplicates Z: 36 20.364 2.071 0.510 0.389 0.886 0.543 CB 1.397 36 residues pruned to eliminate duplicates Z: 27 11.543 1.815 0.407 0.399 0.846 0.308 CB 1.165 27 residues pruned to eliminate duplicates Z: 8 6.762 1.588 0.420 0.632 1.000 0.714 CB 1.001 Z: 11 5.418 1.719 0.028 0.544 0.900 0.700 CB 1.032 Z: 16 15.167 1.833 0.665 0.598 1.000 0.667 CB 1.169 16 residues pruned to eliminate duplicates Z: 7 10.612 1.618 0.804 0.744 1.000 0.833 CB 1.192 Z: 7 11.512 1.719 0.550 0.783 1.000 0.833 CB 1.375 7 residues pruned to eliminate duplicates Z: 19 18.367 1.830 0.549 0.880 0.944 0.722 CB 1.173 19 residues pruned to eliminate duplicates Z: 8 5.673 1.652 0.311 0.554 0.714 0.714 O 1.315 7 residues pruned to eliminate duplicates 7 1.984 1.718 0.452 0.218 0.500 0.333 CB 0.905 ? Z: 6 5.769 1.447 0.251 0.805 1.000 0.600 CB 1.093 Z: 7 8.341 1.813 0.144 0.806 1.000 0.833 CB 1.257 7 residues pruned to eliminate duplicates Z: 34 26.725 1.993 0.561 0.626 0.939 0.727 CB 1.414 34 residues pruned to eliminate duplicates Z: 19 14.899 1.745 0.665 0.785 0.833 0.500 CB 1.129 19 residues pruned to eliminate duplicates Z: 7 6.723 1.926 0.396 0.515 0.833 0.667 CB 1.207 8 residues pruned to eliminate duplicates Z: 7 3.459 1.615 0.085 0.524 0.667 0.667 CB 1.182 Z: 13 16.252 1.793 0.528 0.884 1.000 0.583 CB 1.238 Z: 13 10.609 1.656 0.565 0.535 0.833 0.667 CB 1.371 14 residues pruned to eliminate duplicates Z: 7 8.050 1.762 0.869 0.478 0.833 0.667 CB 1.225 Z: 30 20.162 2.064 0.695 0.333 0.931 0.621 CB 1.380 30 residues pruned to eliminate duplicates Z: 9 11.857 1.777 0.521 0.879 1.000 1.000 CA 1.125 17 residues pruned to eliminate duplicates Z: 14 14.195 1.940 0.246 0.914 0.923 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 28 18.269 1.860 0.416 0.634 1.000 0.630 CB 1.177 28 residues pruned to eliminate duplicates Z: 21 7.862 1.792 0.236 0.262 0.750 0.650 CB 1.389 20 residues pruned to eliminate duplicates Z: 18 21.055 1.812 0.582 0.854 1.000 0.647 CA 1.316 18 residues pruned to eliminate duplicates Z: 20 10.157 1.765 0.223 0.519 0.895 0.579 CB 1.184 20 residues pruned to eliminate duplicates Z: 12 6.034 1.736 0.036 0.547 1.000 0.636 CB 0.967 Z: 12 8.558 1.569 0.791 0.483 1.000 0.455 CB 0.934 Z: 8 6.436 1.712 0.109 0.835 0.857 0.714 CB 1.120 8 residues pruned to eliminate duplicates Z: 7 7.718 1.419 0.519 0.806 1.000 0.500 CB 1.119 Z: 10 10.477 1.633 0.356 0.853 1.000 0.889 CB 1.166 10 residues pruned to eliminate duplicates Z: 12 10.426 1.711 0.584 0.338 1.000 0.455 CB 1.385 13 residues pruned to eliminate duplicates Z: 19 17.230 1.796 0.605 0.837 0.944 0.444 CB 1.116 19 residues pruned to eliminate duplicates Z: 26 16.568 1.945 0.640 0.332 0.880 0.560 CB 1.418 26 residues pruned to eliminate duplicates Z: 6 6.248 1.428 0.690 0.758 1.000 0.400 CB 0.921 Z: 23 13.247 1.743 0.570 0.396 0.909 0.500 CA 1.267 23 residues pruned to eliminate duplicates Z: 12 9.933 1.733 0.572 0.549 0.909 0.455 CB 1.153 12 residues pruned to eliminate duplicates Z: 34 22.619 2.099 0.757 0.395 0.848 0.667 CB 1.406 43 residues pruned to eliminate duplicates Z: 9 9.737 1.564 0.476 0.839 1.000 1.000 CB 1.114 9 residues pruned to eliminate duplicates Z: 34 16.992 2.066 0.391 0.331 0.939 0.545 CB 1.318 41 residues pruned to eliminate duplicates Z: 8 9.666 1.850 0.125 0.903 1.000 1.000 CB 1.251 8 residues pruned to eliminate duplicates Z: 21 10.369 1.744 0.222 0.536 0.800 0.500 CB 1.313 19 residues pruned to eliminate duplicates Z: 9 5.216 1.526 0.289 0.444 0.875 0.375 CA 1.135 Z: 20 13.085 1.819 0.563 0.440 0.895 0.526 CB 1.255 29 residues pruned to eliminate duplicates Z: 32 20.731 1.838 0.607 0.509 0.968 0.677 CA 1.291 32 residues pruned to eliminate duplicates Z: 8 7.873 1.867 0.091 0.812 1.000 0.857 CB 1.114 Z: 22 7.894 1.599 0.305 0.341 0.762 0.524 CB 1.289 8 residues pruned to eliminate duplicates Z: 9 7.605 1.749 0.470 0.579 0.875 0.625 CB 1.107 Z: 39 20.102 2.040 0.499 0.362 0.868 0.632 CB 1.424 39 residues pruned to eliminate duplicates Z: 8 9.630 1.873 0.642 0.515 1.000 0.571 CB 1.166 8 residues pruned to eliminate duplicates Z: 21 23.081 1.880 0.460 0.837 1.000 0.750 CA 1.407 21 residues pruned to eliminate duplicates Z: 10 3.109 1.553 -0.038 0.290 0.889 0.333 CB 0.988 Z: 35 23.781 1.887 0.683 0.670 0.941 0.706 CB 1.166 38 residues pruned to eliminate duplicates Z: 32 17.884 1.788 0.672 0.673 0.935 0.710 CB 0.979 32 residues pruned to eliminate duplicates Z: 9 9.768 1.709 0.742 0.886 0.875 0.625 CB 0.957 9 residues pruned to eliminate duplicates Z: 61 33.772 1.969 0.598 0.510 0.900 0.650 CB 1.524 27 residues pruned to eliminate duplicates Z: 6 4.568 1.536 0.483 0.679 0.800 0.400 CB 0.951 6 residues pruned to eliminate duplicates Z: 7 9.344 1.612 0.662 0.839 1.000 1.000 CB 1.063 7 residues pruned to eliminate duplicates Z: 14 22.405 1.887 0.821 0.899 0.923 0.615 CA 1.401 14 residues pruned to eliminate duplicates Z: 9 6.031 1.533 0.410 0.452 0.875 0.750 N 1.184 9 residues pruned to eliminate duplicates Z: 8 8.322 1.603 0.096 0.878 1.000 1.000 CB 1.299 8 residues pruned to eliminate duplicates Z: 11 8.924 1.713 0.393 0.765 1.000 0.700 CA 0.935 11 residues pruned to eliminate duplicates Z: 34 17.932 1.978 0.602 0.308 0.909 0.606 CB 1.341 34 residues pruned to eliminate duplicates Z: 43 25.745 1.945 0.383 0.568 0.976 0.762 CB 1.416 38 residues pruned to eliminate duplicates Z: 8 4.274 1.642 0.240 0.370 1.000 0.429 CB 0.912 Z: 22 15.214 1.779 0.634 0.464 0.905 0.476 CB 1.310 25 residues pruned to eliminate duplicates Z: 30 14.100 1.781 0.618 0.415 0.828 0.345 CB 1.200 17 residues pruned to eliminate duplicates Z: 14 21.885 1.878 0.656 0.916 1.000 0.538 CA 1.378 14 residues pruned to eliminate duplicates Z: 15 14.026 1.829 0.712 0.492 0.929 0.571 CB 1.300 16 residues pruned to eliminate duplicates Z: 7 3.226 1.353 0.745 0.526 0.833 0.667 N 0.652 Z: 7 5.972 1.613 0.551 0.382 0.833 0.333 O 1.326 7 residues pruned to eliminate duplicates Z: 14 8.111 1.608 0.090 0.776 0.846 0.538 CA 1.189 14 residues pruned to eliminate duplicates Z: 10 7.038 1.644 0.191 0.682 1.000 0.556 CB 1.013 9 residues pruned to eliminate duplicates Z: 8 2.145 1.711 0.159 0.320 0.429 0.429 CA 1.164 8 residues pruned to eliminate duplicates Z: 8 3.718 1.652 -0.045 0.680 0.857 0.571 CB 0.881 6 residues pruned to eliminate duplicates Z: 18 12.861 1.822 0.346 0.575 0.882 0.588 CB 1.341 17 residues pruned to eliminate duplicates Z: 10 7.668 1.666 0.661 0.757 1.000 0.667 CB 0.735 10 residues pruned to eliminate duplicates Z: 16 9.684 1.681 0.426 0.446 0.867 0.600 CB 1.273 16 residues pruned to eliminate duplicates Z: 21 12.569 1.908 0.430 0.412 0.850 0.600 CB 1.329 21 residues pruned to eliminate duplicates Z: 8 8.948 1.605 0.594 0.872 1.000 1.000 CB 0.964 7 residues pruned to eliminate duplicates Z: 13 14.713 1.788 0.658 0.909 0.917 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 6 3.788 1.507 0.669 0.297 0.800 0.800 O 1.055 Z: 7 5.898 1.813 0.129 0.648 1.000 0.667 CB 1.025 15 residues pruned to eliminate duplicates Z: 11 4.148 1.667 0.331 0.468 0.700 0.700 CB 0.873 8 residues pruned to eliminate duplicates Z: 29 18.189 1.833 0.583 0.617 0.893 0.357 CB 1.188 29 residues pruned to eliminate duplicates Z: 6 4.988 1.563 0.266 0.882 1.000 0.800 