null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:56:46 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: ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.ins Phases from ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.phi Native data from ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.hkl Listing output to ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.lst Phases output to ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.phs Poly-Ala trace output to ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.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 38308 Reflections read from file ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.phi 38308 Reflections read from file ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.hkl 38308 Unique data, highest resolution = 2.400 Angstroms Anisotropic scaling: intensities multiplied by -0.000143h^2 +0.000331k^2 -0.000145l^2 +0.000000kl +0.000000hl +0.000000hk 601 Reflections with d > 2.600 and 0 in range 2.600 > d > 2.400 added Density sharpening factor set to 0.15 Fourier grid = 128 x 256 x 42 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|> = 0.719 = 0.300, Contrast = 0.347, Connect. = 0.678 for dens.mod. cycle 1 = 0.300, Contrast = 0.409, Connect. = 0.697 for dens.mod. cycle 2 = 0.300, Contrast = 0.486, Connect. = 0.722 for dens.mod. cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.730 for dens.mod. cycle 4 = 0.300, Contrast = 0.521, Connect. = 0.735 for dens.mod. cycle 5 = 0.300, Contrast = 0.530, Connect. = 0.739 for dens.mod. cycle 6 = 0.300, Contrast = 0.537, Connect. = 0.742 for dens.mod. cycle 7 = 0.300, Contrast = 0.541, Connect. = 0.744 for dens.mod. cycle 8 = 0.300, Contrast = 0.544, Connect. = 0.746 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3499 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 841 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 19.157 1.895 0.709 0.922 1.000 0.909 CB 1.254 B: 12 12.146 1.702 0.900 0.685 0.818 0.727 CB 1.167 C: 22 14.592 1.784 0.558 0.581 0.905 0.762 CB 1.171 D: 14 22.362 1.780 1.294 0.915 1.000 0.846 CB 1.073 E: 11 10.178 1.720 0.655 0.708 0.700 0.500 CB 1.337 F: 27 17.866 1.716 0.718 0.659 0.885 0.808 CB 1.159 G: 13 21.166 1.813 1.014 0.756 1.000 0.667 CA 1.332 H: 13 19.686 1.812 0.621 0.851 1.000 0.750 CA 1.431 I: 23 22.979 1.607 0.973 0.828 0.955 0.727 CB 1.219 26 residues pruned to eliminate duplicates J: 23 25.251 1.778 1.008 0.747 0.909 0.773 CA 1.329 K: 14 17.672 1.769 0.882 0.884 1.000 0.846 CB 1.064 14 residues pruned to eliminate duplicates L: 58 30.335 1.777 0.603 0.642 0.982 0.737 CB 1.258 M: 21 17.836 1.683 0.526 0.852 0.950 0.800 CA 1.209 13 residues pruned to eliminate duplicates N: 14 20.969 1.760 0.893 0.796 1.000 0.692 CA 1.348 13 residues pruned to eliminate duplicates O: 13 15.763 1.752 0.638 0.911 1.000 1.000 CB 1.123 13 residues pruned to eliminate duplicates P: 11 9.229 1.656 0.610 0.631 0.800 0.700 CA 1.210 Q: 11 14.871 1.711 0.911 0.771 0.900 0.800 CB 1.257 11 residues pruned to eliminate duplicates R: 58 40.917 1.833 0.922 0.642 1.000 0.772 CB 1.347 S: 12 14.478 1.740 0.627 0.706 1.000 0.727 CA 1.278 T: 13 16.699 1.820 0.861 0.871 1.000 0.750 CB 1.038 13 residues pruned to eliminate duplicates U: 7 8.020 1.699 0.432 0.631 1.000 0.667 CA 1.190 V: 13 18.026 1.813 0.648 0.855 0.917 0.833 CA 1.402 13 residues pruned to eliminate duplicates W: 15 19.929 1.806 1.082 0.925 1.000 0.786 CB 0.994 15 residues pruned to eliminate duplicates X: 10 9.308 1.531 0.724 0.610 0.889 0.556 N 1.192 Y: 12 13.876 1.793 0.314 0.868 1.000 0.909 CA 1.298 Z: 27 20.329 1.733 0.749 0.724 0.923 0.769 CB 1.164 27 residues pruned to eliminate duplicates Z: 16 15.899 1.733 0.487 0.889 1.000 0.800 CB 1.147 16 residues pruned to eliminate duplicates Z: 43 25.172 1.821 0.762 0.561 0.929 0.643 CB 1.229 37 residues pruned to eliminate duplicates Z: 16 13.653 1.802 0.677 0.576 0.867 0.733 CB 1.251 15 residues pruned to eliminate duplicates Z: 10 9.527 1.588 0.801 0.649 0.778 0.667 CB 1.243 Z: 14 16.987 1.704 0.770 0.835 1.000 0.846 CB 1.170 14 residues pruned to eliminate duplicates Z: 27 15.722 1.662 0.542 0.635 0.885 0.769 CB 1.198 Z: 38 29.568 1.780 0.765 0.666 0.973 0.649 CB 1.364 40 residues pruned to eliminate duplicates Z: 24 17.514 1.758 0.759 0.591 0.913 0.652 CA 1.186 Z: 12 19.124 1.827 0.873 0.858 1.000 0.909 CB 1.240 14 residues pruned to eliminate duplicates Z: 15 16.156 1.721 0.892 0.870 1.000 0.929 CB 0.968 15 residues pruned to eliminate duplicates Z: 11 12.959 1.748 0.883 0.696 0.900 0.800 CB 1.157 11 residues pruned to eliminate duplicates Z: 11 16.349 1.742 0.816 0.794 1.000 0.900 CA 1.263 11 residues pruned to eliminate duplicates Z: 39 22.749 1.712 0.665 0.668 0.895 0.737 CB 1.238 Z: 14 20.614 1.721 0.770 0.891 1.000 0.846 CA 1.349 13 residues pruned to eliminate duplicates Z: 14 11.719 1.700 0.808 0.543 0.923 0.769 CA 1.098 13 residues pruned to eliminate duplicates Z: 11 15.172 1.662 1.000 0.794 1.000 0.700 CB 1.116 11 residues pruned to eliminate duplicates Z: 12 15.714 1.701 0.763 0.891 0.909 0.909 CA 1.249 13 residues pruned to eliminate duplicates Z: 63 28.612 1.753 0.695 0.617 0.952 0.742 CB 1.151 14 residues pruned to eliminate duplicates Z: 42 22.709 1.708 0.658 0.652 1.000 0.634 CB 1.087 Z: 11 4.875 1.781 0.429 0.150 0.800 0.400 CB 1.165 Z: 41 27.294 1.724 0.833 0.625 0.925 0.700 CB 1.312 39 residues pruned to eliminate duplicates Z: 11 16.919 1.800 0.810 0.868 1.000 1.000 CA 1.200 10 residues pruned to eliminate duplicates Z: 14 12.212 1.611 0.386 0.864 1.000 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 13 17.575 1.694 1.019 0.809 1.000 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 14 13.369 1.658 0.771 0.603 0.923 0.692 N 1.240 14 residues pruned to eliminate duplicates Z: 61 25.591 1.694 0.528 0.572 0.983 0.667 CB 1.212 39 residues pruned to eliminate duplicates Z: 14 14.125 1.709 0.788 0.842 1.000 0.846 CB 0.955 14 residues pruned to eliminate duplicates Z: 18 14.519 1.786 0.566 0.608 1.000 0.824 CB 1.136 17 residues pruned to eliminate duplicates Z: 10 10.885 1.703 0.688 0.836 0.889 0.556 CB 1.063 10 residues pruned to eliminate duplicates Z: 11 24.271 1.919 1.123 0.842 1.000 0.900 CB 1.404 13 residues pruned to eliminate duplicates Z: 14 17.975 1.803 1.282 0.715 0.846 0.769 CB 1.178 13 residues pruned to eliminate duplicates Z: 25 20.532 1.748 0.668 0.673 0.958 0.833 CB 1.279 26 residues pruned to eliminate duplicates Z: 15 18.099 1.784 0.795 0.901 1.000 0.929 CB 1.078 15 residues pruned to eliminate duplicates Z: 15 14.026 1.621 0.476 0.904 1.000 0.857 CB 1.116 Z: 58 28.795 1.752 0.860 0.557 0.895 0.667 CB 1.238 57 residues pruned to eliminate duplicates Z: 20 20.187 1.826 0.898 0.689 0.947 0.842 CB 1.186 20 residues pruned to eliminate duplicates Z: 14 22.846 1.753 0.931 0.850 1.000 0.846 CA 1.387 14 residues pruned to eliminate duplicates Z: 6 7.861 1.731 0.393 0.644 1.000 0.600 CB 1.275 Z: 23 15.361 1.732 0.533 0.616 0.955 0.636 CB 1.157 21 residues pruned to eliminate duplicates Z: 14 14.775 1.815 0.483 0.900 1.000 0.769 CB 1.087 14 residues pruned to eliminate duplicates Z: 16 11.532 1.576 0.488 0.770 0.933 0.600 CB 1.071 16 residues pruned to eliminate duplicates Z: 7 8.044 1.745 0.932 0.563 0.833 0.833 CB 1.100 Z: 15 11.981 1.667 0.383 0.806 1.000 0.786 CB 1.063 15 residues pruned to eliminate duplicates Z: 10 12.140 1.668 0.719 0.713 0.889 0.778 CA 1.309 12 residues pruned to eliminate duplicates Z: 57 32.333 1.790 0.704 0.597 0.964 0.714 CB 1.339 57 residues pruned to eliminate duplicates Z: 15 14.523 1.659 0.559 0.899 1.000 0.786 CA 1.072 14 residues pruned to eliminate duplicates Z: 10 15.056 1.780 0.636 0.753 1.000 0.889 CB 1.375 11 residues pruned to eliminate duplicates Z: 13 18.412 1.724 0.768 0.801 1.000 0.833 CB 1.341 13 residues pruned to eliminate duplicates Z: 14 22.063 1.729 1.016 0.857 1.000 0.769 CB 1.294 14 residues pruned to eliminate duplicates Z: 7 7.299 1.578 0.517 0.659 1.000 0.833 N 1.074 Z: 35 20.852 1.710 0.655 0.519 0.941 0.647 CA 1.318 35 residues pruned to eliminate duplicates Z: 33 24.742 1.812 0.934 0.530 0.969 0.750 CB 1.251 33 residues pruned to eliminate duplicates Z: 14 12.023 1.651 0.282 0.826 1.000 0.846 CB 1.187 14 residues pruned to eliminate duplicates Z: 8 8.416 1.711 0.340 0.789 1.000 0.714 CA 1.076 8 residues pruned to eliminate duplicates Z: 6 5.651 1.774 0.976 0.282 0.800 0.600 CB 1.153 6 residues pruned to eliminate duplicates Z: 6 7.787 1.562 0.781 0.756 1.000 0.400 N 0.996 Z: 14 9.592 1.732 0.537 0.574 0.923 0.846 CB 1.008 14 residues pruned to eliminate duplicates Z: 10 17.532 1.823 0.904 0.871 1.000 1.000 CB 1.228 10 residues pruned to eliminate duplicates Z: 22 16.636 1.691 0.712 0.824 0.810 0.714 CB 1.170 12 residues pruned to eliminate duplicates Z: 15 15.537 1.600 0.899 0.889 1.000 0.929 CB 0.983 15 residues pruned to eliminate duplicates Z: 9 6.227 1.481 0.567 0.572 0.875 0.625 N 1.011 Z: 11 14.258 1.744 0.725 0.765 0.900 0.500 CA 1.317 11 residues pruned to eliminate duplicates Z: 8 9.503 1.754 0.198 0.858 1.000 0.714 CB 1.259 Z: 10 10.737 1.597 1.032 0.666 0.889 0.667 CA 1.064 Z: 36 20.697 1.713 0.723 0.531 0.943 0.600 CB 1.220 Z: 13 13.253 1.660 0.685 0.852 0.917 0.750 CB 1.103 13 residues pruned to eliminate duplicates Z: 12 22.008 1.807 1.291 0.834 1.000 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 17 15.492 1.647 0.659 0.766 0.875 0.625 CA 1.279 17 residues pruned to eliminate duplicates Z: 13 19.540 1.744 0.985 0.851 1.000 0.833 CB 1.206 13 residues pruned to eliminate duplicates Z: 12 12.047 1.666 0.721 0.824 0.818 0.818 CB 1.169 12 residues pruned to eliminate duplicates Z: 8 6.824 1.624 0.308 0.521 1.000 0.429 CB 1.189 Z: 13 11.737 1.618 0.670 0.608 1.000 0.750 CB 1.131 13 residues pruned to eliminate duplicates Z: 32 16.813 1.695 0.443 0.534 1.000 0.516 CB 1.194 32 residues pruned to eliminate duplicates Z: 15 16.359 1.779 0.388 0.908 1.000 0.857 CB 1.257 15 residues pruned to eliminate duplicates Z: 14 8.443 1.482 0.698 0.639 0.769 0.692 CB 1.061 14 residues pruned to eliminate duplicates Z: 13 16.017 1.694 0.708 0.818 1.000 0.667 CB 1.212 13 residues pruned to eliminate duplicates Z: 9 8.323 1.722 0.302 0.898 1.000 0.875 CB 0.938 9 residues pruned to eliminate duplicates Z: 16 16.964 1.707 0.650 0.791 0.933 0.800 CA 1.291 16 residues pruned to eliminate duplicates Z: 11 18.698 1.817 1.050 0.811 1.000 0.800 CB 1.211 12 residues pruned to eliminate duplicates Z: 58 36.883 1.821 0.869 0.604 0.965 0.684 CB 1.347 58 residues pruned to eliminate duplicates Z: 14 21.724 1.766 0.941 0.821 0.923 0.846 CB 1.441 14 residues pruned to eliminate duplicates Z: 13 17.019 1.784 0.893 0.845 0.917 0.750 CB 1.180 13 residues pruned to eliminate duplicates Z: 14 17.181 1.653 1.039 0.879 0.923 0.846 CA 1.111 14 residues pruned to eliminate duplicates Z: 9 13.167 1.646 0.820 0.841 0.875 0.875 CA 1.325 9 residues pruned to eliminate duplicates Z: 8 11.312 1.687 0.897 0.755 0.857 0.714 CA 1.242 Z: 27 13.734 1.700 0.534 0.501 0.923 0.654 CA 1.118 27 residues pruned to eliminate duplicates Z: 11 11.960 1.652 0.891 0.639 0.900 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 34 20.203 1.776 0.687 0.542 0.879 0.606 CB 1.282 18 residues pruned to eliminate duplicates Z: 45 31.421 1.749 0.848 0.673 0.977 0.750 CB 1.279 44 residues pruned to eliminate duplicates Z: 17 10.205 1.637 0.477 0.758 0.812 0.562 CB 1.032 17 residues pruned to eliminate duplicates Z: 11 5.149 1.380 0.278 0.814 0.800 0.600 CB 0.879 Z: 10 10.028 1.577 0.624 0.706 0.889 0.889 CA 1.218 10 residues pruned to eliminate duplicates Z: 17 13.291 1.695 0.785 0.599 0.812 0.688 CB 1.230 Z: 8 3.429 1.438 0.295 0.484 1.000 0.429 CB 0.707 Z: 11 4.832 1.364 0.241 0.690 0.700 0.400 CB 1.084 Z: 6 3.204 1.818 -0.286 0.320 1.000 0.600 CA 1.346 Z: 17 10.643 1.515 0.731 0.519 0.812 0.688 CA 1.226 17 residues pruned to eliminate duplicates Z: 15 16.715 1.742 0.489 0.876 1.000 0.714 CB 1.252 15 residues pruned to eliminate duplicates Z: 28 20.817 1.743 0.760 0.527 0.926 0.630 CB 1.374 29 residues pruned to eliminate duplicates Z: 12 12.996 1.755 0.583 0.858 0.909 0.818 CB 1.143 12 residues pruned to eliminate duplicates Z: 18 12.402 1.747 0.507 0.541 0.941 0.706 CB 1.166 Z: 15 18.116 1.797 0.776 0.914 1.000 0.929 CB 1.073 15 residues pruned to eliminate duplicates Z: 10 17.416 1.744 0.766 0.879 1.000 0.667 N 1.367 10 residues pruned to eliminate duplicates Z: 14 14.065 1.684 0.756 0.858 0.923 0.769 CB 1.052 14 residues pruned to eliminate duplicates Z: 15 12.563 1.610 0.556 0.810 1.000 0.786 CB 1.023 15 residues pruned to eliminate duplicates Z: 11 14.555 1.754 0.806 0.679 1.000 0.900 CB 1.232 Z: 12 22.064 1.776 1.163 0.821 0.909 0.727 CB 1.442 12 residues pruned to eliminate duplicates Z: 14 20.030 1.681 1.077 0.862 1.000 0.769 CA 1.168 14 residues pruned to eliminate duplicates Z: 58 36.300 1.816 0.844 0.619 1.000 0.702 CB 1.283 58 residues pruned to eliminate duplicates Z: 12 18.880 1.862 0.722 0.906 1.000 0.909 CB 1.262 12 residues pruned to eliminate duplicates Z: 6 2.642 1.551 0.020 0.423 1.000 0.600 CB 0.810 Z: 65 32.235 1.745 0.830 0.585 0.938 0.656 CB 1.240 70 residues pruned to eliminate duplicates Z: 16 11.414 1.633 0.511 0.824 0.867 0.533 CB 1.041 16 residues pruned to eliminate duplicates Z: 16 16.651 1.678 1.015 0.725 0.800 0.400 CB 1.297 16 residues pruned to eliminate duplicates Z: 16 11.510 1.762 0.441 0.512 0.933 0.800 CB 1.240 16 residues pruned to eliminate duplicates Z: 31 20.200 1.631 0.767 0.535 0.933 0.533 CB 1.324 31 residues pruned to eliminate duplicates Z: 11 11.120 1.690 0.608 0.828 0.900 0.700 CB 1.083 11 residues pruned to eliminate duplicates Z: 11 13.508 1.722 0.246 0.905 1.000 0.900 CB 1.417 11 residues pruned to eliminate duplicates Z: 14 14.519 1.858 0.591 0.597 1.000 0.846 CB 1.242 14 residues pruned to eliminate duplicates Z: 13 15.075 1.611 0.876 0.857 0.917 0.750 CB 1.158 14 residues pruned to eliminate duplicates Z: 14 10.820 1.747 0.425 0.847 1.000 0.846 CB 0.895 11 residues pruned to eliminate duplicates Z: 7 6.356 1.585 0.337 0.676 0.833 0.667 N 1.250 Z: 12 16.335 1.725 0.618 0.926 1.000 0.909 CB 1.237 12 residues pruned to eliminate duplicates Z: 15 13.240 1.586 0.991 0.562 0.929 0.786 N 1.136 15 residues pruned to eliminate duplicates Z: 12 19.378 1.829 0.966 0.810 0.909 0.818 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 11.114 1.686 0.535 0.903 0.923 0.923 CB 0.919 14 residues pruned to eliminate duplicates Z: 37 20.628 1.653 0.574 0.551 1.000 0.667 CA 1.257 35 residues pruned to eliminate duplicates Z: 14 15.108 1.866 0.597 0.580 0.923 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 7 5.008 1.668 0.654 0.540 0.667 0.667 CB 1.068 Z: 10 6.147 1.457 0.062 0.811 0.889 0.667 CB 1.135 11 residues pruned to eliminate duplicates Z: 14 22.227 1.789 1.017 0.839 1.000 0.923 CA 1.276 14 residues pruned to eliminate duplicates Z: 10 6.237 1.750 0.496 0.768 0.778 0.444 CB 0.805 10 residues pruned to eliminate duplicates Z: 6 3.691 1.637 0.310 0.655 1.000 0.800 CB 0.667 Z: 15 13.267 1.771 0.379 0.892 0.929 0.714 CB 1.123 15 residues pruned to eliminate duplicates Z: 11 10.915 1.704 0.265 0.872 1.000 0.900 CB 1.167 11 residues pruned to eliminate duplicates Z: 27 21.028 1.741 0.744 0.546 0.962 0.615 CB 1.351 27 residues pruned to eliminate duplicates Z: 9 6.836 1.679 0.365 0.521 0.875 0.500 CB 1.181 Z: 13 14.406 1.748 0.620 0.795 0.917 0.667 CB 1.237 13 residues pruned to eliminate duplicates Z: 39 19.776 1.616 0.751 0.675 0.868 0.526 CB 1.111 36 residues pruned to eliminate duplicates Z: 13 7.890 1.429 0.608 0.602 0.917 0.500 CB 0.982 Z: 13 12.851 1.699 0.720 0.856 1.000 0.917 CB 0.936 13 residues pruned to eliminate duplicates Z: 8 6.091 1.360 0.211 0.873 0.857 0.857 N 1.188 8 residues pruned to eliminate duplicates Z: 6 4.325 1.530 0.270 0.484 1.000 0.800 CB 1.012 Z: 14 12.241 1.670 0.697 0.606 1.000 0.846 CB 1.083 13 residues pruned to eliminate duplicates Z: 26 19.562 1.633 0.615 0.837 0.960 0.720 CB 1.156 26 residues pruned to eliminate duplicates Z: 6 6.579 1.600 0.694 0.691 0.800 0.800 CB 1.140 6 residues pruned to eliminate duplicates Z: 15 12.541 1.714 0.484 0.825 0.857 0.643 CB 1.160 Z: 15 13.842 1.584 0.802 0.836 0.857 0.643 CB 1.132 15 residues pruned to eliminate duplicates Z: 16 21.675 1.698 0.929 0.810 1.000 0.667 CA 1.304 16 residues pruned to eliminate duplicates Z: 33 12.212 1.498 0.700 0.431 0.875 0.531 CB 1.041 33 residues pruned to eliminate duplicates Z: 13 12.655 1.730 0.730 0.769 0.917 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 21 13.701 1.733 0.439 0.581 0.900 0.650 CB 1.263 21 residues pruned to eliminate duplicates Z: 35 21.265 1.679 0.648 0.735 1.000 0.676 CB 1.067 35 residues pruned to eliminate duplicates Z: 16 11.732 1.711 0.196 0.758 1.000 0.667 CA 1.176 16 residues pruned to eliminate duplicates Z: 15 17.499 1.781 0.543 0.899 1.000 0.857 CB 1.217 15 residues pruned to eliminate duplicates Z: 15 10.944 1.680 0.656 0.416 0.929 0.714 CA 1.236 15 residues pruned to eliminate duplicates Z: 18 14.470 1.619 1.056 0.660 0.765 0.647 CA 1.188 13 residues pruned to eliminate duplicates Z: 55 22.729 1.685 0.697 0.603 0.926 0.685 CB 1.059 54 residues pruned to eliminate duplicates Z: 10 9.958 1.657 0.943 0.609 0.778 0.778 CB 1.195 10 residues pruned to eliminate duplicates Z: 31 20.946 1.710 0.852 0.639 0.900 0.700 CB 1.178 33 residues pruned to eliminate duplicates Z: 13 8.302 1.677 0.471 0.616 0.750 0.417 CB 1.160 6 residues pruned to eliminate duplicates Z: 16 6.785 1.576 0.241 0.474 0.867 0.733 CB 1.062 13 residues pruned to eliminate duplicates Z: 33 18.633 1.744 0.571 0.504 0.969 0.750 CB 1.236 24 residues pruned to eliminate duplicates Z: 13 5.571 1.505 0.414 0.425 0.750 0.583 CB 1.089 13 residues pruned to eliminate duplicates Z: 22 16.700 1.721 0.903 0.523 0.905 0.619 CA 1.202 22 residues pruned to eliminate duplicates Z: 16 16.243 1.743 0.514 0.896 1.000 0.867 CB 1.138 16 residues pruned to eliminate duplicates Z: 45 25.034 1.763 0.637 0.623 0.977 0.727 CB 1.192 98 residues pruned to eliminate duplicates Z: 10 9.850 1.657 0.461 0.820 1.000 0.556 CB 1.027 Z: 14 15.671 1.764 0.368 0.898 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 35 15.688 1.681 0.485 0.457 0.853 0.529 CB 1.320 35 residues pruned to eliminate duplicates Z: 43 24.630 1.728 0.723 0.598 0.929 0.714 CB 1.252 43 residues pruned to eliminate duplicates Z: 15 12.184 1.766 0.212 0.910 1.000 0.929 CB 1.080 15 residues pruned to eliminate duplicates Z: 14 17.898 1.675 0.739 0.864 1.000 0.769 CA 1.249 14 residues pruned to eliminate duplicates Z: 13 15.511 1.713 1.017 0.787 1.000 0.750 CB 1.007 13 residues pruned to eliminate duplicates Z: 14 7.830 1.619 0.300 0.767 0.769 0.615 CB 1.059 14 residues pruned to eliminate duplicates Z: 16 19.803 1.693 0.949 0.865 1.000 0.600 CB 1.135 16 residues pruned to eliminate duplicates Z: 8 2.488 1.517 0.781 0.313 0.571 0.429 CB 0.749 Z: 12 16.120 1.763 1.032 0.775 0.818 0.818 CA 1.300 12 residues pruned to eliminate duplicates Z: 27 20.269 1.677 0.734 0.663 0.923 0.846 CB 1.273 27 residues pruned to eliminate duplicates Z: 11 16.859 1.750 1.091 0.731 0.900 0.900 N 1.315 12 residues pruned to eliminate duplicates Z: 23 17.618 1.663 0.748 0.752 0.909 0.636 CB 1.135 27 residues pruned to eliminate duplicates Z: 15 15.945 1.637 0.827 0.744 0.929 0.786 CA 1.234 15 residues pruned to eliminate duplicates Z: 6 4.909 1.514 0.306 0.522 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 15 9.496 1.533 0.359 0.811 0.929 0.857 CA 1.000 15 residues pruned to eliminate duplicates Z: 36 20.801 1.680 0.659 0.655 0.943 0.629 CB 1.159 Z: 10 11.964 1.657 1.295 0.691 0.778 0.667 N 1.132 Z: 14 14.922 1.720 0.509 0.920 1.000 1.000 CA 1.123 14 residues pruned to eliminate duplicates Z: 10 10.256 1.631 0.680 0.740 1.000 1.000 CB 1.007 11 residues pruned to eliminate duplicates Z: 12 15.216 1.805 0.468 0.839 1.000 0.909 CB 1.293 12 residues pruned to eliminate duplicates Z: 21 14.232 1.759 0.703 0.575 0.950 0.750 CB 1.040 10 residues pruned to eliminate duplicates Z: 63 34.964 1.840 0.866 0.575 0.919 0.694 CB 1.309 63 residues pruned to eliminate duplicates Z: 14 14.836 1.614 0.816 0.818 0.923 0.923 CA 1.155 14 residues pruned to eliminate duplicates Z: 36 26.623 1.793 0.748 0.653 0.943 0.800 CB 1.321 36 residues pruned to eliminate duplicates Z: 13 14.544 1.733 0.730 0.856 1.000 0.833 CB 1.033 13 residues pruned to eliminate duplicates Z: 15 15.794 1.637 0.733 0.900 1.000 0.857 CB 1.063 15 residues pruned to eliminate duplicates Z: 23 18.173 1.697 0.873 0.644 0.909 0.818 CB 1.172 23 residues pruned to eliminate duplicates Z: 17 14.650 1.706 0.723 0.515 0.875 0.812 CB 1.404 17 residues pruned to eliminate duplicates Z: 9 2.692 1.563 0.272 0.365 0.750 0.500 CB 0.738 Z: 14 19.345 1.716 1.188 0.940 1.000 0.846 CB 0.993 14 residues pruned to eliminate duplicates Z: 14 18.698 1.706 0.937 0.896 1.000 0.692 CB 1.124 14 residues pruned to eliminate duplicates Z: 15 16.621 1.558 0.855 0.808 1.000 0.714 CB 1.175 15 residues pruned to eliminate duplicates Z: 15 13.715 1.692 0.351 0.845 1.000 0.643 CB 1.192 15 residues pruned to eliminate duplicates Z: 11 3.626 1.411 0.277 0.372 0.800 0.400 CB 0.912 Z: 15 15.982 1.646 1.008 0.896 0.929 0.857 CB 0.997 15 residues pruned to eliminate duplicates Z: 8 3.519 1.474 0.735 0.501 0.714 0.571 CB 0.727 Z: 26 15.363 1.670 0.817 0.544 0.840 0.360 CB 1.155 26 residues pruned to eliminate duplicates Z: 22 13.580 1.652 0.378 0.775 0.905 0.571 CB 1.129 46 residues pruned to eliminate duplicates Z: 14 7.213 1.538 0.588 0.416 1.000 0.615 CB 0.894 11 residues pruned to eliminate duplicates Z: 15 12.175 1.596 0.641 0.819 0.929 0.643 CB 1.014 Z: 14 14.855 1.687 0.900 0.685 0.846 0.692 CB 1.282 14 residues pruned to eliminate duplicates Z: 13 14.148 1.637 0.688 0.699 0.917 0.750 CB 1.346 13 residues pruned to eliminate duplicates Z: 20 18.250 1.748 0.878 0.461 1.000 0.526 CA 1.327 20 residues pruned to eliminate duplicates Z: 8 6.340 1.371 0.842 0.571 0.857 0.571 CA 1.034 Z: 18 7.121 1.603 0.159 0.526 0.882 0.765 CB 1.027 18 residues pruned to eliminate duplicates Z: 12 9.583 1.780 0.640 0.602 0.818 0.727 CB 1.098 12 residues pruned to eliminate duplicates Z: 7 6.465 1.690 0.259 0.756 0.833 0.667 CB 1.185 7 residues pruned to eliminate duplicates Z: 6 3.957 1.438 0.745 0.686 0.600 0.600 CB 0.991 6 residues pruned to eliminate duplicates Z: 16 14.388 1.711 0.290 0.833 1.000 0.933 CB 1.263 16 residues pruned to eliminate duplicates Z: 11 11.935 1.584 0.960 0.641 0.800 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 23 17.712 1.797 0.683 0.493 0.909 0.727 CB 1.384 26 residues pruned to eliminate duplicates Z: 6 2.580 1.545 0.532 0.258 0.800 0.400 CB 0.803 Z: 40 21.809 1.695 0.613 0.685 0.974 0.692 CB 1.106 40 residues pruned to eliminate duplicates Z: 10 10.178 1.533 0.370 0.862 1.000 0.889 N 1.186 10 residues pruned to eliminate duplicates Z: 13 9.495 1.424 0.813 0.831 1.000 0.500 CB 0.798 12 residues pruned to eliminate duplicates Z: 39 18.887 1.659 0.667 0.529 0.974 0.579 CB 1.107 39 residues pruned to eliminate duplicates Z: 26 26.117 1.743 0.967 0.774 0.960 0.840 CB 1.246 26 residues pruned to eliminate duplicates Z: 13 18.649 1.743 1.361 0.928 1.000 0.833 CB 0.916 13 residues pruned to eliminate duplicates Z: 14 11.051 1.706 0.254 0.910 1.000 0.846 CB 1.016 14 residues pruned to eliminate duplicates Z: 34 15.782 1.647 0.453 0.473 0.909 0.545 CB 1.298 34 residues pruned to eliminate duplicates Z: 15 10.924 1.610 0.313 0.881 1.000 0.857 CB 1.001 15 residues pruned to eliminate duplicates Z: 36 18.741 1.670 0.623 0.669 0.971 0.686 CB 1.029 32 residues pruned to eliminate duplicates Z: 15 11.512 1.615 0.517 0.654 0.857 0.357 CB 1.269 15 residues pruned to eliminate duplicates Z: 11 11.630 1.704 0.740 0.509 1.000 0.700 N 1.229 11 residues pruned to eliminate duplicates Z: 15 10.643 1.531 0.686 0.467 1.000 0.357 CB 1.140 Z: 14 18.294 1.765 0.834 0.872 1.000 0.846 CB 1.142 14 residues pruned to eliminate duplicates Z: 10 5.335 1.428 0.507 0.783 0.667 0.444 CB 0.966 10 residues pruned to eliminate duplicates Z: 13 15.992 1.687 0.945 0.835 1.000 0.833 CB 1.054 12 residues pruned to eliminate duplicates Z: 8 6.970 1.515 0.720 0.824 1.000 0.857 CB 0.764 8 residues pruned to eliminate duplicates Z: 16 13.521 1.708 0.223 0.883 1.000 0.800 CB 1.208 16 residues pruned to eliminate duplicates Z: 70 30.255 1.764 0.648 0.547 0.913 0.667 CB 1.310 70 residues pruned to eliminate duplicates Z: 14 14.988 1.689 0.814 0.824 1.000 0.692 CB 1.025 14 residues pruned to eliminate duplicates Z: 6 2.958 1.445 0.284 0.613 0.800 0.600 N 0.801 Z: 14 9.070 1.661 0.834 0.360 0.846 0.308 CB 1.135 14 residues pruned to eliminate duplicates Z: 14 14.604 1.761 0.789 0.874 1.000 0.769 CB 0.936 14 residues pruned to eliminate duplicates Z: 9 11.414 1.607 0.535 0.834 1.000 0.750 CA 1.227 9 residues pruned to eliminate duplicates Z: 12 15.539 1.816 0.493 0.870 0.909 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 27 14.364 1.723 0.707 0.452 0.846 0.615 CA 1.189 29 residues pruned to eliminate duplicates Z: 23 15.330 1.749 0.427 0.508 1.000 0.636 CB 1.299 7 residues pruned to eliminate duplicates Z: 41 22.963 1.719 0.656 0.659 1.000 0.700 CB 1.101 41 residues pruned to eliminate duplicates Z: 17 14.706 1.524 0.698 0.822 0.875 0.500 N 1.228 17 residues pruned to eliminate duplicates Z: 22 16.780 1.705 0.679 0.851 0.952 0.619 CB 0.994 23 residues pruned to eliminate duplicates Z: 9 6.358 1.576 1.114 0.252 0.875 0.750 CB 1.025 10 residues pruned to eliminate duplicates Z: 33 17.646 1.743 0.906 0.500 0.875 0.656 CA 1.073 31 residues pruned to eliminate duplicates Z: 35 17.369 1.651 0.502 0.577 0.971 0.647 CB 1.149 32 residues pruned to eliminate duplicates Z: 8 6.364 1.788 1.027 0.258 0.857 0.429 CB 1.022 7 residues pruned to eliminate duplicates Z: 8 7.353 1.582 0.599 0.882 1.000 1.000 CB 0.795 8 residues pruned to eliminate duplicates Z: 10 9.994 1.626 0.890 0.573 0.889 0.667 CA 1.136 10 residues pruned to eliminate duplicates Z: 6 2.504 1.439 0.492 0.693 0.800 0.400 CB 0.547 Z: 6 2.209 1.385 0.176 0.338 0.800 0.600 O 0.905 Z: 25 17.833 1.804 0.509 0.590 0.958 0.792 CB 1.280 25 residues pruned to eliminate duplicates Z: 12 9.848 1.567 0.775 0.618 0.909 0.455 CA 1.051 12 residues pruned to eliminate duplicates Z: 8 10.266 1.714 0.252 0.843 1.000 0.714 CB 1.346 8 residues pruned to eliminate duplicates Z: 18 14.989 1.634 0.704 0.815 1.000 0.529 CB 0.993 18 residues pruned to eliminate duplicates Z: 15 14.634 1.739 0.332 0.814 1.000 0.643 CB 1.285 15 residues pruned to eliminate duplicates Z: 13 11.530 1.712 0.371 0.871 1.000 0.833 CB 1.034 13 residues pruned to eliminate duplicates Z: 6 3.385 1.569 0.285 0.567 0.800 0.600 N 0.879 Z: 11 7.448 1.628 0.308 0.790 0.800 0.500 CA 1.072 11 residues pruned to eliminate duplicates Z: 43 29.388 1.817 0.815 0.625 0.952 0.762 CB 1.284 42 residues pruned to eliminate duplicates Z: 14 18.136 1.707 1.236 0.732 0.846 0.769 CA 1.264 14 residues pruned to eliminate duplicates Z: 7 2.277 1.652 0.371 0.895 1.000 1.000 CB 0.294 Z: 14 11.836 1.561 0.630 0.839 1.000 0.769 CB 0.963 14 residues pruned to eliminate duplicates Z: 54 22.344 1.725 0.607 0.574 0.906 0.660 CB 1.138 54 residues pruned to eliminate duplicates Z: 8 3.177 1.468 0.729 0.350 0.714 0.429 N 0.779 Z: 8 6.287 1.596 0.672 0.396 0.857 0.429 CB 1.160 8 residues pruned to eliminate duplicates Z: 15 15.559 1.596 0.858 0.850 1.000 0.786 CB 1.039 15 residues pruned to eliminate duplicates Z: 10 4.283 1.469 0.353 0.628 0.778 0.667 CB 0.819 Z: 15 19.659 1.664 1.178 0.889 1.000 0.786 CB 1.044 15 residues pruned to eliminate duplicates Z: 9 9.405 1.736 0.605 0.807 0.875 0.875 CB 1.043 Z: 9 8.593 1.534 0.559 0.880 0.875 0.625 CB 1.052 9 residues pruned to eliminate duplicates Z: 15 9.497 1.599 0.277 0.533 0.929 0.714 CB 1.296 15 residues pruned to eliminate duplicates Z: 6 5.999 1.621 0.239 0.668 1.000 0.800 CB 1.144 Z: 8 4.708 1.550 0.059 0.759 0.857 0.857 CB 1.004 Z: 13 17.255 1.773 0.910 0.825 0.917 0.833 CB 1.211 13 residues pruned to eliminate duplicates Z: 52 23.145 1.762 0.563 0.569 0.922 0.745 CB 1.195 53 residues pruned to eliminate duplicates Z: 24 15.557 1.682 0.547 0.488 0.957 0.652 CA 1.318 24 residues pruned to eliminate duplicates Z: 17 13.301 1.540 0.481 0.832 1.000 0.750 CB 1.095 17 residues pruned to eliminate duplicates Z: 14 18.517 1.824 0.773 0.951 1.000 1.000 CB 1.094 14 residues pruned to eliminate duplicates Z: 12 13.600 1.702 0.369 0.892 1.000 1.000 CB 1.264 12 residues pruned to eliminate duplicates Z: 14 11.806 1.710 0.747 0.734 0.923 0.846 CA 0.963 14 residues pruned to eliminate duplicates Z: 16 16.146 1.732 0.883 0.694 0.933 0.733 CB 1.147 13 residues pruned to eliminate duplicates Z: 16 8.724 1.724 0.792 0.402 0.867 0.533 CB 0.932 Z: 7 2.482 1.398 0.388 0.248 0.667 0.500 CA 1.048 Z: 15 13.672 1.611 0.595 0.825 0.929 0.643 CB 1.156 18 residues pruned to eliminate duplicates Z: 18 13.306 1.733 0.595 0.702 0.882 0.529 CB 1.100 17 residues pruned to eliminate duplicates Z: 17 16.107 1.667 0.716 0.803 0.938 0.625 