CB 0.815 6 residues pruned to eliminate duplicates Z: 18 22.299 1.906 0.665 0.849 0.882 0.529 CA 1.432 18 residues pruned to eliminate duplicates Z: 48 24.932 1.926 0.388 0.516 0.915 0.660 CB 1.464 48 residues pruned to eliminate duplicates Z: 16 5.756 1.432 0.675 0.368 0.733 0.467 CB 0.973 Z: 9 11.635 1.836 0.633 0.882 0.875 0.625 CB 1.134 9 residues pruned to eliminate duplicates Z: 10 2.680 1.411 0.261 0.215 0.667 0.333 CB 1.053 7 1.866 1.247 0.308 0.361 0.833 0.500 CB 0.651 ? Z: 6 3.307 1.230 0.699 0.530 1.000 0.800 CB 0.687 Z: 11 7.632 1.807 0.104 0.708 0.900 0.600 CB 1.113 Z: 17 12.043 1.734 0.360 0.506 0.875 0.562 CA 1.450 17 residues pruned to eliminate duplicates Z: 14 11.222 1.764 0.417 0.903 1.000 0.769 CB 0.887 14 residues pruned to eliminate duplicates Z: 7 2.611 1.459 0.369 0.500 0.667 0.500 CB 0.800 Z: 11 7.879 1.800 0.091 0.569 1.000 0.600 CB 1.186 11 residues pruned to eliminate duplicates Z: 16 17.427 1.761 0.734 0.869 1.000 0.400 CB 1.077 16 residues pruned to eliminate duplicates Z: 16 6.301 1.579 0.178 0.417 0.800 0.533 CB 1.192 6 1.870 1.705 0.037 0.296 0.600 0.600 CB 0.990 ? Z: 6 4.726 1.561 0.645 0.558 0.800 0.600 N 0.973 6 residues pruned to eliminate duplicates Z: 8 9.497 1.692 0.578 0.863 0.857 0.714 CB 1.150 Z: 7 3.259 1.692 -0.302 0.856 1.000 0.833 CB 0.831 7 residues pruned to eliminate duplicates Z: 8 2.610 1.356 0.195 0.327 0.857 0.429 N 0.858 Z: 6 2.068 1.609 0.327 0.279 0.800 0.600 CB 0.695 6 residues pruned to eliminate duplicates Z: 6 2.184 1.275 0.437 0.356 1.000 0.400 N 0.623 5 residues pruned to eliminate duplicates Z: 34 22.199 1.989 0.693 0.389 0.879 0.606 CB 1.469 34 residues pruned to eliminate duplicates Z: 14 23.986 1.819 0.751 0.896 1.000 0.615 CA 1.496 14 residues pruned to eliminate duplicates Z: 15 9.784 1.726 0.535 0.547 0.786 0.714 CB 1.199 15 residues pruned to eliminate duplicates Z: 6 4.986 1.682 0.345 0.467 0.800 0.600 N 1.274 6 residues pruned to eliminate duplicates Z: 10 7.366 1.538 0.697 0.525 1.000 0.444 CB 0.918 10 residues pruned to eliminate duplicates Z: 27 12.749 1.855 0.472 0.408 0.846 0.577 CB 1.192 9 residues pruned to eliminate duplicates Z: 10 12.957 1.630 0.483 0.869 1.000 0.889 CB 1.305 10 residues pruned to eliminate duplicates Z: 22 10.440 1.701 0.266 0.584 0.857 0.571 CB 1.139 22 residues pruned to eliminate duplicates Z: 15 11.076 1.782 0.452 0.468 0.857 0.571 CB 1.379 15 residues pruned to eliminate duplicates Z: 10 13.566 1.926 0.483 0.806 1.000 0.889 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 11.097 1.833 0.307 0.564 1.000 0.583 CA 1.256 13 residues pruned to eliminate duplicates Z: 9 2.622 1.587 -0.218 0.450 1.000 0.500 CB 0.787 9 residues pruned to eliminate duplicates Z: 15 21.491 1.845 0.753 0.903 1.000 0.786 CA 1.266 15 residues pruned to eliminate duplicates Z: 7 5.645 1.407 0.599 0.560 1.000 0.833 CB 0.966 Z: 14 15.876 1.799 0.850 0.601 0.846 0.538 CB 1.420 14 residues pruned to eliminate duplicates Z: 11 3.902 1.650 0.417 0.323 0.700 0.600 CB 0.916 Z: 18 16.576 1.739 0.796 0.560 1.000 0.706 CB 1.214 6 residues pruned to eliminate duplicates Z: 8 5.179 1.938 0.092 0.377 0.714 0.571 CB 1.477 8 residues pruned to eliminate duplicates Z: 11 6.853 1.694 0.456 0.403 0.800 0.500 CA 1.216 11 residues pruned to eliminate duplicates Z: 6 2.947 1.577 -0.287 0.552 1.000 0.400 CB 1.113 Z: 11 5.496 1.776 0.076 0.658 0.800 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 6 6.377 1.499 0.936 0.589 1.000 0.400 CA 0.902 6 residues pruned to eliminate duplicates Z: 9 7.309 1.439 0.468 0.883 1.000 0.750 CB 0.885 9 residues pruned to eliminate duplicates Z: 10 7.400 1.401 0.586 0.730 0.889 0.778 CB 1.015 Z: 25 15.326 1.954 0.721 0.357 0.833 0.417 CB 1.303 25 residues pruned to eliminate duplicates Z: 7 4.614 1.468 0.692 0.374 0.833 0.667 O 1.041 Z: 6 3.603 1.384 0.355 0.462 0.800 0.400 C 1.117 Z: 9 6.196 1.750 0.604 0.403 0.875 0.500 CB 0.988 9 residues pruned to eliminate duplicates Z: 44 23.471 2.022 0.680 0.330 0.907 0.581 CB 1.400 44 residues pruned to eliminate duplicates Z: 21 17.914 1.754 0.510 0.800 1.000 0.650 CA 1.163 21 residues pruned to eliminate duplicates Z: 8 2.812 1.497 0.467 0.290 0.714 0.286 N 0.857 Z: 7 4.306 1.627 0.112 0.679 1.000 0.667 CB 0.824 7 residues pruned to eliminate duplicates Z: 10 3.009 1.416 0.541 0.290 0.667 0.556 N 0.873 10 residues pruned to eliminate duplicates Z: 20 10.498 1.750 0.331 0.432 0.842 0.526 CB 1.318 20 residues pruned to eliminate duplicates Z: 7 2.191 1.399 0.091 0.282 0.667 0.500 CB 1.123 Z: 11 4.891 1.474 0.515 0.376 0.800 0.500 CB 0.988 Z: 22 13.428 1.767 0.464 0.646 0.857 0.667 CB 1.152 22 residues pruned to eliminate duplicates Z: 7 6.627 1.410 1.132 0.632 0.833 0.667 N 0.954 Z: 25 16.589 2.083 0.611 0.302 0.875 0.542 CB 1.439 25 residues pruned to eliminate duplicates Z: 15 20.969 1.904 0.679 0.844 0.929 0.714 CA 1.405 15 residues pruned to eliminate duplicates Z: 8 5.135 1.568 0.205 0.505 0.857 0.429 CB 1.193 8 residues pruned to eliminate duplicates Z: 9 7.716 1.283 0.920 0.808 1.000 0.625 CB 0.847 9 residues pruned to eliminate duplicates Z: 8 7.845 1.663 0.833 0.565 0.857 0.857 CB 1.066 8 residues pruned to eliminate duplicates Z: 10 10.683 1.650 0.897 0.892 0.889 0.778 CB 0.919 10 residues pruned to eliminate duplicates Z: 6 5.071 1.488 0.004 0.793 1.000 0.800 CB 1.174 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 20.643 1.880 0.430 0.846 1.000 0.471 CA 1.384 18 residues pruned to eliminate duplicates Z: 24 14.954 1.747 0.495 0.690 0.870 0.565 CB 1.154 24 residues pruned to eliminate duplicates Z: 18 16.575 1.861 0.563 0.798 0.941 0.529 CA 1.131 18 residues pruned to eliminate duplicates Z: 20 18.069 1.828 0.493 0.752 0.947 0.632 CA 1.280 20 residues pruned to eliminate duplicates Z: 18 19.884 1.912 0.351 0.798 1.000 0.706 CB 1.438 18 residues pruned to eliminate duplicates Z: 23 19.088 1.836 0.374 0.738 1.000 0.682 CB 1.303 23 residues pruned to eliminate duplicates Z: 21 18.009 1.887 0.386 0.804 0.950 0.800 CB 1.243 21 residues pruned to eliminate duplicates Z: 26 16.896 1.761 0.409 0.669 0.960 0.560 CB 1.214 26 residues pruned to eliminate duplicates Z: 25 19.227 1.805 0.541 0.729 1.000 0.583 CB 1.148 25 residues pruned to eliminate duplicates Z: 22 17.124 1.880 0.360 0.755 0.857 0.810 CB 1.358 22 residues pruned to eliminate duplicates Z: 17 19.734 1.936 0.597 0.801 0.938 0.625 CA 1.309 17 residues pruned to eliminate duplicates Z: 25 15.433 1.770 0.439 0.601 0.875 0.458 CB 1.284 25 residues pruned to eliminate duplicates Z: 23 19.898 1.865 0.451 0.756 0.955 0.727 CB 1.309 23 residues pruned to eliminate duplicates Z: 18 14.203 1.883 0.391 0.768 0.882 0.647 CB 1.175 18 residues pruned to eliminate duplicates Z: 31 18.007 1.744 0.444 0.638 0.967 0.467 CB 1.187 34 residues pruned to eliminate duplicates Z: 24 19.995 1.804 0.388 0.801 1.000 0.783 CB 1.280 24 residues pruned to eliminate duplicates Z: 22 19.592 1.881 0.378 0.765 1.000 0.857 CB 1.304 22 residues pruned to eliminate duplicates Z: 7 7.363 1.619 0.430 0.798 1.000 0.667 CB 1.000 7 residues pruned to eliminate duplicates Z: 21 17.878 1.807 0.490 0.750 1.000 0.750 CB 1.187 21 residues pruned to eliminate duplicates Z: 25 19.901 1.825 0.483 