CB 1.152 17 residues pruned to eliminate duplicates Z: 21 12.819 1.602 0.471 0.766 0.900 0.550 CB 1.068 20 residues pruned to eliminate duplicates Z: 16 16.172 1.717 0.374 0.883 1.000 0.600 CB 1.280 16 residues pruned to eliminate duplicates Z: 15 11.064 1.588 0.517 0.827 1.000 0.857 CB 0.925 15 residues pruned to eliminate duplicates Z: 19 16.008 1.669 0.652 0.570 0.944 0.667 CA 1.354 19 residues pruned to eliminate duplicates Z: 11 11.955 1.653 0.625 0.825 0.900 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 59 32.665 1.776 0.864 0.627 0.931 0.776 CB 1.235 59 residues pruned to eliminate duplicates Z: 12 12.306 1.817 0.301 0.877 1.000 0.909 CA 1.139 12 residues pruned to eliminate duplicates Z: 15 13.536 1.672 0.482 0.817 0.929 0.714 CA 1.194 15 residues pruned to eliminate duplicates Z: 14 19.999 1.719 0.924 0.797 1.000 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 22 14.183 1.665 0.388 0.819 0.952 0.619 CB 1.066 22 residues pruned to eliminate duplicates Z: 15 12.237 1.535 0.856 0.801 0.929 0.714 CB 0.951 15 residues pruned to eliminate duplicates Z: 12 14.100 1.721 0.717 0.839 0.909 0.818 CB 1.182 12 residues pruned to eliminate duplicates Z: 20 9.401 1.698 0.484 0.458 0.842 0.632 CB 1.061 19 residues pruned to eliminate duplicates Z: 17 13.193 1.660 0.298 0.904 1.000 0.938 CB 1.091 17 residues pruned to eliminate duplicates Z: 14 15.518 1.758 0.397 0.841 1.000 0.846 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 4.793 1.530 0.236 0.402 0.917 0.750 CB 0.885 13 residues pruned to eliminate duplicates Z: 10 2.834 1.465 0.586 0.393 0.667 0.444 CB 0.683 10 residues pruned to eliminate duplicates Z: 16 11.298 1.662 0.772 0.470 0.867 0.733 CA 1.178 16 residues pruned to eliminate duplicates Z: 28 14.037 1.666 0.710 0.567 0.889 0.556 CB 1.000 28 residues pruned to eliminate duplicates Z: 13 17.340 1.777 0.935 0.841 0.917 0.667 CB 1.184 13 residues pruned to eliminate duplicates Z: 15 12.026 1.567 0.534 0.901 1.000 0.714 CB 0.955 15 residues pruned to eliminate duplicates Z: 17 12.668 1.741 0.510 0.824 0.875 0.688 CA 1.040 17 residues pruned to eliminate duplicates Z: 22 14.457 1.689 0.755 0.427 0.905 0.619 CA 1.269 22 residues pruned to eliminate duplicates Z: 13 17.830 1.871 0.642 0.861 1.000 0.917 CB 1.231 13 residues pruned to eliminate duplicates Z: 8 2.788 1.308 0.505 0.298 0.714 0.286 N 0.939 8 residues pruned to eliminate duplicates Z: 26 8.198 1.494 0.529 0.250 0.840 0.360 N 1.139 Z: 15 18.625 1.646 1.190 0.892 1.000 0.571 CB 0.992 15 residues pruned to eliminate duplicates Z: 15 6.182 1.613 0.489 0.566 0.786 0.643 CB 0.821 15 residues pruned to eliminate duplicates Z: 18 15.259 1.802 0.760 0.592 0.941 0.765 CB 1.135 18 residues pruned to eliminate duplicates Z: 41 21.167 1.690 0.606 0.586 0.950 0.675 CB 1.195 41 residues pruned to eliminate duplicates Z: 12 8.297 1.645 0.190 0.602 0.909 0.818 CB 1.276 Z: 8 2.996 1.543 0.508 0.257 0.714 0.429 CB 0.901 9 residues pruned to eliminate duplicates Z: 17 13.097 1.784 0.474 0.513 0.938 0.750 CA 1.311 17 residues pruned to eliminate duplicates Z: 6 4.013 1.510 0.905 0.431 0.800 0.400 CB 0.837 Z: 10 5.773 1.416 0.927 0.436 0.778 0.556 N 0.969 8 residues pruned to eliminate duplicates Z: 6 2.336 1.444 0.260 0.526 1.000 0.600 CB 0.560 Z: 15 15.379 1.652 0.777 0.783 0.857 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 24 14.920 1.806 0.950 0.410 0.826 0.652 CB 1.175 24 residues pruned to eliminate duplicates Z: 16 12.090 1.609 0.430 0.807 0.933 0.667 CA 1.112 16 residues pruned to eliminate duplicates Z: 34 16.818 1.587 0.707 0.709 0.970 0.758 CB 0.922 34 residues pruned to eliminate duplicates Z: 16 10.733 1.588 0.277 0.908 1.000 0.867 CB 0.970 16 residues pruned to eliminate duplicates Z: 6 3.939 1.525 0.165 0.436 1.000 0.400 N 1.060 Z: 10 4.537 1.503 0.710 0.376 0.778 0.444 CB 0.864 6 residues pruned to eliminate duplicates Z: 16 13.107 1.626 0.450 0.876 0.867 0.667 CA 1.203 16 residues pruned to eliminate duplicates Z: 16 12.441 1.534 0.451 0.853 1.000 0.667 CA 1.067 16 residues pruned to eliminate duplicates Z: 6 3.714 1.259 0.520 0.696 0.800 0.800 CA 0.907 6 residues pruned to eliminate duplicates Z: 12 15.584 1.713 0.749 0.782 1.000 0.818 CB 1.223 12 residues pruned to eliminate duplicates Z: 26 21.353 1.777 0.794 0.573 1.000 0.720 CA 1.248 26 residues pruned to eliminate duplicates Z: 7 7.485 1.679 0.239 0.673 1.000 1.000 CB 1.252 7 residues pruned to eliminate duplicates Z: 16 14.749 1.692 0.991 0.469 0.933 0.600 CA 1.250 16 residues pruned to eliminate duplicates Z: 23 8.251 1.625 0.462 0.308 0.864 0.636 CB 1.061 23 residues pruned to eliminate duplicates Z: 13 16.826 1.805 0.621 0.825 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 14 11.143 1.729 0.411 0.894 1.000 0.923 CB 0.909 14 residues pruned to eliminate duplicates Z: 8 11.049 1.696 0.727 0.729 1.000 0.857 CA 1.160 Z: 20 10.746 1.550 0.446 0.671 0.947 0.789 CB 0.991 20 residues pruned to eliminate duplicates Z: 11 8.370 1.631 0.364 0.484 1.000 0.600 CB 1.209 11 residues pruned to eliminate duplicates 6 1.373 1.476 0.058 0.299 0.600 0.600 N 0.821 ? Z: 9 7.449 1.550 0.725 0.522 0.875 0.625 CB 1.101 7 residues pruned to eliminate duplicates Z: 28 20.849 1.733 0.684 0.550 1.000 0.704 CA 1.310 30 residues pruned to eliminate duplicates Z: 15 13.525 1.655 0.635 0.851 0.857 0.714 CB 1.154 15 residues pruned to eliminate duplicates Z: 11 3.004 1.531 0.072 0.258 0.900 0.500 CB 0.848 Z: 13 9.361 1.747 0.654 0.448 0.833 0.583 CA 1.184 13 residues pruned to eliminate duplicates Z: 19 13.183 1.623 0.906 0.492 0.889 0.722 CA 1.139 19 residues pruned to eliminate duplicates Z: 7 6.133 1.534 1.030 0.556 0.833 0.500 CB 0.914 Z: 9 2.818 1.554 0.361 0.649 1.000 0.750 CB 0.410 Z: 14 14.769 1.605 0.808 0.794 0.923 0.769 CA 1.182 14 residues pruned to eliminate duplicates Z: 13 12.316 1.744 0.600 0.576 1.000 0.667 CA 1.184 10 residues pruned to eliminate duplicates Z: 9 10.138 1.590 0.610 0.803 1.000 0.625 CB 1.074 9 residues pruned to eliminate duplicates Z: 6 2.747 1.340 0.225 0.449 0.800 0.400 N 0.986 Z: 15 10.701 1.641 0.433 0.848 0.929 0.714 CB 0.972 15 residues pruned to eliminate duplicates Z: 11 3.344 1.451 0.121 0.388 0.800 0.400 N 0.916 9 residues pruned to eliminate duplicates Z: 7 6.565 1.729 -0.139 0.858 1.000 1.000 CB 1.325 Z: 8 3.810 1.680 0.370 0.369 0.714 0.286 CA 1.008 8 residues pruned to eliminate duplicates Z: 13 13.722 1.782 0.629 0.774 0.917 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 15 14.044 1.756 0.513 0.907 1.000 0.571 CB 1.004 15 residues pruned to eliminate duplicates Z: 13 22.890 1.832 1.002 0.868 1.000 0.833 CB 1.317 13 residues pruned to eliminate duplicates Z: 9 5.320 1.491 0.597 0.450 0.875 0.625 CB 0.949 Z: 14 12.778 1.625 1.022 0.907 0.846 0.615 CB 0.906 14 residues pruned to eliminate duplicates Z: 15 15.820 1.567 1.129 0.812 0.929 0.857 CA 1.041 15 residues pruned to eliminate duplicates Z: 13 14.682 1.702 0.673 0.889 1.000 0.917 CA 1.072 13 residues pruned to eliminate duplicates Z: 17 7.787 1.623 0.250 0.458 0.938 0.562 N 1.068 17 residues pruned to eliminate duplicates Z: 17 14.113 1.575 0.687 0.815 0.938 0.688 CB 1.077 17 residues pruned to eliminate duplicates Z: 14 14.790 1.695 0.658 0.928 1.000 0.923 CB 1.023 14 residues pruned to eliminate duplicates Z: 17 12.088 1.594 0.389 0.865 0.938 0.750 CB 1.066 17 residues pruned to eliminate duplicates Z: 16 14.661 1.708 0.704 0.780 0.800 0.733 CB 1.270 16 residues pruned to eliminate duplicates Z: 10 2.942 1.496 0.107 0.395 0.667 0.444 N 0.992 Z: 41 19.899 1.699 0.640 0.483 0.875 0.550 CB 1.312 41 residues pruned to eliminate duplicates Z: 8 5.941 1.431 0.665 0.453 0.857 0.714 N 1.154 Z: 13 18.823 1.654 0.816 0.866 1.000 0.917 CB 1.324 13 residues pruned to eliminate duplicates Z: 12 11.310 1.689 0.549 0.649 0.909 0.818 CA 1.248 12 residues pruned to eliminate duplicates Z: 20 5.154 1.322 0.647 0.375 0.684 0.368 CB 0.907 20 residues pruned to eliminate duplicates Z: 8 13.088 1.686 1.007 0.713 1.000 0.714 CB 1.205 Z: 24 20.567 1.667 0.819 0.773 0.957 0.609 CB 1.161 22 residues pruned to eliminate duplicates Z: 11 9.046 1.527 0.515 0.808 0.900 0.700 CB 1.050 10 residues pruned to eliminate duplicates Z: 22 12.409 1.576 0.381 0.785 0.952 0.810 CB 1.016 22 residues pruned to eliminate duplicates Z: 16 8.909 1.629 0.380 0.820 0.867 0.600 CB 0.895 16 residues pruned to eliminate duplicates Z: 15 17.110 1.640 0.979 0.907 1.000 0.786 CB 1.001 15 residues pruned to eliminate duplicates Z: 16 9.823 1.530 0.369 0.791 0.933 0.667 CB 1.005 16 residues pruned to eliminate duplicates Z: 10 10.450 1.600 0.722 0.772 0.778 0.556 CB 1.278 10 residues pruned to eliminate duplicates Z: 10 5.205 1.646 0.061 0.593 0.889 0.667 CB 1.023 10 residues pruned to eliminate duplicates Z: 18 15.732 1.580 0.777 0.826 1.000 0.588 CB 1.024 18 residues pruned to eliminate duplicates Z: 57 21.700 1.694 0.665 0.534 0.875 0.607 CB 1.136 57 residues pruned to eliminate duplicates Z: 12 8.097 1.415 0.598 0.837 1.000 0.818 CB 0.808 12 residues pruned to eliminate duplicates Z: 12 5.493 1.491 0.515 0.411 0.727 0.545 CA 1.106 12 residues pruned to eliminate duplicates Z: 10 4.166 1.452 0.514 0.904 1.000 0.889 CB 0.450 Z: 17 13.525 1.550 0.596 0.843 1.000 0.562 CB 1.018 17 residues pruned to eliminate duplicates Z: 13 14.500 1.660 0.879 0.899 1.000 0.750 CB 0.960 13 residues pruned to eliminate duplicates Z: 54 24.683 1.698 0.799 0.562 0.925 0.698 CB 1.130 54 residues pruned to eliminate duplicates 7 1.476 1.120 0.567 0.275 0.667 0.500 CA 0.665 ? Z: 10 3.552 1.422 0.437 0.390 0.667 0.444 CB 0.976 7 1.805 1.419 0.142 0.354 0.833 0.667 CB 0.639 ? Z: 17 8.780 1.501 0.383 0.784 0.875 0.688 CB 0.941 17 residues pruned to eliminate duplicates Z: 14 20.037 1.714 0.767 0.861 1.000 0.769 CA 1.348 14 residues pruned to eliminate duplicates Z: 30 10.130 1.575 0.520 0.454 0.828 0.655 CB 0.995 39 residues pruned to eliminate duplicates 6 1.530 1.422 -0.100 0.475 0.800 0.400 CB 0.685 ? Z: 13 14.374 1.681 0.865 0.905 0.917 0.667 CB 1.028 13 residues pruned to eliminate duplicates Z: 19 11.835 1.692 0.630 0.419 0.833 0.556 CA 1.321 18 residues pruned to eliminate duplicates Z: 14 11.312 1.617 0.625 0.856 0.923 0.769 CB 0.954 14 residues pruned to eliminate duplicates Z: 11 7.116 1.722 0.241 0.528 1.000 0.600 CB 1.024 11 residues pruned to eliminate duplicates Z: 13 18.384 1.902 0.644 0.864 1.000 0.833 CB 1.244 13 residues pruned to eliminate duplicates Z: 13 3.479 1.413 0.565 0.245 0.583 0.333 N 1.045 Z: 16 7.469 1.558 0.578 0.358 0.867 0.600 CB 1.055 13 residues pruned to eliminate duplicates Z: 13 6.696 1.603 0.516 0.436 1.000 0.583 CB 0.849 Z: 11 4.388 1.656 0.843 0.861 1.000 0.700 CB 0.334 10 residues pruned to eliminate duplicates Z: 12 11.258 1.587 0.546 0.844 1.000 0.636 CB 1.030 12 residues pruned to eliminate duplicates Z: 15 12.210 1.613 0.576 0.673 0.857 0.500 CB 1.276 15 residues pruned to eliminate duplicates Z: 7 13.475 1.631 0.862 0.894 1.000 0.833 CB 1.300 7 residues pruned to eliminate duplicates Z: 8 5.233 1.587 0.156 0.541 0.857 0.714 CB 1.209 Z: 17 12.618 1.830 0.547 0.498 0.875 0.688 CB 1.276 17 residues pruned to eliminate duplicates Z: 13 6.730 1.647 0.635 0.435 0.917 0.917 CB 0.842 13 residues pruned to eliminate duplicates Z: 9 9.826 1.549 0.428 0.872 1.000 0.750 CB 1.145 9 residues pruned to eliminate duplicates Z: 30 17.661 1.706 0.520 0.557 1.000 0.655 CA 1.196 30 residues pruned to eliminate duplicates Z: 6 2.285 1.277 -0.009 0.819 0.800 0.800 CA 0.765 6 residues pruned to eliminate duplicates Z: 7 8.466 1.526 0.580 0.807 1.000 0.667 N 1.097 6 residues pruned to eliminate duplicates Z: 14 12.950 1.619 0.533 0.815 1.000 0.692 CB 1.101 14 residues pruned to eliminate duplicates Z: 11 10.323 1.513 0.766 0.675 0.900 0.700 CA 1.155 11 residues pruned to eliminate duplicates Z: 16 12.075 1.618 0.379 0.752 1.000 0.600 CA 1.116 16 residues pruned to eliminate duplicates Z: 13 9.394 1.564 0.464 0.817 0.833 0.667 CB 1.080 13 residues pruned to eliminate duplicates Z: 11 5.202 1.419 0.401 0.734 0.700 0.600 CB 0.958 11 residues pruned to eliminate duplicates Z: 18 10.278 1.726 0.737 0.413 0.882 0.647 CA 1.032 14 residues pruned to eliminate duplicates Z: 12 17.042 1.764 0.802 0.804 1.000 0.818 CB 1.239 12 residues pruned to eliminate duplicates Z: 23 10.461 1.684 0.494 0.519 0.818 0.636 CB 1.063 23 residues pruned to eliminate duplicates Z: 22 16.670 1.661 0.595 0.799 0.905 0.667 CB 1.169 12 residues pruned to eliminate duplicates Z: 20 13.692 1.648 0.675 0.620 0.895 0.632 CA 1.136 20 residues pruned to eliminate duplicates Z: 26 16.822 1.746 0.707 0.680 0.880 0.680 CB 1.087 26 residues pruned to eliminate duplicates Z: 6 5.060 1.483 0.565 0.720 1.000 0.600 CB 0.799 Z: 33 26.659 1.793 0.882 0.566 0.969 0.719 CA 1.352 36 residues pruned to eliminate duplicates Z: 9 3.708 1.475 0.450 0.742 0.750 0.750 CB 0.658 9 residues pruned to eliminate duplicates Z: 11 5.073 1.480 0.092 0.519 0.900 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 10 11.397 1.646 0.576 0.856 1.000 0.667 CB 1.080 9 residues pruned to eliminate duplicates Z: 24 16.662 1.769 0.679 0.445 0.913 0.565 CA 1.355 24 residues pruned to eliminate duplicates Z: 6 2.124 1.371 0.410 0.293 0.600 0.400 O 1.033 Z: 56 23.857 1.690 0.721 0.562 0.945 0.691 CB 1.101 56 residues pruned to eliminate duplicates Z: 14 9.383 1.535 0.337 0.855 1.000 0.769 CB 0.936 14 residues pruned to eliminate duplicates Z: 10 9.945 1.682 0.530 0.765 1.000 0.667 CB 1.018 10 residues pruned to eliminate duplicates Z: 7 7.287 1.746 0.246 0.582 1.000 0.500 CB 1.264 5 residues pruned to eliminate duplicates Z: 7 8.270 1.491 0.654 0.744 1.000 0.833 CA 1.101 Z: 7 3.946 1.436 0.162 0.665 1.000 0.500 N 0.829 Z: 61 25.248 1.691 0.655 0.504 0.967 0.683 CB 1.201 59 residues pruned to eliminate duplicates Z: 27 13.243 1.597 0.543 0.748 0.885 0.654 CB 0.955 27 residues pruned to eliminate duplicates Z: 8 7.825 1.590 0.823 0.550 0.857 0.714 CB 1.134 Z: 17 12.129 1.690 0.497 0.760 0.875 0.625 CB 1.087 17 residues pruned to eliminate duplicates Z: 15 12.258 1.676 0.208 0.812 1.000 0.714 CB 1.233 15 residues pruned to eliminate duplicates Z: 8 7.529 1.615 0.296 0.551 1.000 0.857 C 1.294 6 residues pruned to eliminate duplicates Z: 12 14.680 1.753 0.826 0.732 0.909 0.818 CB 1.235 12 residues pruned to eliminate duplicates Z: 13 13.497 1.858 0.345 0.843 1.000 0.833 CB 1.161 13 residues pruned to eliminate duplicates Z: 8 4.053 1.334 0.454 0.533 0.857 0.571 CA 0.893 8 residues pruned to eliminate duplicates Z: 33 19.360 1.685 0.481 0.650 0.969 0.719 CB 1.231 33 residues pruned to eliminate duplicates Z: 8 5.550 1.535 0.323 0.642 0.857 0.429 CB 1.055 Z: 13 15.282 1.756 0.740 0.911 1.000 0.917 CB 1.024 13 residues pruned to eliminate duplicates Z: 11 11.298 1.518 0.644 0.846 1.000 0.500 CB 1.064 10 residues pruned to eliminate duplicates Z: 20 13.160 1.573 1.070 0.605 0.737 0.632 CB 1.139 20 residues pruned to eliminate duplicates Z: 7 3.569 1.399 0.241 0.660 0.667 0.500 CB 1.085 Z: 14 13.343 1.653 0.821 0.905 1.000 0.923 CB 0.875 14 residues pruned to eliminate duplicates Z: 15 11.574 1.586 0.493 0.821 1.000 0.714 CB 0.989 15 residues pruned to eliminate duplicates Z: 14 19.526 1.729 1.068 0.936 1.000 0.846 CB 1.055 14 residues pruned to eliminate duplicates Z: 9 3.041 1.457 0.324 0.300 0.625 0.375 CB 1.115 Z: 10 10.072 1.661 0.574 0.832 1.000 0.778 CA 0.964 Z: 6 6.759 1.632 0.601 0.794 1.000 0.800 CA 0.894 6 residues pruned to eliminate duplicates Z: 8 3.085 1.446 0.210 0.377 0.714 0.429 CB 1.064 Z: 6 5.025 1.540 0.681 0.449 1.000 0.400 CA 0.915 6 residues pruned to eliminate duplicates Z: 8 5.121 1.514 0.264 0.727 0.857 0.571 CB 0.961 Z: 6 2.753 1.339 0.386 0.860 0.800 0.800 CB 0.610 6 residues pruned to eliminate duplicates Z: 12 11.671 1.693 0.443 0.910 1.000 1.000 CB 1.021 12 residues pruned to eliminate duplicates Z: 12 5.870 1.540 0.342 0.418 0.818 0.727 CA 1.140 10 residues pruned to eliminate duplicates Z: 7 5.941 1.378 0.620 0.699 1.000 0.333 CB 0.906 Z: 9 5.397 1.402 0.393 0.815 0.875 0.625 CB 0.849 Z: 6 3.217 1.627 -0.138 0.538 1.000 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 9 6.420 1.507 0.118 0.821 1.000 0.625 CB 1.020 9 residues pruned to eliminate duplicates Z: 16 13.177 1.693 0.588 0.866 0.867 0.600 CB 1.069 16 residues pruned to eliminate duplicates Z: 15 9.814 1.665 0.209 0.847 1.000 0.857 CB 0.967 15 residues pruned to eliminate duplicates Z: 12 19.319 1.764 0.902 0.856 1.000 0.909 CB 1.279 12 residues pruned to eliminate duplicates Z: 16 16.684 1.678 0.780 0.906 1.000 1.000 CB 1.025 16 residues pruned to eliminate duplicates Z: 23 15.426 1.595 0.573 0.792 0.909 0.500 CB 1.116 22 residues pruned to eliminate duplicates Z: 14 7.387 1.508 0.635 0.792 0.769 0.538 CB 0.836 14 residues pruned to eliminate duplicates Z: 16 14.010 1.603 0.682 0.801 0.867 0.667 CB 1.189 16 residues pruned to eliminate duplicates Z: 7 4.080 1.238 0.789 0.417 0.833 0.500 N 0.984 7 residues pruned to eliminate duplicates Z: 8 9.228 1.542 0.632 0.845 0.857 0.714 C 1.202 8 residues pruned to eliminate duplicates Z: 10 13.169 1.668 0.791 0.749 1.000 0.889 CB 1.177 Z: 7 2.298 1.252 0.789 0.422 0.833 0.500 N 0.545 Z: 14 7.892 1.693 -0.014 0.899 1.000 1.000 CB 0.938 14 residues pruned to eliminate duplicates Z: 26 19.252 1.804 0.581 0.564 1.000 0.760 CA 1.269 26 residues pruned to eliminate duplicates Z: 11 8.531 1.576 0.630 0.853 0.800 0.500 CB 0.970 11 residues pruned to eliminate duplicates Z: 11 7.743 1.458 0.944 0.925 1.000 0.800 CB 0.606 11 residues pruned to eliminate duplicates Z: 18 9.413 1.526 0.636 0.407 0.882 0.824 CB 1.143 18 residues pruned to eliminate duplicates Z: 16 10.654 1.515 0.498 0.805 1.000 0.667 CB 0.929 16 residues pruned to eliminate duplicates Z: 6 2.077 1.495 -0.400 0.602 1.000 0.800 CB 0.939 Z: 12 13.811 1.783 0.523 0.885 1.000 0.818 CA 1.107 12 residues pruned to eliminate duplicates Z: 18 13.323 1.624 0.643 0.546 0.882 0.529 CB 1.312 18 residues pruned to eliminate duplicates Z: 16 10.449 1.523 0.561 0.896 1.000 0.733 CB 0.813 16 residues pruned to eliminate duplicates Z: 8 6.999 1.500 0.353 0.825 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 7 3.500 1.408 0.355 0.653 1.000 0.667 CB 0.649 Z: 6 6.688 1.420 1.408 0.721 0.800 0.800 N 0.895 Z: 15 9.000 1.525 0.489 0.774 0.857 0.571 CB 0.970 15 residues pruned to eliminate duplicates Z: 32 19.848 1.726 0.752 0.530 0.968 0.677 CA 1.183 32 residues pruned to eliminate duplicates 6 1.048 1.344 0.001 0.247 0.600 0.600 CB 0.777 ? Z: 7 2.453 1.396 0.188 0.443 0.667 0.500 O 0.960 7 residues pruned to eliminate duplicates Z: 15 16.293 1.684 0.598 0.872 1.000 0.929 CB 1.179 15 residues pruned to eliminate duplicates Z: 9 3.938 1.184 0.613 0.475 0.750 0.500 O 0.997 Z: 11 10.825 1.539 0.832 0.786 0.900 0.600 CA 1.050 10 residues pruned to eliminate duplicates Z: 16 13.232 1.699 0.497 0.800 0.933 0.600 CA 1.107 16 residues pruned to eliminate duplicates Z: 11 8.948 1.477 0.625 0.628 1.000 0.700 CB 1.045 11 residues pruned to eliminate duplicates Z: 59 32.524 1.814 0.948 0.563 0.914 0.638 CB 1.245 59 residues pruned to eliminate duplicates Z: 10 15.991 1.740 0.664 0.851 1.000 0.778 CA 1.363 10 residues pruned to eliminate duplicates Z: 6 4.588 1.650 0.487 0.782 0.800 0.400 CB 0.816 6 residues pruned to eliminate duplicates Z: 12 7.461 1.549 0.374 0.643 1.000 0.636 CB 0.925 12 residues pruned to eliminate duplicates Z: 11 3.132 1.436 0.624 0.210 0.600 0.300 CB 0.998 Z: 12 3.543 1.373 0.192 0.349 0.818 0.545 CB 0.939 8 residues pruned to eliminate duplicates Z: 23 17.743 1.661 0.631 0.877 0.909 0.818 CB 1.115 23 residues pruned to eliminate duplicates Z: 33 15.883 1.697 0.550 0.455 0.875 0.688 CB 1.277 33 residues pruned to eliminate duplicates Z: 28 20.165 1.742 0.741 0.692 0.889 0.704 CB 1.208 28 residues pruned to eliminate duplicates Z: 9 8.608 1.588 0.848 0.849 0.750 0.625 CB 1.025 9 residues pruned to eliminate duplicates Z: 18 15.730 1.678 0.724 0.674 0.882 0.647 CB 1.273 18 residues pruned to eliminate duplicates Z: 14 16.001 1.759 0.833 0.562 1.000 0.692 CA 1.297 14 residues pruned to eliminate duplicates Z: 10 6.691 1.498 0.328 0.814 0.778 0.667 CA 1.097 10 residues pruned to eliminate duplicates Z: 7 3.849 1.439 0.832 0.393 0.833 0.667 N 0.802 Z: 36 19.433 1.592 0.599 0.715 1.000 0.686 CB 1.062 36 residues pruned to eliminate duplicates 6 1.312 1.412 -0.056 0.769 0.800 0.600 CB 0.434 ? Z: 21 10.297 1.619 0.606 0.454 0.900 0.550 CB 1.031 20 residues pruned to eliminate duplicates Z: 10 5.653 1.456 0.648 0.892 1.000 0.667 CB 0.564 9 residues pruned to eliminate duplicates Z: 16 13.023 1.600 0.384 0.899 1.000 0.867 CB 1.086 16 residues pruned to eliminate duplicates Z: 9 15.893 1.790 0.832 0.905 1.000 0.500 CB 1.220 10 residues pruned to eliminate duplicates Z: 26 11.911 1.562 0.590 0.450 0.880 0.480 CB 1.148 26 residues pruned to eliminate duplicates Z: 14 9.580 1.718 0.576 0.422 0.923 0.692 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 15.358 1.717 0.480 0.869 1.000 0.692 CA 1.225 14 residues pruned to eliminate duplicates Z: 8 6.712 1.531 0.173 0.673 1.000 0.857 CB 1.204 Z: 12 7.450 1.422 0.516 0.647 0.909 0.727 CB 0.999 12 residues pruned to eliminate duplicates Z: 6 3.582 1.300 0.347 0.429 1.000 0.600 CA 0.985 Z: 11 8.161 1.481 0.527 0.856 1.000 1.000 CB 0.842 11 residues pruned to eliminate duplicates Z: 12 11.415 1.617 0.598 0.712 1.000 0.818 CA 1.100 12 residues pruned to eliminate duplicates Z: 8 3.724 1.506 0.333 0.520 0.714 0.429 CB 0.963 8 residues pruned to eliminate duplicates Z: 15 9.572 1.632 0.379 0.896 1.000 0.643 CB 0.814 15 residues pruned to eliminate duplicates Z: 29 19.551 1.645 0.707 0.744 0.964 0.714 CB 1.096 29 residues pruned to eliminate duplicates Z: 6 4.131 1.242 0.658 0.613 0.800 0.600 CB 1.008 Z: 31 19.962 1.681 0.711 0.532 0.933 0.500 CB 1.315 35 residues pruned to eliminate duplicates Z: 11 24.112 1.845 1.319 0.884 1.000 1.000 CA 1.288 11 residues pruned to eliminate duplicates Z: 29 14.043 1.651 0.688 0.538 0.821 0.607 CA 1.117 29 residues pruned to eliminate duplicates Z: 12 9.611 1.728 0.229 0.891 1.000 0.818 CB 0.982 12 residues pruned to eliminate duplicates Z: 7 2.134 1.384 0.356 0.392 0.500 0.500 O 1.041 Z: 13 3.774 1.368 0.560 0.397 0.667 0.250 CB 0.853 13 residues pruned to eliminate duplicates 765 residues left after pruning, divided into chains as follows: A: 23 B: 18 C: 56 D: 8 E: 68 F: 19 G: 67 H: 68 I: 79 J: 38 K: 23 L: 35 M: 82 N: 11 O: 8 P: 25 Q: 30 R: 66 S: 41 CC for partial structure against native data = 39.96 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.361, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.423, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.503, Connect. = 0.733 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.736 for dens.mod. cycle 4 = 0.300, Contrast = 0.525, Connect. = 0.739 for dens.mod. cycle 5 = 0.300, Contrast = 0.531, Connect. = 0.741 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.744 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.746 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.747 for dens.mod. cycle 9 = 0.300, Contrast = 0.545, Connect. = 0.748 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3764 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 836 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.678 1.637 0.605 0.841 1.000 0.818 CB 1.341 B: 14 21.694 1.898 0.859 0.789 1.000 0.846 CA 1.323 C: 12 14.776 1.637 0.510 0.884 1.000 1.000 CA 1.302 12 residues pruned to eliminate duplicates D: 14 20.035 1.821 0.523 0.948 1.000 1.000 CB 1.384 E: 10 19.674 1.829 0.822 0.840 1.000 0.889 CA 1.468 F: 14 16.038 1.716 0.645 0.868 1.000 0.923 CB 1.152 G: 24 13.982 1.618 0.436 0.779 0.913 0.652 CA 1.075 14 residues pruned to eliminate duplicates H: 19 10.257 1.798 0.341 0.416 0.944 0.611 CA 1.159 I: 12 21.410 1.924 0.986 0.802 0.909 0.727 CA 1.427 12 residues pruned to eliminate duplicates J: 15 23.644 1.803 0.750 0.932 1.000 1.000 CA 1.398 14 residues pruned to eliminate duplicates K: 9 8.927 1.622 0.642 0.694 0.875 0.625 CB 1.135 L: 12 12.029 1.776 0.337 0.915 1.000 1.000 CB 1.079 M: 13 11.346 1.597 0.434 0.873 1.000 0.917 CA 1.042 N: 9 16.497 1.876 0.995 0.757 1.000 1.000 CB 1.240 O: 17 13.285 1.544 0.458 0.734 0.938 0.688 CB 1.275 P: 12 10.119 1.746 0.724 0.612 0.909 0.727 CA 1.002 Q: 7 6.097 1.816 -0.241 0.893 1.000 0.833 CB 1.296 R: 11 10.694 1.702 0.554 0.628 0.900 0.600 CB 1.259 13 residues pruned to eliminate duplicates S: 13 11.265 1.770 0.469 0.542 1.000 0.667 CB 1.199 T: 14 17.048 1.766 0.886 0.660 0.923 0.769 CB 1.327 U: 30 23.511 1.862 0.547 0.617 0.966 0.552 CA 1.405 V: 14 16.420 1.577 0.863 0.816 0.923 0.769 CB 1.276 10 residues pruned to eliminate duplicates W: 11 10.675 1.522 0.552 0.714 1.000 0.800 N 1.177 X: 11 19.789 1.883 1.209 0.729 0.900 0.800 CB 1.360 Y: 7 9.738 1.841 0.748 0.743 0.833 0.667 CB 1.192 7 residues pruned to eliminate duplicates Z: 14 8.422 1.770 0.605 0.324 0.923 0.538 CA 1.080 Z: 13 23.322 1.857 1.181 0.838 0.917 0.833 CA 1.355 14 residues pruned to eliminate duplicates Z: 12 24.430 1.955 1.073 0.871 1.000 0.818 CA 1.326 13 residues pruned to eliminate duplicates Z: 12 17.468 1.833 0.698 0.808 1.000 0.727 CB 1.294 13 residues pruned to eliminate duplicates Z: 10 16.081 1.861 0.884 0.676 0.889 0.889 CA 1.462 10 residues pruned to eliminate duplicates Z: 17 14.235 1.518 0.614 0.754 0.938 0.562 CA 1.235 17 residues pruned to eliminate duplicates Z: 23 20.847 1.703 0.681 0.772 0.909 0.682 CB 1.343 24 residues pruned to eliminate duplicates Z: 7 5.327 1.790 0.705 0.347 0.833 0.500 CB 1.010 Z: 11 16.123 1.928 0.563 0.913 1.000 0.900 CB 1.197 12 residues pruned to eliminate duplicates Z: 7 7.471 1.520 0.501 0.791 1.000 0.500 N 1.036 Z: 12 21.454 1.944 0.772 0.761 1.000 0.818 CB 1.489 Z: 15 10.822 1.809 1.160 0.365 0.786 0.571 CA 1.089 7 residues pruned to eliminate duplicates Z: 10 11.953 1.689 0.838 0.646 0.889 0.778 CB 1.260 Z: 21 15.198 1.733 0.869 0.789 0.800 0.550 CB 1.017 12 residues pruned to eliminate duplicates Z: 17 15.991 1.690 0.688 0.792 0.938 0.750 CA 1.157 Z: 16 16.712 1.725 0.727 0.870 0.933 0.800 CA 1.133 Z: 12 18.455 1.727 1.157 0.900 0.909 0.636 CB 1.174 12 residues pruned to eliminate duplicates Z: 15 11.738 1.762 0.573 0.819 0.929 0.714 CB 0.924 15 residues pruned to eliminate duplicates Z: 9 5.194 1.540 0.824 0.272 0.875 0.625 CB 0.968 6 residues pruned to eliminate duplicates Z: 14 19.888 1.826 0.636 0.930 1.000 0.923 CB 1.291 16 residues pruned to eliminate duplicates Z: 9 3.517 1.608 0.104 0.270 0.750 0.500 CB 1.213 Z: 12 13.754 1.906 0.534 0.898 0.909 0.909 CB 1.115 12 residues pruned to eliminate duplicates Z: 15 16.590 1.821 0.711 0.787 0.929 0.571 CA 1.190 16 residues pruned to eliminate duplicates Z: 11 5.695 1.427 0.398 0.806 0.900 0.700 CB 0.768 Z: 14 16.029 1.688 0.498 0.848 1.000 0.769 CB 1.305 Z: 7 5.796 1.778 -0.114 0.872 1.000 0.667 CA 1.095 6 residues pruned to eliminate duplicates Z: 24 15.763 1.799 0.807 0.466 0.913 0.652 CB 1.146 15 residues pruned to eliminate duplicates Z: 36 25.214 1.843 0.501 0.674 0.971 0.800 CB 1.350 25 residues pruned to eliminate duplicates Z: 12 16.800 1.847 0.865 0.820 0.909 0.727 CB 1.226 12 residues pruned to eliminate duplicates Z: 9 4.579 1.587 0.138 0.425 0.875 0.500 CB 1.108 Z: 12 8.580 1.519 0.546 0.565 0.909 0.727 CB 1.138 Z: 15 19.077 1.756 0.533 0.936 1.000 1.000 CA 1.320 15 residues pruned to eliminate duplicates Z: 11 14.048 1.755 0.721 0.795 1.000 0.700 CB 1.135 Z: 14 13.985 1.744 0.439 0.865 1.000 0.846 CB 1.132 Z: 13 13.925 1.764 0.605 0.685 1.000 0.833 CB 1.198 13 residues pruned to eliminate duplicates Z: 15 26.178 1.811 1.051 0.941 1.000 0.929 CB 1.307 15 residues pruned to eliminate duplicates Z: 11 11.093 1.751 0.884 0.666 0.800 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 13 18.065 1.766 0.634 0.845 1.000 0.917 CB 1.344 13 residues pruned to eliminate duplicates Z: 12 18.135 1.766 1.075 0.807 0.909 0.909 CB 1.255 12 residues pruned to eliminate duplicates Z: 6 6.796 1.605 0.397 0.827 1.000 0.800 CB 1.022 Z: 17 5.720 1.389 0.711 0.781 0.750 0.375 CB 0.627 9 residues pruned to eliminate duplicates Z: 16 14.098 1.876 0.622 0.473 0.867 0.600 CA 1.419 15 residues pruned to eliminate duplicates Z: 8 6.231 1.719 0.230 0.849 1.000 1.000 CB 0.826 8 residues pruned to eliminate duplicates Z: 16 11.973 1.623 0.412 0.712 0.867 0.600 CB 1.284 16 residues pruned to eliminate duplicates Z: 14 13.856 1.726 0.339 0.861 1.000 0.769 CA 1.222 14 residues pruned to eliminate duplicates Z: 11 9.919 1.791 0.445 0.550 1.000 0.800 CB 1.154 Z: 11 13.531 1.667 0.860 0.723 0.900 0.900 CB 1.254 Z: 16 14.314 1.698 0.588 0.738 0.933 0.800 CA 1.187 16 residues pruned to eliminate duplicates Z: 13 15.229 1.822 0.621 0.711 0.917 0.833 N 1.341 13 residues pruned to eliminate duplicates Z: 12 24.345 1.928 1.026 0.862 1.000 0.727 CA 1.379 12 residues pruned to eliminate duplicates Z: 28 16.087 1.803 0.488 0.478 0.889 0.593 CB 1.329 28 residues pruned to eliminate duplicates Z: 16 10.851 1.695 0.501 0.490 0.867 0.533 CB 1.283 Z: 46 27.061 1.779 0.869 0.628 0.956 0.711 CB 1.126 33 residues pruned to