0.769 0.917 0.792 CA 1.291 25 residues pruned to eliminate duplicates Z: 29 19.325 1.784 0.375 0.687 0.929 0.750 CA 1.351 29 residues pruned to eliminate duplicates Z: 24 22.072 1.860 0.436 0.794 1.000 0.826 CB 1.331 24 residues pruned to eliminate duplicates Z: 26 18.314 1.785 0.489 0.732 0.880 0.800 CB 1.271 26 residues pruned to eliminate duplicates Z: 11 5.402 1.574 0.545 0.384 0.800 0.400 CB 0.993 Z: 6 3.412 1.343 0.621 0.419 0.800 0.200 N 0.954 Z: 7 8.540 1.529 0.699 0.542 1.000 0.667 CA 1.288 7 residues pruned to eliminate duplicates Z: 15 7.555 1.658 0.212 0.480 0.929 0.643 CB 1.103 11 residues pruned to eliminate duplicates 6 1.645 1.421 0.258 0.210 0.800 0.600 CA 0.725 ? Z: 7 4.189 1.566 0.269 0.324 1.000 0.333 CA 1.045 7 residues pruned to eliminate duplicates Z: 13 7.569 1.694 0.416 0.409 0.833 0.583 CB 1.203 14 residues pruned to eliminate duplicates Z: 6 3.934 1.304 0.721 0.326 1.000 0.400 CA 0.949 Z: 7 4.307 1.369 0.662 0.387 0.833 0.500 CB 1.045 Z: 6 2.988 1.451 0.436 0.342 0.800 0.800 CB 0.952 Z: 15 22.826 1.874 0.792 0.896 0.929 0.571 CA 1.402 14 residues pruned to eliminate duplicates Z: 14 25.766 1.907 0.853 0.913 1.000 0.692 CA 1.431 15 residues pruned to eliminate duplicates Z: 16 23.637 1.790 0.876 0.881 0.933 0.600 CA 1.410 16 residues pruned to eliminate duplicates Z: 14 26.167 1.898 0.864 0.929 1.000 0.769 CA 1.436 14 residues pruned to eliminate duplicates Z: 15 24.364 1.846 0.931 0.910 0.929 0.786 CA 1.396 15 residues pruned to eliminate duplicates Z: 15 25.049 1.850 0.783 0.908 1.000 0.786 CA 1.441 15 residues pruned to eliminate duplicates Z: 15 22.270 1.860 0.835 0.857 0.929 0.786 CA 1.383 15 residues pruned to eliminate duplicates Z: 15 24.509 1.860 0.921 0.869 1.000 0.500 CA 1.339 15 residues pruned to eliminate duplicates Z: 15 26.060 1.878 0.953 0.924 0.929 0.571 CA 1.436 15 residues pruned to eliminate duplicates Z: 14 26.576 1.918 1.017 0.892 0.923 0.692 CA 1.483 14 residues pruned to eliminate duplicates Z: 15 24.280 1.858 0.928 0.927 0.929 0.429 CA 1.367 15 residues pruned to eliminate duplicates Z: 16 21.240 1.731 0.915 0.872 0.933 0.667 CA 1.292 16 residues pruned to eliminate duplicates Z: 15 25.749 1.876 0.871 0.922 1.000 0.714 CA 1.379 14 residues pruned to eliminate duplicates Z: 13 19.639 1.854 0.572 0.906 1.000 0.667 CA 1.384 13 residues pruned to eliminate duplicates Z: 15 20.637 1.819 0.715 0.856 0.929 0.500 CA 1.404 15 residues pruned to eliminate duplicates Z: 14 22.423 1.814 0.817 0.776 1.000 0.308 CA 1.479 14 residues pruned to eliminate duplicates Z: 15 20.843 1.767 0.711 0.762 1.000 0.357 CB 1.460 15 residues pruned to eliminate duplicates Z: 15 21.340 1.797 0.649 0.863 1.000 0.429 CA 1.412 15 residues pruned to eliminate duplicates Z: 14 18.899 1.836 0.669 0.901 0.923 0.385 CB 1.323 14 residues pruned to eliminate duplicates Z: 15 20.980 1.803 0.768 0.862 0.929 0.429 CB 1.391 15 residues pruned to eliminate duplicates Z: 14 19.740 1.832 0.863 0.772 0.923 0.462 CB 1.366 14 residues pruned to eliminate duplicates Z: 17 18.550 1.734 0.762 0.802 0.875 0.500 CB 1.333 17 residues pruned to eliminate duplicates Z: 29 20.149 1.843 0.509 0.595 0.929 0.393 CB 1.347 29 residues pruned to eliminate duplicates Z: 23 18.566 1.916 0.510 0.589 0.909 0.455 CB 1.382 23 residues pruned to eliminate duplicates Z: 28 19.067 1.885 0.480 0.635 0.889 0.370 CB 1.304 28 residues pruned to eliminate duplicates Z: 27 22.515 1.884 0.564 0.641 0.923 0.423 CB 1.422 27 residues pruned to eliminate duplicates Z: 66 25.929 1.827 0.607 0.565 0.831 0.585 CB 1.239 66 residues pruned to eliminate duplicates Z: 27 20.156 1.813 0.524 0.603 0.923 0.423 CB 1.406 27 residues pruned to eliminate duplicates Z: 34 23.401 1.848 0.507 0.620 0.970 0.576 CB 1.348 34 residues pruned to eliminate duplicates Z: 28 15.949 1.806 0.556 0.489 0.852 0.556 CB 1.297 28 residues pruned to eliminate duplicates Z: 30 24.346 1.854 0.673 0.616 0.966 0.552 CB 1.352 30 residues pruned to eliminate duplicates Z: 20 16.220 1.916 0.516 0.585 0.947 0.684 CB 1.247 20 residues pruned to eliminate duplicates Z: 19 14.215 1.839 0.394 0.500 1.000 0.556 CB 1.307 19 residues pruned to eliminate duplicates Z: 29 23.347 1.871 0.498 0.646 0.964 0.536 CB 1.424 29 residues pruned to eliminate duplicates Z: 39 20.047 1.910 0.343 0.540 0.947 0.658 CB 1.287 39 residues pruned to eliminate duplicates Z: 21 14.801 1.782 0.435 0.503 1.000 0.400 CB 1.290 21 residues pruned to eliminate duplicates Z: 17 8.040 1.712 0.291 0.328 0.812 0.438 CB 1.351 17 residues pruned to eliminate duplicates Z: 22 14.200 1.841 0.567 0.493 0.905 0.524 CB 1.195 22 residues pruned to eliminate duplicates Z: 22 15.159 1.855 0.489 0.567 0.952 0.714 CB 1.178 22 residues pruned to eliminate duplicates Z: 33 14.456 1.854 0.361 0.433 0.844 0.562 CB 1.286 33 residues pruned to eliminate duplicates Z: 39 18.173 1.867 0.494 0.503 0.895 0.474 CB 1.179 39 residues pruned to eliminate duplicates Z: 32 20.751 1.856 0.619 0.531 0.935 0.613 CB 1.286 32 residues pruned to eliminate duplicates Z: 34 18.199 1.818 0.627 0.631 0.818 0.455 CB 1.157 34 residues pruned to eliminate duplicates Z: 23 10.758 1.766 0.396 0.465 0.955 0.636 CB 1.010 23 residues pruned to eliminate duplicates Z: 28 15.604 1.816 0.461 0.521 0.926 0.370 CB 1.197 28 residues pruned to eliminate duplicates Z: 25 13.391 1.830 0.411 0.501 0.875 0.500 CB 1.209 25 residues pruned to eliminate duplicates Z: 16 9.263 1.779 0.451 0.541 0.800 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 35 15.663 1.848 0.437 0.582 0.882 0.529 CB 1.059 35 residues pruned to eliminate duplicates Z: 16 6.728 1.818 0.264 0.390 0.867 0.400 CB 0.980 16 residues pruned to eliminate duplicates Z: 25 19.247 1.935 0.551 0.603 0.958 0.625 CB 1.238 25 residues pruned to eliminate duplicates Z: 34 21.258 1.828 0.615 0.486 0.970 0.576 CB 1.310 34 residues pruned to eliminate duplicates Z: 73 25.367 1.856 0.613 0.413 0.944 0.556 CB 1.159 73 residues pruned to eliminate duplicates Z: 8 6.917 1.796 0.433 0.544 0.857 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 39 17.236 1.878 0.479 0.460 0.842 0.474 CB 1.246 39 residues pruned to eliminate duplicates Z: 21 20.160 1.877 0.678 0.543 0.900 0.600 CB 1.524 21 residues pruned to eliminate duplicates Z: 36 15.897 1.905 0.537 0.434 0.800 0.514 CB 1.228 36 residues pruned to eliminate duplicates Z: 38 23.488 1.911 0.592 0.552 0.946 0.568 CB 1.275 38 residues pruned to eliminate duplicates Z: 80 34.871 1.966 0.576 0.504 0.911 0.620 CB 1.384 176 residues pruned to eliminate duplicates Z: 6 5.367 1.546 0.595 0.394 0.800 0.600 CA 1.361 Z: 11 3.679 1.333 0.626 0.257 0.700 0.600 CA 1.014 9 residues pruned to eliminate duplicates Z: 6 6.430 1.659 0.389 0.453 1.000 1.000 O 1.309 6 residues pruned to eliminate duplicates Z: 6 3.605 1.480 0.778 0.402 0.800 0.800 N 0.849 4 residues pruned to eliminate duplicates Z: 6 4.909 1.534 0.535 0.518 0.800 0.400 CA 1.144 Z: 6 8.525 1.440 0.854 0.668 1.000 0.600 CA 1.223 12 residues pruned to eliminate duplicates Z: 13 13.458 1.738 0.814 0.742 1.000 0.583 CB 0.992 14 residues pruned to eliminate duplicates Z: 6 7.731 1.745 0.881 0.654 0.800 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 13 20.136 1.838 0.784 