eliminate duplicates Z: 17 7.950 1.501 0.486 0.521 0.875 0.625 N 0.998 9 residues pruned to eliminate duplicates Z: 7 3.454 1.414 0.571 0.230 0.833 0.167 CA 1.044 Z: 15 21.951 1.806 0.712 0.931 1.000 0.929 CB 1.325 15 residues pruned to eliminate duplicates Z: 8 4.175 1.306 0.305 0.642 0.857 0.571 CA 0.946 Z: 14 12.930 1.739 0.467 0.858 0.923 0.846 CB 1.121 Z: 14 13.082 1.740 0.522 0.841 0.923 0.846 CB 1.106 14 residues pruned to eliminate duplicates Z: 19 11.654 1.541 0.560 0.816 0.889 0.611 CB 0.977 19 residues pruned to eliminate duplicates Z: 11 2.747 1.574 0.398 0.254 0.500 0.200 CA 1.047 11 residues pruned to eliminate duplicates Z: 13 22.019 1.834 0.653 0.943 1.000 0.917 CB 1.453 13 residues pruned to eliminate duplicates Z: 13 14.645 1.744 0.562 0.826 1.000 0.833 CB 1.170 13 residues pruned to eliminate duplicates Z: 11 4.474 1.565 0.511 0.389 0.800 0.600 CB 0.841 7 residues pruned to eliminate duplicates Z: 13 15.017 1.715 0.515 0.834 1.000 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 9 14.133 1.602 1.211 0.784 0.875 0.875 CA 1.256 Z: 20 13.642 1.690 0.569 0.650 0.895 0.789 CB 1.147 Z: 12 17.031 1.854 0.612 0.836 1.000 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 14 12.915 1.625 0.783 0.889 1.000 0.846 CB 0.890 Z: 9 8.216 1.632 0.462 0.832 1.000 0.750 CB 0.914 Z: 20 10.288 1.378 0.472 0.767 0.895 0.737 CB 1.026 20 residues pruned to eliminate duplicates Z: 12 15.901 1.784 0.489 0.861 1.000 1.000 CB 1.327 12 residues pruned to eliminate duplicates Z: 30 23.908 1.852 0.582 0.610 0.966 0.655 CA 1.413 30 residues pruned to eliminate duplicates Z: 11 11.802 1.672 0.869 0.575 0.900 0.600 CB 1.234 Z: 12 12.465 1.854 0.634 0.576 1.000 0.818 CA 1.154 14 residues pruned to eliminate duplicates Z: 38 24.435 1.841 0.553 0.590 0.973 0.730 CB 1.326 32 residues pruned to eliminate duplicates Z: 16 23.092 1.680 1.044 0.877 1.000 0.667 CB 1.260 16 residues pruned to eliminate duplicates Z: 15 26.811 1.858 0.964 0.912 1.000 0.929 CB 1.391 15 residues pruned to eliminate duplicates Z: 17 13.100 1.574 0.499 0.824 0.938 0.625 CA 1.119 Z: 10 5.337 1.546 0.014 0.788 0.778 0.556 N 1.133 6 residues pruned to eliminate duplicates Z: 23 11.225 1.662 0.519 0.488 0.773 0.682 CB 1.242 16 residues pruned to eliminate duplicates Z: 16 14.021 1.694 0.395 0.855 1.000 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 13 15.612 1.746 0.505 0.885 1.000 0.833 N 1.239 6 residues pruned to eliminate duplicates Z: 24 14.597 1.876 0.692 0.452 0.870 0.652 CB 1.157 23 residues pruned to eliminate duplicates Z: 7 10.065 1.713 0.814 0.852 1.000 0.833 CB 0.978 7 residues pruned to eliminate duplicates Z: 12 23.579 1.964 0.910 0.924 1.000 1.000 CA 1.331 12 residues pruned to eliminate duplicates Z: 9 16.635 1.885 0.809 0.776 1.000 0.875 CB 1.351 9 residues pruned to eliminate duplicates Z: 10 12.300 1.805 0.472 0.865 1.000 0.889 CB 1.130 10 residues pruned to eliminate duplicates Z: 14 12.030 1.662 0.562 0.753 1.000 0.692 CA 1.026 14 residues pruned to eliminate duplicates Z: 45 25.282 1.775 0.707 0.598 0.955 0.614 CB 1.200 45 residues pruned to eliminate duplicates Z: 29 14.696 1.704 0.681 0.391 0.893 0.536 CA 1.219 5 residues pruned to eliminate duplicates Z: 9 12.343 1.627 0.901 0.757 0.875 0.875 CB 1.282 Z: 11 18.060 1.992 0.514 0.922 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 42 22.136 1.730 0.685 0.587 0.902 0.561 CB 1.210 29 residues pruned to eliminate duplicates Z: 14 12.609 1.721 0.302 0.847 1.000 0.923 CB 1.159 14 residues pruned to eliminate duplicates Z: 13 12.548 1.617 0.864 0.835 0.917 0.833 CB 0.983 Z: 16 10.976 1.589 0.416 0.813 0.933 0.733 CB 1.028 Z: 10 11.211 1.607 0.434 0.854 1.000 0.889 N 1.198 9 residues pruned to eliminate duplicates Z: 15 17.538 1.794 0.558 0.817 1.000 0.857 CA 1.274 13 residues pruned to eliminate duplicates Z: 10 14.169 1.706 0.568 0.884 1.000 0.889 CA 1.276 10 residues pruned to eliminate duplicates Z: 19 11.223 1.781 0.262 0.484 0.889 0.667 CA 1.345 19 residues pruned to eliminate duplicates Z: 14 22.586 1.841 0.968 0.835 0.923 0.692 CB 1.403 14 residues pruned to eliminate duplicates Z: 50 23.886 1.655 0.566 0.620 0.980 0.633 CB 1.199 17 residues pruned to eliminate duplicates Z: 13 14.761 1.712 0.677 0.881 1.000 0.917 CB 1.074 13 residues pruned to eliminate duplicates Z: 10 13.263 1.692 0.544 0.847 1.000 0.667 N 1.257 19 residues pruned to eliminate duplicates Z: 12 7.830 1.653 0.636 0.486 0.727 0.545 N 1.217 Z: 15 18.281 1.726 0.522 0.908 1.000 0.857 CA 1.321 15 residues pruned to eliminate duplicates Z: 18 16.740 1.669 0.605 0.794 0.941 0.588 CA 1.245 16 residues pruned to eliminate duplicates Z: 12 7.263 1.789 0.116 0.385 1.000 0.727 CA 1.240 12 residues pruned to eliminate duplicates Z: 39 32.438 1.810 0.761 0.712 0.974 0.789 CB 1.399 39 residues pruned to eliminate duplicates Z: 11 6.974 1.656 1.054 0.345 0.700 0.500 CB 1.096 11 residues pruned to eliminate duplicates Z: 21 15.485 1.758 0.601 0.550 0.950 0.750 CB 1.234 21 residues pruned to eliminate duplicates Z: 13 9.883 1.660 0.117 0.844 1.000 0.833 CA 1.145 13 residues pruned to eliminate duplicates Z: 14 9.689 1.700 0.594 0.603 1.000 0.538 CB 0.899 11 residues pruned to eliminate duplicates Z: 6 3.265 1.672 0.214 0.573 1.000 0.600 CB 0.670 Z: 8 7.778 1.692 0.409 0.704 0.714 0.714 CA 1.433 8 residues pruned to eliminate duplicates Z: 12 10.051 1.731 0.850 0.392 0.909 0.545 CB 1.167 12 residues pruned to eliminate duplicates Z: 11 14.479 1.734 0.736 0.755 0.900 0.800 CB 1.347 Z: 15 24.779 1.836 1.021 0.930 1.000 1.000 CB 1.248 15 residues pruned to eliminate duplicates Z: 12 8.566 1.628 0.573 0.675 0.818 0.455 CA 1.049 12 residues pruned to eliminate duplicates Z: 14 18.819 1.845 0.613 0.859 1.000 0.692 CB 1.291 13 residues pruned to eliminate duplicates Z: 11 13.161 1.636 0.749 0.742 0.900 0.900 CB 1.301 Z: 14 6.050 1.457 0.059 0.863 0.846 0.692 CB 0.943 14 residues pruned to eliminate duplicates Z: 50 25.934 1.750 0.619 0.632 0.959 0.612 CB 1.204 54 residues pruned to eliminate duplicates Z: 11 10.977 1.613 0.952 0.709 0.800 0.800 N 1.140 Z: 42 20.445 1.730 0.587 0.553 0.927 0.561 CA 1.192 42 residues pruned to eliminate duplicates Z: 12 10.107 1.621 0.407 0.843 0.909 0.727 CB 1.094 12 residues pruned to eliminate duplicates Z: 6 3.386 1.354 0.850 0.644 0.800 0.800 CA 0.661 Z: 16 13.572 1.639 0.693 0.755 0.933 0.533 CB 1.078 16 residues pruned to eliminate duplicates Z: 12 13.111 1.687 0.868 0.747 0.909 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 15 24.242 1.831 1.044 0.918 1.000 0.786 CB 1.221 15 residues pruned to eliminate duplicates Z: 8 4.400 1.584 0.024 0.449 0.857 0.429 CB 1.260 7 residues pruned to eliminate duplicates Z: 9 3.825 1.447 0.670 0.258 0.750 0.500 N 0.984 Z: 8 6.815 1.621 0.398 0.566 0.857 0.714 CB 1.244 Z: 17 6.976 1.584 0.249 0.593 0.875 0.812 N 0.922 8 residues pruned to eliminate duplicates Z: 12 15.624 1.920 0.760 0.841 1.000 0.818 CB 1.040 12 residues pruned to eliminate duplicates Z: 9 11.673 1.666 0.518 0.817 1.000 0.375 CB 1.240 9 residues pruned to eliminate duplicates Z: 13 15.931 1.631 0.835 0.816 1.000 0.583 N 1.167 13 residues pruned to eliminate duplicates Z: 13 15.985 1.740 0.522 0.839 1.000 0.833 CA 1.300 13 residues pruned to eliminate duplicates Z: 11 18.439 1.686 0.987 0.815 1.000 0.800 CB 1.324 19 residues pruned to eliminate duplicates Z: 10 9.628 1.602 0.585 0.860 0.778 0.444 CB 1.195 11 residues pruned to eliminate duplicates Z: 11 21.459 1.863 1.103 0.856 1.000 1.000 CB 1.277 14 residues pruned to eliminate duplicates Z: 16 17.093 1.843 0.825 0.500 0.933 0.600 CA 1.406 16 residues pruned to eliminate duplicates Z: 7 5.637 1.618 0.463 0.734 0.833 0.667 CB 0.945 7 residues pruned to eliminate duplicates Z: 31 22.170 1.835 0.516 0.632 0.967 0.733 CA 1.330 31 residues pruned to eliminate duplicates Z: 10 8.330 1.692 0.528 0.816 1.000 0.667 CB 0.816 10 residues pruned to eliminate duplicates Z: 10 7.740 1.914 0.581 0.379 0.778 0.556 CA 1.247 10 residues pruned to eliminate duplicates Z: 11 14.461 1.804 0.968 0.788 0.900 0.800 CB 1.111 12 residues pruned to eliminate duplicates Z: 8 6.499 1.501 0.222 0.869 1.000 0.857 CB 0.978 11 residues pruned to eliminate duplicates Z: 8 5.308 1.574 0.384 0.382 0.857 0.571 CB 1.219 Z: 13 17.296 1.914 0.740 0.550 0.917 0.750 CB 1.558 14 residues pruned to eliminate duplicates Z: 13 17.079 1.715 0.522 0.853 1.000 0.917 CA 1.397 14 residues pruned to eliminate duplicates Z: 13 17.279 1.732 0.700 0.907 1.000 0.833 CA 1.204 13 residues pruned to eliminate duplicates Z: 27 13.896 1.713 0.516 0.479 0.962 0.615 CB 1.115 27 residues pruned to eliminate duplicates Z: 11 7.727 1.628 0.569 0.547 0.900 0.700 CB 1.015 Z: 16 14.032 1.759 0.554 0.789 0.933 0.667 CA 1.102 16 residues pruned to eliminate duplicates Z: 7 3.758 1.806 0.531 0.279 0.833 0.333 CB 0.855 7 residues pruned to eliminate duplicates Z: 7 6.563 1.725 -0.005 0.747 1.000 0.833 CB 1.251 Z: 16 8.969 1.622 0.485 0.420 0.867 0.467 CB 1.206 16 residues pruned to eliminate duplicates Z: 16 5.617 1.502 0.474 0.331 0.733 0.333 CB 1.075 Z: 11 3.040 1.491 0.190 0.228 0.700 0.400 CB 1.063 Z: 6 4.224 1.885 0.540 0.382 0.600 0.400 CA 1.229 6 residues pruned to eliminate duplicates Z: 10 6.729 1.702 0.153 0.811 0.889 0.778 CB 0.981 10 residues pruned to eliminate duplicates Z: 14 8.615 1.656 0.751 0.542 0.846 0.769 N 0.935 Z: 11 10.403 1.632 0.608 0.698 0.900 0.800 N 1.163 10 residues pruned to eliminate duplicates Z: 7 8.455 1.698 0.104 0.893 1.000 1.000 CA 1.321 7 residues pruned to eliminate duplicates Z: 7 2.613 1.446 0.258 0.655 0.667 0.333 CB 0.762 Z: 8 6.589 1.400 0.960 0.871 1.000 0.857 CB 0.662 8 residues pruned to eliminate duplicates Z: 31 25.168 1.827 0.674 0.653 0.967 0.733 CB 1.348 31 residues pruned to eliminate duplicates Z: 11 10.740 1.498 0.508 0.641 1.000 0.600 CA 1.317 8 residues pruned to eliminate duplicates Z: 6 5.537 1.633 0.628 0.366 1.000 0.400 CB 1.075 Z: 16 9.875 1.684 0.763 0.344 0.933 0.667 CB 1.090 11 residues pruned to eliminate duplicates Z: 15 10.578 1.708 0.282 0.440 1.000 0.643 CB 1.372 6 residues pruned to eliminate duplicates Z: 13 12.209 1.723 0.431 0.854 0.917 0.833 CB 1.152 17 residues pruned to eliminate duplicates Z: 12 14.335 1.827 0.342 0.870 1.000 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 17 14.097 1.677 0.582 0.769 0.875 0.562 CB 1.196 17 residues pruned to eliminate duplicates Z: 7 5.664 1.271 0.682 0.759 1.000 0.833 CA 0.859 Z: 6 2.600 1.547 0.588 0.267 0.800 0.600 CB 0.771 Z: 14 7.987 1.373 0.267 0.883 1.000 0.846 CA 0.921 13 residues pruned to eliminate duplicates Z: 14 13.312 1.806 0.372 0.847 0.923 0.769 CB 1.198 14 residues pruned to eliminate duplicates Z: 13 14.708 1.728 0.431 0.880 1.000 0.917 CB 1.244 14 residues pruned to eliminate duplicates Z: 34 19.794 1.792 0.561 0.601 0.909 0.788 CB 1.231 34 residues pruned to eliminate duplicates Z: 8 6.066 1.673 0.963 0.305 0.714 0.571 CB 1.215 Z: 16 12.065 1.699 0.378 0.866 0.933 0.933 CB 1.043 16 residues pruned to eliminate duplicates Z: 11 10.089 1.717 0.409 0.905 1.000 1.000 CB 0.938 11 residues pruned to eliminate duplicates Z: 7 5.370 1.492 0.816 0.774 1.000 0.667 CB 0.635 Z: 12 3.467 1.451 0.262 0.279 0.727 0.455 CB 1.007 12 residues pruned to eliminate duplicates Z: 16 13.092 1.798 0.635 0.499 0.867 0.467 CA 1.327 10 residues pruned to eliminate duplicates Z: 10 8.314 1.448 0.555 0.811 0.889 0.444 CA 1.056 10 residues pruned to eliminate duplicates Z: 43 25.356 1.798 0.656 0.641 0.905 0.738 CB 1.273 30 residues pruned to eliminate duplicates Z: 6 3.848 1.647 0.243 0.873 1.000 0.800 CB 0.612 Z: 9 10.167 1.576 0.369 0.842 1.000 0.375 CB 1.242 9 residues pruned to eliminate duplicates Z: 12 4.808 1.581 0.531 0.293 0.727 0.364 CB 1.038 Z: 10 8.542 1.610 0.599 0.544 0.889 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 7 5.471 1.673 0.123 0.742 1.000 0.667 CB 0.957 7 residues pruned to eliminate duplicates Z: 43 23.583 1.763 0.719 0.622 0.952 0.643 CB 1.123 43 residues pruned to eliminate duplicates Z: 14 14.234 1.741 0.650 0.869 0.923 0.769 CB 1.088 14 residues pruned to eliminate duplicates Z: 6 5.008 1.603 -0.074 0.838 1.000 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 15 19.456 1.763 0.586 0.940 1.000 1.000 CA 1.291 15 residues pruned to eliminate duplicates Z: 10 8.985 1.817 0.967 0.696 0.889 0.778 CB 0.788 10 residues pruned to eliminate duplicates Z: 9 5.453 1.571 0.430 0.635 1.000 0.625 CB 0.757 Z: 9 3.657 1.427 0.198 0.624 0.875 0.750 CB 0.769 Z: 17 15.305 1.787 0.530 0.628 0.938 0.562 CB 1.324 17 residues pruned to eliminate duplicates Z: 12 10.068 1.883 0.394 0.483 1.000 0.818 CA 1.177 12 residues pruned to eliminate duplicates Z: 11 12.354 1.737 0.596 0.732 0.900 0.900 N 1.271 11 residues pruned to eliminate duplicates Z: 7 10.349 1.680 0.770 0.727 0.833 0.500 N 1.389 7 residues pruned to eliminate duplicates Z: 8 7.397 1.678 0.164 0.739 1.000 0.714 CB 1.156 8 residues pruned to eliminate duplicates Z: 12 18.449 1.797 0.951 0.803 0.909 0.909 CA 1.339 17 residues pruned to eliminate duplicates Z: 6 4.913 1.487 0.424 0.783 1.000 0.600 CB 0.809 Z: 7 4.597 1.399 0.480 0.756 1.000 0.500 CA 0.722 7 residues pruned to eliminate duplicates Z: 6 2.669 1.468 0.662 0.825 0.800 0.600 CB 0.461 Z: 14 13.392 1.742 0.418 0.836 0.923 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 8 6.290 1.556 0.811 0.455 0.857 0.571 CB 1.031 7 1.702 1.215 0.739 0.249 0.500 0.333 N 0.879 ? Z: 37 20.869 1.744 0.594 0.550 0.944 0.667 CB 1.262 35 residues pruned to eliminate duplicates Z: 8 2.263 1.238 0.444 0.232 0.714 0.286 N 0.915 Z: 8 7.156 1.492 0.372 0.877 1.000 0.857 CA 0.960 8 residues pruned to eliminate duplicates Z: 9 8.432 1.629 0.734 0.652 0.750 0.625 N 1.222 9 residues pruned to eliminate duplicates Z: 9 4.965 1.540 0.347 0.489 0.875 0.500 CB 0.978 Z: 11 5.777 1.596 0.338 0.315 0.800 0.400 CA 1.312 Z: 15 14.786 1.722 0.582 0.780 0.929 0.643 CB 1.220 15 residues pruned to eliminate duplicates Z: 15 15.858 1.655 0.423 0.838 1.000 0.429 CA 1.345 19 residues pruned to eliminate duplicates Z: 16 14.800 1.878 0.435 0.613 0.933 0.867 CA 1.364 14 residues pruned to eliminate duplicates Z: 23 23.885 1.673 0.915 0.768 0.955 0.591 N 1.314 23 residues pruned to eliminate duplicates Z: 13 12.436 1.669 0.572 0.765 0.917 0.500 CB 1.180 13 residues pruned to eliminate duplicates Z: 15 15.682 1.700 0.618 0.867 1.000 0.643 CA 1.115 15 residues pruned to eliminate duplicates Z: 12 16.621 1.777 0.655 0.728 1.000 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 10 7.624 1.649 0.339 0.737 0.889 0.444 CB 1.046 10 residues pruned to eliminate duplicates Z: 12 18.077 1.794 1.069 0.826 0.909 0.909 CA 1.218 12 residues pruned to eliminate duplicates Z: 15 15.886 1.719 0.574 0.865 1.000 0.786 CB 1.150 15 residues pruned to eliminate duplicates Z: 21 9.630 1.788 0.312 0.407 0.900 0.600 CA 1.125 21 residues pruned to eliminate duplicates Z: 15 14.420 1.718 0.315 0.903 1.000 0.857 CA 1.216 15 residues pruned to eliminate duplicates Z: 15 11.254 1.729 0.490 0.834 0.786 0.500 CB 1.114 15 residues pruned to eliminate duplicates Z: 15 24.473 1.811 0.843 0.914 1.000 0.714 CB 1.385 15 residues pruned to eliminate duplicates Z: 11 5.768 1.704 0.765 0.332 0.700 0.400 N 1.041 11 residues pruned to eliminate duplicates Z: 9 5.326 1.412 0.772 0.809 0.875 0.500 CB 0.657 Z: 20 13.210 1.645 0.518 0.537 1.000 0.684 N 1.171 25 residues pruned to eliminate duplicates Z: 6 2.836 1.354 1.234 0.328 0.600 0.400 CB 0.843 Z: 12 10.540 1.769 0.464 0.649 0.909 0.636 CB 1.175 11 residues pruned to eliminate duplicates Z: 29 15.981 1.750 0.521 0.503 0.929 0.679 CA 1.218 29 residues pruned to eliminate duplicates Z: 6 10.079 1.921 0.266 0.880 1.000 1.000 CB 1.343 6 residues pruned to eliminate duplicates Z: 41 20.571 1.728 0.626 0.486 0.950 0.550 CB 1.235 41 residues pruned to eliminate duplicates Z: 38 16.124 1.750 0.488 0.445 0.892 0.568 CA 1.207 37 residues pruned to eliminate duplicates Z: 10 9.904 1.640 0.654 0.809 0.889 0.778 CA 1.046 10 residues pruned to eliminate duplicates Z: 7 5.169 1.519 0.259 0.691 1.000 0.833 CA 0.926 7 residues pruned to eliminate duplicates Z: 23 16.769 1.628 0.802 0.811 0.864 0.636 CB 1.076 13 residues pruned to eliminate duplicates Z: 6 2.522 1.664 0.377 0.100 0.600 0.200 C 1.367 Z: 7 2.227 1.456 -0.016 0.625 1.000 0.833 CB 0.564 7 residues pruned to eliminate duplicates Z: 44 24.721 1.766 0.490 0.660 0.907 0.767 CB 1.363 44 residues pruned to eliminate duplicates Z: 13 20.581 1.797 0.976 0.899 1.000 0.833 CB 1.196 13 residues pruned to eliminate duplicates Z: 22 17.959 1.722 0.684 0.717 0.952 0.714 CB 1.166 22 residues pruned to eliminate duplicates Z: 15 15.938 1.754 0.560 0.899 1.000 0.929 CA 1.113 15 residues pruned to eliminate duplicates Z: 7 13.008 1.766 0.568 0.887 1.000 0.833 CB 1.384 7 residues pruned to eliminate duplicates Z: 9 6.206 1.508 0.209 0.834 0.875 0.875 CB 1.031 9 residues pruned to eliminate duplicates Z: 7 8.620 1.847 0.212 0.820 0.833 0.667 CA 1.430 7 residues pruned to eliminate duplicates Z: 8 4.977 1.511 0.631 0.588 0.857 0.429 CB 0.818 Z: 10 7.714 1.838 0.755 0.327 0.778 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 8 7.716 1.717 0.496 0.806 1.000 0.857 CB 0.869 Z: 9 10.309 1.693 0.338 0.857 1.000 0.875 CA 1.185 8 residues pruned to eliminate duplicates Z: 7 2.485 1.677 0.137 0.361 0.667 0.500 CB 0.926 3 residues pruned to eliminate duplicates Z: 6 5.699 1.478 0.843 0.568 0.800 0.400 CA 1.095 Z: 10 5.001 1.525 0.481 0.346 0.778 0.333 CB 1.122 10 residues pruned to eliminate duplicates Z: 20 13.075 1.749 0.656 0.597 0.842 0.684 CA 1.121 20 residues pruned to eliminate duplicates Z: 14 14.762 1.804 0.331 0.907 1.000 0.923 CA 1.212 14 residues pruned to eliminate duplicates Z: 12 15.809 1.905 0.370 0.874 1.000 0.909 CA 1.328 12 residues pruned to eliminate duplicates Z: 6 4.174 1.490 0.398 0.466 0.800 0.600 CA 1.160 Z: 7 14.317 1.743 0.979 0.807 1.000 0.833 N 1.297 Z: 14 11.241 1.594 0.566 0.816 0.923 0.769 CB 1.028 14 residues pruned to eliminate duplicates Z: 12 20.382 1.688 0.997 0.914 1.000 1.000 CA 1.289 12 residues pruned to eliminate duplicates Z: 14 15.323 1.755 0.624 0.843 0.923 0.846 CB 1.202 14 residues pruned to eliminate duplicates Z: 15 10.210 1.594 0.627 0.704 0.714 0.357 CB 1.223 15 residues pruned to eliminate duplicates Z: 14 12.377 1.883 0.294 0.799 1.000 0.769 CB 1.085 13 residues pruned to eliminate duplicates Z: 9 6.355 1.520 0.819 0.432 0.750 0.750 CB 1.162 9 residues pruned to eliminate duplicates Z: 12 7.575 1.608 0.382 0.518 1.000 0.545 CB 1.009 Z: 6 3.157 1.516 0.359 0.391 0.800 0.600 CB 0.961 Z: 7 3.210 1.574 0.560 0.239 0.667 0.500 CA 1.083 Z: 7 5.012 1.513 0.733 0.338 0.833 0.333 N 1.117 Z: 13 7.614 1.637 0.349 0.598 0.917 0.667 CB 0.989 Z: 10 5.739 1.523 0.996 0.727 0.778 0.778 CB 0.659 10 residues pruned to eliminate duplicates Z: 14 22.561 1.809 1.160 0.911 0.923 0.769 CB 1.230 14 residues pruned to eliminate duplicates Z: 15 10.035 1.488 0.467 0.840 0.929 0.857 CB 0.987 15 residues pruned to eliminate duplicates Z: 15 15.180 1.701 0.712 0.622 1.000 0.786 CA 1.242 15 residues pruned to eliminate duplicates Z: 11 19.666 1.817 0.950 0.835 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 6 3.493 1.433 0.480 0.647 1.000 0.800 CB 0.642 Z: 14 12.677 1.738 0.452 0.724 0.923 0.692 CB 1.233 21 residues pruned to eliminate duplicates Z: 16 14.550 1.570 0.519 0.800 1.000 0.733 CA 1.212 16 residues pruned to eliminate duplicates Z: 7 7.784 1.623 0.504 0.666 1.000 0.667 CA 1.116 Z: 8 5.132 1.739 0.238 0.532 0.857 0.571 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 4.410 1.614 0.265 0.833 1.000 1.000 CB 0.725 Z: 9 7.385 1.610 0.755 0.440 0.875 0.500 N 1.123 24 residues pruned to eliminate duplicates Z: 16 13.566 1.966 0.609 0.476 0.933 0.800 CB 1.215 16 residues pruned to eliminate duplicates Z: 7 2.559 1.295 0.424 0.505 0.833 0.500 N 0.676 Z: 8 3.436 1.394 0.254 0.877 0.714 0.429 CA 0.755 8 residues pruned to eliminate duplicates Z: 6 3.368 1.100 0.762 0.545 1.000 0.600 C 0.744 Z: 6 6.624 1.666 0.582 0.807 1.000 1.000 CB 0.860 7 residues pruned to eliminate duplicates Z: 7 5.871 1.640 0.581 0.694 0.833 0.833 CB 0.929 Z: 7 3.318 1.623 0.198 0.729 0.667 0.333 N 0.851 7 residues pruned to eliminate duplicates Z: 57 28.353 1.754 0.835 0.540 0.929 0.571 CB 1.219 59 residues pruned to eliminate duplicates Z: 10 9.289 1.586 0.713 0.814 1.000 0.778 CB 0.867 11 residues pruned to eliminate duplicates Z: 15 12.194 1.650 0.539 0.721 0.857 0.500 CA 1.226 15 residues pruned to eliminate duplicates Z: 10 6.384 1.679 0.364 0.846 0.889 0.667 CB 0.776 Z: 6 2.727 1.535 0.403 0.462 0.600 0.600 CB 0.981 8 1.263 1.021 0.248 0.315 0.714 0.286 N 0.643 ? Z: 27 13.607 1.624 0.448 0.454 0.962 0.538 N 1.237 27 residues pruned to eliminate duplicates Z: 11 6.534 1.441 0.819 0.535 0.700 0.600 CB 1.087 Z: 14 13.796 1.642 0.741 0.854 0.923 0.923 CB 1.071 14 residues pruned to eliminate duplicates Z: 11 13.064 1.785 0.438 0.794 1.000 0.900 N 1.243 11 residues pruned to eliminate duplicates Z: 13 13.582 1.610 1.080 0.889 0.917 0.583 CB 0.919 18 residues pruned to eliminate duplicates Z: 10 7.859 1.522 0.318 0.782 1.000 0.778 CB 1.018 10 residues pruned to eliminate duplicates Z: 11 7.375 1.648 0.692 0.333 0.800 0.500 CA 1.255 Z: 11 3.653 1.475 0.211 0.412 0.800 0.500 CB 0.886 Z: 18 14.521 1.800 0.664 0.686 1.000 0.706 CA 0.991 18 residues pruned to eliminate duplicates Z: 6 2.974 1.561 0.584 0.488 0.600 0.200 N 0.908 6 residues pruned to eliminate duplicates Z: 8 9.221 1.546 0.533 0.823 1.000 0.571 CB 1.112 8 residues pruned to eliminate duplicates Z: 20 12.171 1.531 0.534 0.781 0.895 0.474 CA 1.037 20 residues pruned to eliminate duplicates Z: 10 8.261 1.607 0.420 0.798 1.000 0.889 CB 0.930 6 residues pruned to eliminate duplicates Z: 8 5.400 1.608 0.429 0.423 0.857 0.571 CB 1.122 6 residues pruned to eliminate duplicates Z: 15 14.823 1.636 0.779 0.892 0.929 0.857 CB 1.053 14 residues pruned to eliminate duplicates Z: 15 12.806 1.722 0.875 0.558 0.714 0.643 N 1.402 14 residues pruned to eliminate duplicates Z: 7 4.675 1.562 0.403 0.483 0.833 0.667 N 1.063 Z: 14 10.688 1.652 0.451 0.817 0.923 0.538 CB 1.017 14 residues pruned to eliminate duplicates Z: 19 11.257 1.631 0.638 0.650 0.833 0.778 CB 1.037 19 residues pruned to eliminate duplicates Z: 7 4.858 1.427 0.030 0.865 1.000 1.000 C 0.989 Z: 6 3.692 1.591 0.819 0.271 0.800 0.600 N 0.925 6 residues pruned to eliminate duplicates Z: 9 3.757 1.362 0.587 0.263 0.750 0.500 N 1.074 Z: 85 35.840 1.772 0.507 0.680 0.976 0.750 CB 1.272 91 residues pruned to eliminate duplicates Z: 10 6.764 1.650 0.373 0.421 0.889 0.667 CB 1.216 Z: 23 8.260 1.456 0.501 0.573 0.909 0.591 CB 0.826 26 residues pruned to eliminate duplicates Z: 22 14.383 1.718 0.630 0.636 0.905 0.714 CB 1.090 22 residues pruned to eliminate duplicates Z: 9 8.297 1.550 0.470 0.875 0.875 0.625 CB 1.070 9 residues pruned to eliminate duplicates Z: 14 10.329 1.624 0.436 0.890 1.000 0.846 CB 0.883 14 residues pruned to eliminate duplicates Z: 9 9.603 1.515 0.923 0.548 1.000 0.750 CB 1.111 6 residues pruned to eliminate duplicates Z: 13 11.481 1.722 0.636 0.568 0.917 0.667 CA 1.201 6 residues pruned to eliminate duplicates Z: 50 20.354 1.660 0.676 0.500 0.898 0.551 CB 1.164 50 residues pruned to eliminate duplicates Z: 9 9.176 1.654 0.689 0.686 1.000 0.875 CA 0.979 Z: 17 20.138 1.693 0.839 0.812 1.000 0.750 CA 1.233 17 residues pruned to eliminate duplicates Z: 8 5.915 1.339 0.671 0.612 0.857 0.714 N 1.048 10 residues pruned to eliminate duplicates Z: 11 6.941 1.611 0.176 0.719 0.800 0.600 CA 1.188 11 residues pruned to eliminate duplicates Z: 14 11.617 1.661 0.808 0.568 0.923 0.692 CB 1.088 14 residues pruned to eliminate duplicates Z: 12 10.378 1.773 0.653 0.639 0.909 0.909 CB 1.031 12 residues pruned to eliminate duplicates Z: 36 16.987 1.660 0.759 0.505 0.829 0.657 CB 1.181 36 residues pruned to eliminate duplicates 7 1.575 1.233 0.161 0.409 0.833 0.333 CB 0.593 ? Z: 10 9.058 1.653 0.512 0.889 1.000 0.889 CB 0.870 10 residues pruned to eliminate duplicates Z: 8 4.032 1.621 0.310 0.423 0.714 0.143 CB 1.089 8 residues pruned to eliminate duplicates Z: 13 13.212 1.580 0.758 0.920 1.000 0.667 CB 0.967 13 residues pruned to eliminate duplicates Z: 14 10.922 1.671 0.330 0.769 1.000 0.769 CB 1.074 14 residues pruned to eliminate duplicates Z: 6 4.197 1.667 -0.074 0.753 1.000 0.600 CB 0.970 Z: 8 5.963 1.753 0.035 0.657 1.000 0.571 CA 1.074 8 residues pruned to eliminate duplicates Z: 10 14.405 1.860 0.355 0.849 1.000 0.889 CA 1.411 10 residues pruned to eliminate duplicates Z: 33 16.953 1.790 0.544 0.521 0.875 0.594 CA 1.213 33 residues pruned to eliminate duplicates Z: 11 14.883 1.935 0.446 0.929 1.000 1.000 CB 1.177 11 residues pruned to eliminate duplicates Z: 6 2.053 1.534 -0.035 0.341 0.800 0.600 O 0.922 6 residues pruned to eliminate duplicates Z: 8 6.094 1.551 0.492 0.464 0.857 0.714 N 1.204 6 residues pruned to eliminate duplicates Z: 13 11.200 1.535 0.821 0.872 0.917 0.667 CB 0.920 13 residues pruned to eliminate duplicates Z: 9 4.162 1.539 -0.052 0.648 0.875 0.750 CB 1.004 Z: 7 4.887 1.650 0.332 0.451 0.833 0.500 CB 1.145 Z: 12 16.170 1.771 0.841 0.845 1.000 1.000 CB 1.112 12 residues pruned to eliminate duplicates Z: 10 6.938 1.574 0.346 0.453 0.889 0.667 CB 1.289 20 residues pruned to eliminate duplicates Z: 14 19.188 1.826 0.778 0.765 0.923 0.769 N 1.404 14 residues pruned to eliminate duplicates Z: 9 2.412 1.516 0.041 0.308 0.750 0.625 CB 0.892 Z: 44 19.077 1.656 0.622 0.524 0.860 0.512 CB 1.229 44 residues pruned to eliminate duplicates Z: 13 11.687 1.676 0.423 0.893 1.000 0.917 CB 1.016 13 residues pruned to eliminate duplicates Z: 13 5.286 1.486 0.548 0.494 0.750 0.667 N 0.890 13 residues pruned to eliminate duplicates Z: 9 4.852 1.506 0.416 0.533 0.875 0.625 CB 0.889 Z: 24 13.458 1.767 0.557 0.556 0.826 0.696 CA 1.169 24 residues pruned to eliminate duplicates Z: 17 11.167 1.631 0.686 0.592 0.812 0.750 CB 1.144 17 residues pruned to eliminate duplicates Z: 8 3.901 1.378 0.418 0.322 1.000 0.571 CB 0.918 Z: 13 12.925 1.560 0.769 0.893 0.917 0.500 CB 1.058 13 residues pruned to eliminate duplicates Z: 13 17.036 1.716 0.784 0.715 1.000 0.750 CA 1.322 12 residues pruned to eliminate duplicates 6 1.004 1.382 0.169 0.451 0.800 0.600 CB 0.365 ? Z: 26 14.107 1.741 0.597 0.512 0.880 0.640 CA 1.139 24 residues pruned to eliminate duplicates Z: 8 2.981 1.475 0.257 0.478 0.857 0.429 CB 0.725 Z: 13 13.244 1.847 0.692 0.714 0.750 0.750 CB 1.343 13 residues pruned to eliminate duplicates Z: 9 8.137 1.512 0.398 0.874 1.000 0.625 CB 0.991 9 residues pruned to eliminate duplicates Z: 14 14.446 1.815 0.358 0.826 1.000 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 8 3.829 1.313 0.201 0.731 0.857 0.714 N 0.870 8 residues pruned to eliminate duplicates Z: 7 7.223 1.549 0.266 0.674 1.000 0.833 CB 1.280 9 residues pruned to eliminate duplicates Z: 12 9.749 1.718 0.146 0.863 1.000 0.636 CA 1.096 12 residues pruned to eliminate duplicates Z: 12 11.465 1.865 0.625 0.555 1.000 0.909 CB 1.081 12 residues pruned to eliminate duplicates Z: 28 17.564 1.730 0.448 0.652 1.000 0.704 CB 1.171 28 residues pruned to eliminate duplicates Z: 13 8.071 1.690 0.529 0.450 0.917 0.750 CA 1.035 13 residues pruned to eliminate duplicates Z: 14 13.532 1.723 0.483 0.886 1.000 0.923 CB 1.060 14 residues pruned to eliminate duplicates Z: 15 23.584 1.769 0.927 0.929 1.000 0.857 CA 1.293 15 residues pruned to eliminate duplicates Z: 9 11.962 1.488 0.801 0.890 1.000 0.750 N 1.136 9 residues pruned to eliminate duplicates Z: 14 19.041 1.809 0.432 0.928 1.000 0.923 CA 1.428 14 residues pruned to eliminate duplicates Z: 15 11.417 1.525 0.805 0.854 0.929 0.643 CB 0.882 15 residues pruned to eliminate duplicates Z: 14 25.988 1.796 0.931 0.933 1.000 1.000 CA 1.451 14 residues pruned to eliminate duplicates Z: 10 8.361 1.475 0.900 0.755 0.778 0.667 CA 1.019 11 residues pruned to eliminate duplicates Z: 15 10.406 1.632 0.432 0.808 0.929 0.571 CB 0.980 8 residues pruned to eliminate duplicates Z: 7 2.411 1.405 0.107 0.268 0.833 0.333 N 0.988 Z: 7 5.934 1.483 0.557 0.587 0.833 0.667 N 1.158 6 residues pruned to eliminate duplicates Z: 9 3.625 1.466 0.745 0.361 0.750 0.500 CB 0.775 Z: 9 3.103 1.362 0.467 0.201 0.750 0.375 CB 1.046 Z: 17 10.523 1.715 0.609 0.470 0.875 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 13 14.123 1.734 0.469 0.824 1.000 0.917 CB 1.209 13 residues pruned to eliminate duplicates Z: 12 6.755 1.623 0.198 0.617 0.909 0.909 CB 1.031 12 residues pruned to eliminate duplicates Z: 10 6.084 1.611 0.644 0.360 0.778 0.333 CB 1.145 22 residues pruned to eliminate duplicates Z: 10 4.470 1.383 0.403 0.285 0.889 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 6 2.061 1.128 0.139 0.608 0.800 0.600 N 0.809 Z: 16 16.528 1.714 0.715 0.780 1.000 0.733 CA 1.134 16 residues pruned to eliminate duplicates Z: 15 14.437 1.575 0.833 0.876 1.000 0.857 CB 0.972 15 residues pruned to eliminate duplicates Z: 9 4.350 1.547 -0.004 0.446 1.000 0.625 CB 1.055 Z: 41 20.289 1.726 0.543 0.612 0.950 0.675 CB 1.141 41 residues pruned to eliminate duplicates Z: 8 3.910 1.477 