0.883 1.000 0.833 CB 1.282 12 residues pruned to eliminate duplicates Z: 6 3.613 1.419 0.618 0.383 1.000 0.400 CA 0.797 5 residues pruned to eliminate duplicates Z: 6 4.888 1.702 0.744 0.311 0.800 0.400 CA 1.135 6 residues pruned to eliminate duplicates Z: 7 2.966 1.308 1.013 0.340 1.000 0.500 CA 0.548 7 residues pruned to eliminate duplicates Z: 11 7.168 1.915 0.561 0.435 0.800 0.400 CB 1.013 11 residues pruned to eliminate duplicates Z: 10 8.234 1.985 0.284 0.371 0.889 0.667 CB 1.392 10 residues pruned to eliminate duplicates Z: 29 13.104 1.814 0.329 0.426 0.893 0.321 CB 1.243 25 residues pruned to eliminate duplicates Z: 6 4.413 1.524 0.073 0.477 1.000 0.600 C 1.235 6 residues pruned to eliminate duplicates Z: 18 8.240 1.904 0.150 0.438 0.824 0.529 CB 1.182 18 residues pruned to eliminate duplicates Z: 27 10.770 1.847 0.294 0.410 0.846 0.423 CB 1.148 27 residues pruned to eliminate duplicates Z: 31 13.600 1.825 0.444 0.437 0.867 0.633 CB 1.160 37 residues pruned to eliminate duplicates Z: 6 4.787 1.931 0.195 0.248 0.800 0.600 N 1.550 6 residues pruned to eliminate duplicates Z: 19 9.620 1.840 0.231 0.374 0.889 0.444 CB 1.289 19 residues pruned to eliminate duplicates Z: 11 5.760 1.895 0.037 0.468 0.800 0.500 CB 1.197 11 residues pruned to eliminate duplicates Z: 16 7.143 1.780 0.375 0.331 0.800 0.467 CB 1.133 16 residues pruned to eliminate duplicates Z: 19 10.327 1.857 0.265 0.375 0.889 0.500 CB 1.332 19 residues pruned to eliminate duplicates Z: 6 6.666 1.802 1.008 0.322 0.800 0.400 N 1.253 6 residues pruned to eliminate duplicates Z: 10 6.424 1.651 0.370 0.366 0.778 0.556 CB 1.406 10 residues pruned to eliminate duplicates Z: 25 7.896 1.691 0.344 0.357 0.833 0.583 CB 0.994 25 residues pruned to eliminate duplicates Z: 24 8.451 1.673 0.478 0.323 0.783 0.391 CB 1.107 24 residues pruned to eliminate duplicates Z: 19 13.424 1.851 0.528 0.406 1.000 0.611 CB 1.235 20 residues pruned to eliminate duplicates Z: 7 4.943 1.494 0.421 0.551 0.833 0.667 CB 1.086 Z: 6 2.051 1.163 0.527 0.343 0.800 0.200 N 0.766 6 residues pruned to eliminate duplicates Z: 9 7.059 1.702 0.294 0.460 0.875 0.500 CB 1.349 9 residues pruned to eliminate duplicates Z: 12 5.731 1.727 0.332 0.380 0.727 0.545 CB 1.174 12 residues pruned to eliminate duplicates Z: 13 5.775 1.717 0.250 0.395 0.833 0.500 CB 1.041 19 residues pruned to eliminate duplicates Z: 19 9.770 1.732 0.443 0.279 0.889 0.556 CB 1.330 21 residues pruned to eliminate duplicates Z: 7 2.466 1.662 0.135 0.435 0.667 0.167 CB 0.857 7 residues pruned to eliminate duplicates Z: 18 8.864 1.653 0.629 0.405 0.882 0.412 CB 1.000 18 residues pruned to eliminate duplicates Z: 17 9.637 1.787 0.316 0.432 0.938 0.250 CB 1.173 17 residues pruned to eliminate duplicates Z: 20 11.672 1.714 0.509 0.375 0.947 0.421 CB 1.248 20 residues pruned to eliminate duplicates Z: 20 9.979 1.697 0.383 0.395 0.895 0.474 CB 1.218 20 residues pruned to eliminate duplicates Z: 20 10.755 1.738 0.355 0.394 0.895 0.421 CB 1.309 20 residues pruned to eliminate duplicates Z: 12 6.889 1.688 0.322 0.299 0.909 0.455 CB 1.281 18 residues pruned to eliminate duplicates Z: 11 7.777 1.701 0.383 0.343 0.900 0.300 CA 1.378 19 residues pruned to eliminate duplicates Z: 21 8.766 1.693 0.396 0.249 0.850 0.350 CB 1.303 21 residues pruned to eliminate duplicates 8 1.816 1.352 0.267 0.071 0.714 0.286 CA 0.982 ? Z: 31 21.311 1.896 0.617 0.593 0.867 0.533 CB 1.341 31 residues pruned to eliminate duplicates Z: 35 16.006 1.851 0.511 0.433 0.853 0.559 CB 1.233 43 residues pruned to eliminate duplicates Z: 19 25.613 1.958 0.630 0.809 1.000 0.778 CB 1.444 19 residues pruned to eliminate duplicates Z: 22 18.468 1.918 0.623 0.598 0.905 0.619 CB 1.304 22 residues pruned to eliminate duplicates Z: 19 26.076 1.922 0.709 0.832 1.000 0.667 CA 1.405 19 residues pruned to eliminate duplicates Z: 23 22.636 1.971 0.786 0.646 0.864 0.455 CB 1.385 24 residues pruned to eliminate duplicates Z: 18 21.487 1.979 0.636 0.794 0.882 0.647 CB 1.409 18 residues pruned to eliminate duplicates Z: 13 15.609 1.979 0.477 0.684 0.917 0.583 CB 1.420 13 residues pruned to eliminate duplicates Z: 22 22.476 1.940 0.742 0.634 0.952 0.476 CB 1.343 22 residues pruned to eliminate duplicates Z: 30 25.314 1.972 0.554 0.666 0.966 0.586 CB 1.363 30 residues pruned to eliminate duplicates Z: 17 17.176 1.842 0.788 0.643 0.875 0.562 CA 1.304 17 residues pruned to eliminate duplicates Z: 29 19.100 1.804 0.635 0.592 0.857 0.464 CB 1.307 29 residues pruned to eliminate duplicates Z: 32 24.513 1.950 0.660 0.618 0.871 0.613 CB 1.396 32 residues pruned to eliminate duplicates Z: 38 20.918 1.880 0.675 0.517 0.865 0.541 CB 1.241 38 residues pruned to eliminate duplicates Z: 35 20.547 1.854 0.474 0.591 0.941 0.588 CB 1.256 35 residues pruned to eliminate duplicates Z: 21 25.330 1.954 0.771 0.717 1.000 0.650 CB 1.344 21 residues pruned to eliminate duplicates Z: 7 8.808 2.037 0.736 0.408 0.833 0.667 CB 1.344 7 residues pruned to eliminate duplicates Z: 60 23.723 2.038 0.554 0.332 0.847 0.508 CB 1.383 60 residues pruned to eliminate duplicates Z: 8 7.935 1.817 0.623 0.551 0.857 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 19 13.268 1.892 0.627 0.430 0.833 0.667 CB 1.311 27 residues pruned to eliminate duplicates Z: 18 15.497 1.834 0.566 0.497 0.882 0.529 CB 1.487 18 residues pruned to eliminate duplicates Z: 25 12.263 1.867 0.477 0.355 0.917 0.542 CB 1.158 25 residues pruned to eliminate duplicates Z: 19 12.874 1.927 0.499 0.436 0.889 0.556 CB 1.262 19 residues pruned to eliminate duplicates Z: 32 23.703 1.953 0.604 0.613 0.935 0.613 CB 1.306 32 residues pruned to eliminate duplicates Z: 20 13.592 1.917 0.393 0.441 0.947 0.579 CB 1.309 20 residues pruned to eliminate duplicates Z: 18 15.287 1.966 0.462 0.435 1.000 0.647 CB 1.380 18 residues pruned to eliminate duplicates Z: 16 13.029 1.987 0.453 0.451 0.867 0.600 CB 1.414 16 residues pruned to eliminate duplicates Z: 18 14.299 1.935 0.501 0.481 0.941 0.588 CB 1.293 18 residues pruned to eliminate duplicates Z: 18 14.245 1.953 0.486 0.444 0.941 0.647 CB 1.339 18 residues pruned to eliminate duplicates Z: 19 12.026 1.934 0.540 0.416 0.833 0.611 CB 1.247 19 residues pruned to eliminate duplicates Z: 23 11.585 1.837 0.471 0.369 0.864 0.455 CB 1.218 23 residues pruned to eliminate duplicates Z: 24 12.208 1.798 0.520 0.308 0.870 0.522 CB 1.326 24 residues pruned to eliminate duplicates Z: 60 26.278 2.024 0.550 0.353 0.915 0.559 CB 1.396 60 residues pruned to eliminate duplicates Z: 44 19.842 2.010 0.471 0.329 0.930 0.605 CB 1.326 44 residues pruned to eliminate duplicates Z: 45 19.434 2.082 0.435 0.319 0.909 0.432 CB 1.317 45 residues pruned to eliminate duplicates Z: 41 22.384 2.089 0.623 0.341 0.875 0.450 CB 1.420 41 residues pruned to eliminate duplicates Z: 43 19.444 2.004 0.599 0.298 0.857 0.548 CB 1.368 43 residues pruned to eliminate duplicates Z: 47 20.484 2.074 0.560 0.317 0.870 0.587 CB 1.313 47 residues pruned to eliminate duplicates Z: 48 21.563 2.064 0.568 0.332 0.851 0.574 CB 1.372 48 residues pruned to eliminate duplicates Z: 43 20.681 2.048 0.501 0.313 0.857 0.595 CB 1.490 43 residues pruned to eliminate duplicates Z: 44 20.361 2.078 0.487 0.339 0.837 0.581 CB 1.431 44 residues pruned to eliminate duplicates Z: 46 19.407 2.064 0.421 0.347 0.822 0.489 CB 1.416 46 residues pruned to eliminate duplicates Z: 19 12.583 2.005 0.513 0.343 0.944 0.667 CB 1.228 19 residues pruned to eliminate duplicates Z: 42 24.501 2.101 0.632 0.336 0.902 0.585 CB 1.480 42 residues pruned to eliminate duplicates Z: 44 22.724 2.072 0.555 0.348 0.884 0.512 CB 1.436 44 residues pruned to eliminate duplicates Z: 36 24.843 2.145 0.590 0.359 0.914 0.657 CB 1.567 36 residues pruned to eliminate duplicates Z: 42 23.373 2.097 0.619 0.339 0.829 0.463 CB 1.545 42 residues pruned to eliminate duplicates Z: 36 21.945 2.104 0.602 0.374 0.829 0.629 CB 1.519 36 residues pruned to eliminate duplicates Z: 49 19.437 1.979 0.484 0.314 0.854 0.438 CB 1.373 49 residues pruned to eliminate duplicates Z: 42 24.018 2.098 0.673 0.320 0.878 0.585 CB 1.484 42 residues pruned to eliminate duplicates Z: 42 25.683 2.113 0.676 0.344 0.927 0.634 CB 1.448 42 residues pruned to eliminate duplicates Z: 41 27.854 2.101 0.634 0.366 0.975 0.550 CB 1.519 41 residues pruned to eliminate duplicates Z: 44 22.494 2.074 0.602 0.285 0.907 0.442 CB 1.450 44 residues pruned to eliminate duplicates Z: 42 25.552 2.116 0.650 0.323 0.927 0.561 CB 1.498 42 residues pruned to eliminate duplicates Z: 37 24.465 2.147 0.583 0.371 0.944 0.694 CB 1.459 37 residues pruned to eliminate duplicates Z: 58 21.840 1.948 0.555 0.351 0.842 0.421 CB 1.332 58 residues pruned to eliminate duplicates Z: 42 25.470 2.091 0.709 0.320 0.951 0.610 CB 1.426 42 residues pruned to eliminate duplicates Z: 60 26.113 2.034 0.606 0.380 0.915 0.508 CB 1.292 60 residues pruned to eliminate duplicates Z: 73 33.618 2.028 0.714 0.448 0.889 0.542 CB 1.354 74 residues pruned to eliminate duplicates Z: 6 11.086 2.206 0.801 0.382 1.000 0.800 CA 1.415 6 residues pruned to eliminate duplicates Z: 44 22.970 2.078 0.658 0.327 0.907 0.535 CB 1.355 44 residues pruned to eliminate duplicates Z: 33 23.220 2.105 0.708 0.324 0.906 0.531 CB 1.529 33 residues pruned to eliminate duplicates Z: 42 22.377 2.097 0.546 0.354 0.878 0.585 CB 1.438 42 residues pruned to eliminate duplicates Z: 59 28.626 2.048 0.720 0.375 0.879 0.569 CB 1.387 59 residues pruned to eliminate duplicates Z: 35 27.769 2.151 0.694 0.380 0.941 0.706 CB 1.579 35 residues pruned to eliminate duplicates Z: 11 15.521 2.117 0.550 0.438 1.000 0.700 N 1.595 11 residues pruned to eliminate duplicates Z: 13 14.289 2.035 0.882 0.397 0.833 0.667 CA 1.440 13 residues pruned to eliminate duplicates Z: 53 20.153 1.995 0.548 0.312 0.846 0.577 CB 1.317 53 residues pruned to eliminate duplicates Z: 37 23.559 2.151 0.523 0.332 0.944 0.667 CB 1.525 37 residues pruned to eliminate duplicates Z: 18 13.780 1.904 0.522 0.371 0.941 0.647 CB 1.407 18 residues pruned to eliminate duplicates Z: 47 22.828 2.072 0.657 0.331 0.913 0.696 CB 1.292 47 residues pruned to eliminate duplicates Z: 50 24.045 2.005 0.686 0.320 0.857 0.592 CB 1.445 50 residues pruned to eliminate duplicates Z: 52 25.738 2.036 0.581 0.393 0.824 0.627 CA 1.522 52 residues pruned to eliminate duplicates Z: 18 14.934 2.006 0.574 0.421 0.882 0.706 CB 1.411 18 residues pruned to eliminate duplicates Z: 21 14.715 2.015 0.706 0.348 0.900 0.650 CB 1.253 21 residues pruned to eliminate duplicates Z: 22 18.795 1.995 0.720 0.364 0.952 0.667 CB 1.453 22 residues pruned to eliminate duplicates Z: 16 15.408 2.016 0.558 0.468 0.933 0.800 CB 1.402 16 residues pruned to eliminate duplicates Z: 46 22.353 2.095 0.544 0.349 0.844 0.667 CB 1.437 46 residues pruned to eliminate duplicates Z: 16 9.146 1.811 0.474 0.501 0.800 0.467 CB 1.105 16 residues pruned to eliminate duplicates Z: 17 12.617 1.837 0.536 0.494 0.875 0.438 CB 1.285 17 residues pruned to eliminate duplicates Z: 7 3.811 1.897 0.261 0.381 0.667 0.500 CA 1.107 7 residues pruned to eliminate duplicates Z: 11 11.195 1.917 0.446 0.519 0.900 0.300 CB 1.392 11 residues pruned to eliminate duplicates Z: 19 10.602 1.728 0.250 0.512 0.833 0.444 CA 1.372 19 residues pruned to eliminate duplicates Z: 18 13.030 1.798 0.624 0.494 0.882 0.647 CB 1.234 18 residues pruned to eliminate duplicates Z: 12 13.018 1.834 0.605 0.587 0.818 0.455 CA 1.499 12 residues pruned to eliminate duplicates Z: 65 25.311 1.961 0.578 0.374 0.891 0.547 CB 1.313 65 residues pruned to eliminate duplicates Z: 23 11.695 1.877 0.328 0.463 0.864 0.500 CB 1.202 23 residues pruned to eliminate duplicates Z: 18 11.167 1.840 0.649 0.452 0.765 0.529 CA 1.226 18 residues pruned to eliminate duplicates Z: 19 13.233 1.815 0.514 0.523 0.889 0.500 CB 1.247 19 residues pruned to eliminate duplicates Z: 26 12.018 1.852 0.543 0.415 0.800 0.320 CB 1.149 26 residues pruned to eliminate duplicates Z: 9 2.734 1.797 0.226 0.242 0.750 0.375 CB 0.789 9 residues pruned to eliminate duplicates Z: 38 17.039 1.950 0.417 0.408 0.811 0.541 CB 1.377 38 residues pruned to eliminate duplicates Z: 8 4.138 1.737 0.047 0.271 0.857 0.571 N 1.300 8 residues pruned to eliminate duplicates Z: 23 12.311 1.861 0.417 0.413 0.864 0.636 CB 1.262 23 residues pruned to eliminate duplicates Z: 20 13.553 1.867 0.443 0.528 0.895 0.684 CB 1.255 20 residues pruned to eliminate duplicates Z: 64 27.075 2.032 0.620 0.371 0.873 0.571 CB 1.362 64 residues pruned to eliminate duplicates Z: 12 5.236 1.607 0.403 0.266 0.818 0.273 CB 1.118 12 residues pruned to eliminate duplicates Z: 17 6.070 1.638 0.368 0.166 0.875 0.250 N 1.162 21 residues pruned to eliminate duplicates Z: 6 4.107 1.634 0.321 0.303 0.800 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 8 6.012 1.659 0.337 0.344 1.000 0.286 CB 1.214 8 residues pruned to eliminate duplicates Z: 20 12.021 1.860 0.534 0.283 0.842 0.526 CB 1.466 20 residues pruned to eliminate duplicates Z: 25 14.335 1.819 0.377 0.440 0.875 0.583 CB 1.421 25 residues pruned to eliminate duplicates Z: 24 13.155 1.825 0.482 0.435 0.783 0.522 CB 1.386 24 residues pruned to eliminate duplicates Z: 49 20.443 1.886 0.488 0.410 0.833 0.438 CB 1.387 22 residues pruned to eliminate duplicates Z: 6 2.470 1.528 0.535 0.171 0.800 0.200 N 0.877 6 residues pruned to eliminate duplicates Z: 23 13.113 1.795 0.386 0.414 0.864 0.500 CB 1.423 23 residues pruned to eliminate duplicates Z: 22 8.749 1.836 0.173 0.321 0.810 0.381 CB 1.333 22 residues pruned to eliminate duplicates Z: 38 17.097 1.828 0.393 0.363 0.919 0.432 CB 1.393 38 residues pruned to eliminate duplicates Z: 16 8.548 1.903 0.416 0.295 0.800 0.467 CB 1.287 16 residues pruned to eliminate duplicates Z: 23 13.499 1.891 0.499 0.435 0.727 0.364 CA 1.492 23 residues pruned to eliminate duplicates Z: 27 10.717 1.802 0.408 0.251 0.808 0.346 N 1.365 27 residues pruned to eliminate duplicates Z: 16 11.827 1.799 0.557 0.352 0.867 0.467 CA 1.476 16 residues pruned to eliminate duplicates Z: 22 13.387 1.825 0.338 0.494 0.857 0.619 CA 1.404 22 residues pruned to eliminate duplicates Z: 22 13.614 1.834 0.320 0.433 0.952 0.524 CA 1.381 22 residues pruned to eliminate duplicates Z: 22 14.911 1.797 0.444 0.432 0.952 0.619 CB 1.413 22 residues pruned to eliminate duplicates Z: 39 16.494 1.824 0.392 0.403 0.842 0.447 CB 1.387 64 residues pruned to eliminate duplicates Z: 21 13.197 1.838 0.412 0.446 0.850 0.700 CA 1.413 Z: 7 7.151 