0.712 0.514 0.857 0.571 CB 0.672 9 residues pruned to eliminate duplicates Z: 29 12.079 1.695 0.467 0.502 0.893 0.643 CA 1.026 29 residues pruned to eliminate duplicates Z: 16 12.549 1.676 0.824 0.762 0.733 0.533 CA 1.146 16 residues pruned to eliminate duplicates Z: 9 9.811 1.637 0.334 0.845 1.000 0.750 CB 1.181 21 residues pruned to eliminate duplicates Z: 6 4.283 1.397 0.850 0.727 1.000 0.800 CB 0.604 Z: 6 2.634 1.439 0.352 0.574 0.800 0.600 CB 0.704 Z: 15 11.476 1.565 0.696 0.750 0.857 0.571 CB 1.078 15 residues pruned to eliminate duplicates Z: 7 4.325 1.497 0.443 0.593 0.833 0.500 CB 0.898 Z: 10 11.766 1.656 0.672 0.742 0.889 0.778 CA 1.283 10 residues pruned to eliminate duplicates Z: 7 7.758 1.654 0.622 0.866 1.000 0.667 CB 0.864 4 residues pruned to eliminate duplicates Z: 17 13.263 1.699 0.949 0.430 0.938 0.438 CB 1.148 17 residues pruned to eliminate duplicates Z: 13 14.162 1.545 1.428 0.835 1.000 0.500 CB 0.817 14 residues pruned to eliminate duplicates Z: 10 15.077 1.713 0.954 0.883 0.889 0.889 CA 1.221 10 residues pruned to eliminate duplicates Z: 14 13.496 1.785 0.507 0.901 1.000 0.846 CB 0.993 14 residues pruned to eliminate duplicates Z: 9 6.547 1.605 0.755 0.413 0.875 0.500 CB 1.029 Z: 8 9.515 1.424 1.144 0.880 1.000 0.714 CB 0.853 Z: 7 5.863 1.631 0.572 0.862 1.000 0.833 CB 0.685 7 residues pruned to eliminate duplicates Z: 24 11.088 1.603 0.489 0.521 0.870 0.522 CB 1.090 24 residues pruned to eliminate duplicates Z: 12 10.747 1.549 0.449 0.892 1.000 0.636 CB 1.037 9 residues pruned to eliminate duplicates 9 1.689 1.126 0.636 0.317 0.750 0.375 CB 0.529 ? Z: 7 6.832 1.464 0.759 0.804 0.833 0.833 CB 0.997 7 residues pruned to eliminate duplicates 6 1.612 1.587 -0.117 0.507 0.800 0.600 CB 0.638 ? Z: 7 9.539 1.601 0.695 0.808 0.833 0.167 N 1.317 7 residues pruned to eliminate duplicates Z: 7 5.534 1.557 0.336 0.573 1.000 0.333 C 1.012 3 residues pruned to eliminate duplicates Z: 7 4.485 1.703 0.315 0.835 1.000 0.833 CB 0.613 7 residues pruned to eliminate duplicates Z: 12 15.989 1.712 0.570 0.908 1.000 0.909 CB 1.273 12 residues pruned to eliminate duplicates Z: 11 18.219 1.838 0.691 0.888 1.000 0.800 CA 1.335 11 residues pruned to eliminate duplicates Z: 6 2.205 1.448 0.359 0.299 0.600 0.400 CA 1.045 Z: 13 14.626 1.835 0.807 0.762 0.917 0.750 CB 1.101 13 residues pruned to eliminate duplicates Z: 14 2.654 1.425 0.431 0.230 0.692 0.462 CB 0.714 14 residues pruned to eliminate duplicates Z: 10 8.515 1.670 0.363 0.892 0.889 0.778 CA 1.008 10 residues pruned to eliminate duplicates Z: 10 4.619 1.609 0.401 0.823 1.000 0.889 CB 0.516 Z: 18 15.660 1.598 0.597 0.583 1.000 0.765 CB 1.374 16 residues pruned to eliminate duplicates Z: 15 8.405 1.869 0.625 0.388 0.929 0.714 CA 0.897 15 residues pruned to eliminate duplicates Z: 6 5.595 1.432 0.385 0.743 1.000 1.000 N 1.015 Z: 6 9.932 1.689 0.810 0.681 1.000 0.800 CA 1.231 6 residues pruned to eliminate duplicates Z: 11 17.572 1.658 1.086 0.786 1.000 0.900 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 16.941 1.778 0.744 0.830 1.000 0.818 CB 1.238 12 residues pruned to eliminate duplicates Z: 9 5.865 1.694 0.345 0.380 0.875 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 7 2.289 1.655 -0.138 0.227 0.667 0.667 O 1.350 Z: 7 7.370 1.686 0.457 0.753 1.000 0.833 CB 0.978 7 residues pruned to eliminate duplicates Z: 16 11.902 1.701 0.437 0.558 0.867 0.600 CB 1.372 16 residues pruned to eliminate duplicates Z: 11 3.633 1.065 0.903 0.408 0.800 0.600 N 0.780 Z: 14 11.222 1.661 0.276 0.873 1.000 0.846 CB 1.070 14 residues pruned to eliminate duplicates Z: 9 5.311 1.462 0.430 0.767 0.875 0.625 CB 0.810 8 residues pruned to eliminate duplicates Z: 8 2.948 1.429 0.628 0.299 0.714 0.286 N 0.839 Z: 14 16.495 1.663 0.847 0.869 0.923 0.692 CB 1.179 14 residues pruned to eliminate duplicates Z: 15 13.878 1.612 0.540 0.806 0.857 0.571 N 1.334 15 residues pruned to eliminate duplicates Z: 11 8.572 1.670 0.525 0.419 1.000 0.600 CA 1.159 11 residues pruned to eliminate duplicates Z: 7 3.942 1.443 0.429 0.394 1.000 0.333 CB 0.874 Z: 7 4.101 1.272 0.407 0.522 1.000 0.500 N 0.914 Z: 11 4.323 1.169 0.517 0.414 0.900 0.300 O 0.938 Z: 8 4.997 1.519 -0.067 0.666 1.000 0.857 CB 1.143 Z: 12 4.334 1.377 0.384 0.460 0.727 0.455 CB 0.982 Z: 11 8.408 1.521 0.387 0.784 0.800 0.600 CB 1.227 11 residues pruned to eliminate duplicates Z: 16 4.497 1.475 0.457 0.398 0.733 0.467 CB 0.821 Z: 9 8.602 1.703 0.374 0.673 1.000 0.625 N 1.108 9 residues pruned to eliminate duplicates Z: 19 11.439 1.726 0.672 0.505 0.889 0.500 CB 1.046 19 residues pruned to eliminate duplicates Z: 13 14.131 1.681 0.481 0.869 1.000 0.917 CB 1.197 12 residues pruned to eliminate duplicates Z: 11 5.301 1.645 0.427 0.343 0.800 0.700 CB 1.058 Z: 43 24.617 1.779 0.549 0.626 0.952 0.619 CB 1.285 43 residues pruned to eliminate duplicates Z: 12 16.167 1.698 0.906 0.783 0.909 0.727 CA 1.291 12 residues pruned to eliminate duplicates Z: 14 8.391 1.669 0.664 0.343 0.923 0.462 CB 1.076 14 residues pruned to eliminate duplicates Z: 12 11.513 1.552 0.850 0.698 0.909 0.818 CB 1.110 12 residues pruned to eliminate duplicates Z: 11 11.452 1.672 0.481 0.807 0.900 0.800 CB 1.243 11 residues pruned to eliminate duplicates Z: 6 3.265 1.442 0.517 0.658 1.000 0.800 CB 0.576 Z: 8 7.313 1.614 0.362 0.569 1.000 0.571 N 1.176 8 residues pruned to eliminate duplicates Z: 11 14.548 1.909 0.392 0.888 1.000 0.900 CB 1.247 11 residues pruned to eliminate duplicates Z: 15 10.912 1.525 0.600 0.787 0.786 0.429 CB 1.182 15 residues pruned to eliminate duplicates Z: 23 18.212 1.755 0.648 0.548 0.955 0.636 CB 1.341 27 residues pruned to eliminate duplicates Z: 16 14.393 1.591 0.612 0.796 0.800 0.533 CA 1.397 16 residues pruned to eliminate duplicates Z: 11 10.245 1.687 0.244 0.874 1.000 1.000 CA 1.123 11 residues pruned to eliminate duplicates Z: 19 7.083 1.451 0.483 0.473 0.889 0.722 CB 0.897 6 residues pruned to eliminate duplicates Z: 25 23.314 1.868 0.723 0.657 1.000 0.792 CB 1.278 25 residues pruned to eliminate duplicates Z: 18 14.017 1.666 0.636 0.564 0.941 0.647 CA 1.246 18 residues pruned to eliminate duplicates Z: 10 6.786 1.586 0.353 0.850 0.778 0.778 CB 1.004 10 residues pruned to eliminate duplicates Z: 11 17.426 1.658 0.742 0.887 1.000 0.900 CA 1.376 11 residues pruned to eliminate duplicates Z: 6 5.540 1.429 0.986 0.874 1.000 0.800 CB 0.635 6 residues pruned to eliminate duplicates 6 1.237 1.517 -0.203 0.299 0.600 0.400 CB 0.954 ? Z: 6 2.958 1.520 0.253 0.370 0.800 0.600 CA 0.998 Z: 14 9.271 1.578 0.735 0.566 0.846 0.615 CB 1.041 14 residues pruned to eliminate duplicates Z: 14 12.275 1.691 0.600 0.867 0.846 0.462 CB 1.088 14 residues pruned to eliminate duplicates Z: 24 10.477 1.706 0.472 0.460 0.826 0.609 CB 1.097 24 residues pruned to eliminate duplicates Z: 9 7.286 1.322 0.280 0.857 1.000 0.875 N 1.121 9 residues pruned to eliminate duplicates Z: 9 2.701 1.476 0.393 0.294 0.875 0.500 CA 0.668 6 residues pruned to eliminate duplicates Z: 9 7.564 1.391 0.529 0.791 0.875 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 13 9.152 1.635 0.468 0.627 1.000 0.500 CA 0.977 13 residues pruned to eliminate duplicates Z: 10 7.402 1.594 0.631 0.526 0.778 0.667 N 1.190 Z: 9 2.499 1.415 0.484 0.166 0.625 0.375 C 1.010 Z: 12 5.662 1.384 0.301 0.625 0.909 0.364 N 0.927 16 residues pruned to eliminate duplicates Z: 20 14.177 1.761 0.434 0.446 0.947 0.684 CA 1.437 20 residues pruned to eliminate duplicates Z: 21 12.825 1.703 0.411 0.510 0.950 0.600 CB 1.243 20 residues pruned to eliminate duplicates Z: 10 12.959 1.433 0.898 0.872 1.000 0.889 CB 1.158 10 residues pruned to eliminate duplicates Z: 10 8.345 1.580 0.362 0.848 0.889 0.556 CB 1.079 9 residues pruned to eliminate duplicates Z: 14 17.422 1.910 0.744 0.626 0.923 0.769 CA 1.395 14 residues pruned to eliminate duplicates Z: 8 7.152 1.616 0.260 0.634 0.857 0.714 N 1.366 7 residues pruned to eliminate duplicates Z: 7 4.667 1.345 0.485 0.690 0.833 0.500 CB 0.961 Z: 7 2.304 1.257 0.425 0.423 0.833 0.667 CB 0.683 Using tripeptides from previous cycle as seeds Z: 14 18.890 1.907 0.637 0.761 1.000 0.692 CA 1.331 14 residues pruned to eliminate duplicates Z: 14 19.745 1.887 0.792 0.745 1.000 0.692 CA 1.301 14 residues pruned to eliminate duplicates Z: 15 21.744 1.861 1.011 0.649 1.000 0.714 CA 1.352 15 residues pruned to eliminate duplicates Z: 14 20.536 1.882 0.965 0.702 0.846 0.692 CB 1.513 14 residues pruned to eliminate duplicates Z: 15 13.339 1.806 0.726 0.647 0.929 0.500 CB 1.073 15 residues pruned to eliminate duplicates Z: 16 17.786 1.764 0.940 0.635 0.933 0.667 CA 1.267 16 residues pruned to eliminate duplicates Z: 13 25.730 1.960 1.078 0.757 1.000 0.750 CA 1.451 13 residues pruned to eliminate duplicates Z: 19 18.167 1.846 0.790 0.661 0.833 0.833 CB 1.340 19 residues pruned to eliminate duplicates Z: 21 20.060 1.782 0.780 0.688 0.900 0.750 CB 1.322 21 residues pruned to eliminate duplicates Z: 14 19.090 1.897 0.807 0.780 1.000 0.692 CA 1.207 14 residues pruned to eliminate duplicates Z: 27 17.071 1.743 0.718 0.589 0.885 0.577 CB 1.161 27 residues pruned to eliminate duplicates Z: 21 21.378 1.811 0.926 0.677 0.950 0.450 CA 1.226 23 residues pruned to eliminate duplicates Z: 14 19.698 1.895 0.956 0.737 1.000 0.769 CA 1.191 14 residues pruned to eliminate duplicates Z: 6 5.579 1.500 0.350 0.804 0.800 0.800 CA 1.181 6 residues pruned to eliminate duplicates Z: 9 4.510 1.554 0.260 0.329 1.000 0.375 CB 0.982 Z: 8 7.998 1.419 0.731 0.749 1.000 0.429 CA 0.985 14 residues pruned to eliminate duplicates Z: 10 11.265 1.598 0.747 0.728 0.889 0.333 CB 1.232 11 residues pruned to eliminate duplicates Z: 7 7.855 1.503 0.539 0.815 0.833 0.500 CB 1.265 7 residues pruned to eliminate duplicates Z: 15 6.192 1.430 0.561 0.370 0.929 0.286 N 0.918 15 residues pruned to eliminate duplicates Z: 17 10.200 1.741 0.474 0.384 0.938 0.500 CB 1.200 17 residues pruned to eliminate duplicates Z: 18 11.505 1.774 0.501 0.465 0.941 0.706 CB 1.154 13 residues pruned to eliminate duplicates Z: 6 2.475 1.593 0.397 0.288 0.800 0.800 CA 0.789 6 residues pruned to eliminate duplicates Z: 21 15.032 1.716 0.614 0.487 0.950 0.800 CB 1.295 20 residues pruned to eliminate duplicates Z: 7 4.655 1.386 0.736 0.534 1.000 0.667 CA 0.764 7 residues pruned to eliminate duplicates Z: 17 12.608 1.812 0.581 0.448 0.875 0.625 CA 1.326 17 residues pruned to eliminate duplicates Z: 7 2.330 1.395 0.379 0.207 0.833 0.667 O 0.840 6 residues pruned to eliminate duplicates Z: 6 2.830 1.554 0.516 0.284 0.800 0.400 N 0.856 Z: 6 7.323 1.607 0.693 0.409 1.000 0.600 CB 1.325 6 residues pruned to eliminate duplicates Z: 17 14.298 1.645 0.973 0.473 0.875 0.625 CB 1.293 23 residues pruned to eliminate duplicates Z: 16 10.992 1.859 0.442 0.387 0.867 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 17 17.032 1.817 0.689 0.482 1.000 0.625 CB 1.414 19 residues pruned to eliminate duplicates Z: 7 7.180 1.688 0.132 0.817 1.000 0.667 CB 1.165 7 residues pruned to eliminate duplicates Z: 23 16.258 1.784 0.471 0.605 0.909 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 33 19.103 1.754 0.538 0.659 0.938 0.812 CB 1.152 33 residues pruned to eliminate duplicates Z: 9 6.116 1.572 -0.224 0.801 1.000 0.625 CA 1.363 9 residues pruned to eliminate duplicates Z: 15 8.320 1.552 0.436 0.538 0.929 0.500 CB 1.035 15 residues pruned to eliminate duplicates Z: 34 20.112 1.733 0.643 0.611 0.970 0.636 CB 1.141 34 residues pruned to eliminate duplicates Z: 42 24.483 1.764 0.651 0.598 0.951 0.610 CB 1.257 42 residues pruned to eliminate duplicates Z: 23 15.667 1.711 0.624 0.693 0.909 0.773 CB 1.109 23 residues pruned to eliminate duplicates Z: 21 14.682 1.673 0.552 0.731 0.950 0.900 CB 1.080 21 residues pruned to eliminate duplicates Z: 22 19.140 1.697 0.691 0.759 1.000 0.857 CB 1.156 22 residues pruned to eliminate duplicates Z: 21 10.862 1.610 0.536 0.596 0.850 0.650 N 1.055 21 residues pruned to eliminate duplicates Z: 16 12.004 1.647 0.579 0.592 0.933 0.733 CB 1.170 16 residues pruned to eliminate duplicates Z: 12 8.735 1.698 0.348 0.515 1.000 0.818 CB 1.134 12 residues pruned to eliminate duplicates Z: 40 19.158 1.721 0.623 0.510 0.949 0.590 CB 1.146 40 residues pruned to eliminate duplicates Z: 21 13.772 1.699 0.539 0.705 0.900 0.650 CB 1.086 21 residues pruned to eliminate duplicates Z: 21 15.809 1.736 0.575 0.694 1.000 0.800 CB 1.083 21 residues pruned to eliminate duplicates Z: 13 8.888 1.805 0.436 0.571 0.917 0.750 CB 1.008 13 residues pruned to eliminate duplicates Z: 21 16.131 1.737 0.674 0.696 0.950 0.750 CB 1.091 21 residues pruned to eliminate duplicates Z: 24 19.085 1.749 0.534 0.718 1.000 0.783 CB 1.217 24 residues pruned to eliminate duplicates Z: 45 28.635 1.774 0.624 0.638 1.000 0.591 CB 1.317 54 residues pruned to eliminate duplicates Z: 17 12.037 1.593 0.567 0.756 0.812 0.312 CA 1.181 17 residues pruned to eliminate duplicates Z: 44 29.067 1.780 0.693 0.630 1.000 0.721 CA 1.302 44 residues pruned to eliminate duplicates Z: 16 12.093 1.630 0.518 0.782 0.867 0.667 CA 1.135 16 residues pruned to eliminate duplicates Z: 45 27.254 1.786 0.666 0.616 0.977 0.545 CB 1.266 45 residues pruned to eliminate duplicates Z: 17 15.986 1.620 0.730 0.743 0.938 0.438 CB 1.224 17 residues pruned to eliminate duplicates Z: 36 19.442 1.753 0.632 0.496 0.914 0.543 CB 1.262 36 residues pruned to eliminate duplicates Z: 47 25.932 1.730 0.583 0.626 0.978 0.652 CB 1.267 45 residues pruned to eliminate duplicates Z: 18 15.226 1.713 0.663 0.696 0.882 0.529 CA 1.229 18 residues pruned to eliminate duplicates Z: 45 26.020 1.777 0.558 0.643 0.977 0.705 CB 1.268 45 residues pruned to eliminate duplicates Z: 44 20.334 1.721 0.613 0.546 0.884 0.628 CB 1.209 44 residues pruned to eliminate duplicates Z: 44 25.840 1.780 0.675 0.615 0.953 0.698 CB 1.244 44 residues pruned to eliminate duplicates Z: 43 25.687 1.796 0.673 0.612 0.929 0.643 CB 1.277 43 residues pruned to eliminate duplicates Z: 56 29.761 1.792 0.727 0.623 0.927 0.691 CB 1.245 56 residues pruned to eliminate duplicates Z: 45 24.318 1.776 0.610 0.602 0.955 0.682 CB 1.219 45 residues pruned to eliminate duplicates Z: 43 23.797 1.782 0.496 0.609 0.952 0.690 CA 1.304 43 residues pruned to eliminate duplicates Z: 19 10.129 1.674 0.491 0.439 0.944 0.556 CB 1.079 19 residues pruned to eliminate duplicates Z: 44 25.223 1.782 0.604 0.609 0.977 0.698 CB 1.242 44 residues pruned to eliminate duplicates Z: 46 21.725 1.721 0.584 0.585 0.956 0.622 CB 1.146 46 residues pruned to eliminate duplicates Z: 45 24.151 1.734 0.671 0.593 0.955 0.636 CA 1.204 45 residues pruned to eliminate duplicates Z: 44 25.788 1.762 0.669 0.615 0.977 0.651 CA 1.228 44 residues pruned to eliminate duplicates Z: 48 23.665 1.732 0.697 0.577 0.894 0.617 CB 1.220 48 residues pruned to eliminate duplicates Z: 28 16.433 1.730 0.625 0.513 0.926 0.630 CA 1.199 28 residues pruned to eliminate duplicates Z: 43 23.305 1.774 0.640 0.556 0.929 0.452 CA 1.261 43 residues pruned to eliminate duplicates Z: 8 5.457 1.637 0.548 0.493 1.000 0.571 CA 0.820 Z: 6 4.051 1.461 0.988 0.356 1.000 0.800 CA 0.728 6 residues pruned to eliminate duplicates Z: 7 7.098 1.536 0.998 0.478 0.833 0.667 C 1.158 7 residues pruned to eliminate duplicates Z: 8 6.418 1.691 1.165 0.242 0.857 0.429 CA 1.042 8 residues pruned to eliminate duplicates Z: 9 4.584 1.560 0.661 0.269 0.750 0.125 CB 1.085 Z: 6 4.173 1.413 0.899 0.282 0.800 0.400 CA 1.111 Z: 6 2.913 1.298 0.749 0.351 0.800 0.600 N 0.843 Z: 12 10.775 1.712 0.421 0.733 1.000 0.909 CB 1.084 12 residues pruned to eliminate duplicates Z: 32 16.021 1.769 0.698 0.521 0.903 0.742 CA 1.039 32 residues pruned to eliminate duplicates Z: 26 16.442 1.734 0.595 0.580 1.000 0.760 CA 1.101 26 residues pruned to eliminate duplicates Z: 24 15.202 1.760 0.677 0.634 0.957 0.826 CA 0.991 24 residues pruned to eliminate duplicates Z: 7 7.309 1.762 0.535 0.765 1.000 0.833 CB 0.872 7 residues pruned to eliminate duplicates Z: 24 15.929 1.749 0.603 0.595 1.000 0.783 CA 1.082 24 residues pruned to eliminate duplicates Z: 28 17.634 1.822 0.767 0.499 0.963 0.741 CA 1.096 28 residues pruned to eliminate duplicates Z: 13 11.939 1.744 0.381 0.688 1.000 0.667 CB 1.205 13 residues pruned to eliminate duplicates Z: 65 33.259 1.792 0.734 0.593 0.969 0.766 CB 1.263 83 residues pruned to eliminate duplicates Z: 12 13.386 1.714 0.648 0.877 1.000 0.818 CB 1.038 12 residues pruned to eliminate duplicates Z: 13 7.556 1.641 0.422 0.661 0.917 0.583 CB 0.878 13 residues pruned to eliminate duplicates Z: 7 5.106 1.549 0.984 0.554 1.000 0.667 CB 0.644 7 residues pruned to eliminate duplicates Z: 15 10.566 1.640 0.408 0.701 0.929 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 16 14.462 1.713 0.810 0.638 0.933 0.800 CB 1.134 16 residues pruned to eliminate duplicates Z: 28 13.906 1.721 0.378 0.621 0.963 0.704 CB 1.046 28 residues pruned to eliminate duplicates Z: 43 20.093 1.751 0.781 0.505 0.905 0.619 CB 1.093 43 residues pruned to eliminate duplicates Z: 17 11.841 1.721 0.406 0.689 0.938 0.625 CB 1.097 17 residues pruned to eliminate duplicates Z: 20 15.094 1.737 0.536 0.653 0.947 0.579 CB 1.188 20 residues pruned to eliminate duplicates Z: 31 25.844 1.831 0.609 0.603 1.000 0.667 CB 1.451 31 residues pruned to eliminate duplicates Z: 31 23.088 1.834 0.539 0.611 0.967 0.633 CA 1.391 31 residues pruned to eliminate duplicates Z: 21 10.017 1.578 0.460 0.599 0.850 0.550 CB 1.040 21 residues pruned to eliminate duplicates Z: 16 13.114 1.767 0.451 0.667 0.933 0.600 CB 1.212 16 residues pruned to eliminate duplicates Z: 18 13.040 1.718 0.572 0.653 0.824 0.471 CB 1.233 18 residues pruned to eliminate duplicates Z: 21 13.728 1.767 0.431 0.694 1.000 0.700 CB 1.017 21 residues pruned to eliminate duplicates Z: 18 14.032 1.698 0.469 0.654 1.000 0.471 CB 1.182 18 residues pruned to eliminate duplicates Z: 35 22.659 1.755 0.620 0.576 0.941 0.588 CB 1.349 35 residues pruned to eliminate duplicates Z: 39 24.163 1.795 0.594 0.586 1.000 0.711 CB 1.261 39 residues pruned to eliminate duplicates Z: 26 17.991 1.794 0.485 0.559 0.960 0.600 CB 1.329 26 residues pruned to eliminate duplicates Z: 24 19.869 1.858 0.634 0.506 0.957 0.652 CB 1.419 24 residues pruned to eliminate duplicates Z: 28 18.868 1.793 0.652 0.486 0.889 0.741 CB 1.399 28 residues pruned to eliminate duplicates Z: 39 28.718 1.803 0.703 0.599 1.000 0.789 CB 1.380 39 residues pruned to eliminate duplicates Z: 46 26.701 1.774 0.665 0.555 0.933 0.711 CB 1.369 46 residues pruned to eliminate duplicates Z: 6 3.410 1.506 0.513 0.244 0.800 0.200 CB 1.124 6 residues pruned to eliminate duplicates Z: 31 25.438 1.870 0.604 0.613 0.967 0.567 CA 1.439 31 residues pruned to eliminate duplicates Z: 35 16.172 1.708 0.611 0.435 0.882 0.441 CB 1.222 35 residues pruned to eliminate duplicates Z: 33 23.887 1.791 0.670 0.619 0.969 0.719 CA 1.302 33 residues pruned to eliminate duplicates Z: 39 22.311 1.751 0.656 0.505 0.921 0.553 CB 1.348 39 residues pruned to eliminate duplicates Z: 32 24.075 1.810 0.714 0.559 0.935 0.613 CB 1.407 31 residues pruned to eliminate duplicates Z: 6 4.205 1.753 -0.021 0.595 1.000 0.600 CA 1.000 6 residues pruned to eliminate duplicates Z: 36 23.693 1.775 0.619 0.584 0.943 0.600 CA 1.363 36 residues pruned to eliminate duplicates Z: 31 26.079 1.850 0.641 0.637 1.000 0.700 CA 1.379 31 residues pruned to eliminate duplicates Z: 32 22.771 1.833 0.600 0.567 0.935 0.710 CB 1.397 32 residues pruned to eliminate duplicates Z: 41 25.381 1.761 0.647 0.558 0.975 0.675 CB 1.342 41 residues pruned to eliminate duplicates Z: 36 23.883 1.757 0.685 0.558 0.971 0.714 CB 1.326 36 residues pruned to eliminate duplicates Z: 32 24.486 1.842 0.721 0.594 0.935 0.613 CA 1.356 32 residues pruned to eliminate duplicates Z: 36 22.537 1.776 0.699 0.522 0.943 0.629 CB 1.309 36 residues pruned to eliminate duplicates Z: 17 12.006 1.836 0.599 0.513 0.875 0.438 CB 1.154 17 residues pruned to eliminate duplicates Z: 11 9.921 1.890 0.752 0.590 0.800 0.600 CB 1.087 11 residues pruned to eliminate duplicates Z: 12 8.397 1.807 0.752 0.490 0.818 0.364 CB 0.987 12 residues pruned to eliminate duplicates Z: 15 11.360 1.752 0.454 0.698 1.000 0.571 CB 0.995 15 residues pruned to eliminate duplicates Z: 11 14.128 1.855 0.638 0.596 1.000 0.600 CB 1.342 10 residues pruned to eliminate duplicates Z: 12 18.524 1.845 0.744 0.866 1.000 0.909 CB 1.271 12 residues pruned to eliminate duplicates Z: 13 15.908 1.846 1.003 0.751 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 17 11.594 1.774 0.749 0.563 0.812 0.375 CB 1.081 17 residues pruned to eliminate duplicates Z: 24 17.286 1.804 0.612 0.653 0.957 0.522 CB 1.124 23 residues pruned to eliminate duplicates Z: 22 20.624 1.750 0.909 0.765 0.952 0.524 CB 1.118 22 residues pruned to eliminate duplicates Z: 26 18.129 1.676 0.901 0.737 0.880 0.600 CB 1.045 26 residues pruned to eliminate duplicates Z: 16 11.023 1.718 0.892 0.494 0.733 0.400 CB 1.201 16 residues pruned to eliminate duplicates Z: 32 17.778 1.824 1.039 0.443 0.774 0.581 CB 1.176 34 residues pruned to eliminate duplicates Z: 11 9.373 1.648 0.793 0.711 0.900 0.600 CB 0.920 11 residues pruned to eliminate duplicates Z: 19 19.486 1.871 0.773 0.692 1.000 0.611 CB 1.162 19 residues pruned to eliminate duplicates Z: 8 7.557 1.694 0.466 0.735 0.857 0.714 CA 1.086 8 residues pruned to eliminate duplicates Z: 7 6.088 1.760 0.419 0.639 0.833 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 52 30.449 1.848 0.565 0.621 0.961 0.725 CB 1.368 52 residues pruned to eliminate duplicates Z: 8 10.687 1.866 0.749 0.457 1.000 0.714 N 1.292 Z: 6 5.298 1.471 0.637 0.600 1.000 0.800 CA 0.895 6 residues pruned to eliminate duplicates Z: 8 4.738 1.767 0.594 0.287 0.714 0.429 CA 1.131 8 residues pruned to eliminate duplicates Z: 11 8.259 1.733 0.716 0.315 0.900 0.400 N 1.197 11 residues pruned to eliminate duplicates Z: 23 12.574 1.802 0.497 0.394 0.909 0.500 CB 1.222 31 residues pruned to eliminate duplicates Z: 18 16.007 1.978 0.677 0.497 0.941 0.765 CB 1.248 18 residues pruned to eliminate duplicates Z: 22 14.608 1.911 0.643 0.449 0.952 0.714 CB 1.124 22 residues pruned to eliminate duplicates Z: 30 15.810 1.828 0.477 0.455 0.897 0.690 CB 1.270 30 residues pruned to eliminate duplicates Z: 18 15.605 1.961 0.685 0.495 0.941 0.706 CB 1.223 18 residues pruned to eliminate duplicates Z: 30 15.961 1.814 0.613 0.421 0.897 0.586 CB 1.227 30 residues pruned to eliminate duplicates Z: 26 12.336 1.789 0.377 0.416 0.880 0.600 CB 1.242 26 residues pruned to eliminate duplicates Z: 50 24.251 1.808 0.521 0.550 0.939 0.735 CA 1.278 50 residues pruned to eliminate duplicates Z: 24 15.741 1.839 0.706 0.437 0.913 0.522 CB 1.222 24 residues pruned to eliminate duplicates Z: 14 13.564 1.751 0.691 0.563 0.923 0.846 N 1.295 14 residues pruned to eliminate duplicates Z: 14 13.051 1.789 0.728 0.461 0.923 0.769 N 1.320 14 residues pruned to eliminate duplicates Z: 43 29.107 1.865 0.463 0.675 1.000 0.690 CB 1.400 43 residues pruned to eliminate duplicates Z: 35 22.699 1.888 0.672 0.542 0.912 0.706 CB 1.298 35 residues pruned to eliminate duplicates Z: 39 27.920 1.896 0.648 0.615 0.974 0.816 CB 1.335 39 residues pruned to eliminate duplicates Z: 42 25.452 1.838 0.543 0.628 0.902 0.756 CB 1.377 42 residues pruned to eliminate duplicates Z: 41 23.571 1.766 0.541 0.653 0.900 0.750 CA 1.319 41 residues pruned to eliminate duplicates Z: 52 29.523 1.854 0.678 0.606 0.922 0.686 CB 1.304 52 residues pruned to eliminate duplicates Z: 54 29.481 1.834 0.681 0.571 0.925 0.698 CB 1.327 54 residues pruned to eliminate duplicates Z: 41 31.407 1.829 0.683 0.711 0.950 0.775 CA 1.402 41 residues pruned to eliminate duplicates Z: 35 26.117 1.815 0.672 0.713 0.941 0.882 CB 1.293 35 residues pruned to eliminate duplicates Z: 72 34.487 1.809 0.607 0.596 0.944 0.662 CB 1.361 123 residues pruned to eliminate duplicates Z: 15 22.984 1.794 0.780 0.912 1.000 0.929 CA 1.362 15 residues pruned to eliminate duplicates Z: 42 30.873 1.884 0.774 0.641 0.951 0.805 CB 1.330 42 residues pruned to eliminate duplicates Z: 52 31.145 1.834 0.723 0.603 0.941 0.686 CB 1.329 52 residues pruned to eliminate duplicates Z: 49 29.058 1.839 0.733 0.588 0.917 0.688 CB 1.319 49 residues pruned to eliminate duplicates Z: 45 28.548 1.813 0.701 0.652 0.955 0.682 CB 1.269 45 residues pruned to eliminate duplicates Z: 50 32.547 1.878 0.730 0.624 0.939 0.735 CB 1.356 50 residues pruned to eliminate duplicates Z: 35 25.673 1.832 0.705 0.661 0.912 0.618 CB 1.332 35 residues pruned to eliminate duplicates Z: 34 23.356 1.842 0.658 0.659 0.970 0.788 CB 1.185 34 residues pruned to eliminate duplicates Z: 49 24.931 1.806 0.658 0.593 0.854 0.708 CA 1.287 49 residues pruned to eliminate duplicates Z: 57 32.667 1.836 0.798 0.574 0.929 0.625 CB 1.326 57 residues pruned to eliminate duplicates Z: 22 15.429 1.744 0.760 0.491 0.810 0.429 CA 1.367 22 residues pruned to eliminate duplicates Z: 42 27.747 1.852 0.678 0.637 0.902 0.756 CA 1.358 42 residues pruned to eliminate duplicates Z: 51 30.272 1.844 0.728 0.577 0.920 0.640 CB 1.357 51 residues pruned to eliminate duplicates Z: 31 25.836 1.793 0.834 0.657 0.933 0.500 CB 1.328 31 residues pruned to eliminate duplicates Z: 50 29.224 1.829 0.715 0.627 0.959 0.571 CB 1.231 50 residues pruned to eliminate duplicates Z: 45 30.407 1.843 0.776 0.630 0.955 0.773 CB 1.299 45 residues pruned to eliminate duplicates Z: 12 11.803 1.800 0.683 0.531 0.818 0.545 N 1.392 12 residues pruned to eliminate duplicates Z: 20 10.741 1.688 0.458 0.437 0.842 0.474 CB 1.269 20 residues pruned to eliminate duplicates Z: 16 9.441 1.709 0.389 0.468 0.800 0.667 CB 1.326 16 residues pruned to eliminate duplicates Z: 52 29.179 1.803 0.697 0.613 0.941 0.608 CB 1.275 52 residues pruned to eliminate duplicates Z: 16 10.580 1.710 0.520 0.452 0.800 0.533 CA 1.380 16 residues pruned to eliminate duplicates Z: 43 29.326 1.804 0.648 0.618 0.976 0.643 CA 1.394 43 residues pruned to eliminate duplicates Z: 55 29.863 1.811 0.762 0.590 0.889 0.574 CB 1.315 55 residues pruned to eliminate duplicates Z: 33 17.863 1.761 0.671 0.529 0.969 0.562 CA 1.076 33 residues pruned to eliminate duplicates Z: 66 34.822 1.829 0.731 0.586 0.938 0.692 CB 1.339 66 residues pruned to eliminate duplicates Z: 26 17.021 1.799 0.532 0.545 0.960 0.680 CA 1.231 26 residues pruned to eliminate duplicates Z: 44 31.610 1.810 0.725 0.652 1.000 0.605 CA 1.341 44 residues pruned to eliminate duplicates Z: 13 8.545 1.751 0.403 0.427 0.917 0.500 CA 1.181 Z: 6 2.527 1.517 0.608 0.454 1.000 0.800 CA 0.486 7 residues pruned to eliminate duplicates Z: 6 4.659 1.538 0.649 0.443 1.000 0.600 CA 0.871 6 residues pruned to eliminate duplicates Z: 13 9.306 1.856 0.599 0.361 0.917 0.500 CA 1.147 12 residues pruned to eliminate duplicates Z: 6 6.532 1.841 0.427 0.613 1.000 0.800 CA 0.999 6 residues pruned to eliminate duplicates Z: 17 9.657 1.798 0.426 0.432 0.875 0.375 CA 1.154 13 residues pruned to eliminate duplicates Z: 6 6.739 1.825 0.719 0.321 1.000 0.600 CA 1.170 5 residues pruned to eliminate duplicates 6 0.738 1.402 0.321 0.256 0.600 0.200 CA 0.393 ? 6 1.654 1.208 0.779 0.453 1.000 0.600 CA 0.361 ? Z: 6 2.404 1.346 0.530 0.412 1.000 0.600 CA 0.572 6 residues pruned to eliminate duplicates Z: 29 20.141 1.789 0.563 0.710 1.000 0.821 CA 1.125 29 residues pruned to eliminate duplicates Z: 24 11.818 1.680 0.477 0.493 0.957 0.609 CA 1.046 31 residues pruned to eliminate duplicates Z: 16 15.276 1.799 0.400 0.790 1.000 0.867 CA 1.213 16 residues pruned to eliminate duplicates Z: 9 6.793 1.791 0.506 0.424 1.000 0.625 CB 0.963 9 residues pruned to eliminate duplicates Z: 35 17.982 1.740 0.598 0.623 0.912 0.765 CB 1.083 35 residues pruned to eliminate duplicates Z: 19 19.675 1.843 0.685 0.799 0.944 0.833 CB 1.217 34 residues pruned to eliminate duplicates Z: 35 25.202 1.817 0.532 0.737 1.000 0.735 CB 1.255 35 residues pruned to eliminate duplicates Z: 21 20.293 1.775 0.810 0.803 0.950 0.700 CB 1.141 21 residues pruned to eliminate duplicates Z: 40 25.855 1.769 0.900 0.600 0.949 0.718 CB 1.181 40 residues pruned to eliminate duplicates Z: 15 21.801 1.764 1.023 0.865 1.000 0.643 CB 1.196 15 residues pruned to eliminate duplicates Z: 20 21.981 1.784 0.959 0.774 1.000 0.842 CB 1.132 20 residues pruned to eliminate duplicates Z: 42 25.440 1.804 0.626 0.696 0.976 0.805 CB 1.160 42 residues pruned to eliminate duplicates Z: 34 20.875 1.790 0.724 0.615 0.939 0.697 CB 1.125 34 residues pruned to eliminate duplicates Z: 20 24.247 1.841 0.976 0.765 1.000 0.684 CB 1.209 20 residues pruned to eliminate duplicates Z: 42 25.038 1.783 0.621 0.675 0.976 0.634 CB 1.180 42 residues pruned to eliminate duplicates Z: 41 27.203 1.789 0.783 0.629 0.975 0.750 CB 1.225 43 residues pruned to eliminate duplicates Z: 21 21.483 1.799 0.740 0.808 1.000 0.700 CB 1.174 21 residues pruned to eliminate duplicates Z: 22 19.989 1.819 0.860 0.712 0.952 0.667 CB 1.116 22 residues pruned to eliminate duplicates Z: 17 13.903 1.694 0.696 0.613 0.875 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 41 25.028 1.798 0.766 0.651 0.900 0.650 CB 1.203 41 residues pruned to eliminate duplicates Z: 39 29.072 1.794 0.749 0.722 0.974 0.789 CB 1.263 40 residues pruned to eliminate duplicates Z: 9 6.192 1.584 0.354 0.777 1.000 0.625 CB 0.799 9 residues pruned to eliminate duplicates Z: 28 20.951 1.802 0.596 0.604 1.000 0.778 CA 1.270 26 residues pruned to eliminate duplicates Z: 14 14.073 1.772 0.402 0.808 1.000 0.846 CA 1.201 14 residues pruned to eliminate duplicates Z: 27 19.753 1.779 0.654 0.582 0.962 0.615 CB 1.266 24 residues pruned to eliminate duplicates Z: 14 12.245 1.721 0.334 0.810 1.000 0.692 CB 1.129 14 residues pruned to eliminate duplicates Z: 48 27.442 1.794 0.728 0.601 0.957 0.702 CB 1.224 48 residues pruned to eliminate duplicates Z: 45 25.682 1.767 0.732 0.578 0.955 0.636 CB 1.229 45 residues pruned to eliminate duplicates Z: 40 26.884 1.782 0.774 0.639 0.949 0.718 CB 1.260 40 residues pruned to eliminate duplicates Z: 22 15.375 1.713 0.449 0.588 1.000 0.571 CA 1.242 22 residues pruned to eliminate duplicates Z: 41 25.347 1.770 0.786 0.605 0.950 0.600 CB 1.208 41 residues pruned to eliminate duplicates Z: 40 24.908 1.801 0.711 0.614 0.949 0.692 CB 1.224 40 residues pruned to eliminate duplicates Z: 29 17.758 1.749 0.563 0.555 0.893 0.679 CB 1.303 29 residues pruned to eliminate duplicates Z: 23 16.523 1.806 0.586 0.554 0.955 0.636 CB 1.223 23 residues pruned to eliminate duplicates Z: 42 24.230 1.771 0.654 0.635 0.951 0.634 CB 1.196 42 residues pruned to eliminate duplicates Z: 21 17.844 1.794 0.599 0.605 0.950 0.700 CB 1.325 21 residues pruned to eliminate duplicates Z: 23 18.885 1.712 0.742 0.601 0.955 0.682 CA 1.285 23 residues pruned to eliminate duplicates Z: 24 19.736 1.772 0.651 0.577 1.000 0.522 CA 1.306 24 residues pruned to eliminate duplicates Z: 41 24.398 1.747 0.826 0.598 0.900 0.550 CB 1.224 41 residues pruned to eliminate duplicates Z: 27 18.886 1.751 0.594 0.539 1.000 0.577 CB 1.277 27 residues pruned to eliminate duplicates Z: 43 25.445 1.762 0.713 0.640 0.929 0.762 CB 1.229 43 residues pruned to eliminate duplicates Z: 21 14.305 1.775 0.468 0.538 0.950 0.550 CA 1.246 21 residues pruned to eliminate duplicates Z: 52 26.536 1.784 0.707 0.575 0.961 0.588 CB 1.182 52 residues pruned to eliminate duplicates Z: 24 19.574 1.760 0.672 0.614 1.000 0.652 CA 1.244 24 residues pruned to eliminate duplicates Z: 28 15.206 1.721 0.639 0.520 0.963 0.630 CB 1.057 28 residues pruned to eliminate duplicates Z: 52 29.039 1.771 0.779 0.638 0.980 0.725 CB 1.157 52 residues pruned to eliminate duplicates Z: 27 13.305 1.747 0.480 0.445 0.923 0.577 CB 1.157 27 residues pruned to eliminate duplicates Z: 59 25.254 1.759 0.738 0.558 0.897 0.724 CB 1.144 59 residues pruned to eliminate duplicates Z: 8 7.681 1.653 1.023 0.448 0.857 0.429 CB 1.068 3 residues pruned to eliminate duplicates Z: 6 5.707 1.461 1.417 0.421 1.000 0.600 CA 0.785 6 residues pruned to eliminate duplicates Z: 11 10.603 1.819 1.072 0.427 0.900 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 30 18.080 1.731 0.714 0.529 0.897 0.724 CA 1.227 53 residues pruned to eliminate duplicates Z: 11 8.750 1.811 0.923 0.346 0.900 0.500 CA 1.043 Z: 17 9.711 1.652 0.319 0.776 0.812 0.688 CB 1.075 17 residues pruned to eliminate duplicates Z: 42 23.246 1.769 0.717 0.589 0.878 0.683 CB 1.250 53 residues pruned to eliminate duplicates Z: 33 19.358 1.754 0.559 0.685 0.906 0.719 CB 1.166 33 residues pruned to eliminate duplicates Z: 34 15.961 1.661 0.633 0.472 0.879 0.515 CA 1.199 34 residues pruned to eliminate duplicates Z: 19 14.579 1.774 0.413 0.810 1.000 0.667 CB 1.046 19 residues pruned to eliminate duplicates Z: 22 13.861 1.695 0.451 0.698 1.000 0.714 CB 1.027 22 residues pruned to eliminate duplicates Z: 21 14.608 1.712 0.585 0.760 0.950 0.600 CB 1.006 21 residues pruned to eliminate duplicates Z: 19 13.965 1.773 0.555 0.806 0.944 0.667 CB 0.969 19 residues pruned to eliminate duplicates Z: 22 16.158 1.727 0.638 0.808 0.952 0.667 CB 1.001 22 residues pruned to eliminate duplicates Z: 44 24.121 1.741 0.795 0.572 0.930 0.512 CB 1.181 44 residues pruned to eliminate duplicates Z: 43 24.707 1.762 0.827 0.618 0.881 0.667 CB 1.202 43 residues pruned to eliminate duplicates Z: 20 16.970 1.741 0.694 0.824 0.947 0.789 CB 1.053 20 residues pruned to eliminate duplicates Z: 20 18.716 1.740 0.692 0.823 1.000 0.684 CB 1.102 20 residues pruned to eliminate duplicates Z: 44 25.258 1.805 0.751 0.636 0.977 0.651 CB 1.098 44 residues pruned to eliminate duplicates Z: 40 14.168 1.715 0.691 0.529 0.846 0.436 CB 0.899 40 residues pruned to eliminate duplicates Z: 24 11.539 1.646 0.417 0.674 0.913 0.565 CB 0.962 24 residues pruned to eliminate duplicates Z: 34 21.564 1.764 0.698 0.686 0.848 0.667 CB 1.245 34 residues pruned to eliminate duplicates Z: 13 8.248 1.672 0.498 0.502 0.833 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 20 17.196 1.772 0.643 0.832 0.895 0.579 CB 1.137 20 residues pruned to eliminate duplicates Z: 19 14.340 1.749 0.753 0.836 0.944 0.667 CB 0.874 19 residues pruned to eliminate duplicates Z: 25 17.072 1.677 0.662 0.742 0.917 0.708 CB 1.098 41 residues pruned to eliminate duplicates Z: 55 25.891 1.747 0.577 0.618 0.926 0.630 CB 1.236 55 residues pruned to eliminate duplicates Z: 56 28.436 1.801 0.547 0.617 0.964 0.673 CA 1.278 56 residues pruned to eliminate duplicates Z: 34 19.445 1.735 0.534 0.567 0.909 0.727 CA 1.311 34 residues pruned to eliminate duplicates Z: 53 31.062 1.817 0.722 0.640 0.962 0.750 CB 1.255 60 residues pruned to eliminate duplicates Z: 7 3.452 1.654 0.633 0.294 0.833 0.833 CA 0.788 7 residues pruned to eliminate duplicates Z: 18 8.964 1.712 0.594 0.493 0.941 0.647 CA 0.852 18 residues pruned to eliminate duplicates Z: 41 23.433 1.770 0.542 0.667 1.000 0.825 CB 1.163 41 residues pruned to eliminate duplicates Z: 35 23.404 1.820 0.589 0.541 0.971 0.676 CA 1.374 35 residues pruned to eliminate duplicates Z: 34 21.792 1.828 0.614 0.566 0.939 0.636 CA 1.284 34 residues pruned to eliminate duplicates Z: 28 15.066 1.692 0.694 0.446 0.852 0.630 CA 1.255 28 residues pruned to eliminate duplicates Z: 20 12.683 1.827 0.357 0.442 0.947 0.737 CA 1.315 20 residues pruned to eliminate duplicates Z: 34 15.568 1.782 0.369 0.493 0.879 0.727 CA 1.273 34 residues pruned to eliminate duplicates Z: 25 15.471 1.834 0.450 0.435 0.917 0.625 CA 1.386 25 residues pruned to eliminate duplicates Z: 29 16.460 1.756 0.397 0.454 0.929 0.571 CB 1.432 29 residues pruned to eliminate duplicates Z: 26 12.937 1.694 0.443 0.412 0.920 0.560 CA 1.261 26 residues pruned to eliminate duplicates Z: 48 20.863 1.749 0.622 0.510 0.851 0.553 CB 1.248 48 residues pruned to eliminate duplicates Z: 51 24.437 1.785 0.622 0.612 0.840 0.640 CA 1.278 51 residues pruned to eliminate duplicates Z: 23 14.190 1.810 0.320 0.526 0.909 0.682 CB 1.358 23 residues pruned to eliminate duplicates Z: 35 21.491 1.823 0.620 0.559 0.912 0.618 CA 1.293 35 residues pruned to eliminate duplicates Z: 33 17.631 1.743 0.597 0.496 0.938 0.531 CA 1.199 54 residues pruned to eliminate duplicates Z: 33 18.424 1.813 0.463 0.502 0.969 0.562 CA 1.264 33 residues pruned to eliminate duplicates Z: 35 21.618 1.820 0.633 0.551 0.971 0.618 CA 1.224 35 residues pruned to eliminate duplicates Z: 16 13.963 1.800 0.646 0.490 1.000 0.333 CA 1.229 16 residues pruned to eliminate duplicates Z: 23 16.280 1.873 0.558 0.509 0.909 0.636 CA 1.298 23 residues pruned to eliminate duplicates Z: 89 32.428 1.747 0.728 0.529 0.920 0.523 CB 1.208 89 residues pruned to eliminate duplicates Z: 33 19.774 1.851 0.632 0.517 0.906 0.625 CA 1.255 33 residues pruned to eliminate duplicates Z: 10 13.951 1.892 0.723 0.740 0.889 0.889 CB 1.294 10 residues pruned to eliminate duplicates Z: 34 20.775 1.827 0.647 0.545 0.909 0.606 CA 1.264 34 residues pruned to eliminate duplicates Z: 9 13.763 1.913 0.666 0.720 0.875 0.750 CA 1.431 9 residues pruned to eliminate duplicates Z: 17 12.131 1.682 0.756 0.578 0.750 0.625 N 1.270 13 residues pruned to eliminate duplicates Z: 6 2.917 1.496 0.677 0.354 1.000 0.800 CA 0.609 6 residues pruned to eliminate duplicates Z: 13 11.148 1.705 0.630 0.740 0.917 0.667 CB 1.019 13 residues pruned to eliminate duplicates Z: 11 13.378 1.871 0.762 0.693 0.900 0.800 CB 1.195 16 residues pruned to eliminate duplicates Z: 7 2.818 1.356 0.529 0.434 0.833 0.333 CB 0.713 Z: 6 3.025 1.201 0.745 0.370 1.000 0.200 CB 0.742 Z: 14 14.949 1.772 0.572 0.742 1.000 0.692 CB 1.198 13 residues pruned to eliminate duplicates Z: 14 17.221 1.786 0.697 0.759 1.000 0.769 CB 1.252 14 residues pruned to eliminate duplicates Z: 14 15.363 1.685 0.674 0.786 0.923 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 25 16.945 1.739 0.470 0.663 1.000 0.667 CB 1.163 27 residues pruned to eliminate duplicates Z: 15 10.866 1.603 0.571 0.745 0.857 0.714 CB 1.081 15 residues pruned to eliminate duplicates Z: 13 11.556 1.647 0.627 0.705 0.833 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 22 13.215 1.716 0.526 0.633 0.952 0.571 CB 1.020 22 residues pruned to eliminate duplicates Z: 24 16.360 1.800 0.479 0.646 0.957 0.739 CB 1.169 24 residues pruned to eliminate duplicates Z: 14 11.635 1.703 0.470 0.677 0.923 0.769 CB 1.186 14 residues pruned to eliminate duplicates Z: 16 12.120 1.761 0.439 0.649 0.933 0.667 CB 1.152 16 residues pruned to eliminate duplicates Z: 27 15.392 1.743 0.474 0.626 0.923 0.615 CB 1.130 27 residues pruned to eliminate duplicates Z: 22 15.312 1.729 0.571 0.657 0.952 0.667 CB 1.117 22 residues pruned to eliminate duplicates Z: 21 13.826 1.759 0.528 0.661 0.950 0.700 CB 1.043 21 residues pruned to eliminate duplicates Z: 9 3.475 1.469 0.289 0.280 0.875 0.625 CB 0.950 9 residues pruned to eliminate duplicates Z: 34 14.986 1.723 0.411 0.601 0.939 0.606 CB 1.038 37 residues pruned to eliminate duplicates Z: 9 6.143 1.574 0.346 0.841 1.000 0.500 CB 0.764 9 residues pruned to eliminate duplicates Z: 9 7.356 1.589 0.304 0.743 1.000 0.500 CB 1.010 9 residues pruned to eliminate duplicates Z: 9 5.307 1.634 0.149 0.750 1.000 0.500 CB 0.800 9 residues pruned to eliminate duplicates Z: 11 8.176 1.570 0.406 0.675 0.900 0.700 CB 1.108 10 residues pruned to eliminate duplicates Z: 9 8.351 1.614 0.414 0.861 1.000 0.625 CA 0.951 9 residues pruned to eliminate duplicates Z: 19 9.613 1.603 0.308 0.646 1.000 0.722 CB 0.943 19 residues pruned to eliminate duplicates Z: 32 17.421 1.702 0.499 0.721 0.903 0.645 CB 1.113 44 residues pruned to eliminate duplicates Z: 6 2.550 1.533 0.711 0.432 1.000 1.000 CA 0.466 Z: 7 5.518 1.520 0.667 0.470 1.000 0.667 CB 0.917 Z: 6 2.429 1.323 0.838 0.503 0.800 0.800 N 0.557 6 residues pruned to eliminate duplicates Z: 12 21.096 1.755 1.058 0.794 1.000 0.909 CA 1.361 25 residues pruned to eliminate duplicates Z: 11 5.502 1.554 0.048 0.685 0.900 0.800 CB 1.002 11 residues pruned to eliminate duplicates Z: 21 16.118 1.709 0.653 0.574 0.900 0.600 CB 1.321 21 residues pruned to eliminate duplicates Z: 9 6.552 1.562 0.265 0.778 0.875 0.500 CA 1.049 9 residues pruned to eliminate duplicates Z: 9 5.439 1.692 0.242 0.637 0.875 0.500 CB 0.920 9 residues pruned to eliminate duplicates Z: 15 11.365 1.649 0.494 0.623 1.000 0.714 CA 1.098 15 residues pruned to eliminate duplicates Z: 14 12.390 1.662 0.714 0.665 0.923 0.846 CA 1.122 14 residues pruned to eliminate duplicates Z: 14 11.942 1.702 0.700 0.691 0.923 0.615 CB 1.041 14 residues pruned to eliminate duplicates Z: 16 11.057 1.547 0.746 0.629 1.000 0.800 CA 0.937 16 residues pruned to eliminate duplicates Z: 26 16.653 1.688 0.563 0.733 1.000 0.720 CB 1.024 26 residues pruned to eliminate duplicates Z: 12 12.896 1.700 0.555 0.780 1.000 0.727 CB 1.149 12 residues pruned to eliminate duplicates Z: 13 11.261 1.656 0.503 0.740 1.000 0.750 CA 1.053 13 residues pruned to eliminate duplicates Z: 12 15.318 1.773 1.102 0.795 0.909 0.909 CB 1.053 12 residues pruned to eliminate duplicates Z: 12 14.872 1.744 1.198 0.739 0.909 0.818 CB 1.039 12 residues pruned to eliminate duplicates Z: 22 10.515 1.579 0.763 0.474 0.714 0.619 CB 1.185 22 residues pruned to eliminate duplicates Z: 12 15.305 1.781 1.398 0.817 0.909 0.909 CB 0.902 12 residues pruned to eliminate duplicates Z: 10 21.367 1.893 1.491 0.869 1.000 0.889 CB 1.104 10 residues pruned to eliminate duplicates Z: 23 19.781 1.755 0.833 0.718 0.864 0.773 CB 1.246 25 residues pruned to eliminate duplicates Z: 6 2.428 1.486 0.501 0.256 0.800 0.600 N 0.805 6 residues pruned to eliminate duplicates Z: 16 12.581 1.734 1.041 0.578 0.800 0.733 CB 1.065 16 residues pruned to eliminate duplicates Z: 31 15.452 1.677 0.718 0.586 0.833 0.533 CB 1.082 31 residues pruned to eliminate duplicates Z: 6 7.059 1.860 0.536 0.542 0.800 0.800 N 1.326 Z: 12 15.578 1.732 0.508 0.816 1.000 0.727 CA 1.366 12 residues pruned to eliminate duplicates Z: 12 13.766 1.811 0.399 0.791 0.909 0.636 CA 1.396 12 residues pruned to eliminate duplicates Z: 13 18.746 1.664 0.925 0.857 0.917 0.667 N 1.358 13 residues pruned to eliminate duplicates Z: 12 16.338 1.706 0.822 0.805 1.000 0.818 CB 1.214 12 residues pruned to eliminate duplicates Z: 11 18.294 1.802 0.829 0.909 1.000 0.700 CB 1.246 12 residues pruned to eliminate duplicates Z: 12 18.982 1.748 0.805 0.842 1.000 0.909 CB 1.352 11 residues pruned to eliminate duplicates Z: 12 20.657 1.784 1.006 0.795 1.000 0.818 CB 1.344 12 residues pruned to eliminate duplicates Z: 12 19.004 1.862 0.818 0.829 1.000 0.636 CB 1.274 12 residues pruned to eliminate duplicates Z: 13 17.995 1.684 1.037 0.802 0.917 0.500 N 1.269 13 residues pruned to eliminate duplicates Z: 13 17.915 1.718 0.902 0.799 1.000 0.667 CB 1.218 12 residues pruned to eliminate duplicates Z: 12 18.861 1.738 1.049 0.809 0.909 0.545 CB 1.343 12 residues pruned to eliminate duplicates Z: 17 10.295 1.670 0.593 0.655 0.812 0.250 CB 1.031 17 residues pruned to eliminate duplicates Z: 29 22.929 1.797 0.745 0.729 0.929 0.679 CB 1.211 30 residues pruned to eliminate duplicates Z: 19 14.990 1.765 0.551 0.776 0.833 0.667 CB 1.214 19 residues pruned to eliminate duplicates Z: 8 7.413 1.596 1.028 0.619 0.714 0.143 N 1.083 8 residues pruned to eliminate duplicates Z: 14 8.343 1.609 0.322 0.525 0.846 0.308 CB 1.255 14 residues pruned to eliminate duplicates Z: 14 10.890 1.625 0.474 0.602 1.000 0.385 CB 1.144 14 residues pruned to eliminate duplicates Z: 18 8.199 1.551 0.612 0.525 0.824 0.471 CB 0.942 18 residues pruned to eliminate duplicates Z: 11 7.694 1.509 0.368 0.741 1.000 0.300 CB 0.950 11 residues pruned to eliminate duplicates Z: 15 10.060 1.642 0.511 0.638 1.000 0.786 CB 0.953 15 residues pruned to eliminate duplicates Z: 11 10.115 1.652 0.223 0.881 1.000 0.800 CB 1.146 11 residues pruned to eliminate duplicates Z: 11 10.473 1.666 0.268 0.891 1.000 0.700 CB 1.127 11 residues pruned to eliminate duplicates Z: 11 9.567 1.590 0.311 0.878 1.000 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 18 10.988 1.579 0.508 0.641 1.000 0.882 CB 0.981 18 residues pruned to eliminate duplicates Z: 39 18.788 1.724 0.580 0.481 0.947 0.500 CA 1.203 39 residues pruned to eliminate duplicates Z: 8 6.814 1.693 0.252 0.690 1.000 0.714 CB 1.021 8 residues pruned to eliminate duplicates Z: 40 21.057 1.762 0.651 0.568 0.897 0.590 CA 1.210 40 residues pruned to eliminate duplicates Z: 14 9.222 1.605 0.668 0.537 0.846 0.615 CB 1.089 14 residues pruned to eliminate duplicates Z: 17 15.174 1.623 0.867 0.682 1.000 0.688 CB 1.060 17 residues pruned to eliminate duplicates Z: 18 10.606 1.560 0.624 0.589 0.941 0.471 CB 0.991 18 residues pruned to eliminate duplicates Z: 22 12.814 1.668 0.544 0.576 1.000 0.762 CB 1.009 22 residues pruned to eliminate duplicates Z: 18 12.895 1.699 0.601 0.538 1.000 0.706 CB 1.108 18 residues pruned to eliminate duplicates Z: 13 13.452 1.684 0.598 0.759 0.917 0.667 N 1.250 13 residues pruned to eliminate duplicates Z: 26 14.487 1.629 0.577 0.584 1.000 0.640 CB 1.040 26 residues pruned to eliminate duplicates Z: 41 23.040 1.768 0.583 0.633 0.950 0.675 CB 1.209 41 residues pruned to eliminate duplicates Z: 40 25.214 1.803 0.613 0.619 0.974 0.769 CB 1.274 40 residues pruned to eliminate duplicates Z: 22 17.055 1.688 0.561 0.771 1.000 0.571 CB 1.111 22 residues pruned to eliminate duplicates Z: 27 15.394 1.794 0.398 0.487 0.962 0.538 CA 1.268 27 residues pruned to eliminate duplicates Z: 28 15.159 1.823 0.558 0.469 0.815 0.481 CA 1.300 28 residues pruned to eliminate duplicates Z: 25 18.972 1.839 0.680 0.480 1.000 0.500 CA 1.278 25 residues pruned to eliminate duplicates Z: 31 17.904 1.834 0.599 0.527 0.900 0.533 CA 1.206 31 residues pruned to eliminate duplicates Z: 44 23.718 1.748 0.670 0.612 0.907 0.581 CA 1.228 44 residues pruned to eliminate duplicates Z: 38 19.442 1.772 0.640 0.541 0.892 0.568 CB 1.184 38 residues pruned to eliminate duplicates Z: 27 20.252 1.806 0.682 0.535 1.000 0.615 CB 1.263 27 residues pruned to eliminate duplicates Z: 42 22.366 1.761 0.584 0.591 0.951 0.659 CA 1.206 42 residues pruned to eliminate duplicates Z: 23 12.832 1.818 0.576 0.416 0.864 0.545 CA 1.208 23 residues pruned to eliminate duplicates Z: 20 12.799 1.861 0.570 0.417 0.947 0.474 CA 1.157 20 residues pruned to eliminate duplicates Z: 27 13.871 1.825 0.419 0.467 0.923 0.462 CA 1.177 27 residues pruned to eliminate duplicates Z: 41 19.970 1.740 0.520 0.557 0.975 0.525 CB 1.158 41 residues pruned to eliminate duplicates Z: 28 15.803 1.831 0.596 0.492 0.852 0.481 CA 1.231 28 residues pruned to eliminate duplicates Z: 29 16.387 1.808 0.608 0.526 0.893 0.536 CA 1.163 29 residues pruned to eliminate duplicates Z: 28 17.364 1.834 0.588 0.531 0.852 0.556 CA 1.307 28 residues pruned to eliminate duplicates Z: 26 15.468 1.832 0.540 0.519 0.920 0.520 CA 1.170 26 residues pruned to eliminate duplicates Z: 15 12.028 1.934 0.484 0.486 0.929 0.429 CA 1.223 Z: 6 5.627 1.698 0.787 0.724 1.000 0.400 CA 0.677 Z: 8 7.270 1.774 0.732 0.514 0.857 0.714 CA 1.030 6 residues pruned to eliminate duplicates Z: 7 7.174 1.745 0.946 0.486 1.000 0.333 CA 0.875 7 residues pruned to eliminate duplicates Z: 37 15.376 1.796 0.420 0.494 0.861 0.556 CB 1.174 45 residues pruned to eliminate duplicates Z: 44 21.654 1.728 0.539 0.620 0.953 0.721 CA 1.164 44 residues pruned to eliminate duplicates Z: 27 13.840 1.832 0.333 0.447 0.885 0.500 CB 1.328 42 residues pruned to eliminate duplicates Z: 10 11.256 1.585 1.061 0.653 0.889 0.778 CB 1.121 10 residues pruned to eliminate duplicates Z: 12 11.434 1.571 0.902 0.713 0.909 0.818 CB 1.046 12 residues pruned to eliminate duplicates Z: 11 12.673 1.556 0.931 0.679 1.000 0.800 CB 1.131 11 residues pruned to eliminate duplicates Z: 10 9.645 1.566 0.606 0.630 0.889 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 9 11.590 1.753 0.746 0.614 0.875 0.750 CB 1.374 9 residues pruned to eliminate duplicates Z: 9 15.590 1.773 0.770 0.721 1.000 1.000 CB 1.439 9 residues pruned to eliminate duplicates Z: 8 17.125 1.840 1.015 0.731 1.000 0.714 CA 1.419 Z: 13 13.542 1.609 0.558 0.745 1.000 0.917 CB 1.252 13 residues pruned to eliminate duplicates Z: 10 2.647 1.429 0.429 0.112 0.667 0.222 CA 1.059 11 residues pruned to eliminate duplicates Z: 11 14.621 1.746 0.553 0.886 0.900 0.800 N 1.368 11 residues pruned to eliminate duplicates Z: 12 14.300 1.715 0.575 0.769 1.000 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 12 12.088 1.681 0.401 0.793 1.000 0.909 CB 1.197 19 residues pruned to eliminate duplicates Z: 13 12.672 1.526 0.509 0.822 0.917 0.667 CA 1.310 13 residues pruned to eliminate duplicates Z: 13 13.275 1.715 0.403 0.765 0.917 0.917 CB 1.374 13 residues pruned to eliminate duplicates Z: 13 13.557 1.736 0.444 0.698 1.000 1.000 CB 1.303 13 residues pruned to eliminate duplicates Z: 12 15.513 1.728 0.472 0.826 1.000 1.000 CA 1.387 12 residues pruned to eliminate duplicates Z: 13 14.940 1.705 0.593 0.731 0.917 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 16 10.306 1.554 0.565 0.616 0.933 0.667 CB 1.051 16 residues pruned to eliminate duplicates Z: 24 20.641 1.708 0.705 0.779 0.957 0.783 CB 1.208 24 residues pruned to eliminate duplicates Z: 13 14.627 1.728 0.542 0.737 1.000 0.583 CB 1.281 13 residues pruned to eliminate duplicates Z: 23 12.386 1.638 0.623 0.610 0.864 0.500 CB 1.036 30 residues pruned to eliminate duplicates Z: 23 12.818 1.530 0.552 0.539 0.909 0.409 CB 1.218 23 residues pruned to eliminate duplicates Z: 6 2.093 1.346 0.952 0.435 0.600 0.200 CB 0.635 Z: 9 6.303 1.516 0.503 0.778 0.750 0.125 CB 1.020 15 residues pruned to eliminate duplicates Z: 16 5.929 1.608 0.490 0.493 0.733 0.600 CB 0.878 16 residues pruned to eliminate duplicates Z: 12 5.387 1.644 0.434 0.371 0.909 0.455 CB 0.869 12 residues pruned to eliminate duplicates Z: 11 4.472 1.554 0.371 0.304 0.800 0.500 CB 1.032 11 residues pruned to eliminate duplicates Z: 14 4.259 1.432 0.608 0.248 0.615 0.385 CB 1.114 20 residues pruned to eliminate duplicates Z: 10 2.616 1.449 0.160 0.272 0.667 0.667 CA 1.008 10 residues pruned to eliminate duplicates Z: 13 4.430 1.540 0.208 0.312 0.750 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 11 6.036 1.521 0.298 0.507 0.900 0.600 CB 1.067 11 residues pruned to eliminate duplicates 6 0.809 1.422 0.350 0.287 0.800 0.400 CB 0.300 ? Z: 14 7.943 1.643 0.591 0.501 0.769 0.462 CA 1.095 14 residues pruned to eliminate duplicates Z: 11 7.992 1.707 0.651 0.535 0.800 0.500 CA 1.083 11 residues pruned to eliminate duplicates Z: 11 9.649 1.817 0.522 0.632 1.000 0.700 CA 0.975 9 residues pruned to eliminate duplicates Z: 12 11.085 1.607 0.387 0.845 0.909 0.455 CB 1.226 11 residues pruned to eliminate duplicates Z: 7 7.206 1.669 0.523 0.731 0.833 0.500 N 1.128 7 residues pruned to eliminate duplicates Z: 8 6.351 1.703 0.182 0.616 1.000 0.429 CB 1.069 8 residues pruned to eliminate duplicates Z: 14 5.354 1.573 0.683 0.540 0.615 0.385 CB 0.876 14 residues pruned to eliminate duplicates Z: 12 11.288 1.694 0.400 0.735 1.000 0.636 N 1.162 12 residues pruned to eliminate duplicates Z: 9 8.231 1.576 0.410 0.810 0.875 0.500 CB 1.142 9 residues pruned to eliminate duplicates Z: 10 13.838 1.824 0.743 0.569 1.000 0.778 CA 1.357 11 residues pruned to eliminate duplicates Z: 14 11.592 1.801 0.511 0.690 0.923 0.692 CB 1.076 14 residues pruned to eliminate duplicates Z: 14 10.520 1.831 0.266 0.706 0.923 0.846 CB 1.131 14 residues pruned to eliminate duplicates Z: 23 19.901 1.875 0.589 0.729 0.955 0.909 CB 1.214 23 residues pruned to eliminate duplicates Z: 14 11.550 1.842 0.485 0.792 0.846 0.769 CB 1.071 14 residues pruned to eliminate duplicates Z: 14 13.278 1.873 0.581 0.735 0.923 0.769 CB 1.091 14 residues pruned to eliminate duplicates Z: 23 12.598 1.724 0.493 0.582 0.864 0.636 CB 1.116 12 residues pruned to eliminate duplicates Z: 18 17.255 1.744 0.732 0.844 0.941 0.765 CB 1.095 27 residues pruned to eliminate duplicates Z: 11 17.464 1.960 0.672 0.927 1.000 0.900 CB 1.181 11 residues pruned to eliminate duplicates Z: 22 18.912 1.885 0.641 0.694 0.905 0.810 CB 1.235 22 residues pruned to eliminate duplicates Z: 13 16.521 1.924 0.467 0.797 1.000 0.833 CB 1.303 13 residues pruned to eliminate duplicates Z: 11 14.119 1.988 0.264 0.905 1.000 1.000 CB 1.265 11 residues pruned to eliminate duplicates Z: 16 10.568 1.833 0.101 0.618 1.000 0.733 CB 1.208 16 residues pruned to eliminate duplicates Z: 29 14.150 1.734 0.400 0.613 0.893 0.643 CB 1.108 29 residues pruned to eliminate duplicates Z: 20 15.322 1.761 0.532 0.600 0.947 0.737 CB 1.250 20 residues pruned to eliminate duplicates Z: 17 13.866 1.732 0.447 0.741 0.938 0.875 CB 1.189 17 residues pruned to eliminate duplicates Z: 27 15.125 1.772 0.318 0.611 0.923 0.577 CB 1.238 27 residues pruned to eliminate duplicates Z: 18 7.032 1.587 0.503 0.310 0.882 0.176 CB 0.999 7 residues pruned to eliminate duplicates Z: 7 6.231 1.557 0.698 0.534 0.833 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 16 15.389 1.696 0.804 0.628 0.933 0.600 N 1.234 16 residues pruned to eliminate duplicates Z: 17 16.223 1.871 0.642 0.657 0.938 0.750 CB 1.218 17 residues pruned to eliminate duplicates Z: 20 16.675 1.692 0.687 0.572 0.895 0.526 N 1.397 20 residues pruned to eliminate duplicates Z: 22 13.586 1.705 0.609 0.529 0.905 0.714 CB 1.160 22 residues pruned to eliminate duplicates Z: 19 14.923 1.779 0.532 0.609 0.944 0.722 CB 1.233 19 residues pruned to eliminate duplicates Z: 17 12.180 1.846 0.451 0.568 0.875 0.750 CB 1.217 17 residues pruned to eliminate duplicates Z: 7 2.822 1.639 0.118 0.547 0.833 0.833 CB 0.720 7 residues pruned to eliminate duplicates Z: 14 12.551 1.658 0.466 0.823 1.000 0.846 CA 1.083 14 residues pruned to eliminate duplicates Z: 13 11.873 1.690 0.576 0.734 1.000 0.833 CB 1.043 13 residues pruned to eliminate duplicates Z: 20 9.679 1.545 0.359 0.587 0.895 0.526 CB 1.087 20 residues pruned to eliminate duplicates Z: 14 9.627 1.681 0.458 0.754 0.923 0.769 CB 0.941 14 residues pruned to eliminate duplicates Z: 14 10.972 1.680 0.454 0.705 0.923 0.769 CB 1.121 14 residues pruned to eliminate duplicates Z: 14 17.566 1.682 0.819 0.819 1.000 0.846 CA 1.207 14 residues pruned to eliminate duplicates Z: 24 19.510 1.766 0.740 0.632 0.913 0.652 N 1.281 24 residues pruned to eliminate duplicates Z: 20 17.840 1.699 0.731 0.771 0.947 0.684 CB 1.155 20 residues pruned to eliminate duplicates Z: 21 18.274 1.771 0.716 0.799 0.900 0.700 CB 1.150 21 residues pruned to eliminate duplicates Z: 22 20.273 1.767 0.707 0.762 0.952 0.667 CB 1.220 32 residues pruned to eliminate duplicates Z: 9 12.460 1.719 0.980 0.749 0.875 0.875 CB 1.183 10 residues pruned to eliminate duplicates Z: 10 11.110 1.648 0.634 0.808 1.000 0.667 CB 1.052 9 residues pruned to eliminate duplicates Z: 10 13.405 1.763 0.770 0.780 0.778 0.667 CA 1.438 10 residues pruned to eliminate duplicates Z: 10 12.820 1.790 0.549 0.783 0.889 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 16 11.248 1.723 0.549 0.444 0.933 0.400 CB 1.234 15 residues pruned to eliminate duplicates Z: 10 9.904 1.547 0.976 0.720 0.889 0.778 CB 0.996 10 residues pruned to eliminate duplicates Z: 27 15.108 1.720 0.748 0.533 0.808 0.577 CB 1.180 27 residues pruned to eliminate duplicates Z: 12 6.199 1.733 0.507 0.294 0.818 0.727 CB 1.101 9 residues pruned to eliminate duplicates Z: 7 5.546 1.308 1.289 0.526 1.000 0.667 CA 0.737 7 residues pruned to eliminate duplicates Z: 10 5.281 1.568 0.579 0.392 0.889 0.556 CB 0.896 8 residues pruned to eliminate duplicates Z: 6 2.729 1.564 0.757 0.299 0.800 0.800 CA 0.695 6 residues pruned to eliminate duplicates Z: 20 13.761 1.813 0.771 0.438 0.895 0.632 CA 1.171 20 residues pruned to eliminate duplicates Z: 28 15.265 1.750 0.525 0.452 0.926 0.630 CA 1.248 28 residues pruned to eliminate duplicates Z: 16 12.104 1.783 0.622 0.493 0.867 0.667 CA 1.255 16 residues pruned to eliminate duplicates Z: 62 22.975 1.713 0.583 0.510 0.918 0.590 CB 1.170 75 residues pruned to eliminate duplicates Z: 41 15.389 1.663 0.552 0.463 0.900 0.525 CA 1.088 41 residues pruned to eliminate duplicates Z: 37 15.543 1.692 0.450 0.526 0.889 0.667 CB 1.158 37 residues pruned to eliminate duplicates Z: 52 23.669 1.737 0.629 0.558 0.941 0.686 CA 1.176 52 residues pruned to eliminate duplicates Z: 60 25.013 1.746 0.604 0.538 0.949 0.627 CB 1.181 60 residues pruned to eliminate duplicates Z: 23 12.709 1.730 0.669 0.413 0.864 0.545 CA 1.191 23 residues pruned to eliminate duplicates Z: 40 19.206 1.737 0.604 0.503 0.923 0.667 CB 1.193 40 residues pruned to eliminate duplicates Z: 24 15.802 1.741 0.659 0.573 0.913 0.696 CB 1.164 24 residues pruned to eliminate duplicates Z: 61 25.517 1.727 0.620 0.535 0.950 0.667 CB 1.197 61 residues pruned to eliminate duplicates Z: 50 21.704 1.740 0.484 0.585 0.918 0.673 CB 1.205 50 residues pruned to eliminate duplicates Z: 40 20.728 1.714 0.766 0.487 0.923 0.615 CB 1.204 43 residues pruned to eliminate duplicates Z: 12 12.151 1.591 0.462 0.875 1.000 0.818 CB 1.145 12 residues pruned to eliminate duplicates Z: 31 15.381 1.730 0.615 0.455 0.967 0.667 CB 1.089 31 residues pruned to eliminate duplicates Z: 64 19.624 1.659 0.595 0.432 0.889 0.587 CB 1.128 64 residues pruned to eliminate duplicates Z: 60 22.313 1.681 0.603 0.515 0.898 0.661 CB 1.183 59 residues pruned to eliminate duplicates Z: 15 9.522 1.634 0.177 0.875 1.000 0.929 CB 0.963 15 residues pruned to eliminate duplicates Z: 25 18.145 1.754 0.588 0.589 1.000 0.792 CA 1.221 25 residues pruned to eliminate duplicates Z: 61 26.777 1.727 0.583 0.604 0.933 0.650 CB 1.228 61 residues pruned to eliminate duplicates Z: 31 20.586 1.738 0.810 0.588 0.967 0.700 CB 1.136 31 residues pruned to eliminate duplicates Z: 47 19.443 1.665 0.517 0.626 0.913 0.630 CB 1.103 47 residues pruned to eliminate duplicates Z: 49 22.857 1.721 0.567 0.562 0.958 0.729 CB 1.203 49 residues pruned to eliminate duplicates Z: 38 17.992 1.701 0.601 0.571 0.946 0.595 CB 1.073 38 residues pruned to eliminate duplicates Z: 60 23.763 1.710 0.581 0.593 0.898 0.661 CB 1.166 60 residues pruned to eliminate duplicates Z: 60 26.578 1.710 0.640 0.619 0.983 0.746 CB 1.121 60 residues pruned to eliminate duplicates Z: 65 28.908 1.749 0.664 0.578 0.953 0.688 CB 1.209 65 residues pruned to eliminate duplicates Z: 60 25.986 1.736 0.656 0.604 0.949 0.678 CB 1.123 60 residues pruned to eliminate duplicates Z: 62 25.117 1.732 0.453 0.599 0.951 0.590 CB 1.223 62 residues pruned to