1.724 0.824 0.321 1.000 0.667 CA 1.130 7 residues pruned to eliminate duplicates Z: 23 14.707 1.791 0.465 0.394 0.909 0.591 CB 1.471 22 residues pruned to eliminate duplicates Z: 8 3.119 1.289 0.587 0.341 0.714 0.286 N 0.959 8 residues pruned to eliminate duplicates Z: 22 15.406 1.776 0.622 0.424 0.952 0.714 CA 1.327 20 residues pruned to eliminate duplicates Z: 10 9.599 1.574 0.195 0.814 1.000 0.667 O 1.295 10 residues pruned to eliminate duplicates Z: 22 14.705 1.814 0.524 0.453 0.905 0.667 CB 1.346 22 residues pruned to eliminate duplicates Z: 25 16.837 1.823 0.537 0.456 0.917 0.542 CB 1.400 25 residues pruned to eliminate duplicates Z: 17 13.268 1.837 0.512 0.598 0.875 0.438 CB 1.244 17 residues pruned to eliminate duplicates Z: 15 16.658 1.916 0.694 0.649 0.929 0.643 CB 1.286 15 residues pruned to eliminate duplicates Z: 17 15.821 1.872 0.721 0.619 0.875 0.562 CB 1.254 17 residues pruned to eliminate duplicates Z: 25 13.833 1.828 0.426 0.468 0.833 0.417 CB 1.342 25 residues pruned to eliminate duplicates Z: 17 16.893 1.875 0.722 0.633 0.938 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 11 9.462 1.830 0.410 0.810 1.000 1.000 CB 0.885 11 residues pruned to eliminate duplicates Z: 6 3.773 1.659 0.579 0.752 0.800 0.800 CB 0.643 6 residues pruned to eliminate duplicates Z: 10 10.986 1.839 0.875 0.911 1.000 1.000 CB 0.753 10 residues pruned to eliminate duplicates Z: 10 12.724 1.864 0.870 0.928 1.000 1.000 CB 0.852 10 residues pruned to eliminate duplicates Z: 10 10.715 1.832 0.911 0.898 0.889 0.778 CB 0.821 10 residues pruned to eliminate duplicates Z: 12 11.198 1.783 0.734 0.765 1.000 0.909 CB 0.863 12 residues pruned to eliminate duplicates Z: 10 9.585 1.844 0.605 0.908 1.000 0.889 CB 0.767 10 residues pruned to eliminate duplicates Z: 11 10.471 1.828 0.629 0.836 1.000 1.000 CB 0.832 11 residues pruned to eliminate duplicates Z: 10 9.953 1.869 0.404 0.907 1.000 0.889 CB 0.899 10 residues pruned to eliminate duplicates Z: 27 17.668 1.839 0.408 0.687 0.962 0.769 CB 1.172 28 residues pruned to eliminate duplicates Z: 12 13.846 1.777 0.677 0.879 1.000 0.818 CB 1.016 12 residues pruned to eliminate duplicates Z: 15 11.465 1.709 0.807 0.786 0.929 0.714 CB 0.830 16 residues pruned to eliminate duplicates Z: 14 12.050 1.768 0.567 0.881 1.000 0.769 CB 0.874 14 residues pruned to eliminate duplicates Z: 17 9.459 1.785 0.256 0.422 0.875 0.438 CB 1.307 17 residues pruned to eliminate duplicates Z: 15 7.963 1.809 0.267 0.432 0.857 0.429 CB 1.163 15 residues pruned to eliminate duplicates Z: 25 15.226 1.694 0.655 0.570 0.958 0.500 CB 1.082 25 residues pruned to eliminate duplicates 6 1.537 1.331 0.652 0.358 1.000 0.800 CB 0.364 ? Z: 6 2.688 1.296 0.577 0.481 0.800 0.400 O 0.750 Z: 6 4.423 1.551 0.242 0.469 1.000 0.200 CB 1.060 Z: 6 6.640 1.771 0.860 0.317 0.800 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 34 19.481 1.853 0.490 0.556 0.970 0.758 CB 1.200 34 residues pruned to eliminate duplicates Z: 15 7.898 1.912 0.314 0.286 0.929 0.714 CA 1.151 15 residues pruned to eliminate duplicates Z: 17 8.757 1.836 0.532 0.270 0.875 0.500 CA 1.155 17 residues pruned to eliminate duplicates Z: 28 19.593 1.976 0.514 0.550 0.926 0.667 CA 1.296 28 residues pruned to eliminate duplicates Z: 29 18.595 1.931 0.431 0.533 1.000 0.750 CA 1.230 29 residues pruned to eliminate duplicates Z: 45 20.973 1.819 0.570 0.491 0.955 0.545 CB 1.170 45 residues pruned to eliminate duplicates Z: 39 19.419 1.856 0.419 0.503 0.974 0.711 CA 1.225 39 residues pruned to eliminate duplicates Z: 46 22.527 1.833 0.546 0.502 0.933 0.667 CB 1.267 46 residues pruned to eliminate duplicates Z: 46 26.410 1.874 0.553 0.557 0.956 0.711 CB 1.339 46 residues pruned to eliminate duplicates Z: 50 24.353 1.803 0.520 0.523 0.959 0.673 CB 1.295 50 residues pruned to eliminate duplicates Z: 32 21.519 1.899 0.452 0.630 0.968 0.710 CA 1.282 32 residues pruned to eliminate duplicates Z: 50 27.211 1.853 0.576 0.552 0.959 0.714 CB 1.320 50 residues pruned to eliminate duplicates Z: 30 19.780 1.953 0.453 0.532 1.000 0.655 CA 1.254 30 residues pruned to eliminate duplicates Z: 20 14.868 1.900 0.635 0.612 0.842 0.632 CB 1.173 20 residues pruned to eliminate duplicates Z: 43 25.579 1.857 0.663 0.574 0.976 0.667 CA 1.220 43 residues pruned to eliminate duplicates Z: 50 23.618 1.795 0.619 0.503 0.898 0.531 CB 1.289 50 residues pruned to eliminate duplicates Z: 14 8.087 1.640 0.543 0.396 0.769 0.538 CA 1.285 14 residues pruned to eliminate duplicates Z: 42 25.978 1.871 0.595 0.577 1.000 0.707 CB 1.262 42 residues pruned to eliminate duplicates Z: 49 28.191 1.860 0.655 0.576 0.958 0.688 CA 1.281 48 residues pruned to eliminate duplicates Z: 15 14.412 1.756 0.530 0.787 0.929 0.643 CB 1.200 15 residues pruned to eliminate duplicates Z: 41 27.819 1.893 0.677 0.594 1.000 0.650 CB 1.267 37 residues pruned to eliminate duplicates Z: 21 18.476 1.718 0.573 0.815 0.950 0.600 CB 1.223 21 residues pruned to eliminate duplicates Z: 43 27.265 1.862 0.737 0.562 0.929 0.690 CB 1.319 41 residues pruned to eliminate duplicates Z: 19 20.319 1.836 0.659 0.888 0.944 0.667 CB 1.199 19 residues pruned to eliminate duplicates Z: 36 27.210 1.924 0.661 0.614 1.000 0.657 CA 1.292 36 residues pruned to eliminate duplicates Z: 38 24.897 1.904 0.622 0.593 0.973 0.622 CA 1.247 38 residues pruned to eliminate duplicates Z: 34 21.272 1.819 0.716 0.597 0.939 0.576 CB 1.152 34 residues pruned to eliminate duplicates Z: 58 25.613 1.803 0.530 0.531 0.947 0.702 CB 1.259 58 residues pruned to eliminate duplicates Z: 56 29.632 1.839 0.712 0.554 0.964 0.655 CB 1.250 56 residues pruned to eliminate duplicates Z: 43 24.377 1.841 0.643 0.576 0.976 0.619 CB 1.184 43 residues pruned to eliminate duplicates Z: 45 26.359 1.845 0.682 0.561 0.977 0.659 CB 1.235 45 residues pruned to eliminate duplicates Z: 45 25.693 1.857 0.647 0.548 0.977 0.682 CB 1.237 45 residues pruned to eliminate duplicates Z: 41 24.289 1.873 0.702 0.576 0.900 0.675 CB 1.244 41 residues pruned to eliminate duplicates Z: 51 24.266 1.752 0.692 0.519 0.920 0.480 CB 1.235 51 residues pruned to eliminate duplicates Z: 15 11.103 1.698 0.496 0.546 0.929 0.500 CB 1.203 15 residues pruned to eliminate duplicates 6 0.450 0.896 0.705 0.277 0.800 0.400 N 0.212 ? Z: 6 4.853 1.628 0.554 0.640 1.000 0.800 CA 0.752 5 residues pruned to eliminate duplicates Z: 6 7.052 1.626 0.761 0.673 1.000 0.800 CA 0.939 6 residues pruned to eliminate duplicates Z: 7 9.968 1.926 0.306 0.541 1.000 1.000 CA 1.553 15 residues pruned to eliminate duplicates Z: 28 20.702 1.880 0.458 0.703 0.889 0.815 CB 1.360 28 residues pruned to eliminate duplicates Z: 27 18.097 1.969 0.275 0.647 0.923 0.692 CB 1.335 27 residues pruned to eliminate duplicates Z: 31 23.292 1.890 0.525 0.697 0.967 0.800 CB 1.274 31 residues pruned to eliminate duplicates Z: 31 21.543 1.876 0.434 0.684 0.967 0.767 CB 1.278 31 residues pruned to eliminate duplicates Z: 30 21.746 1.916 0.502 0.692 0.931 0.690 CB 1.264 30 residues pruned to eliminate duplicates Z: 27 22.692 1.922 0.503 0.693 0.962 0.769 CB 1.344 27 residues pruned to eliminate duplicates Z: 32 21.638 1.837 0.451 0.660 0.968 0.613 CB 1.299 32 residues pruned to eliminate duplicates Z: 30 20.219 1.905 