eliminate duplicates Z: 65 31.021 1.750 0.747 0.571 0.969 0.641 CA 1.222 65 residues pruned to eliminate duplicates Z: 64 26.359 1.729 0.644 0.572 0.937 0.746 CB 1.164 64 residues pruned to eliminate duplicates Z: 39 20.727 1.694 0.638 0.580 0.947 0.658 CB 1.184 39 residues pruned to eliminate duplicates Z: 38 18.521 1.692 0.592 0.574 0.892 0.595 CB 1.181 38 residues pruned to eliminate duplicates Z: 16 12.302 1.643 0.757 0.433 0.867 0.400 CB 1.360 16 residues pruned to eliminate duplicates Z: 23 17.420 1.725 0.547 0.580 0.955 0.591 CB 1.351 23 residues pruned to eliminate duplicates Z: 66 28.089 1.721 0.612 0.578 0.969 0.615 CB 1.202 66 residues pruned to eliminate duplicates Z: 62 28.424 1.780 0.642 0.535 0.967 0.623 CA 1.244 62 residues pruned to eliminate duplicates Z: 69 25.399 1.714 0.611 0.550 0.956 0.618 CB 1.111 69 residues pruned to eliminate duplicates Z: 57 30.323 1.761 0.679 0.650 0.964 0.786 CB 1.236 57 residues pruned to eliminate duplicates Z: 38 20.556 1.735 0.543 0.550 0.919 0.703 CA 1.308 38 residues pruned to eliminate duplicates Z: 59 25.837 1.750 0.600 0.573 0.897 0.621 CB 1.260 59 residues pruned to eliminate duplicates Z: 50 22.483 1.673 0.582 0.520 0.959 0.592 CB 1.240 50 residues pruned to eliminate duplicates Z: 65 28.323 1.741 0.642 0.569 0.969 0.672 CB 1.196 65 residues pruned to eliminate duplicates Z: 63 27.274 1.743 0.698 0.524 0.919 0.597 CA 1.243 63 residues pruned to eliminate duplicates Z: 56 26.705 1.763 0.591 0.575 0.927 0.727 CA 1.287 56 residues pruned to eliminate duplicates Z: 28 19.178 1.739 0.505 0.535 1.000 0.630 CA 1.363 28 residues pruned to eliminate duplicates Z: 59 28.099 1.730 0.715 0.601 0.914 0.621 CB 1.236 59 residues pruned to eliminate duplicates Z: 61 26.388 1.718 0.693 0.545 0.900 0.683 CB 1.245 61 residues pruned to eliminate duplicates Z: 14 9.850 1.747 0.596 0.433 0.846 0.538 CA 1.241 Z: 7 6.194 1.611 0.507 0.674 1.000 0.833 CA 0.887 8 residues pruned to eliminate duplicates Z: 6 3.656 1.730 0.346 0.297 1.000 0.400 CA 0.881 5 residues pruned to eliminate duplicates Z: 8 3.330 1.585 0.492 0.373 0.857 0.429 CA 0.711 8 residues pruned to eliminate duplicates Z: 62 26.642 1.759 0.601 0.558 0.918 0.705 CA 1.247 76 residues pruned to eliminate duplicates Z: 65 24.954 1.690 0.569 0.553 0.938 0.594 CB 1.193 65 residues pruned to eliminate duplicates Z: 31 17.954 1.711 0.617 0.510 0.933 0.600 CA 1.257 31 residues pruned to eliminate duplicates Z: 9 4.180 1.430 0.724 0.548 1.000 0.750 CB 0.572 9 residues pruned to eliminate duplicates Z: 9 6.095 1.413 0.849 0.665 1.000 0.500 CB 0.708 8 residues pruned to eliminate duplicates Z: 10 5.213 1.413 0.645 0.909 0.889 0.667 CB 0.597 10 residues pruned to eliminate duplicates Z: 6 4.683 1.384 0.746 0.551 1.000 0.400 CB 0.825 Z: 7 4.110 1.401 0.479 0.702 1.000 0.833 CB 0.673 7 residues pruned to eliminate duplicates Z: 14 7.546 1.408 0.830 0.684 0.923 0.615 CB 0.743 20 residues pruned to eliminate duplicates Z: 13 5.384 1.370 0.713 0.534 0.917 0.833 CB 0.699 13 residues pruned to eliminate duplicates Z: 16 9.006 1.456 0.916 0.703 1.000 0.733 CB 0.693 15 residues pruned to eliminate duplicates Z: 15 8.032 1.517 0.732 0.738 0.786 0.500 CB 0.840 14 residues pruned to eliminate duplicates Z: 17 8.883 1.452 0.482 0.802 0.938 0.750 CB 0.845 17 residues pruned to eliminate duplicates Z: 9 5.376 1.479 0.665 0.570 1.000 0.875 CA 0.721 9 residues pruned to eliminate duplicates Z: 20 12.006 1.608 0.502 0.598 0.895 0.684 CB 1.160 20 residues pruned to eliminate duplicates Z: 11 6.292 1.486 0.610 0.671 0.900 0.500 CB 0.789 11 residues pruned to eliminate duplicates Z: 21 10.909 1.562 0.439 0.452 0.900 0.700 CB 1.266 21 residues pruned to eliminate duplicates Z: 8 7.207 1.567 0.637 0.772 0.857 0.571 CB 0.974 8 residues pruned to eliminate duplicates Z: 18 9.708 1.489 0.467 0.698 1.000 0.588 CB 0.900 18 residues pruned to eliminate duplicates Z: 8 3.656 1.413 0.185 0.750 1.000 1.000 CA 0.660 8 residues pruned to eliminate duplicates Z: 12 4.843 1.529 0.142 0.477 0.818 0.545 CA 1.046 12 residues pruned to eliminate duplicates Z: 9 7.109 1.742 0.400 0.373 0.875 0.750 CA 1.350 9 residues pruned to eliminate duplicates Z: 13 10.689 1.708 0.663 0.452 0.917 0.667 CA 1.245 13 residues pruned to eliminate duplicates Z: 16 10.962 1.726 0.422 0.457 0.933 0.667 N 1.291 16 residues pruned to eliminate duplicates Z: 18 12.897 1.692 0.623 0.465 0.941 0.706 CA 1.254 18 residues pruned to eliminate duplicates Z: 27 11.616 1.643 0.476 0.430 0.846 0.538 CB 1.194 27 residues pruned to eliminate duplicates Z: 13 12.414 1.686 0.695 0.491 1.000 0.667 CA 1.266 13 residues pruned to eliminate duplicates Z: 16 14.934 1.709 0.657 0.592 1.000 0.733 CA 1.247 16 residues pruned to eliminate duplicates Z: 28 11.469 1.591 0.558 0.486 0.889 0.519 CB 1.016 28 residues pruned to eliminate duplicates Z: 17 13.631 1.687 0.603 0.552 0.938 0.562 N 1.279 17 residues pruned to eliminate duplicates Z: 16 13.554 1.770 0.449 0.576 0.933 0.733 CA 1.359 16 residues pruned to eliminate duplicates Z: 27 13.890 1.620 0.541 0.430 0.962 0.538 N 1.221 27 residues pruned to eliminate duplicates Z: 16 15.866 1.739 0.615 0.590 1.000 0.800 CA 1.339 16 residues pruned to eliminate duplicates Z: 17 12.712 1.718 0.606 0.565 0.875 0.750 CA 1.236 17 residues pruned to eliminate duplicates Z: 22 12.513 1.674 0.569 0.465 0.857 0.667 CB 1.256 22 residues pruned to eliminate duplicates Z: 24 13.311 1.655 0.402 0.506 0.957 0.739 CA 1.242 24 residues pruned to eliminate duplicates Z: 32 13.151 1.587 0.677 0.439 0.839 0.548 CB 1.127 32 residues pruned to eliminate duplicates Z: 29 16.121 1.696 0.567 0.479 0.964 0.679 CB 1.215 29 residues pruned to eliminate duplicates Z: 23 10.936 1.689 0.318 0.429 0.955 0.591 CA 1.182 23 residues pruned to eliminate duplicates Z: 6 2.155 1.692 0.262 0.106 1.000 0.600 CA 0.745 6 residues pruned to eliminate duplicates Z: 26 10.652 1.647 0.452 0.390 0.840 0.640 CB 1.192 26 residues pruned to eliminate duplicates Z: 25 12.534 1.655 0.512 0.397 0.917 0.625 CA 1.245 25 residues pruned to eliminate duplicates 725 residues left after pruning, divided into chains as follows: A: 10 B: 7 C: 9 D: 65 E: 6 F: 25 G: 24 H: 33 I: 88 J: 12 K: 7 L: 31 M: 11 N: 19 O: 79 P: 161 Q: 25 R: 12 S: 93 T: 8 CC for partial structure against native data = 36.70 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.382, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.443, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.517, Connect. = 0.732 for dens.mod. cycle 3 = 0.300, Contrast = 0.525, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.533, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.740 for dens.mod. cycle 6 = 0.300, Contrast = 0.542, Connect. = 0.742 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.744 for dens.mod. cycle 8 = 0.300, Contrast = 0.546, Connect. = 0.745 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.747 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3975 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 843 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 17.257 1.743 0.725 0.783 0.923 0.615 CA 1.343 B: 11 21.218 1.961 0.894 0.819 1.000 0.900 CA 1.370 12 residues pruned to eliminate duplicates C: 10 16.000 1.838 0.772 0.820 1.000 0.778 CB 1.241 D: 12 17.651 1.974 0.820 0.711 0.909 0.727 CA 1.346 12 residues pruned to eliminate duplicates E: 8 10.719 1.748 0.277 0.880 1.000 1.000 CA 1.315 F: 33 22.481 1.833 0.617 0.525 0.938 0.500 CB 1.395 G: 27 15.226 1.748 0.822 0.480 0.923 0.654 CA 1.036 H: 15 14.663 1.889 0.836 0.593 0.857 0.714 CB 1.206 I: 13 16.167 1.765 0.484 0.922 1.000 0.833 CB 1.252 J: 10 6.091 1.530 0.466 0.569 0.889 0.556 CB 0.953 K: 22 10.116 1.745 0.374 0.413 0.857 0.762 CA 1.176 L: 8 11.481 1.772 0.272 0.893 1.000 0.857 CA 1.381 8 residues pruned to eliminate duplicates M: 11 9.099 1.599 0.639 0.789 0.900 0.400 CB 0.946 N: 7 8.559 1.675 0.581 0.785 1.000 0.667 CB 1.027 7 residues pruned to eliminate duplicates O: 32 17.713 1.773 0.418 0.525 0.935 0.548 CB 1.320 29 residues pruned to eliminate duplicates P: 8 6.295 1.589 0.574 0.696 0.857 0.857 N 0.928 Q: 22 15.892 1.799 0.428 0.608 0.952 0.762 CB 1.280 R: 13 18.930 1.832 0.818 0.914 1.000 1.000 CB 1.160 10 residues pruned to eliminate duplicates S: 11 8.637 1.811 0.245 0.573 0.900 0.700 CB 1.255 T: 14 15.997 1.726 0.665 0.882 0.923 0.846 CB 1.211 13 residues pruned to eliminate duplicates U: 9 10.313 1.692 0.560 0.666 0.875 0.750 O 1.354 V: 50 24.297 1.790 0.644 0.573 0.939 0.735 CB 1.171 13 residues pruned to eliminate duplicates W: 12 10.083 1.778 0.476 0.816 1.000 0.636 CB 0.880 X: 12 16.842 1.752 0.770 0.853 1.000 0.909 CB 1.210 Y: 8 9.502 1.617 0.636 0.658 0.857 0.571 N 1.367 Z: 33 14.856 1.723 0.555 0.478 0.812 0.531 CB 1.233 30 residues pruned to eliminate duplicates Z: 16 6.066 1.530 0.383 0.411 0.733 0.467 CB 1.108 Z: 35 20.597 1.764 0.488 0.651 0.941 0.706 CB 1.243 35 residues pruned to eliminate duplicates Z: 17 6.282 1.616 0.581 0.309 0.688 0.438 CA 1.105 Z: 10 8.783 1.636 0.657 0.679 0.778 0.667 CB 1.178 Z: 10 12.952 1.893 0.546 0.897 1.000 0.778 CB 1.056 12 residues pruned to eliminate duplicates Z: 14 15.784 1.707 0.737 0.868 0.846 0.769 CB 1.275 Z: 22 14.004 1.801 0.584 0.432 0.857 0.667 CB 1.341 22 residues pruned to eliminate duplicates Z: 11 17.481 1.919 0.826 0.682 1.000 0.700 CA 1.335 Z: 13 18.155 1.772 0.555 0.831 1.000 0.750 CB 1.430 12 residues pruned to eliminate duplicates Z: 20 13.105 1.848 0.263 0.494 1.000 0.684 CA 1.297 22 residues pruned to eliminate duplicates Z: 13 12.009 1.776 0.549 0.536 0.917 0.667 CB 1.326 13 residues pruned to eliminate duplicates Z: 15 11.706 1.712 0.527 0.855 0.929 0.786 CB 0.951 15 residues pruned to eliminate duplicates Z: 8 8.716 1.726 0.393 0.827 1.000 0.714 CB 1.033 Z: 23 10.151 1.541 0.596 0.426 0.864 0.500 CB 1.099 Z: 37 18.971 1.795 0.553 0.468 0.889 0.444 CB 1.318 37 residues pruned to eliminate duplicates Z: 13 17.339 1.715 0.705 0.917 0.917 0.917 CA 1.318 13 residues pruned to eliminate duplicates Z: 8 12.501 1.733 0.678 0.770 1.000 0.429 CA 1.280 8 residues pruned to eliminate duplicates Z: 14 14.034 1.563 0.725 0.847 1.000 0.769 CB 1.072 Z: 8 12.622 1.594 0.686 0.822 1.000 0.714 O 1.343 Z: 14 11.594 1.538 0.397 0.886 1.000 0.923 CA 1.079 14 residues pruned to eliminate duplicates Z: 15 12.930 1.699 0.750 0.529 0.857 0.643 CB 1.318 Z: 16 16.320 1.835 0.661 0.623 0.933 0.600 CB 1.319 15 residues pruned to eliminate duplicates Z: 12 6.407 1.512 0.484 0.515 0.818 0.727 N 1.037 13 residues pruned to eliminate duplicates Z: 15 12.394 1.687 0.243 0.726 1.000 0.714 CA 1.289 Z: 14 10.560 1.593 0.453 0.864 1.000 0.769 CB 0.927 14 residues pruned to eliminate duplicates Z: 17 13.508 1.636 0.668 0.836 1.000 0.875 CA 0.926 17 residues pruned to eliminate duplicates Z: 13 11.436 1.648 0.605 0.859 0.917 0.750 CB 1.002 8 residues pruned to eliminate duplicates Z: 17 17.882 1.692 1.040 0.691 0.875 0.625 CB 1.243 16 residues pruned to eliminate duplicates Z: 12 13.440 1.755 0.311 0.912 1.000 1.000 CA 1.247 12 residues pruned to eliminate duplicates Z: 48 25.851 1.845 0.605 0.540 0.894 0.617 CA 1.370 38 residues pruned to eliminate duplicates Z: 48 23.283 1.762 0.557 0.568 0.915 0.617 CB 1.267 22 residues pruned to eliminate duplicates Z: 13 12.840 1.608 0.739 0.572 1.000 0.667 CA 1.238 15 residues pruned to eliminate duplicates Z: 11 12.508 1.966 0.126 0.876 1.000 0.900 CB 1.299 11 residues pruned to eliminate duplicates Z: 10 9.236 1.823 0.901 0.597 1.000 0.667 CA 0.810 10 residues pruned to eliminate duplicates Z: 6 5.940 1.471 0.297 0.741 1.000 0.800 CA 1.122 7 residues pruned to eliminate duplicates Z: 12 17.315 1.825 0.980 0.725 0.909 0.727 CB 1.297 11 residues pruned to eliminate duplicates Z: 12 24.084 1.889 1.158 0.748 1.000 0.727 CA 1.428 11 residues pruned to eliminate duplicates Z: 14 7.246 1.561 0.273 0.687 0.846 0.615 CB 1.007 14 residues pruned to eliminate duplicates Z: 9 8.610 1.711 0.069 0.900 1.000 0.875 CB 1.189 9 residues pruned to eliminate duplicates Z: 13 12.536 1.798 0.544 0.714 0.833 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 22 14.467 1.800 0.577 0.579 0.905 0.714 CA 1.140 20 residues pruned to eliminate duplicates Z: 6 6.075 1.620 0.736 0.639 0.800 0.800 N 1.060 Z: 25 14.484 1.719 0.692 0.452 0.958 0.542 CA 1.113 25 residues pruned to eliminate duplicates Z: 6 4.679 1.901 0.422 0.298 0.800 0.400 CB 1.213 6 residues pruned to eliminate duplicates Z: 25 11.172 1.658 0.527 0.398 0.833 0.583 CB 1.204 6 residues pruned to eliminate duplicates Z: 13 12.786 1.695 0.564 0.861 0.833 0.667 CB 1.228 12 residues pruned to eliminate duplicates Z: 14 16.062 1.791 0.761 0.853 1.000 0.769 CA 1.044 16 residues pruned to eliminate duplicates Z: 8 15.297 1.914 0.647 0.870 1.000 0.857 CB 1.339 8 residues pruned to eliminate duplicates Z: 10 11.211 1.677 0.673 0.567 1.000 0.667 CA 1.249 10 residues pruned to eliminate duplicates 7 1.740 1.512 0.167 0.356 0.667 0.500 CB 0.705 ? Z: 13 14.645 1.850 0.551 0.736 1.000 0.667 CA 1.193 11 residues pruned to eliminate duplicates Z: 11 12.354 1.880 0.260 0.896 1.000 1.000 CB 1.182 10 residues pruned to eliminate duplicates Z: 11 6.020 1.603 0.139 0.490 0.900 0.800 CB 1.170 Z: 12 11.939 1.905 0.327 0.813 1.000 0.909 CB 1.084 12 residues pruned to eliminate duplicates Z: 12 12.967 1.734 0.684 0.838 0.909 0.727 CB 1.101 12 residues pruned to eliminate duplicates Z: 6 5.224 1.511 0.579 0.827 0.800 0.800 CB 0.922 Z: 7 3.045 1.455 0.280 0.355 0.667 0.333 CA 1.171 Z: 20 11.611 1.759 0.672 0.482 0.842 0.526 CB 1.095 22 residues pruned to eliminate duplicates Z: 13 11.908 1.786 0.331 0.885 1.000 0.917 CB 1.044 13 residues pruned to eliminate duplicates Z: 20 15.959 1.824 0.662 0.616 0.842 0.737 CB 1.285 20 residues pruned to eliminate duplicates Z: 11 9.750 1.696 0.469 0.786 0.900 0.500 N 1.069 11 residues pruned to eliminate duplicates Z: 9 6.988 1.725 0.262 0.779 0.875 0.625 CB 1.013 9 residues pruned to eliminate duplicates Z: 9 9.493 1.507 0.545 0.778 0.875 0.625 CA 1.289 Z: 7 3.979 1.635 0.543 0.387 0.667 0.500 CB 1.089 7 residues pruned to eliminate duplicates Z: 7 5.663 1.708 0.061 0.735 1.000 0.833 CB 1.033 7 residues pruned to eliminate duplicates Z: 6 6.354 1.867 -0.127 0.847 1.000 1.000 CA 1.294 6 residues pruned to eliminate duplicates Z: 7 11.591 1.753 0.421 0.884 1.000 1.000 CB 1.373 7 residues pruned to eliminate duplicates Z: 16 14.528 1.565 0.653 0.878 1.000 0.800 CB 1.052 Z: 14 12.841 1.704 0.283 0.832 1.000 0.769 CA 1.223 14 residues pruned to eliminate duplicates Z: 13 7.473 1.604 0.511 0.585 0.917 0.583 CB 0.894 13 residues pruned to eliminate duplicates Z: 10 13.845 1.752 0.798 0.887 0.889 0.556 N 1.188 10 residues pruned to eliminate duplicates Z: 11 8.597 1.667 0.364 0.804 0.800 0.700 CB 1.147 Z: 13 10.387 1.687 0.649 0.640 0.917 0.667 CB 1.031 Z: 28 21.233 1.818 0.654 0.606 0.926 0.593 CB 1.327 28 residues pruned to eliminate duplicates Z: 12 19.551 1.809 0.637 0.913 1.000 0.909 CB 1.408 13 residues pruned to eliminate duplicates Z: 25 15.863 1.769 0.443 0.631 0.917 0.792 CB 1.223 25 residues pruned to eliminate duplicates Z: 49 16.656 1.749 0.457 0.454 0.917 0.542 CB 1.079 53 residues pruned to eliminate duplicates Z: 13 11.537 1.700 0.448 0.871 1.000 0.917 CB 0.987 13 residues pruned to eliminate duplicates Z: 14 21.252 1.841 0.770 0.928 1.000 0.923 CB 1.267 14 residues pruned to eliminate duplicates Z: 6 5.155 1.561 0.734 0.585 0.800 0.600 CB 0.981 6 residues pruned to eliminate duplicates Z: 7 9.176 1.825 0.393 0.616 1.000 0.833 CA 1.321 Z: 10 13.773 1.722 0.712 0.851 1.000 0.889 CA 1.153 10 residues pruned to eliminate duplicates Z: 11 12.780 1.708 0.848 0.590 1.000 0.700 CB 1.175 Z: 14 16.974 1.795 0.594 0.873 1.000 0.769 CB 1.198 14 residues pruned to eliminate duplicates Z: 14 9.792 1.615 0.268 0.817 1.000 0.846 CB 1.006 14 residues pruned to eliminate duplicates Z: 8 4.725 1.468 0.416 0.778 1.000 0.857 CA 0.672 7 residues pruned to eliminate duplicates 7 1.300 1.318 0.740 0.250 1.000 0.667 CB 0.309 ? Z: 12 11.162 1.826 0.228 0.891 1.000 1.000 CB 1.079 8 residues pruned to eliminate duplicates Z: 11 21.030 1.983 0.893 0.824 1.000 0.800 CA 1.339 11 residues pruned to eliminate duplicates Z: 13 14.001 1.844 0.623 0.484 0.917 0.583 CB 1.497 7 residues pruned to eliminate duplicates Z: 10 18.061 1.854 0.894 0.788 1.000 0.889 CA 1.332 10 residues pruned to eliminate duplicates Z: 6 3.554 1.370 0.857 0.575 0.800 0.600 CB 0.726 Z: 14 17.393 1.966 0.830 0.630 0.846 0.769 CB 1.402 15 residues pruned to eliminate duplicates Z: 15 7.923 1.658 0.656 0.278 0.786 0.571 CA 1.262 Z: 6 5.685 1.684 0.505 0.762 1.000 1.000 CA 0.795 6 residues pruned to eliminate duplicates Z: 11 13.903 1.673 0.800 0.869 0.900 0.800 CA 1.185 11 residues pruned to eliminate duplicates Z: 8 2.950 1.545 0.408 0.401 0.857 0.571 CA 0.664 Z: 11 7.688 1.595 0.200 0.747 1.000 0.700 CB 1.018 5 residues pruned to eliminate duplicates Z: 6 3.082 1.451 0.610 0.569 0.800 0.400 N 0.690 Z: 13 17.435 1.747 0.562 0.843 1.000 0.667 CB 1.373 13 residues pruned to eliminate duplicates Z: 6 5.276 1.591 0.326 0.749 0.800 0.800 CA 1.119 6 residues pruned to eliminate duplicates Z: 9 12.635 1.770 0.677 0.859 1.000 1.000 CA 1.107 10 residues pruned to eliminate duplicates Z: 13 17.236 1.886 0.761 0.740 1.000 0.917 CA 1.208 13 residues pruned to eliminate duplicates Z: 14 4.279 1.528 0.664 0.334 0.769 0.308 CB 0.727 Z: 9 2.968 1.575 0.142 0.437 1.000 0.500 CB 0.623 Z: 7 5.341 1.735 0.026 0.542 1.000 0.667 CB 1.176 Z: 8 10.965 1.682 0.714 0.719 0.857 0.714 CA 1.376 Z: 17 9.632 1.636 0.842 0.503 0.875 0.562 CB 0.911 17 residues pruned to eliminate duplicates Z: 14 16.479 1.622 0.796 0.847 1.000 0.692 CB 1.165 14 residues pruned to eliminate duplicates Z: 13 6.456 1.669 0.251 0.374 0.750 0.667 CA 1.362 Z: 22 27.140 1.801 1.084 0.612 0.952 0.714 N 1.490 22 residues pruned to eliminate duplicates Z: 28 16.643 1.658 0.626 0.622 0.963 0.741 CB 1.100 26 residues pruned to eliminate duplicates Z: 9 6.725 1.633 0.270 0.603 0.875 0.750 CB 1.188 Z: 11 16.049 1.804 0.653 0.748 1.000 0.800 CB 1.364 12 residues pruned to eliminate duplicates Z: 17 7.162 1.615 0.341 0.372 0.812 0.500 CB 1.167 Z: 13 13.014 1.767 0.541 0.863 1.000 0.750 CB 1.012 13 residues pruned to eliminate duplicates Z: 8 2.714 1.406 0.240 0.268 0.714 0.429 O 1.074 Z: 9 8.792 1.684 0.117 0.896 1.000 1.000 CB 1.183 9 residues pruned to eliminate duplicates Z: 15 20.147 1.704 0.711 0.897 1.000 0.714 CB 1.322 16 residues pruned to eliminate duplicates Z: 22 11.386 1.628 0.455 0.474 0.905 0.667 CB 1.190 Z: 10 10.384 1.620 0.651 0.870 1.000 0.667 CB 0.945 10 residues pruned to eliminate duplicates Z: 32 15.651 1.712 0.547 0.581 0.903 0.581 CB 1.087 11 residues pruned to eliminate duplicates Z: 8 8.047 1.533 0.545 0.826 1.000 0.714 CB 0.968 7 residues pruned to eliminate duplicates Z: 15 19.115 1.795 0.495 0.936 1.000 1.000 CA 1.326 15 residues pruned to eliminate duplicates Z: 6 3.839 1.532 0.596 0.539 0.800 0.400 CB 0.845 Z: 13 9.369 1.795 0.319 0.781 1.000 0.500 CA 0.892 13 residues pruned to eliminate duplicates Z: 13 6.189 1.576 0.172 0.624 0.833 0.583 CB 1.033 12 residues pruned to eliminate duplicates Z: 8 9.915 1.728 0.336 0.901 1.000 1.000 CA 1.159 8 residues pruned to eliminate duplicates Z: 20 10.838 1.762 0.414 0.526 0.947 0.526 CB 1.027 24 residues pruned to eliminate duplicates Z: 10 7.569 1.681 0.287 0.673 0.778 0.556 CB 1.279 10 residues pruned to eliminate duplicates Z: 13 13.424 1.748 0.492 0.906 1.000 0.917 CB 1.056 13 residues pruned to eliminate duplicates 6 1.819 1.233 0.082 0.692 0.800 0.800 CB 0.639 ? Z: 8 3.957 1.420 0.633 0.464 0.857 0.571 CA 0.780 Z: 15 11.957 1.474 0.583 0.842 1.000 0.786 CA 1.021 9 residues pruned to eliminate duplicates Z: 19 9.743 1.730 0.336 0.580 0.889 0.556 CB 1.035 19 residues pruned to eliminate duplicates Z: 13 5.947 1.565 0.322 0.347 0.833 0.500 O 1.175 10 residues pruned to eliminate duplicates Z: 9 6.762 1.577 0.257 0.498 1.000 0.625 CA 1.209 Z: 7 3.375 1.647 0.107 0.509 1.000 0.500 N 0.749 Z: 10 5.517 1.393 0.198 0.796 1.000 0.556 CA 0.851 7 residues pruned to eliminate duplicates Z: 11 14.215 1.625 1.032 0.630 0.900 0.700 CB 1.339 10 residues pruned to eliminate duplicates Z: 20 12.043 1.636 0.550 0.781 0.842 0.684 CB 1.010 13 residues pruned to eliminate duplicates Z: 8 8.562 1.562 0.660 0.867 0.857 0.429 CA 1.065 Z: 12 19.111 1.839 0.639 0.933 1.000 1.000 CA 1.334 12 residues pruned to eliminate duplicates Z: 13 12.257 1.622 0.352 0.811 1.000 0.583 CA 1.231 13 residues pruned to eliminate duplicates Z: 15 12.691 1.673 0.455 0.754 0.857 0.429 CB 1.295 15 residues pruned to eliminate duplicates Z: 13 7.590 1.608 0.029 0.879 1.000 0.833 CB 0.960 13 residues pruned to eliminate duplicates Z: 8 5.553 1.475 0.875 0.361 0.857 0.286 N 1.028 Z: 8 2.793 1.493 0.072 0.469 0.714 0.571 N 0.953 Z: 12 7.904 1.680 0.660 0.644 0.818 0.364 CB 0.913 12 residues pruned to eliminate duplicates Z: 14 12.694 1.759 0.636 0.828 1.000 0.846 CA 0.921 14 residues pruned to eliminate duplicates Z: 9 5.236 1.642 0.494 0.407 0.875 0.500 CB 0.950 Z: 8 9.486 1.700 0.376 0.831 1.000 0.571 CB 1.151 8 residues pruned to eliminate duplicates Z: 6 8.240 1.511 0.672 0.842 1.000 1.000 N 1.087 5 residues pruned to eliminate duplicates Z: 10 8.674 1.597 0.547 0.583 0.889 0.667 CB 1.216 Z: 14 12.330 1.611 0.602 0.828 0.923 0.769 CB 1.081 14 residues pruned to eliminate duplicates 6 1.040 1.241 0.581 0.289 0.400 0.400 O 0.750 ? Z: 11 3.981 1.602 0.010 0.568 0.900 0.800 CB 0.809 Z: 21 10.778 1.669 0.496 0.494 0.850 0.600 CB 1.142 21 residues pruned to eliminate duplicates Z: 13 9.299 1.670 0.519 0.562 1.000 0.750 CB 0.996 13 residues pruned to eliminate duplicates Z: 14 14.703 1.737 0.665 0.813 0.846 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 13 11.292 1.629 0.335 0.828 1.000 0.750 CA 1.129 13 residues pruned to eliminate duplicates Z: 9 10.875 1.666 0.768 0.780 0.875 0.875 CB 1.165 Z: 6 2.747 1.397 0.513 0.418 0.600 0.600 CB 1.056 Z: 16 11.351 1.659 0.455 0.808 0.867 0.600 CB 1.071 16 residues pruned to eliminate duplicates Z: 9 17.169 1.970 0.837 0.714 1.000 1.000 CB 1.382 9 residues pruned to eliminate duplicates Z: 9 3.441 1.368 0.376 0.291 1.000 0.875 CB 0.817 Z: 9 8.580 1.644 0.694 0.629 0.875 0.750 CA 1.102 Z: 11 11.099 1.756 0.694 0.533 0.900 0.900 CB 1.269 13 residues pruned to eliminate duplicates Z: 6 3.903 1.729 -0.097 0.650 0.800 0.800 O 1.216 Z: 13 4.569 1.484 0.548 0.293 0.667 0.500 N 1.086 8 residues pruned to eliminate duplicates Z: 12 9.637 1.430 0.846 0.731 1.000 0.909 N 0.894 Z: 10 18.704 1.819 0.753 0.892 1.000 0.556 N 1.405 20 residues pruned to eliminate duplicates Z: 13 12.515 1.708 0.445 0.789 0.833 0.750 CA 1.362 13 residues pruned to eliminate duplicates Z: 7 3.688 1.473 0.562 0.783 0.833 0.833 CB 0.612 7 residues pruned to eliminate duplicates Z: 10 11.400 1.805 0.701 0.647 0.889 0.778 N 1.214 10 residues pruned to eliminate duplicates Z: 38 17.716 1.796 0.600 0.521 0.865 0.649 CB 1.147 34 residues pruned to eliminate duplicates Z: 8 4.467 1.502 0.271 0.740 0.857 0.571 CB 0.832 8 residues pruned to eliminate duplicates Z: 14 23.545 1.737 1.113 0.928 1.000 0.846 CB 1.246 14 residues pruned to eliminate duplicates Z: 7 8.506 1.548 0.864 0.733 1.000 1.000 CA 0.976 Z: 10 19.138 1.921 1.017 0.871 1.000 0.889 CB 1.201 11 residues pruned to eliminate duplicates Z: 17 12.540 1.728 0.564 0.632 1.000 0.625 CA 1.025 17 residues pruned to eliminate duplicates Z: 7 4.677 1.521 0.185 0.707 1.000 0.833 CB 0.878 Z: 15 22.453 1.749 1.038 0.871 0.929 0.714 CB 1.322 14 residues pruned to eliminate duplicates Z: 6 2.983 1.585 0.204 0.591 0.800 0.600 CB 0.801 6 1.794 1.481 0.350 0.393 0.600 0.400 N 0.748 ? Z: 14 21.403 1.746 1.124 0.809 1.000 0.769 N 1.223 14 residues pruned to eliminate duplicates Z: 12 6.434 1.578 0.203 0.401 1.000 0.818 CB 1.135 11 residues pruned to eliminate duplicates Z: 21 9.131 1.650 0.413 0.486 0.900 0.700 CB 0.987 21 residues pruned to eliminate duplicates Z: 31 22.286 1.792 0.592 0.595 0.933 0.533 CB 1.395 31 residues pruned to eliminate duplicates Z: 7 6.817 1.580 0.264 0.548 1.000 0.500 CB 1.330 8 residues pruned to eliminate duplicates Z: 7 3.254 1.573 0.780 0.340 0.833 0.333 CB 0.678 Z: 8 8.591 1.741 0.617 0.530 1.000 0.429 CA 1.120 8 residues pruned to eliminate duplicates Z: 7 3.208 1.597 0.446 0.804 1.000 0.833 CB 0.435 Z: 9 8.838 1.470 0.673 0.854 1.000 0.750 CA 0.939 Z: 8 7.071 1.612 0.643 0.436 1.000 0.714 CB 1.078 Z: 7 5.838 1.550 0.227 0.587 1.000 0.333 CB 1.152 Z: 6 4.292 1.544 0.472 0.296 1.000 0.400 CB 1.060 Z: 6 2.556 1.501 0.645 0.356 0.600 0.600 CB 0.901 Z: 8 3.567 1.334 0.379 0.477 1.000 0.286 CA 0.750 Z: 6 2.451 1.603 0.443 0.393 0.600 0.600 CA 0.885 6 residues pruned to eliminate duplicates Z: 14 12.381 1.725 0.817 0.464 0.846 0.615 CA 1.343 14 residues pruned to eliminate duplicates Z: 13 13.147 1.560 0.825 0.882 1.000 0.833 CB 0.964 12 residues pruned to eliminate duplicates Z: 32 26.642 1.834 0.759 0.584 0.968 0.677 CB 1.414 32 residues pruned to eliminate duplicates Z: 8 8.244 1.569 0.650 0.734 1.000 0.714 CB 0.975 Z: 19 12.176 1.711 0.558 0.604 0.889 0.778 CB 1.098 19 residues pruned to eliminate duplicates Z: 8 8.343 1.650 0.382 0.788 1.000 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 22 14.915 1.657 0.953 0.452 0.905 0.619 CB 1.169 13 residues pruned to eliminate duplicates Z: 7 8.824 1.797 0.237 0.871 0.833 0.667 CB 1.419 7 residues pruned to eliminate duplicates Z: 14 14.956 1.729 0.559 0.794 1.000 0.462 CB 1.190 14 residues pruned to eliminate duplicates Z: 10 13.356 1.599 0.820 0.889 1.000 0.889 N 1.101 10 residues pruned to eliminate duplicates Z: 9 10.651 1.581 0.658 0.846 1.000 0.625 CA 1.067 9 residues pruned to eliminate duplicates Z: 9 9.536 1.699 0.711 0.768 1.000 0.625 CB 0.915 11 residues pruned to eliminate duplicates Z: 15 16.649 1.870 0.765 0.631 0.929 0.643 CB 1.284 15 residues pruned to eliminate duplicates Z: 14 10.567 1.455 0.721 0.865 1.000 0.538 CA 0.857 14 residues pruned to eliminate duplicates 7 1.867 1.449 0.385 0.298 0.833 0.667 CB 0.571 ? Z: 9 5.908 1.475 0.447 0.422 0.875 0.750 O 1.212 Z: 9 8.476 1.543 0.512 0.848 0.875 0.875 CB 1.089 Z: 14 16.534 1.633 0.684 0.894 1.000 0.846 N 1.196 14 residues pruned to eliminate duplicates Z: 9 5.536 1.524 0.669 0.715 0.750 0.375 CB 0.845 9 residues pruned to eliminate duplicates Z: 15 10.664 1.608 0.529 0.772 0.929 0.714 CA 0.981 15 residues pruned to eliminate duplicates Z: 11 14.226 1.745 0.438 0.870 1.000 1.000 CA 1.308 11 residues pruned to eliminate duplicates Z: 12 10.227 1.666 0.561 0.827 0.909 0.909 CB 0.983 12 residues pruned to eliminate duplicates Z: 10 14.722 1.619 1.164 0.706 1.000 0.889 CB 1.162 Z: 10 5.073 1.564 0.611 0.424 0.667 0.444 CB 1.090 Z: 13 16.299 1.761 0.713 0.913 1.000 0.750 CB 1.103 16 residues pruned to eliminate duplicates 6 1.433 1.374 0.264 0.233 0.600 0.200 C 0.838 ? Z: 9 8.166 1.487 0.519 0.846 0.875 0.625 N 1.085 9 residues pruned to eliminate duplicates Z: 14 19.342 1.762 0.650 0.886 1.000 0.846 CB 1.332 14 residues pruned to eliminate duplicates Z: 8 8.736 1.662 0.389 0.836 0.857 0.571 CA 1.250 17 residues pruned to eliminate duplicates Z: 44 20.052 1.746 0.558 0.539 0.884 0.674 CB 1.224 54 residues pruned to eliminate duplicates Z: 10 7.199 1.483 0.907 0.683 0.778 0.778 CB 0.923 10 residues pruned to eliminate duplicates Z: 9 10.232 1.635 0.937 0.789 1.000 0.875 CB 0.887 9 residues pruned to eliminate duplicates Z: 10 14.577 1.701 0.681 0.875 1.000 0.889 CB 1.236 16 residues pruned to eliminate duplicates Z: 7 2.649 1.574 0.039 0.381 0.667 0.500 N 1.126 7 residues pruned to eliminate duplicates Z: 9 3.196 1.420 0.359 0.688 1.000 0.625 CB 0.493 Z: 9 7.703 1.619 0.245 0.845 1.000 0.625 CA 1.004 8 residues pruned to eliminate duplicates Z: 7 6.648 1.534 1.082 0.447 1.000 0.500 CA 0.897 Z: 9 9.657 1.710 0.681 0.630 0.875 0.625 CA 1.201 Z: 11 6.288 1.536 0.314 0.779 0.900 0.500 CB 0.856 11 residues pruned to eliminate duplicates Z: 13 15.918 1.691 1.017 0.835 0.917 0.833 CB 1.101 10 residues pruned to eliminate duplicates Z: 7 3.660 1.661 0.214 0.862 0.833 0.833 CB 0.653 Z: 15 13.116 1.687 0.288 0.775 0.929 0.643 CB 1.363 15 residues pruned to eliminate duplicates Z: 12 11.461 1.571 0.697 0.885 1.000 0.727 CB 0.936 12 residues pruned to eliminate duplicates Z: 15 8.969 1.516 0.412 0.768 0.786 0.429 CA 1.124 14 residues pruned to eliminate duplicates Z: 15 14.256 1.794 0.676 0.828 1.000 0.714 CA 0.955 15 residues pruned to eliminate duplicates Z: 37 15.675 1.593 0.622 0.462 0.917 0.444 CB 1.147 37 residues pruned to eliminate duplicates Z: 13 21.896 1.824 0.766 0.903 1.000 0.917 CB 1.399 14 residues pruned to eliminate duplicates Z: 8 3.658 1.625 0.206 0.752 0.857 0.857 CB 0.657 9 1.616 1.392 0.543 0.203 0.500 0.250 CB 0.757 ? Z: 6 4.291 1.377 0.396 0.664 0.800 0.800 O 1.072 Z: 29 13.444 1.685 0.440 0.416 0.893 0.393 CA 1.281 29 residues pruned to eliminate duplicates Z: 6 5.399 1.798 0.219 0.522 0.800 0.600 CB 1.347 Z: 10 8.928 1.553 0.700 0.749 0.889 0.778 CA 1.015 10 residues pruned to eliminate duplicates Z: 33 14.719 1.699 0.535 0.518 0.938 0.500 CB 1.046 33 residues pruned to eliminate duplicates Z: 10 3.417 1.517 0.249 0.328 0.667 0.444 CB 1.089 10 residues pruned to eliminate duplicates Z: 7 4.867 1.621 0.780 0.596 0.833 0.667 CB 0.754 Z: 6 3.317 1.316 0.434 0.837 1.000 0.800 CB 0.588 6 residues pruned to eliminate duplicates Z: 7 3.944 1.459 0.440 0.654 0.833 0.833 N 0.796 Z: 11 14.161 1.744 0.769 0.773 1.000 0.800 CB 1.139 11 residues pruned to eliminate duplicates Z: 16 14.027 1.671 0.772 0.673 0.867 0.733 N 1.203 16 residues pruned to eliminate duplicates Z: 22 10.208 1.821 0.561 0.373 0.857 0.571 CB 1.047 22 residues pruned to eliminate duplicates Z: 7 3.670 1.668 0.154 0.701 1.000 0.667 CB 0.648 Z: 10 5.805 1.463 0.946 0.439 0.778 0.667 CB 0.931 11 residues pruned to eliminate duplicates Z: 13 11.748 1.766 0.771 0.545 0.833 0.667 N 1.246 13 residues pruned to eliminate duplicates Z: 20 15.124 1.794 0.907 0.453 0.895 0.526 CB 1.189 21 residues pruned to eliminate duplicates Z: 10 7.187 1.697 0.587 0.539 0.889 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 31 16.055 1.739 0.438 0.442 0.933 0.533 CB 1.333 39 residues pruned to eliminate duplicates Z: 15 14.420 1.576 0.827 0.822 0.929 0.786 CB 1.090 14 residues pruned to eliminate duplicates Z: 17 15.511 1.601 0.843 0.814 0.938 0.688 CA 1.067 17 residues pruned to eliminate duplicates Z: 7 7.512 1.702 0.317 0.811 0.833 0.667 CA 1.252 Z: 10 4.057 1.388 0.979 0.201 0.778 0.333 CB 0.903 10 residues pruned to eliminate duplicates Z: 7 4.823 1.704 0.646 0.849 1.000 0.833 CB 0.520 6 residues pruned to eliminate duplicates Z: 6 4.681 1.538 0.505 0.667 0.800 0.800 N 0.969 Z: 14 21.949 1.849 0.789 0.931 1.000 0.923 CB 1.286 14 residues pruned to eliminate duplicates Z: 8 11.514 1.680 0.694 0.815 0.857 0.714 CB 1.356 26 residues pruned to eliminate duplicates Z: 14 14.140 1.779 0.395 0.881 1.000 0.846 CB 1.144 14 residues pruned to eliminate duplicates Z: 11 8.883 1.494 0.791 0.744 0.900 0.700 CB 0.938 11 residues pruned to eliminate duplicates Z: 10 6.672 1.358 0.668 0.825 0.889 0.556 CB 0.834 Z: 6 4.651 1.490 0.396 0.707 0.800 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 16 18.088 1.791 0.862 0.645 0.867 0.667 CB 1.412 16 residues pruned to eliminate duplicates Z: 14 12.581 1.796 0.861 0.548 0.769 0.692 N 1.294 14 residues pruned to eliminate duplicates Z: 23 15.117 1.803 0.559 0.527 0.818 0.545 CB 1.364 23 residues pruned to eliminate duplicates Z: 34 15.420 1.747 0.626 0.448 0.879 0.455 CB 1.134 34 residues pruned to eliminate duplicates Z: 8 3.726 1.421 0.099 0.772 0.714 0.571 CA 0.992 8 residues pruned to eliminate duplicates Z: 14 9.984 1.512 0.525 0.886 0.923 0.769 CB 0.939 14 residues pruned to eliminate duplicates Z: 9 8.735 1.461 0.692 0.870 1.000 0.500 CB 0.912 9 residues pruned to eliminate duplicates Z: 14 9.580 1.529 0.738 0.547 0.846 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 7 4.480 1.641 0.783 0.674 1.000 0.833 CB 0.533 6 residues pruned to eliminate duplicates Z: 6 3.646 1.591 0.145 0.639 1.000 0.800 CB 0.786 Z: 35 20.515 1.727 0.702 0.641 0.912 0.529 CB 1.151 35 residues pruned to eliminate duplicates Z: 24 10.149 1.666 0.440 0.454 0.913 0.565 CA 1.013 24 residues pruned to eliminate duplicates Z: 13 9.501 1.599 0.197 0.854 1.000 0.917 CB 1.059 13 residues pruned to eliminate duplicates Z: 7 2.811 1.494 0.512 0.269 0.833 0.333 CB 0.792 Z: 7 5.438 1.823 0.427 0.892 1.000 1.000 CB 0.613 7 residues pruned to eliminate duplicates Z: 8 4.115 1.341 0.512 0.656 0.857 0.714 CB 0.774 Z: 15 15.508 1.866 0.859 0.618 0.857 0.714 CB 1.246 15 residues pruned to eliminate duplicates Z: 7 6.008 1.307 0.815 0.795 1.000 0.833 N 0.798 Z: 14 11.511 1.668 0.168 0.792 1.000 0.538 CB 1.268 14 residues pruned to eliminate duplicates Z: 6 3.568 1.407 0.807 0.465 1.000 0.400 CB 0.650 Z: 6 8.487 1.786 0.375 0.797 1.000 0.800 CA 1.191 6 residues pruned to eliminate duplicates Z: 6 3.036 1.517 0.202 0.418 0.800 0.400 CB 1.014 Z: 29 16.201 1.726 0.562 0.432 0.893 0.536 CB 1.365 29 residues pruned to eliminate duplicates Z: 13 18.374 1.716 0.681 0.798 1.000 0.750 CA 1.416 13 residues pruned to eliminate duplicates Z: 18 18.315 1.936 0.711 0.631 0.941 0.588 CB 1.259 18 residues pruned to eliminate duplicates Z: 16 9.763 1.724 0.440 0.586 0.933 0.867 CB 1.002 16 residues pruned to eliminate duplicates 7 1.446 1.225 0.020 0.155 0.833 0.500 CA 0.865 ? Z: 9 6.675 1.455 0.832 0.351 0.875 0.375 CB 1.189 Z: 6 4.814 1.685 0.549 0.426 0.800 0.600 CB 1.113 Z: 7 4.822 1.409 0.385 0.530 0.833 0.833 N 1.174 Z: 6 3.013 1.705 -0.130 0.844 1.000 0.800 CB 0.676 6 residues pruned to eliminate duplicates Z: 15 9.575 1.525 0.367 0.794 0.929 0.571 CB 1.022 15 residues pruned to eliminate duplicates Z: 6 5.276 1.487 0.514 0.836 0.800 0.800 N 0.981 6 residues pruned to eliminate duplicates Z: 10 6.905 1.467 0.671 0.805 1.000 0.778 CB 0.720 9 residues pruned to eliminate duplicates Z: 10 7.392 1.713 0.128 0.906 1.000 1.000 CB 0.907 10 residues pruned to eliminate duplicates Z: 15 17.053 1.655 0.809 0.821 1.000 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 7 6.074 1.603 0.598 0.639 0.833 0.667 N 1.020 7 residues pruned to eliminate duplicates Z: 7 4.132 1.536 0.188 0.744 1.000 0.833 CB 0.743 Z: 8 2.292 1.385 0.154 0.245 0.857 0.429 CB 0.848 Z: 7 5.757 1.390 0.323 0.834 1.000 1.000 CB 0.958 8 residues pruned to eliminate duplicates Z: 10 4.587 1.430 0.262 0.665 0.889 0.778 CB 0.819 Z: 7 2.050 1.458 0.644 0.247 0.500 0.333 CB 0.934 Z: 25 10.320 1.720 0.246 0.369 0.917 0.500 CA 1.234 25 residues pruned to eliminate duplicates 6 1.807 1.291 0.311 0.315 0.600 0.600 CB 0.976 ? 7 1.612 1.297 0.540 0.093 0.833 0.333 CB 0.668 ? Z: 11 5.279 1.471 0.395 0.519 0.700 0.400 N 1.139 11 residues pruned to eliminate duplicates Z: 10 8.591 1.628 0.437 0.540 1.000 0.667 CA 1.177 Z: 10 6.092 1.488 0.738 0.473 0.778 0.667 CB 1.038 Z: 7 5.069 1.716 0.218 0.599 0.833 0.667 CB 1.081 6 1.805 1.235 0.130 0.292 0.800 0.600 CB 0.913 ? Z: 12 11.926 1.662 0.685 0.772 0.909 0.818 CB 1.110 13 residues pruned to eliminate duplicates Z: 13 13.696 1.746 0.559 0.813 0.917 0.417 N 1.207 13 residues pruned to eliminate duplicates Z: 9 7.230 1.555 0.442 0.521 1.000 0.500 N 1.117 9 residues pruned to eliminate duplicates 6 1.000 1.035 0.100 0.410 0.800 0.600 CA 0.540 ? 8 1.989 1.310 0.187 0.272 0.571 0.286 O 1.096 ? Z: 6 4.463 1.534 0.404 0.489 0.800 0.800 CB 1.172 Z: 19 10.008 1.576 0.317 0.411 0.944 0.500 CB 1.321 19 residues pruned to eliminate duplicates Z: 7 2.565 1.482 0.145 0.412 0.833 0.500 CB 0.812 Z: 16 12.264 1.650 0.616 0.471 0.867 0.533 CB 1.411 22 residues pruned to eliminate duplicates Z: 11 21.907 1.922 0.939 0.828 1.000 1.000 CA 1.400 12 residues pruned to eliminate duplicates Z: 7 8.525 1.646 0.423 0.754 0.833 0.500 O 1.421 Z: 15 9.344 1.545 0.328 0.752 0.929 0.571 CB 1.047 15 residues pruned to eliminate duplicates 7 1.363 1.301 0.169 0.331 0.833 0.500 CB 0.528 ? Z: 6 5.015 1.636 0.276 0.639 0.800 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 10 9.773 1.744 0.182 0.911 1.000 1.000 CB 1.120 10 residues pruned to eliminate duplicates Z: 23 13.783 1.740 0.573 0.536 0.909 0.591 CB 1.140 23 residues pruned to eliminate duplicates Z: 6 4.075 1.620 0.145 0.433 1.000 0.600 CB 1.053 Z: 9 3.410 1.448 0.964 0.324 0.625 0.375 CA 0.823 Z: 23 13.361 1.727 0.604 0.475 0.909 0.682 CA 1.160 24 residues pruned to eliminate duplicates Z: 9 2.670 1.321 0.429 0.299 0.750 0.500 N 0.834 Z: 26 12.809 1.730 0.444 0.377 0.880 0.560 CB 1.329 26 residues pruned to eliminate duplicates Z: 14 6.452 1.729 0.311 0.386 0.846 0.538 CB 1.053 14 residues pruned to eliminate duplicates Z: 14 14.221 1.595 0.747 0.906 1.000 0.923 CB 1.006 14 residues pruned to eliminate duplicates Z: 7 4.437 1.208 0.799 0.755 0.833 0.667 N 0.797 6 residues pruned to eliminate duplicates Z: 10 3.390 1.430 0.749 0.240 0.667 0.556 CB 0.916 Z: 9 5.027 1.484 0.458 0.527 0.875 0.625 CB 0.914 Z: 14 13.682 1.771 0.506 0.535 1.000 0.769 CA 1.374 14 residues pruned to eliminate duplicates Z: 8 6.388 1.446 0.491 0.728 1.000 0.571 N 0.911 8 residues pruned to eliminate duplicates Z: 9 7.272 1.533 0.730 0.694 0.875 0.750 CB 0.928 9 residues pruned to eliminate duplicates Z: 12 3.244 1.476 0.421 0.394 0.636 0.364 CB 0.820 12 residues pruned to eliminate duplicates Z: 11 10.191 1.688 0.486 0.813 0.900 0.700 CB 1.087 11 residues pruned to eliminate duplicates 6 1.268 1.252 0.286 0.297 0.600 0.600 O 0.737 ? Z: 8 5.316 1.312 0.509 0.707 0.857 0.714 O 0.980 Z: 8 4.980 1.260 0.436 0.639 1.000 0.429 N 0.913 Z: 11 3.422 1.462 0.348 0.439 0.900 0.500 CB 0.650 9 residues pruned to eliminate duplicates Z: 9 6.753 1.611 0.806 0.634 0.875 0.500 CA 0.827 9 residues pruned to eliminate duplicates 6 1.658 1.354 0.089 0.275 1.000 0.600 CB 0.649 ? Z: 17 17.325 1.626 0.500 0.830 1.000 0.938 CB 1.335 19 residues pruned to eliminate duplicates Z: 13 10.489 1.642 0.251 0.903 1.000 0.917 CB 1.050 13 residues pruned to eliminate duplicates Z: 30 17.451 1.719 0.660 0.564 0.931 0.655 CB 1.147 42 residues pruned to eliminate duplicates Z: 17 7.639 1.613 0.238 0.431 0.875 0.625 CA 1.173 17 residues pruned to eliminate duplicates Z: 7 2.547 1.665 0.036 0.435 1.000 0.500 CB 0.645 Z: 9 3.850 1.489 0.549 0.454 0.750 0.625 CA 0.825 Z: 8 5.731 1.391 0.482 0.800 0.857 0.714 CA 0.942 8 residues pruned to eliminate duplicates Z: 12 11.702 1.677 0.475 0.608 1.000 0.636 CA 1.288 17 residues pruned to eliminate duplicates Z: 8 5.667 1.565 0.427 0.550 1.000 0.714 CB 0.913 Z: 9 8.919 1.468 0.636 0.717 1.000 0.750 CA 1.079 9 residues pruned to eliminate duplicates Z: 11 6.878 1.514 0.468 0.744 0.800 0.600 CA 0.983 11 residues pruned to eliminate duplicates Z: 21 10.383 1.666 0.496 0.542 0.850 0.650 CA 1.052 19 residues pruned to eliminate duplicates Z: 16 9.344 1.632 0.260 0.712 0.800 0.600 CA 1.210 16 residues pruned to eliminate duplicates Z: 6 3.464 1.769 0.314 0.614 0.600 0.200 CB 0.997 6 residues pruned to eliminate duplicates Z: 12 10.872 1.753 0.196 0.809 0.909 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 8 4.886 1.592 0.444 0.386 0.714 0.714 CA 1.270 Z: 8 11.267 1.788 0.219 0.911 1.000 1.000 CB 1.385 8 residues pruned to eliminate duplicates Z: 6 3.660 1.511 0.023 0.804 0.800 0.800 CB 1.015 6 residues pruned to eliminate duplicates Z: 8 3.450 1.276 0.578 0.729 0.857 0.714 CB 0.615 Z: 8 2.081 1.338 0.289 0.413 0.714 0.429 CB 0.699 Z: 12 10.654 1.640 0.476 0.813 0.909 0.818 CA 1.111 12 residues pruned to eliminate duplicates Z: 9 8.584 1.498 0.676 0.848 1.000 1.000 CB 0.897 9 residues pruned to eliminate duplicates Z: 7 5.345 1.480 0.636 0.538 1.000 0.667 CA 0.868 Z: 22 10.054 1.561 0.417 0.488 0.952 0.619 CB 1.054 12 residues pruned to eliminate duplicates Z: 7 5.498 1.667 0.179 0.782 0.667 0.167 N 1.336 7 residues pruned to eliminate duplicates Z: 8 4.474 1.179 0.358 0.859 0.857 0.571 CB 0.907 6 residues pruned to eliminate duplicates Z: 9 4.452 1.596 0.461 0.557 0.750 0.625 N 0.851 9 residues pruned to eliminate duplicates Z: 8 3.904 1.584 0.517 0.416 0.857 0.571 CB 0.782 8 residues pruned to eliminate duplicates Z: 17 14.027 1.646 0.680 0.768 1.000 0.688 CA 1.000 17 residues pruned to eliminate duplicates Z: 8 3.857 1.608 0.412 0.300 0.857 0.429 N 0.937 Z: 8 3.532 1.499 0.067 0.560 0.714 0.429 N 1.102 Z: 12 10.156 1.620 0.519 0.606 0.818 0.636 C 1.375 12 residues pruned to eliminate duplicates Z: 13 11.260 1.704 0.678 0.419 0.917 0.500 CA 1.350 22 residues pruned to eliminate duplicates Z: 12 9.022 1.513 0.197 0.893 1.000 0.818 CB 1.079 10 residues pruned to eliminate duplicates Z: 18 12.572 1.675 0.546 0.606 0.824 0.588 N 1.294 18 residues pruned to eliminate duplicates Z: 6 4.381 1.259 0.747 0.736 1.000 0.800 CB 0.721 Z: 7 2.153 1.158 0.346 0.362 0.833 0.500 CB 0.785 Z: 20 11.857 1.817 0.469 0.526 0.895 0.737 CA 1.110 20 residues pruned to eliminate duplicates Z: 11 3.873 1.351 0.824 0.306 0.600 0.400 CB 1.028 11 residues pruned to eliminate duplicates Z: 7 5.168 1.434 0.505 0.835 0.833 0.500 CB 0.879 Z: 21 12.364 1.713 0.405 0.763 0.950 0.750 CB 0.957 21 residues pruned to eliminate duplicates Z: 9 5.051 1.391 0.726 0.517 0.750 0.500 CB 0.975 Z: 8 3.601 1.537 0.237 0.418 0.857 0.571 CB 0.909 Z: 7 2.375 1.595 0.279 0.230 0.667 0.500 CB 0.977 Z: 15 4.973 1.633 0.040 0.513 0.857 0.429 CB 0.901 14 residues pruned to eliminate duplicates Z: 10 6.653 1.747 0.458 0.540 0.889 0.778 CB 0.942 10 residues pruned to eliminate duplicates 6 1.222 1.185 -0.176 0.698 1.000 0.800 CB 0.467 ? Z: 10 16.304 1.925 0.537 0.859 1.000 0.889 CB 1.351 12 residues pruned to eliminate duplicates 8 1.599 1.379 0.637 0.223 0.571 0.571 CB 0.648 ? Z: 13 22.797 1.835 0.865 0.904 1.000 0.917 CA 1.369 13 residues pruned to eliminate duplicates Z: 14 8.899 1.461 0.693 0.822 0.923 0.615 CB 0.817 16 residues pruned to eliminate duplicates Z: 8 4.054 1.447 0.088 0.415 0.857 0.857 O 1.242 8 residues pruned to eliminate duplicates 6 1.406 1.393 0.337 0.329 0.600 0.400 CB 0.679 ? Z: 7 3.941 1.511 0.463 0.310 0.833 0.500 CB 1.078 Z: 12 6.064 1.504 0.437 0.392 1.000 0.636 CB 0.949 Z: 15 10.989 1.576 0.417 0.775 1.000 0.571 CB 1.032 15 residues pruned to eliminate duplicates 8 1.908 1.536 0.763 0.321 0.714 0.429 CB 0.454 ? Z: 9 12.121 1.586 0.708 0.843 1.000 0.500 N 1.178 6 residues pruned to eliminate duplicates Z: 6 2.195 1.340 0.370 0.297 0.600 0.400 CB 1.118 Z: 11 6.731 1.612 0.231 0.442 1.000 0.700 CA 1.139 11 residues pruned to eliminate duplicates Z: 9 13.279 1.799 0.691 0.836 1.000 0.625 CB 1.155 Using tripeptides from previous cycle as seeds Z: 7 4.853 1.550 0.564 0.655 1.000 0.667 CB 0.707 5 residues pruned to eliminate duplicates Z: 7 5.043 1.623 0.160 0.761 1.000 0.833 CB 0.866 8 residues pruned to eliminate duplicates Z: 8 3.517 1.616 0.322 0.829 0.857 0.857 CB 0.546 8 residues pruned to eliminate duplicates Z: 9 6.507 1.651 0.318 0.690 0.875 0.750 CB 1.015 8 residues pruned to eliminate duplicates Z: 8 6.811 1.675 0.327 0.805 1.000 0.857 CB 0.888 8 residues pruned to eliminate duplicates Z: 10 8.295 1.586 0.419 0.731 1.000 0.889 CB 0.997 10 residues pruned to eliminate duplicates Z: 8 6.807 1.563 0.196 0.753 1.000 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 12 4.467 1.488 0.187 0.360 0.727 0.545 CB 1.220 7 residues pruned to eliminate duplicates Z: 6 3.914 1.277 0.595 0.404 1.000 0.200 N 0.951 Z: 7 4.448 1.428 1.043 0.392 0.667 0.500 CB 1.046 7 residues pruned to eliminate duplicates Z: 67 21.635 1.729 0.599 0.478 0.909 0.606 CB 1.083 78 residues pruned to eliminate duplicates Z: 7 2.258 1.309 1.090 0.280 0.667 0.500 CA 0.648 7 residues pruned to eliminate duplicates Z: 26 15.962 1.765 0.789 0.441 0.960 0.800 CA 1.119 26 residues pruned to eliminate duplicates Z: 23 12.834 1.783 0.938 0.395 0.909 0.545 CA 0.973 23 residues pruned to eliminate duplicates Z: 30 16.330 1.745 0.776 0.436 0.931 0.690 CA 1.123 30 residues pruned to eliminate duplicates Z: 32 13.174 1.682 0.587 0.455 0.935 0.677 CB 0.992 32 residues pruned to eliminate duplicates Z: 16 11.030 1.841 0.894 0.350 0.867 0.533 CA 1.108 16 residues pruned to eliminate duplicates Z: 28 15.906 1.776 0.666 0.463 0.889 0.704 CA 1.209 28 residues pruned to eliminate duplicates Z: 10 10.616 1.786 0.967 0.619 1.000 0.889 CA 0.900 10 residues pruned to eliminate duplicates Z: 22 12.794 1.703 0.461 0.648 0.905 0.857 CB 1.080 22 residues pruned to eliminate duplicates Z: 33 19.501 1.741 0.706 0.611 0.969 0.781 CA 1.079 33 residues pruned to eliminate duplicates Z: 23 13.194 1.742 0.616 0.527 0.909 0.636 CA 1.069 23 residues pruned to eliminate duplicates Z: 27 14.954 1.758 0.610 0.468 0.923 0.577 CB 1.160 27 residues pruned to eliminate duplicates Z: 19 11.502 1.699 0.489 0.550 1.000 0.778 CA 1.021 19 residues pruned to eliminate duplicates Z: 23 14.827 1.701 0.689 0.570 0.955 0.636 CA 1.078 23 residues pruned to eliminate duplicates Z: 10 5.475 1.640 0.421 0.446 0.889 0.333 CB 0.931 10 residues pruned to eliminate duplicates Z: 21 10.563 1.720 0.668 0.500 0.900 0.500 CB 0.915 21 residues pruned to eliminate duplicates Z: 24 9.996 1.643 0.462 0.467 0.913 0.652 CB 0.983 24 residues pruned to eliminate duplicates Z: 12 7.263 1.707 0.534 0.422 0.909 0.636 CB 0.998 12 residues pruned to eliminate duplicates Z: 21 16.146 1.769 0.838 0.564 0.950 0.700 CA 1.098 21 residues pruned to eliminate duplicates Z: 25 13.858 1.684 0.581 0.626 0.958 0.833 CB 0.985 25 residues pruned to eliminate duplicates Z: 24 12.672 1.686 0.535 0.539 1.000 0.739 CA 0.983 24 residues pruned to eliminate duplicates Z: 27 16.562 1.699 0.611 0.704 0.962 0.654 CB 1.025 27 residues pruned to eliminate duplicates Z: 63 26.987 1.779 0.735 0.544 0.887 0.581 CB 1.199 61 residues pruned to eliminate duplicates Z: 12 10.165 1.540 0.610 0.931 1.000 1.000 CA 0.863 12 residues pruned to eliminate duplicates Z: 13 13.290 1.665 0.689 0.841 0.917 0.750 CB 1.110 13 residues pruned to eliminate duplicates Z: 46 22.690 1.717 0.832 0.548 0.911 0.667 CA 1.126 46 residues pruned to eliminate duplicates Z: 12 12.872 1.571 0.883 0.849 1.000 0.545 CB 0.973 12 residues pruned to eliminate duplicates Z: 41 23.529 1.793 0.632 0.561 0.950 0.725 CB 1.262 39 residues pruned to eliminate duplicates Z: 29 18.456 1.592 0.800 0.781 0.929 0.714 CB 1.023 29 residues pruned to eliminate duplicates Z: 32 22.831 1.867 0.674 0.567 0.935 0.581 CB 1.315 32 residues pruned to eliminate duplicates Z: 32 14.530 1.736 0.455 0.588 0.839 0.419 CB 1.132 32 residues pruned to eliminate duplicates Z: 20 9.523 1.534 0.337 0.503 0.895 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 33 22.983 1.803 0.705 0.647 0.938 0.625 CB 1.230 33 residues pruned to eliminate duplicates Z: 33 25.616 1.817 0.659 0.593 0.969 0.531 CA 1.419 33 residues pruned to eliminate duplicates Z: 13 20.229 1.872 0.675 0.843 1.000 0.583 CB 1.387 13 residues pruned to eliminate duplicates Z: 13 9.007 1.629 0.394 0.628 0.917 0.583 CB 1.108 13 residues pruned to eliminate duplicates Z: 32 22.426 1.854 0.664 0.548 0.935 0.613 CB 1.332 32 residues pruned to eliminate duplicates Z: 61 27.022 1.758 0.679 0.526 0.900 0.600 CA 1.280 61 residues pruned to eliminate duplicates Z: 25 20.318 1.890 0.603 0.557 0.958 0.792 CB 1.351 25 residues pruned to eliminate duplicates Z: 27 24.374 1.847 0.626 0.650 0.962 0.654 CA 1.439 27 residues pruned to eliminate duplicates Z: 32 23.218 1.805 0.579 0.577 1.000 0.484 CB 1.358 32 residues pruned to eliminate duplicates Z: 34 24.994 1.859 0.513 0.564 1.000 0.515 CA 1.453 34 residues pruned to eliminate duplicates Z: 31 22.840 1.817 0.634 0.589 0.900 0.533 CB 1.434 31 residues pruned to eliminate duplicates Z: 29 17.115 1.805 0.712 0.498 0.893 0.464 CB 1.175 29 residues pruned to eliminate duplicates Z: 28 22.113 1.797 0.636 0.654 0.963 0.519 CB 1.303 28 residues pruned to eliminate duplicates Z: 32 24.894 1.899 0.636 0.584 0.935 0.581 CB 1.419 32 residues pruned to eliminate duplicates Z: 55 27.821 1.803 0.695 0.514 0.926 0.463 CB 1.320 54 residues pruned to eliminate duplicates Z: 6 3.999 1.390 0.830 0.491 0.800 0.800 CA 0.887 6 residues pruned to eliminate duplicates Z: 33 21.517 1.756 0.651 0.551 0.938 0.531 CB 1.331 33 residues pruned to eliminate duplicates Z: 19 17.745 1.837 0.833 0.399 0.944 0.500 CB 1.463 19 residues pruned to eliminate duplicates Z: 39 19.108 1.762 0.533 0.487 0.868 0.447 CB 1.340 39 residues pruned to eliminate duplicates Z: 28 17.045 1.781 0.615 0.476 0.889 0.630 CB 1.315 28 residues pruned to eliminate duplicates Z: 43 24.266 1.792 0.587 0.479 0.976 0.500 CB 1.378 44 residues pruned to eliminate duplicates Z: 6 3.852 1.380 0.932 0.367 0.800 0.600 CA 0.932 6 residues pruned to eliminate duplicates Z: 34 20.196 1.833 0.684 0.506 0.818 0.606 CB 1.384 34 residues pruned to eliminate duplicates Z: 36 24.003 1.798 0.691 0.529 0.943 0.514 CB 1.376 36 residues pruned to eliminate duplicates Z: 34 25.184 1.833 0.709 0.558 0.939 0.636 CB 1.408 34 residues pruned to eliminate duplicates Z: 12 2.180 1.347 0.556 0.068 0.545 0.364 C 1.013 4 residues pruned to eliminate duplicates Z: 7 7.699 1.488 1.400 0.445 0.833 0.333 CB 1.117 7 residues pruned to eliminate duplicates Z: 12 12.218 1.727 0.805 0.785 0.909 0.818 CB 1.011 12 residues pruned to eliminate duplicates Z: 11 10.035 1.590 0.690 0.643 0.800 0.700 N 1.292 11 residues pruned to eliminate duplicates Z: 15 8.367 1.542 0.716 0.675 0.857 0.714 CB 0.839 15 residues pruned to eliminate duplicates Z: 10 12.151 1.695 0.910 0.765 0.889 0.889 CB 1.113 10 residues pruned to eliminate duplicates Z: 14 15.845 1.725 0.537 0.767 1.000 0.769 CB 1.308 14 residues pruned to eliminate duplicates Z: 13 16.981 1.763 0.671 0.831 1.000 0.917 CB 1.249 13 residues pruned to eliminate duplicates Z: 13 18.243 1.805 0.883 0.846 0.917 0.667 CB 1.256 13 residues pruned to eliminate duplicates Z: 25 13.582 1.601 0.480 0.564 0.875 0.708 N 1.257 25 residues pruned to eliminate duplicates Z: 14 16.672 1.749 0.738 0.738 1.000 0.615 CB 1.228 14 residues pruned to eliminate duplicates Z: 25 18.761 1.741 0.872 0.664 0.917 0.792 CB 1.101 25 residues pruned to eliminate duplicates Z: 13 15.394 1.749 0.842 0.810 0.917 0.833 CB 1.148 13 residues pruned to eliminate duplicates Z: 16 14.078 1.697 0.818 0.676 0.933 0.600 CB 1.074 16 residues pruned to eliminate duplicates Z: 14 18.683 1.775 0.761 0.726 1.000 0.769 CB 1.352 14 residues pruned to eliminate duplicates Z: 25 18.478 1.734 0.752 0.672 0.917 0.750 CB 1.156 25 residues pruned to eliminate duplicates Z: 24 17.354 1.758 0.520 0.636 0.957 0.783 CB 1.246 24 residues pruned to eliminate duplicates Z: 25 16.218 1.750 0.495 0.605 0.917 0.667 CB 1.250 25 residues pruned to eliminate duplicates Z: 11 4.974 1.539 0.536 0.425 0.700 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 8 7.411 1.588 0.160 0.853 1.000 0.429 CB 1.124 5 residues pruned to eliminate duplicates Z: 10 5.469 1.488 0.111 0.844 0.889 0.444 CB 0.923 10 residues pruned to eliminate duplicates Z: 9 4.881 1.553 0.279 0.698 0.875 0.250 CB 0.829 9 residues pruned to eliminate duplicates Z: 15 6.045 1.431 0.577 0.502 0.786 0.429 CB 0.909 8 residues pruned to eliminate duplicates Z: 12 5.359 1.423 0.156 0.665 1.000 0.455 CB 0.843 12 residues pruned to eliminate duplicates Z: 20 9.769 1.559 0.332 0.623 0.842 0.579 CB 1.141 20 residues pruned to eliminate duplicates Z: 16 15.504 1.686 0.797 0.608 0.933 0.667 CB 1.278 12 residues pruned to eliminate duplicates Z: 7 6.913 1.471 0.819 0.516 0.833 0.500 N 1.246 7 residues pruned to eliminate duplicates Z: 16 10.717 1.674 0.533 0.445 0.933 0.467 CB 1.223 16 residues pruned to eliminate duplicates Z: 15 15.515 1.732 1.015 0.641 0.786 0.571 CB 1.325 15 residues pruned to eliminate duplicates Z: 19 8.799 1.672 0.469 0.376 0.778 0.333 CB 1.240 15 residues pruned to eliminate duplicates Z: 6 9.564 1.672 0.609 0.824 1.000 0.600 CA 1.201 6 residues pruned to eliminate duplicates Z: 20 16.770 1.683 0.707 0.614 0.895 0.789 N 1.343 29 residues pruned to eliminate duplicates Z: 9 5.586 1.529 0.673 0.509 0.750 0.125 CB 1.020 9 residues pruned to eliminate duplicates Z: 17 5.517 1.404 0.528 0.345 0.812 0.125 N 0.937 17 residues pruned to eliminate duplicates Z: 24 10.365 1.523 0.846 0.460 0.913 0.435 CB 0.877 24 residues pruned to eliminate duplicates Z: 13 6.615 1.534 0.462 0.598 0.833 0.500 CB 0.931 13 residues pruned to eliminate duplicates Z: 12 9.487 1.638 0.694 0.725 0.818 0.364 CB 1.028 12 residues pruned to eliminate duplicates Z: 13 12.300 1.586 0.811 0.665 1.000 0.250 CB 1.061 13 residues pruned to eliminate duplicates Z: 8 7.214 1.638 0.560 0.735 0.857 0.571 CB 1.008 8 residues pruned to eliminate duplicates Z: 23 15.879 1.673 0.604 0.630 0.864 0.682 CB 1.292 23 residues pruned to eliminate duplicates Z: 7 7.231 1.632 0.244 0.635 1.000 1.000 N 1.282 7 residues pruned to eliminate duplicates Z: 13 19.424 1.816 1.032 0.741 1.000 0.917 CB 1.225 13 residues pruned to eliminate duplicates Z: 11 24.512 1.913 1.170 0.848 1.000 0.900 CB 1.385 11 residues pruned to eliminate duplicates Z: 6 2.837 1.273 1.061 0.358 0.600 0.400 N 0.939 Z: 6 3.119 1.461 0.673 0.295 0.800 0.600 N 0.897 6 residues pruned to eliminate duplicates Z: 12 20.838 1.831 1.029 0.765 1.000 0.818 CB 1.337 18 residues pruned to eliminate duplicates Z: 16 15.854 1.701 0.851 0.557 0.933 0.667 CB 1.318 16 residues pruned to eliminate duplicates Z: 17 14.437 1.702 0.865 0.529 0.875 0.500 CB 1.262 17 residues pruned to eliminate duplicates Z: 26 20.686 1.716 0.686 0.740 0.920 0.760 CB 1.253 24 residues pruned to eliminate duplicates Z: 12 12.562 1.684 0.444 0.784 1.000 0.818 CA 1.213 12 residues pruned to eliminate duplicates Z: 26 18.761 1.721 0.769 0.678 0.840 0.720 CA 1.245 26 residues pruned to eliminate duplicates Z: 10 8.946 1.624 0.521 0.464 1.000 0.667 CA 1.253 10 residues pruned to eliminate duplicates Z: 17 14.084 1.745 0.494 0.558 1.000 0.688 N 1.276 17 residues pruned to eliminate duplicates Z: 13 13.052 1.750 0.424 0.751 0.917 0.500 CA 1.319 13 residues pruned to eliminate duplicates Z: 12 15.211 1.759 0.694 0.791 1.000 0.818 CA 1.193 12 residues pruned to eliminate duplicates Z: 12 14.217 1.679 0.578 0.837 1.000 0.818 CA 1.210 12 residues pruned to eliminate duplicates Z: 12 14.224 1.820 0.476 0.721 1.000 0.818 CA 1.307 12 residues pruned to eliminate duplicates Z: 8 4.166 1.519 0.388 0.315 0.857 0.571 C 1.069 6 residues pruned to eliminate duplicates Z: 13 13.102 1.687 0.575 0.798 1.000 0.917 CA 1.097 13 residues pruned to eliminate duplicates Z: 18 14.156 1.697 0.458 0.706 0.882 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 29 12.976 1.650 0.515 0.461 0.857 0.393 CB 1.191 23 residues pruned to eliminate duplicates Z: 8 8.951 1.568 1.287 0.836 0.857 0.571 CB 0.824 17 residues pruned to eliminate duplicates Z: 9 10.871 1.599 0.951 0.848 1.000 0.625 CB 0.913 9 residues pruned to eliminate duplicates Z: 15 6.654 1.547 0.481 0.531 0.786 0.500 CB 0.958 15 residues pruned to eliminate duplicates Z: 25 9.114 1.507 0.585 0.522 0.792 0.375 CB 0.963 19 residues pruned to eliminate duplicates Z: 8 8.757 1.601 0.725 0.867 1.000 0.714 CB 0.877 8 residues pruned to eliminate duplicates Z: 14 7.511 1.576 0.678 0.629 0.846 0.308 CB 0.824 14 residues pruned to eliminate duplicates Z: 12 10.860 1.692 0.251 0.836 1.000 0.545 CB 1.159 12 residues pruned to eliminate duplicates Z: 10 10.882 1.766 0.293 0.811 1.000 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 11 8.642 1.699 0.399 0.621 1.000 0.500 CB 1.025 11 residues pruned to eliminate duplicates Z: 10 11.080 1.675 0.618 0.805 1.000 0.444 CB 1.044 10 residues pruned to eliminate duplicates Z: 10 11.048 1.700 0.482 0.866 1.000 0.778 CB 1.070 10 residues pruned to eliminate duplicates Z: 14 8.631 1.622 0.364 0.702 1.000 0.538 CB 0.900 14 residues pruned to eliminate duplicates Z: 12 12.534 1.599 0.746 0.743 1.000 0.727 CB 1.088 12 residues pruned to eliminate duplicates Z: 33 14.104 1.658 0.593 0.571 0.906 0.625 CB 0.973 33 residues pruned to eliminate duplicates Z: 14 10.116 1.661 0.574 0.608 1.000 0.692 CA 0.968 14 residues pruned to eliminate duplicates Z: 12 10.039 1.713 0.567 0.684 1.000 0.364 CB 0.952 12 residues pruned to eliminate duplicates Z: 18 13.954 1.721 0.609 0.659 0.941 0.765 CB 1.120 18 residues pruned to eliminate duplicates Z: 18 14.031 1.721 0.492 0.723 1.000 0.765 CB 1.084 18 residues pruned to eliminate duplicates Z: 21 12.905 1.634 0.542 0.681 1.000 0.700 CB 0.970 21 residues pruned to eliminate duplicates Z: 22 9.568 1.690 0.438 0.426 0.905 0.381 CA 1.026 22 residues pruned to eliminate duplicates Z: 7 3.238 1.549 0.588 0.663 0.833 0.500 CA 0.554 7 residues pruned to eliminate duplicates Z: 42 17.897 1.725 0.637 0.509 0.927 0.561 CB 1.059 42 residues pruned to eliminate duplicates Z: 15 8.616 1.615 0.586 0.660 0.857 0.643 CA 0.904 15 residues pruned to eliminate duplicates Z: 16 10.108 1.698 0.376 0.622 0.933 0.733 CA 1.067 16 residues pruned to eliminate duplicates Z: 30 13.529 1.617 0.506 0.601 0.897 0.586 CB 1.045 30 residues pruned to eliminate duplicates Z: 27 13.737 1.754 0.557 0.460 0.885 0.577 CB 1.162 29 residues pruned to eliminate duplicates Z: 10 5.365 1.418 0.367 0.849 0.778 0.667 N 0.880 10 residues pruned to eliminate duplicates Z: 40 16.797 1.699 0.716 0.543 0.872 0.564 CB 1.015 40 residues pruned to eliminate duplicates Z: 25 12.275 1.746 0.570 0.482 0.875 0.583 CB 1.063 25 residues pruned to eliminate duplicates Z: 17 13.453 1.742 0.694 0.573 0.875 0.750 CB 1.214 17 residues pruned to eliminate duplicates Z: 21 13.248 1.710 0.682 0.553 0.950 0.650 CB 1.029 21 residues pruned to eliminate duplicates Z: 17 7.311 1.691 0.497 0.376 0.750 0.375 CA 1.099 17 residues pruned to eliminate duplicates Z: 34 15.150 1.680 0.662 0.564 0.909 0.515 CB 0.976 34 residues pruned to eliminate duplicates Z: 20 12.591 1.673 0.676 0.525 0.895 0.526 CB 1.123 20 residues pruned to eliminate duplicates Z: 11 7.932 1.685 0.711 0.485 0.800 0.600 N 1.105 11 residues pruned to eliminate duplicates Z: 34 16.375 1.669 0.547 0.622 0.909 0.667 CB 1.083 34 residues pruned to eliminate duplicates Z: 12 11.727 1.759 0.781 0.527 1.000 0.909 CB 1.099 12 residues pruned to eliminate duplicates Z: 16 12.265 1.748 0.580 0.583 1.000 0.800 CB 