0.467 0.657 0.897 0.655 CB 1.295 30 residues pruned to eliminate duplicates Z: 26 20.869 1.917 0.479 0.656 0.920 0.800 CB 1.384 26 residues pruned to eliminate duplicates Z: 30 20.598 1.920 0.438 0.669 0.897 0.793 CB 1.322 30 residues pruned to eliminate duplicates Z: 31 19.490 1.856 0.468 0.671 0.900 0.700 CB 1.239 31 residues pruned to eliminate duplicates Z: 32 19.452 1.884 0.312 0.658 0.968 0.742 CB 1.262 32 residues pruned to eliminate duplicates Z: 31 24.066 1.877 0.521 0.694 0.933 0.800 CB 1.382 31 residues pruned to eliminate duplicates Z: 10 12.310 1.935 0.457 0.788 0.889 0.889 CB 1.271 10 residues pruned to eliminate duplicates Z: 25 18.785 1.896 0.402 0.596 0.958 0.792 CB 1.374 25 residues pruned to eliminate duplicates Z: 29 21.490 1.926 0.409 0.666 0.929 0.750 CB 1.382 29 residues pruned to eliminate duplicates Z: 30 23.338 1.905 0.395 0.715 1.000 0.793 CB 1.342 30 residues pruned to eliminate duplicates Z: 30 22.899 1.880 0.620 0.678 0.931 0.828 CB 1.274 30 residues pruned to eliminate duplicates Z: 11 16.664 1.859 0.598 0.804 1.000 0.900 CB 1.361 11 residues pruned to eliminate duplicates Z: 35 23.182 1.867 0.531 0.655 0.941 0.676 CB 1.280 46 residues pruned to eliminate duplicates Z: 6 2.432 1.378 0.242 0.336 0.800 0.400 CA 0.950 6 residues pruned to eliminate duplicates Z: 9 4.485 1.655 -0.028 0.504 0.875 0.750 CB 1.122 9 residues pruned to eliminate duplicates Z: 10 3.714 1.611 0.104 0.542 0.778 0.556 CB 0.859 10 residues pruned to eliminate duplicates Z: 11 3.903 1.625 0.376 0.419 0.800 0.500 CB 0.750 11 residues pruned to eliminate duplicates Z: 10 6.023 1.743 0.577 0.692 0.889 0.889 CB 0.690 10 residues pruned to eliminate duplicates Z: 14 7.480 1.811 0.450 0.570 0.846 0.769 CB 0.873 14 residues pruned to eliminate duplicates Z: 16 5.673 1.735 0.467 0.547 0.867 0.667 CB 0.634 16 residues pruned to eliminate duplicates Z: 8 9.703 1.925 0.469 0.735 1.000 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 19 9.112 1.724 0.447 0.478 0.944 0.556 CB 0.932 19 residues pruned to eliminate duplicates Z: 8 6.990 1.900 0.377 0.720 1.000 0.429 CB 0.828 8 residues pruned to eliminate duplicates Z: 11 8.434 1.801 0.558 0.600 1.000 0.700 CB 0.864 11 residues pruned to eliminate duplicates Z: 9 5.174 1.730 0.665 0.774 1.000 0.500 CB 0.498 9 residues pruned to eliminate duplicates Z: 51 21.419 1.935 0.569 0.450 0.880 0.500 CB 1.193 87 residues pruned to eliminate duplicates Z: 7 3.077 1.439 0.934 0.495 0.500 0.500 N 0.908 7 residues pruned to eliminate duplicates Z: 15 7.717 1.681 0.622 0.349 0.643 0.500 N 1.387 15 residues pruned to eliminate duplicates Z: 26 19.745 2.095 0.612 0.323 0.920 0.600 CA 1.545 26 residues pruned to eliminate duplicates Z: 36 22.205 2.078 0.605 0.359 0.914 0.657 CB 1.433 36 residues pruned to eliminate duplicates Z: 37 21.057 2.040 0.554 0.391 0.861 0.639 CB 1.442 37 residues pruned to eliminate duplicates Z: 36 19.404 2.066 0.533 0.349 0.857 0.571 CB 1.424 36 residues pruned to eliminate duplicates Z: 38 21.117 2.076 0.638 0.338 0.865 0.595 CB 1.409 38 residues pruned to eliminate duplicates Z: 36 24.408 2.059 0.669 0.391 0.943 0.714 CB 1.430 36 residues pruned to eliminate duplicates Z: 35 22.880 2.063 0.674 0.372 0.912 0.618 CB 1.429 35 residues pruned to eliminate duplicates Z: 20 16.719 2.020 0.780 0.404 0.895 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 36 21.291 2.067 0.575 0.372 0.886 0.543 CB 1.431 36 residues pruned to eliminate duplicates Z: 38 22.054 2.041 0.547 0.381 0.919 0.568 CB 1.419 38 residues pruned to eliminate duplicates Z: 36 24.206 2.084 0.577 0.380 0.971 0.657 CA 1.456 36 residues pruned to eliminate duplicates Z: 39 21.587 2.013 0.689 0.336 0.895 0.579 CB 1.378 39 residues pruned to eliminate duplicates Z: 34 24.019 2.130 0.662 0.380 0.909 0.667 CB 1.476 34 residues pruned to eliminate duplicates Z: 35 23.132 2.079 0.667 0.371 1.000 0.588 CB 1.315 35 residues pruned to eliminate duplicates Z: 35 23.394 2.095 0.546 0.385 0.941 0.559 CB 1.486 35 residues pruned to eliminate duplicates Z: 37 23.675 2.093 0.614 0.368 0.917 0.556 CB 1.468 37 residues pruned to eliminate duplicates Z: 37 18.479 2.004 0.482 0.373 0.889 0.694 CB 1.337 37 residues pruned to eliminate duplicates Z: 37 26.714 2.077 0.652 0.410 0.944 0.667 CA 1.509 37 residues pruned to eliminate duplicates Z: 23 19.394 2.130 0.700 0.327 0.909 0.591 CA 1.518 23 residues pruned to eliminate duplicates Z: 38 22.695 2.040 0.747 0.368 0.838 0.649 CB 1.439 38 residues pruned to eliminate duplicates Z: 43 24.164 2.051 0.587 0.417 0.929 0.548 CB 1.346 43 residues pruned to eliminate duplicates Z: 39 23.267 2.046 0.675 0.360 0.895 0.553 CA 1.431 39 residues pruned to eliminate duplicates Z: 35 23.706 2.054 0.681 0.395 0.912 0.647 CB 1.443 35 residues pruned to eliminate duplicates Z: 35 22.324 2.057 0.682 0.390 0.912 0.647 CB 1.364 35 residues pruned to eliminate duplicates Z: 16 11.848 1.975 0.658 0.359 0.867 0.667 CB 1.255 Z: 6 3.698 1.400 0.466 0.377 1.000 0.800 CA 0.919 6 residues pruned to eliminate duplicates Z: 36 24.284 2.056 0.705 0.367 0.943 0.600 CA 1.432 52 residues pruned to eliminate duplicates Z: 35 22.045 2.110 0.638 0.364 0.882 0.647 CB 1.434 35 residues pruned to eliminate duplicates Z: 39 22.056 2.028 0.709 0.349 0.895 0.526 CA 1.359 39 residues pruned to eliminate duplicates Z: 39 22.465 2.066 0.623 0.342 0.868 0.658 CB 1.486 39 residues pruned to eliminate duplicates Z: 14 9.683 1.852 0.502 0.379 0.846 0.615 CA 1.298 8 residues pruned to eliminate duplicates Z: 7 5.793 1.402 0.589 0.528 1.000 0.667 C 1.032 7 residues pruned to eliminate duplicates Z: 8 5.316 1.672 0.581 0.251 0.857 0.571 CB 1.180 8 residues pruned to eliminate duplicates Z: 8 7.763 1.620 0.847 0.343 1.000 0.143 N 1.163 8 residues pruned to eliminate duplicates Z: 13 5.943 1.380 0.744 0.318 0.750 0.250 O 1.161 13 residues pruned to eliminate duplicates Z: 20 8.218 1.629 0.345 0.433 0.789 0.316 CB 1.168 20 residues pruned to eliminate duplicates Z: 15 11.297 1.650 0.682 0.545 0.857 0.429 CB 1.214 15 residues pruned to eliminate duplicates Z: 17 9.812 1.643 0.666 0.553 0.875 0.312 CB 0.973 17 residues pruned to eliminate duplicates Z: 9 11.169 1.555 0.598 0.828 1.000 0.750 CB 1.196 9 residues pruned to eliminate duplicates Z: 15 8.609 1.691 0.373 0.560 0.857 0.286 CB 1.090 15 residues pruned to eliminate duplicates Z: 16 9.009 1.726 0.169 0.588 0.867 0.600 CB 1.222 16 residues pruned to eliminate duplicates Z: 18 10.515 1.586 0.492 0.468 0.882 0.471 CB 1.262 18 residues pruned to eliminate duplicates Z: 32 11.946 1.619 0.448 0.410 0.871 0.516 CB 1.154 32 residues pruned to eliminate duplicates Z: 23 13.378 1.648 0.470 0.475 0.955 0.545 CB 1.266 21 residues pruned to eliminate duplicates Z: 6 4.415 1.447 0.373 0.381 1.000 0.800 N 1.128 7 residues pruned to eliminate duplicates Z: 6 5.605 1.731 0.664 0.370 0.800 0.400 CA 1.251 6 residues pruned to eliminate duplicates Z: 43 25.044 1.933 0.509 0.482 0.929 0.571 CB 1.452 23 residues pruned to eliminate duplicates Z: 6 6.389 1.764 0.539 0.320 1.000 0.400 CA 1.283 6 residues pruned to eliminate duplicates Z: 30 20.713 1.997 0.348 0.516 0.931 0.724 CA 1.510 30 residues pruned to eliminate duplicates Z: 47 31.287 2.050 0.462 0.529 0.957 0.761 CB 1.564 47 residues pruned to eliminate duplicates Z: 46 30.610 2.018 0.517 0.522 0.933 0.800 CB 1.564 46 residues pruned to eliminate duplicates Z: 48 27.982 2.005 0.449 0.518 0.957 0.660 CB 1.442 48 residues pruned to eliminate duplicates Z: 51 31.562 2.033 0.436 0.539 0.940 0.780 CB 1.565 51 residues pruned to eliminate duplicates Z: 48 29.331 2.017 0.412 0.549 0.957 0.766 CB 1.496 48 residues pruned to eliminate duplicates Z: 36 26.127 2.032 0.549 0.549 0.886 0.714 CB 1.509 36 residues pruned to eliminate duplicates Z: 43 35.105 2.051 0.625 0.559 0.976 0.762 CB 1.573 43 residues pruned to eliminate duplicates Z: 46 31.340 2.008 0.525 0.549 0.978 0.800 CB 1.488 46 residues pruned to eliminate duplicates Z: 49 31.977 2.011 0.589 0.513 0.938 0.729 CB 1.521 49 residues pruned to eliminate duplicates Z: 46 29.844 1.989 0.565 0.543 0.956 0.711 CB 1.433 46 residues pruned to eliminate duplicates Z: 47 31.016 2.004 0.623 0.533 0.935 0.739 CB 1.455 47 residues pruned to eliminate duplicates Z: 47 30.368 2.029 0.455 0.536 0.957 0.739 CB 1.531 47 residues pruned to eliminate duplicates Z: 50 32.718 1.969 0.521 0.544 0.959 0.714 CB 1.559 50 residues pruned to eliminate duplicates Z: 28 16.269 1.770 0.586 0.567 0.815 0.556 CB 1.283 28 residues pruned to eliminate duplicates Z: 44 29.855 2.038 0.506 0.560 0.930 0.674 CB 1.504 44 residues pruned to eliminate duplicates Z: 44 32.682 2.014 0.669 0.546 0.930 0.651 CB 1.524 44 residues pruned to eliminate duplicates Z: 46 30.936 2.001 0.659 0.535 0.911 0.644 CB 1.473 46 residues pruned to eliminate duplicates Z: 46 35.885 2.042 0.617 0.570 0.978 0.756 CB 1.549 46 residues pruned to eliminate duplicates Z: 34 25.403 2.023 0.632 0.577 0.879 0.667 CB 1.415 34 residues pruned to eliminate duplicates Z: 42 37.044 2.052 0.766 0.579 0.951 0.756 CB 1.556 42 residues pruned to eliminate duplicates Z: 45 34.177 2.023 0.719 0.557 0.955 0.636 CB 1.469 45 residues pruned to eliminate duplicates Z: 52 32.134 2.022 0.507 0.506 0.941 0.627 CB 1.560 52 residues pruned to eliminate duplicates Z: 42 33.505 2.036 0.734 0.545 0.927 0.683 CB 1.530 42 residues pruned to eliminate duplicates Z: 35 27.850 1.994 0.581 0.626 0.971 0.647 CB 1.387 35 residues pruned to eliminate duplicates Z: 41 36.297 2.070 0.689 0.585 0.975 0.675 CB 1.551 41 residues pruned to eliminate duplicates Z: 45 31.076 2.017 0.621 0.546 0.932 0.705 CB 1.470 45 residues pruned to eliminate duplicates Z: 42 34.378 2.068 0.696 0.588 0.951 0.732 CB 1.479 42 residues pruned to eliminate duplicates Z: 38 29.558 2.035 0.563 0.589 0.973 0.730 CB 1.442 38 residues pruned to eliminate duplicates Z: 43 32.582 2.049 0.681 0.571 0.929 0.738 CB 1.469 43 residues pruned to eliminate duplicates Z: 42 35.189 2.067 0.625 0.570 0.976 0.780 CB 1.568 42 residues pruned to eliminate duplicates Z: 47 30.332 1.974 0.595 0.562 0.913 0.696 CB 1.465 47 residues pruned to eliminate duplicates Z: 44 34.539 2.030 0.695 0.552 0.953 0.628 CB 1.527 44 residues pruned to eliminate duplicates Z: 53 30.959 1.963 0.584 0.522 0.923 0.654 CB 1.464 53 residues pruned to eliminate duplicates Z: 56 35.245 1.979 0.627 0.499 0.964 0.600 CB 1.533 56 residues pruned to eliminate duplicates Z: 66 36.761 2.014 0.606 0.525 0.938 0.569 CB 1.465 52 residues pruned to eliminate duplicates Z: 8 5.718 1.524 0.365 0.419 1.000 0.429 CB 1.131 Z: 6 3.091 1.537 0.592 0.323 0.800 0.400 CA 0.858 6 residues pruned to eliminate duplicates Z: 10 11.014 1.794 0.254 0.601 1.000 0.667 N 1.482 15 residues pruned to eliminate duplicates Z: 6 5.872 1.712 0.586 0.267 1.000 0.600 CA 1.262 Z: 6 5.243 1.652 0.501 0.482 1.000 0.600 N 0.963 Z: 6 3.067 1.704 0.447 0.434 0.800 0.200 CB 0.745 4 residues pruned to eliminate duplicates Z: 7 5.679 1.679 0.547 0.368 0.833 0.333 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 5.027 1.817 0.595 0.251 0.800 0.000 CB 1.292 5 residues pruned to eliminate duplicates Z: 7 6.042 1.601 0.437 0.556 1.000 0.500 CA 1.015 7 residues pruned to eliminate duplicates Z: 37 19.620 1.856 0.544 0.650 0.944 0.611 CB 1.051 37 residues pruned to eliminate duplicates Z: 30 19.095 1.890 0.474 0.656 0.966 0.690 CB 1.140 30 residues pruned to eliminate duplicates Z: 28 16.731 1.870 0.470 0.631 0.926 0.630 CB 1.119 28 residues pruned to eliminate duplicates Z: 35 21.696 1.834 0.626 0.665 0.941 0.618 CB 1.137 35 residues pruned to eliminate duplicates Z: 22 18.862 1.882 0.607 0.715 0.952 0.762 CB 1.176 22 residues pruned to eliminate duplicates Z: 18 13.533 1.874 0.370 0.611 0.941 0.588 CB 1.223 18 residues pruned to eliminate duplicates Z: 26 17.331 1.907 0.510 0.662 0.960 0.880 CB 1.079 26 residues pruned to eliminate duplicates Z: 26 17.752 1.868 0.659 0.671 0.960 0.800 CB 1.020 26 residues pruned to eliminate duplicates Z: 37 17.335 1.792 0.473 0.581 0.917 0.583 CB 1.105 37 residues pruned to eliminate duplicates Z: 37 23.353 1.881 0.493 0.675 0.972 0.722 CB 1.213 37 residues pruned to eliminate duplicates Z: 28 21.212 1.868 0.638 0.718 0.963 0.667 CB 1.138 28 residues pruned to eliminate duplicates Z: 35 21.383 1.871 0.558 0.667 0.941 0.735 CB 1.146 35 residues pruned to eliminate duplicates Z: 30 19.215 1.858 0.662 0.651 0.966 0.724 CB 1.040 30 residues pruned to eliminate duplicates Z: 31 16.507 1.828 0.610 0.625 0.867 0.700 CB 1.050 31 residues pruned to eliminate duplicates Z: 31 18.484 1.855 0.569 0.660 0.900 0.600 CB 1.111 31 residues pruned to eliminate duplicates Z: 32 16.827 1.837 0.615 0.649 0.935 0.645 CB 0.948 32 residues pruned to eliminate duplicates Z: 31 18.707 1.866 0.608 0.629 0.900 0.733 CB 1.120 31 residues pruned to eliminate duplicates Z: 36 21.074 1.881 0.607 0.661 0.943 0.714 CB 1.076 36 residues pruned to eliminate duplicates Z: 38 21.729 1.877 0.618 0.652 0.946 0.703 CB 1.079 38 residues pruned to eliminate duplicates Z: 37 21.246 1.881 0.457 0.676 0.972 0.694 CB 1.130 37 residues pruned to eliminate duplicates Z: 31 17.373 1.851 0.452 0.679 0.933 0.700 CB 1.072 31 residues pruned to eliminate duplicates Z: 31 17.852 1.846 0.606 0.637 0.900 0.567 CB 1.075 31 residues pruned to eliminate duplicates Z: 36 20.342 1.851 0.638 0.636 0.914 0.629 CB 1.092 36 residues pruned to eliminate duplicates Z: 39 21.979 1.857 0.568 0.669 0.921 0.658 CB 1.137 39 residues pruned to eliminate duplicates 629 residues left after pruning, divided into chains as follows: A: 10 B: 6 C: 6 D: 7 E: 8 F: 22 G: 40 H: 16 I: 15 J: 15 K: 13 L: 34 M: 7 N: 32 O: 116 P: 23 Q: 27 R: 61 S: 13 T: 9 U: 50 V: 27 W: 61 X: 11 CC for partial structure against native data = 33.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.501, Connect. = 0.714 for dens.mod. cycle 1 = 0.300, Contrast = 0.573, Connect. = 0.737 for dens.mod. cycle 2 = 0.301, Contrast = 0.668, Connect. = 0.766 for dens.mod. cycle 3 = 0.301, Contrast = 0.676, Connect. = 0.769 for dens.mod. cycle 4 = 0.301, Contrast = 0.685, Connect. = 0.771 for dens.mod. cycle 5 = 0.301, Contrast = 0.688, Connect. = 0.773 for dens.mod. cycle 6 = 0.301, Contrast = 0.692, Connect. = 0.775 for dens.mod. cycle 7 = 0.301, Contrast = 0.693, Connect. = 0.776 for dens.mod. cycle 8 = 0.301, Contrast = 0.695, Connect. = 0.777 for dens.mod. cycle 9 TimeTaking 163.63