1.059 16 residues pruned to eliminate duplicates Z: 33 18.363 1.721 0.634 0.624 0.938 0.625 CB 1.095 33 residues pruned to eliminate duplicates Z: 23 14.632 1.788 0.496 0.460 0.955 0.591 CB 1.273 23 residues pruned to eliminate duplicates Z: 19 13.520 1.806 0.764 0.364 0.944 0.778 CA 1.225 19 residues pruned to eliminate duplicates Z: 9 7.170 1.570 0.591 0.600 0.875 0.500 CA 1.054 9 residues pruned to eliminate duplicates Z: 26 11.415 1.729 0.402 0.378 0.960 0.520 CB 1.117 24 residues pruned to eliminate duplicates Z: 11 8.750 1.453 0.558 0.821 0.900 0.600 N 1.028 10 residues pruned to eliminate duplicates Z: 12 8.351 1.485 0.276 0.794 0.909 0.636 N 1.130 12 residues pruned to eliminate duplicates Z: 8 10.030 1.543 0.479 0.884 1.000 0.857 CB 1.200 8 residues pruned to eliminate duplicates Z: 7 9.486 1.664 0.519 0.739 1.000 0.833 CB 1.237 7 residues pruned to eliminate duplicates Z: 6 5.329 1.528 0.348 0.603 0.800 0.600 O 1.311 6 residues pruned to eliminate duplicates Z: 9 6.399 1.552 0.494 0.696 0.750 0.375 N 1.088 9 residues pruned to eliminate duplicates Z: 9 4.724 1.529 0.407 0.603 0.875 0.500 CB 0.804 8 residues pruned to eliminate duplicates Z: 18 8.929 1.408 0.384 0.830 0.882 0.412 CB 0.947 18 residues pruned to eliminate duplicates Z: 6 4.316 1.336 0.572 0.790 0.800 0.400 N 0.890 6 residues pruned to eliminate duplicates Z: 7 3.608 1.489 0.495 0.531 0.833 0.333 CB 0.770 7 residues pruned to eliminate duplicates Z: 7 3.086 1.337 0.922 0.187 0.833 0.500 CB 0.857 Z: 6 3.005 1.391 0.682 0.434 0.800 0.600 N 0.768 6 residues pruned to eliminate duplicates Z: 12 7.748 1.607 0.628 0.519 0.909 0.727 N 0.964 13 residues pruned to eliminate duplicates Z: 14 8.455 1.533 0.384 0.694 0.769 0.538 CA 1.203 14 residues pruned to eliminate duplicates Z: 13 5.619 1.425 0.184 0.711 1.000 0.417 CA 0.794 13 residues pruned to eliminate duplicates Z: 13 5.440 1.514 0.080 0.432 1.000 0.167 CA 1.031 13 residues pruned to eliminate duplicates Z: 7 3.780 1.512 0.326 0.574 0.667 0.333 CA 1.074 6 residues pruned to eliminate duplicates Z: 7 5.428 1.589 0.201 0.573 1.000 0.333 CB 1.083 7 residues pruned to eliminate duplicates Z: 6 7.345 1.735 0.654 0.496 1.000 0.600 CA 1.150 Z: 12 10.956 1.906 0.334 0.767 1.000 0.818 CB 1.025 12 residues pruned to eliminate duplicates Z: 26 18.028 1.800 0.683 0.615 0.880 0.720 CB 1.213 21 residues pruned to eliminate duplicates Z: 13 13.545 1.883 0.535 0.805 0.917 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 16 12.550 1.727 0.352 0.677 0.933 0.800 CB 1.264 17 residues pruned to eliminate duplicates Z: 11 12.133 1.883 0.333 0.879 1.000 0.700 CB 1.109 11 residues pruned to eliminate duplicates Z: 25 15.300 1.805 0.465 0.634 0.875 0.708 CB 1.190 25 residues pruned to eliminate duplicates Z: 23 19.677 1.909 0.498 0.744 0.909 0.773 CB 1.297 23 residues pruned to eliminate duplicates Z: 15 10.819 1.772 0.329 0.659 0.929 0.643 CB 1.141 15 residues pruned to eliminate duplicates Z: 31 17.175 1.721 0.520 0.640 0.900 0.667 CB 1.168 31 residues pruned to eliminate duplicates Z: 23 14.968 1.864 0.314 0.677 0.909 0.682 CB 1.218 23 residues pruned to eliminate duplicates Z: 23 12.987 1.834 0.258 0.687 0.909 0.727 CB 1.113 23 residues pruned to eliminate duplicates Z: 23 8.554 1.763 0.469 0.467 0.682 0.500 CB 1.068 23 residues pruned to eliminate duplicates Z: 26 10.984 1.773 0.426 0.494 0.720 0.480 CB 1.213 26 residues pruned to eliminate duplicates Z: 23 10.350 1.656 0.557 0.441 0.818 0.409 CB 1.111 22 residues pruned to eliminate duplicates Z: 6 9.315 1.483 0.821 0.846 1.000 1.000 CA 1.146 6 residues pruned to eliminate duplicates Z: 32 20.016 1.810 0.621 0.667 0.903 0.677 CB 1.162 35 residues pruned to eliminate duplicates Z: 8 9.163 1.563 0.663 0.825 0.857 0.571 CA 1.173 8 residues pruned to eliminate duplicates Z: 8 3.064 1.506 0.421 0.690 0.714 0.714 CB 0.637 8 residues pruned to eliminate duplicates Z: 10 4.648 1.480 0.577 0.614 0.667 0.444 N 0.894 10 residues pruned to eliminate duplicates Z: 7 6.335 1.593 0.443 0.656 1.000 0.667 CB 0.974 7 residues pruned to eliminate duplicates Z: 14 5.345 1.746 0.337 0.213 0.769 0.308 CB 1.157 14 residues pruned to eliminate duplicates Z: 15 9.006 1.776 0.411 0.335 0.857 0.214 CB 1.342 15 residues pruned to eliminate duplicates Z: 12 8.770 1.793 0.421 0.373 1.000 0.273 CB 1.189 12 residues pruned to eliminate duplicates Z: 15 7.979 1.692 0.410 0.363 0.857 0.286 CB 1.208 15 residues pruned to eliminate duplicates Z: 13 8.096 1.745 0.752 0.295 0.833 0.417 CB 1.153 13 residues pruned to eliminate duplicates Z: 14 8.646 1.614 0.533 0.365 0.923 0.385 N 1.215 14 residues pruned to eliminate duplicates Z: 17 5.705 1.646 0.532 0.220 0.688 0.312 CB 1.142 17 residues pruned to eliminate duplicates Z: 16 6.106 1.695 0.577 0.229 0.733 0.267 CB 1.103 16 residues pruned to eliminate duplicates Z: 10 6.121 1.835 0.580 0.325 0.667 0.333 N 1.279 10 residues pruned to eliminate duplicates Z: 16 14.030 1.825 0.792 0.585 0.867 0.667 CB 1.178 16 residues pruned to eliminate duplicates Z: 13 14.954 1.902 0.617 0.772 0.917 0.750 CB 1.204 13 residues pruned to eliminate duplicates Z: 16 13.776 1.848 0.855 0.575 0.867 0.733 CB 1.113 16 residues pruned to eliminate duplicates Z: 13 17.569 1.842 0.930 0.636 0.917 0.750 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 14.690 1.897 0.549 0.605 0.857 0.786 N 1.411 15 residues pruned to eliminate duplicates Z: 17 10.097 1.756 0.452 0.540 0.875 0.750 CB 1.087 17 residues pruned to eliminate duplicates Z: 14 17.344 1.982 0.714 0.626 0.846 0.692 CB 1.486 14 residues pruned to eliminate duplicates Z: 7 3.333 1.727 0.566 0.442 0.667 0.500 CB 0.801 7 residues pruned to eliminate duplicates Z: 15 16.115 1.892 0.820 0.642 0.929 0.714 CB 1.179 15 residues pruned to eliminate duplicates Z: 21 12.941 1.765 0.528 0.662 0.900 0.600 CB 1.026 25 residues pruned to eliminate duplicates Z: 10 11.288 1.642 0.762 0.830 1.000 0.889 CB 0.978 10 residues pruned to eliminate duplicates Z: 9 5.793 1.676 0.822 0.655 0.875 0.625 CB 0.664 9 residues pruned to eliminate duplicates Z: 10 5.793 1.691 0.789 0.621 0.778 0.667 CB 0.732 10 residues pruned to eliminate duplicates Z: 16 12.856 1.516 0.915 0.829 0.867 0.533 N 0.993 16 residues pruned to eliminate duplicates Z: 28 19.092 1.702 0.718 0.648 0.926 0.630 CB 1.183 28 residues pruned to eliminate duplicates Z: 24 17.546 1.696 0.772 0.722 0.913 0.739 CB 1.091 24 residues pruned to eliminate duplicates Z: 17 9.271 1.773 0.579 0.485 0.812 0.562 CB 1.034 17 residues pruned to eliminate duplicates Z: 8 7.524 1.723 0.127 0.753 1.000 0.857 CB 1.169 8 residues pruned to eliminate duplicates Z: 13 9.867 1.789 0.559 0.532 0.917 0.583 CB 1.079 13 residues pruned to eliminate duplicates Z: 11 5.620 1.660 0.684 0.549 0.800 0.500 CB 0.758 11 residues pruned to eliminate duplicates Z: 13 9.153 1.749 0.573 0.398 0.917 0.500 CB 1.167 13 residues pruned to eliminate duplicates Z: 14 3.938 1.715 0.446 0.529 0.769 0.538 CB 0.557 14 residues pruned to eliminate duplicates Z: 15 9.721 1.694 0.347 0.562 0.857 0.643 CB 1.250 15 residues pruned to eliminate duplicates Z: 15 8.611 1.709 0.551 0.479 0.857 0.571 CB 1.034 15 residues pruned to eliminate duplicates Z: 12 5.584 1.574 0.790 0.209 0.818 0.273 N 1.031 10 residues pruned to eliminate duplicates Z: 6 2.054 1.322 1.379 0.300 0.800 0.600 N 0.456 6 residues pruned to eliminate duplicates Z: 7 5.575 1.547 1.017 0.354 0.833 0.500 CA 1.024 7 residues pruned to eliminate duplicates Z: 19 14.415 1.739 1.035 0.468 0.944 0.778 CA 1.050 10 residues pruned to eliminate duplicates Z: 6 2.253 1.434 0.398 0.295 0.800 0.600 CA 0.791 6 residues pruned to eliminate duplicates Z: 35 18.849 1.677 0.688 0.579 0.882 0.647 CA 1.199 35 residues pruned to eliminate duplicates Z: 22 14.261 1.807 0.675 0.627 1.000 0.857 CA 0.912 13 residues pruned to eliminate duplicates Z: 6 2.906 1.444 0.643 0.367 1.000 0.600 CA 0.631 6 residues pruned to eliminate duplicates Z: 35 19.222 1.765 0.581 0.614 0.941 0.765 CA 1.127 80 residues pruned to eliminate duplicates Z: 24 15.186 1.769 0.879 0.533 0.870 0.652 CA 1.060 Z: 15 13.220 1.737 0.279 0.827 1.000 0.929 CA 1.199 39 residues pruned to eliminate duplicates Z: 34 20.818 1.792 0.568 0.602 0.970 0.788 CA 1.207 34 residues pruned to eliminate duplicates Z: 43 25.260 1.756 0.839 0.571 0.952 0.714 CA 1.183 43 residues pruned to eliminate duplicates Z: 21 15.560 1.755 0.497 0.655 0.950 0.800 CB 1.207 21 residues pruned to eliminate duplicates Z: 26 11.694 1.773 0.363 0.536 0.880 0.680 CA 1.061 26 residues pruned to eliminate duplicates Z: 9 10.186 1.703 0.524 0.730 1.000 0.375 CA 1.128 Z: 15 18.865 1.730 0.579 0.926 1.000 0.857 CB 1.294 24 residues pruned to eliminate duplicates Z: 21 18.253 1.738 0.839 0.654 1.000 0.950 CB 1.107 21 residues pruned to eliminate duplicates Z: 25 18.110 1.758 0.722 0.607 0.958 0.667 CB 1.151 25 residues pruned to eliminate duplicates Z: 15 14.025 1.797 0.659 0.535 0.929 0.643 N 1.308 15 residues pruned to eliminate duplicates Z: 14 14.263 1.838 0.620 0.584 1.000 0.692 CB 1.226 14 residues pruned to eliminate duplicates Z: 13 11.278 1.729 0.800 0.567 0.833 0.417 CB 1.177 13 residues pruned to eliminate duplicates Z: 18 12.253 1.735 0.623 0.520 0.824 0.529 CB 1.256 18 residues pruned to eliminate duplicates Z: 20 10.158 1.765 0.448 0.471 0.789 0.579 CB 1.189 20 residues pruned to eliminate duplicates Z: 26 9.581 1.715 0.631 0.385 0.840 0.560 CB 0.921 26 residues pruned to eliminate duplicates Z: 19 11.865 1.696 0.498 0.524 0.889 0.611 N 1.210 19 residues pruned to eliminate duplicates Z: 18 12.003 1.706 0.584 0.502 0.941 0.588 N 1.142 18 residues pruned to eliminate duplicates Z: 26 11.671 1.652 0.641 0.508 0.840 0.560 CB 1.018 26 residues pruned to eliminate duplicates Z: 11 10.020 1.729 0.415 0.536 1.000 0.600 CB 1.249 Z: 10 8.839 1.577 0.963 0.678 0.889 0.778 CB 0.909 8 residues pruned to eliminate duplicates Z: 15 14.531 1.689 0.640 0.836 0.929 0.571 CB 1.130 28 residues pruned to eliminate duplicates Z: 7 4.944 1.601 0.141 0.816 0.833 0.500 N 1.007 7 residues pruned to eliminate duplicates Z: 22 9.600 1.711 0.456 0.494 0.762 0.571 CB 1.109 22 residues pruned to eliminate duplicates Z: 13 4.631 1.624 0.144 0.558 0.833 0.417 CB 0.816 13 residues pruned to eliminate duplicates Z: 12 5.600 1.638 0.092 0.600 0.818 0.636 CB 1.050 12 residues pruned to eliminate duplicates Z: 33 16.131 1.723 0.542 0.518 0.938 0.531 CB 1.125 33 residues pruned to eliminate duplicates Z: 30 9.761 1.640 0.348 0.474 0.862 0.483 CB 0.977 30 residues pruned to eliminate duplicates Z: 33 12.270 1.716 0.523 0.432 0.938 0.500 CB 0.950 33 residues pruned to eliminate duplicates Z: 19 12.543 1.755 0.477 0.560 0.944 0.667 CB 1.139 19 residues pruned to eliminate duplicates Z: 19 12.680 1.751 0.543 0.509 0.944 0.611 CB 1.161 19 residues pruned to eliminate duplicates Z: 37 19.893 1.770 0.562 0.546 0.944 0.583 CB 1.214 37 residues pruned to eliminate duplicates Z: 6 5.388 1.534 0.420 0.362 1.000 0.800 O 1.284 6 residues pruned to eliminate duplicates Z: 20 12.123 1.783 0.587 0.461 0.842 0.579 CB 1.214 20 residues pruned to eliminate duplicates Z: 42 17.780 1.735 0.474 0.488 0.951 0.561 CB 1.156 40 residues pruned to eliminate duplicates Z: 6 5.324 1.605 0.868 0.232 1.000 0.400 CA 1.084 6 residues pruned to eliminate duplicates Z: 21 10.303 1.757 0.340 0.564 0.900 0.550 CB 1.022 21 residues pruned to eliminate duplicates Z: 25 13.799 1.764 0.548 0.501 0.875 0.583 CB 1.178 25 residues pruned to eliminate duplicates Z: 32 14.422 1.687 0.487 0.530 0.935 0.581 CB 1.072 32 residues pruned to eliminate duplicates Z: 23 13.745 1.793 0.513 0.576 0.864 0.682 CB 1.162 23 residues pruned to eliminate duplicates Z: 25 15.381 1.751 0.442 0.590 0.958 0.708 CB 1.191 23 residues pruned to eliminate duplicates Z: 6 7.372 1.554 0.915 0.607 1.000 0.600 CA 1.001 6 residues pruned to eliminate duplicates Z: 8 4.227 1.557 0.802 0.267 0.857 0.714 N 0.866 8 residues pruned to eliminate duplicates Z: 6 5.114 1.407 0.858 0.422 1.000 0.400 CA 0.948 6 residues pruned to eliminate duplicates Z: 14 16.285 1.791 0.950 0.557 0.923 0.692 CA 1.326 22 residues pruned to eliminate duplicates Z: 18 11.305 1.453 0.556 0.717 0.941 0.588 CA 1.059 18 residues pruned to eliminate duplicates Z: 20 14.613 1.625 0.760 0.593 0.895 0.737 CA 1.199 20 residues pruned to eliminate duplicates Z: 21 13.547 1.532 0.642 0.616 0.950 0.700 CA 1.135 21 residues pruned to eliminate duplicates Z: 29 17.063 1.719 0.683 0.508 0.964 0.714 CA 1.147 22 residues pruned to eliminate duplicates Z: 13 12.515 1.579 0.555 0.861 1.000 0.833 CA 1.081 13 residues pruned to eliminate duplicates Z: 36 17.534 1.641 0.543 0.626 0.886 0.686 CA 1.174 36 residues pruned to eliminate duplicates Z: 14 8.606 1.496 0.585 0.386 0.923 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 26 12.245 1.551 0.488 0.569 0.880 0.680 CB 1.127 28 residues pruned to eliminate duplicates Z: 11 11.507 1.504 1.008 0.771 0.800 0.200 CB 1.185 11 residues pruned to eliminate duplicates Z: 42 13.864 1.685 0.418 0.491 0.854 0.537 CB 1.072 42 residues pruned to eliminate duplicates Z: 47 20.585 1.686 0.564 0.540 0.935 0.630 CB 1.184 47 residues pruned to eliminate duplicates Z: 44 15.933 1.563 0.517 0.561 0.907 0.558 CB 1.065 31 residues pruned to eliminate duplicates Z: 15 10.716 1.521 0.641 0.793 0.929 0.643 CA 0.956 15 residues pruned to eliminate duplicates Z: 39 20.181 1.666 0.676 0.614 0.921 0.553 CA 1.143 39 residues pruned to eliminate duplicates Z: 21 9.820 1.646 0.228 0.573 0.900 0.650 CA 1.125 21 residues pruned to eliminate duplicates Z: 23 12.003 1.666 0.530 0.484 0.818 0.545 CB 1.247 23 residues pruned to eliminate duplicates Z: 38 17.223 1.666 0.567 0.559 0.919 0.595 CB 1.114 38 residues pruned to eliminate duplicates Z: 23 10.744 1.621 0.420 0.483 0.864 0.455 CA 1.172 23 residues pruned to eliminate duplicates Z: 42 17.071 1.669 0.496 0.571 0.878 0.463 CB 1.135 42 residues pruned to eliminate duplicates Z: 24 9.823 1.641 0.472 0.423 0.870 0.652 CA 1.057 24 residues pruned to eliminate duplicates Z: 25 11.601 1.641 0.459 0.489 0.958 0.667 CA 1.043 25 residues pruned to eliminate duplicates Z: 17 9.495 1.662 0.233 0.563 0.875 0.688 CB 1.246 17 residues pruned to eliminate duplicates Z: 15 6.253 1.625 0.158 0.616 0.929 0.643 CA 0.857 15 residues pruned to eliminate duplicates Z: 13 16.744 1.769 0.654 0.571 1.000 0.750 CA 1.542 13 residues pruned to eliminate duplicates Z: 44 19.510 1.678 0.563 0.564 0.884 0.535 CB 1.207 52 residues pruned to eliminate duplicates Z: 16 12.398 1.635 0.360 0.764 0.933 0.467 CA 1.220 16 residues pruned to eliminate duplicates Z: 17 10.568 1.644 0.527 0.450 0.812 0.562 CB 1.363 17 residues pruned to eliminate duplicates Z: 21 13.784 1.720 0.416 0.632 1.000 0.650 CA 1.118 21 residues pruned to eliminate duplicates Z: 21 13.801 1.743 0.468 0.546 0.950 0.600 CA 1.214 21 residues pruned to eliminate duplicates Z: 14 9.899 1.733 0.339 0.513 0.846 0.615 CA 1.381 14 residues pruned to eliminate duplicates Z: 47 19.131 1.700 0.461 0.548 0.913 0.543 CB 1.187 47 residues pruned to eliminate duplicates Z: 13 11.068 1.735 0.368 0.529 0.917 0.583 CB 1.428 13 residues pruned to eliminate duplicates Z: 14 7.020 1.641 0.383 0.425 0.692 0.385 CB 1.340 14 residues pruned to eliminate duplicates Z: 34 17.918 1.729 0.551 0.539 0.970 0.606 CB 1.155 34 residues pruned to eliminate duplicates Z: 41 22.077 1.775 0.534 0.582 0.925 0.675 CA 1.281 41 residues pruned to eliminate duplicates Z: 14 10.870 1.742 0.619 0.522 0.923 0.769 CB 1.133 14 residues pruned to eliminate duplicates Z: 23 13.746 1.815 0.420 0.585 0.955 0.636 CB 1.099 23 residues pruned to eliminate duplicates Z: 13 11.172 1.859 0.527 0.543 1.000 0.750 CB 1.089 13 residues pruned to eliminate duplicates Z: 24 15.172 1.761 0.467 0.600 0.957 0.696 CB 1.164 24 residues pruned to eliminate duplicates Z: 14 8.310 1.731 0.490 0.372 0.923 0.385 CB 1.109 14 residues pruned to eliminate duplicates Z: 43 25.340 1.813 0.594 0.592 0.952 0.643 CB 1.300 43 residues pruned to eliminate duplicates Z: 16 10.391 1.762 0.571 0.433 0.933 0.467 CB 1.113 16 residues pruned to eliminate duplicates Z: 37 22.664 1.813 0.546 0.630 0.917 0.667 CB 1.301 37 residues pruned to eliminate duplicates Z: 34 24.323 1.851 0.555 0.691 0.939 0.818 CB 1.315 34 residues pruned to eliminate duplicates Z: 40 22.807 1.789 0.628 0.649 0.949 0.718 CB 1.150 40 residues pruned to eliminate duplicates Z: 45 27.499 1.783 0.654 0.648 0.955 0.659 CB 1.284 45 residues pruned to eliminate duplicates Z: 34 22.562 1.768 0.593 0.668 0.939 0.727 CB 1.271 34 residues pruned to eliminate duplicates Z: 38 24.599 1.820 0.644 0.606 0.919 0.730 CB 1.331 38 residues pruned to eliminate duplicates Z: 51 26.902 1.814 0.751 0.535 0.900 0.620 CB 1.285 51 residues pruned to eliminate duplicates Z: 35 28.536 1.822 0.715 0.717 1.000 0.794 CB 1.287 35 residues pruned to eliminate duplicates Z: 43 27.534 1.797 0.558 0.671 1.000 0.714 CB 1.296 43 residues pruned to eliminate duplicates Z: 35 25.982 1.785 0.746 0.647 0.941 0.706 CB 1.325 35 residues pruned to eliminate duplicates Z: 49 29.444 1.852 0.640 0.611 0.979 0.771 CB 1.286 55 residues pruned to eliminate duplicates Z: 14 23.635 1.774 0.977 0.887 1.000 0.769 CB 1.348 14 residues pruned to eliminate duplicates Z: 41 23.477 1.818 0.568 0.579 0.950 0.675 CB 1.271 41 residues pruned to eliminate duplicates Z: 45 22.462 1.774 0.518 0.629 0.932 0.750 CB 1.196 45 residues pruned to eliminate duplicates Z: 47 24.271 1.845 0.574 0.542 0.957 0.696 CB 1.237 47 residues pruned to eliminate duplicates Z: 35 24.422 1.797 0.656 0.661 0.941 0.706 CB 1.288 35 residues pruned to eliminate duplicates Z: 40 25.310 1.815 0.602 0.605 0.974 0.821 CB 1.295 40 residues pruned to eliminate duplicates Z: 44 28.397 1.792 0.699 0.672 0.953 0.628 CA 1.273 44 residues pruned to eliminate duplicates Z: 33 25.517 1.830 0.626 0.692 1.000 0.781 CA 1.272 33 residues pruned to eliminate duplicates Z: 33 23.427 1.846 0.662 0.680 0.906 0.625 CB 1.262 33 residues pruned to eliminate duplicates Z: 33 28.147 1.839 0.736 0.696 1.000 0.750 CA 1.303 33 residues pruned to eliminate duplicates Z: 39 22.474 1.785 0.605 0.613 0.895 0.658 CB 1.277 39 residues pruned to eliminate duplicates Z: 43 26.201 1.828 0.596 0.659 0.952 0.690 CA 1.255 43 residues pruned to eliminate duplicates Z: 11 7.139 1.762 0.420 0.601 0.700 0.500 CA 1.171 11 residues pruned to eliminate duplicates Z: 17 9.974 1.815 0.271 0.603 0.938 0.500 CA 1.046 17 residues pruned to eliminate duplicates Z: 37 22.754 1.731 0.717 0.602 0.944 0.556 CA 1.227 30 residues pruned to eliminate duplicates Z: 15 12.287 1.779 0.531 0.753 0.929 0.571 CA 1.037 15 residues pruned to eliminate duplicates Z: 13 7.247 1.743 0.486 0.462 0.667 0.583 CB 1.260 13 residues pruned to eliminate duplicates Z: 30 25.355 1.810 0.753 0.760 1.000 0.655 CA 1.178 30 residues pruned to eliminate duplicates Z: 45 28.429 1.825 0.723 0.648 0.955 0.636 CB 1.243 45 residues pruned to eliminate duplicates Z: 43 28.548 1.845 0.648 0.664 0.952 0.762 CA 1.307 43 residues pruned to eliminate duplicates Z: 26 19.106 1.767 0.787 0.593 0.960 0.520 CA 1.153 26 residues pruned to eliminate duplicates Z: 42 27.907 1.827 0.682 0.666 0.951 0.659 CB 1.278 42 residues pruned to eliminate duplicates Z: 12 12.341 1.723 0.417 0.685 1.000 0.727 CB 1.287 28 residues pruned to eliminate duplicates Z: 6 4.097 1.545 0.445 0.362 1.000 0.600 CA 0.953 Z: 16 9.617 1.718 0.207 0.783 1.000 0.933 CB 0.934 22 residues pruned to eliminate duplicates Z: 21 9.303 1.717 0.406 0.416 0.900 0.550 CB 1.045 21 residues pruned to eliminate duplicates Z: 19 17.278 1.853 0.448 0.755 1.000 0.944 CB 1.209 19 residues pruned to eliminate duplicates Z: 20 19.457 1.762 0.657 0.771 1.000 0.684 CB 1.203 20 residues pruned to eliminate duplicates Z: 20 14.595 1.749 0.489 0.696 1.000 0.632 CB 1.075 20 residues pruned to eliminate duplicates Z: 17 13.654 1.799 0.658 0.727 0.938 0.688 CB 0.995 17 residues pruned to eliminate duplicates Z: 19 16.784 1.806 0.734 0.728 0.944 0.389 CB 1.089 19 residues pruned to eliminate duplicates Z: 18 16.910 1.844 0.638 0.749 1.000 0.471 CB 1.087 18 residues pruned to eliminate duplicates Z: 21 17.167 1.679 0.658 0.741 1.000 0.600 CB 1.111 21 residues pruned to eliminate duplicates Z: 20 17.986 1.787 0.733 0.762 1.000 0.789 CB 1.056 20 residues pruned to eliminate duplicates Z: 11 7.568 1.798 0.450 0.521 0.900 0.700 CB 1.000 11 residues pruned to eliminate duplicates Z: 9 8.545 1.897 0.315 0.656 1.000 0.750 CB 1.047 9 residues pruned to eliminate duplicates Z: 19 14.660 1.786 0.516 0.749 0.944 0.500 CB 1.082 19 residues pruned to eliminate duplicates Z: 37 22.856 1.761 0.623 0.623 0.944 0.750 CA 1.258 37 residues pruned to eliminate duplicates Z: 19 11.660 1.810 0.399 0.751 0.889 0.833 CB 0.976 19 residues pruned to eliminate duplicates Z: 11 7.669 1.707 0.429 0.515 0.900 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 11 6.714 1.661 0.241 0.520 0.900 0.500 CA 1.122 11 residues pruned to eliminate duplicates Z: 9 8.603 1.884 0.370 0.527 0.875 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 24 15.752 1.696 0.661 0.692 0.913 0.348 CB 1.071 24 residues pruned to eliminate duplicates Z: 69 32.173 1.792 0.569 0.640 0.941 0.618 CB 1.294 72 residues pruned to eliminate duplicates Z: 14 9.898 1.691 0.602 0.600 0.769 0.462 CA 1.197 14 residues pruned to eliminate duplicates Z: 43 23.399 1.764 0.546 0.569 0.952 0.500 CA 1.301 43 residues pruned to eliminate duplicates Z: 45 24.295 1.798 0.488 0.581 0.932 0.614 CB 1.359 45 residues pruned to eliminate duplicates Z: 42 26.090 1.810 0.563 0.595 0.976 0.537 CA 1.348 42 residues pruned to eliminate duplicates Z: 28 18.637 1.723 0.682 0.607 0.963 0.667 CB 1.162 28 residues pruned to eliminate duplicates Z: 8 6.924 1.805 0.442 0.395 1.000 0.571 CA 1.123 8 residues pruned to eliminate duplicates Z: 62 26.818 1.750 0.588 0.553 0.967 0.656 CB 1.214 62 residues pruned to eliminate duplicates Z: 22 14.952 1.856 0.424 0.516 1.000 0.619 CA 1.215 22 residues pruned to eliminate duplicates Z: 17 10.831 1.792 0.387 0.565 0.938 0.562 CA 1.091 17 residues pruned to eliminate duplicates Z: 54 30.093 1.812 0.658 0.598 0.962 0.679 CB 1.303 54 residues pruned to eliminate duplicates Z: 20 12.178 1.901 0.333 0.475 0.947 0.737 CA 1.193 20 residues pruned to eliminate duplicates Z: 42 24.439 1.794 0.547 0.596 0.951 0.585 CA 1.320 42 residues pruned to eliminate duplicates Z: 18 13.216 1.834 0.397 0.476 1.000 0.824 CA 1.282 18 residues pruned to eliminate duplicates Z: 20 14.063 1.858 0.436 0.477 0.947 0.737 CA 1.306 20 residues pruned to eliminate duplicates Z: 44 25.803 1.794 0.592 0.601 0.953 0.628 CA 1.312 44 residues pruned to eliminate duplicates Z: 18 15.721 1.825 0.660 0.490 1.000 0.647 CA 1.271 18 residues pruned to eliminate duplicates Z: 37 21.359 1.752 0.564 0.590 0.944 0.694 CA 1.261 36 residues pruned to eliminate duplicates Z: 6 4.208 1.696 0.150 0.324 1.000 0.200 CA 1.172 6 residues pruned to eliminate duplicates Z: 23 15.189 1.847 0.352 0.551 1.000 0.727 CA 1.234 23 residues pruned to eliminate duplicates Z: 43 23.833 1.773 0.545 0.586 0.952 0.524 CA 1.299 43 residues pruned to eliminate duplicates Z: 67 26.557 1.758 0.548 0.563 0.909 0.576 CB 1.243 62 residues pruned to eliminate duplicates Z: 6 4.820 1.509 0.531 0.435 1.000 0.600 CA 0.998 Z: 6 6.165 1.510 0.957 0.424 1.000 0.600 N 1.009 Z: 9 8.180 1.477 0.806 0.848 0.875 0.375 CB 0.919 Z: 10 7.642 1.441 0.870 0.849 0.889 0.556 CB 0.788 9 residues pruned to eliminate duplicates Z: 10 9.057 1.429 0.997 0.752 0.889 0.333 CB 0.951 9 residues pruned to eliminate duplicates Z: 10 9.053 1.455 0.941 0.875 0.889 0.556 CB 0.874 11 residues pruned to eliminate duplicates Z: 8 8.835 1.430 0.914 0.754 1.000 0.286 CB 0.973 7 residues pruned to eliminate duplicates Z: 10 9.853 1.478 0.930 0.877 0.889 0.667 CB 0.941 10 residues pruned to eliminate duplicates Z: 10 9.550 1.450 0.838 0.910 1.000 0.556 CB 0.847 10 residues pruned to eliminate duplicates Z: 11 8.840 1.429 0.909 0.898 1.000 0.500 CB 0.733 11 residues pruned to eliminate duplicates Z: 13 9.531 1.504 0.684 0.617 0.917 0.750 N 1.060 15 residues pruned to eliminate duplicates Z: 12 10.838 1.481 0.946 0.671 0.909 0.636 N 1.066 12 residues pruned to eliminate duplicates Z: 10 4.100 1.433 0.620 0.370 0.778 0.444 CB 0.871 10 residues pruned to eliminate duplicates Z: 19 9.317 1.389 0.829 0.627 0.833 0.333 CB 0.921 19 residues pruned to eliminate duplicates Z: 14 7.993 1.463 0.737 0.627 0.769 0.462 CB 1.006 14 residues pruned to eliminate duplicates Z: 10 6.232 1.354 0.648 0.477 0.889 0.778 CA 1.071 10 residues pruned to eliminate duplicates Z: 10 8.827 1.450 0.889 0.728 1.000 0.556 CB 0.875 10 residues pruned to eliminate duplicates Z: 12 7.215 1.509 0.718 0.602 0.727 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 19 10.231 1.554 0.438 0.583 0.889 0.667 CB 1.120 19 residues pruned to eliminate duplicates Z: 24 9.977 1.511 0.650 0.530 0.826 0.609 CB 0.981 24 residues pruned to eliminate duplicates Z: 18 10.672 1.592 0.418 0.587 0.882 0.529 CB 1.196 18 residues pruned to eliminate duplicates Z: 13 7.511 1.354 0.521 0.543 0.917 0.750 CB 1.102 13 residues pruned to eliminate duplicates Z: 18 9.433 1.566 0.558 0.345 0.882 0.353 CB 1.257 18 residues pruned to eliminate duplicates Z: 22 10.099 1.629 0.405 0.405 0.857 0.524 N 1.242 22 residues pruned to eliminate duplicates Z: 32 13.673 1.524 0.657 0.591 0.871 0.516 CB 1.024 32 residues pruned to eliminate duplicates Z: 12 9.888 1.607 0.961 0.565 0.818 0.273 CB 1.086 12 residues pruned to eliminate duplicates Z: 8 8.514 1.665 0.927 0.584 0.857 0.571 N 1.079 8 residues pruned to eliminate duplicates Z: 6 9.329 1.684 0.732 0.725 1.000 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 20 10.868 1.631 0.397 0.521 0.895 0.579 N 1.199 20 residues pruned to eliminate duplicates Z: 11 6.187 1.656 0.699 0.459 0.700 0.400 N 1.036 11 residues pruned to eliminate duplicates Z: 14 9.262 1.639 0.706 0.463 0.846 0.692 N 1.127 14 residues pruned to eliminate duplicates Z: 6 6.419 1.502 0.890 0.644 1.000 0.400 CB 0.884 7 residues pruned to eliminate duplicates Z: 6 3.126 1.588 0.805 0.427 0.800 0.800 CB 0.658 5 residues pruned to eliminate duplicates Z: 6 3.091 1.310 0.820 0.272 0.800 0.400 N 0.938 6 residues pruned to eliminate duplicates Z: 21 16.929 1.757 0.780 0.547 0.900 0.650 CB 1.285 21 residues pruned to eliminate duplicates Z: 21 17.549 1.761 0.690 0.603 0.900 0.700 N 1.328 21 residues pruned to eliminate duplicates Z: 14 11.744 1.825 0.790 0.457 0.846 0.538 CB 1.231 14 residues pruned to eliminate duplicates Z: 33 15.495 1.685 0.443 0.528 0.906 0.625 CB 1.209 33 residues pruned to eliminate duplicates Z: 20 16.555 1.807 0.491 0.585 1.000 0.579 CB 1.300 20 residues pruned to eliminate duplicates Z: 23 13.744 1.743 0.404 0.560 0.909 0.500 CB 1.242 23 residues pruned to eliminate duplicates Z: 15 13.129 1.801 0.279 0.700 1.000 0.714 CB 1.270 15 residues pruned to eliminate duplicates Z: 46 19.845 1.694 0.527 0.451 0.911 0.556 CB 1.319 46 residues pruned to eliminate duplicates Z: 19 16.840 1.840 0.590 0.665 0.889 0.611 CB 1.310 19 residues pruned to eliminate duplicates Z: 25 13.099 1.680 0.299 0.544 0.917 0.542 CB 1.280 25 residues pruned to eliminate duplicates Z: 37 24.678 1.750 0.701 0.646 0.944 0.750 CB 1.276 35 residues pruned to eliminate duplicates Z: 10 13.796 1.789 0.635 0.856 1.000 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 35 19.849 1.761 0.496 0.619 0.971 0.588 CB 1.190 35 residues pruned to eliminate duplicates Z: 31 19.751 1.761 0.694 0.632 0.933 0.733 CB 1.144 33 residues pruned to eliminate duplicates Z: 14 13.664 1.778 0.662 0.821 0.923 0.615 CB 1.052 14 residues pruned to eliminate duplicates Z: 25 14.213 1.627 0.601 0.557 0.917 0.583 CB 1.149 25 residues pruned to eliminate duplicates Z: 39 18.786 1.697 0.718 0.550 0.868 0.553 CB 1.147 39 residues pruned to eliminate duplicates Z: 21 17.828 1.763 0.667 0.729 0.950 0.700 CB 1.163 21 residues pruned to eliminate duplicates Z: 33 23.083 1.784 0.733 0.638 0.969 0.719 CB 1.197 33 residues pruned to eliminate duplicates Z: 21 20.031 1.681 0.682 0.804 1.000 0.850 CB 1.215 21 residues pruned to eliminate duplicates Z: 16 10.819 1.682 0.405 0.581 0.867 0.600 CA 1.262 16 residues pruned to eliminate duplicates Z: 37 21.859 1.719 0.734 0.630 0.944 0.667 CB 1.145 37 residues pruned to eliminate duplicates Z: 26 13.760 1.636 0.520 0.644 0.920 0.720 CB 1.052 26 residues pruned to eliminate duplicates Z: 28 16.437 1.639 0.650 0.619 0.926 0.593 CB 1.129 28 residues pruned to eliminate duplicates Z: 43 22.126 1.766 0.469 0.603 1.000 0.571 CA 1.193 43 residues pruned to eliminate duplicates Z: 24 15.576 1.668 0.775 0.721 0.957 0.696 CB 0.939 24 residues pruned to eliminate duplicates Z: 8 4.741 1.470 0.909 0.412 0.857 0.571 CB 0.817 8 residues pruned to eliminate duplicates Z: 37 19.052 1.757 0.477 0.553 0.889 0.472 N 1.307 37 residues pruned to eliminate duplicates Z: 58 29.466 1.787 0.638 0.571 0.965 0.579 CB 1.291 58 residues pruned to eliminate duplicates Z: 48 20.542 1.690 0.535 0.520 0.915 0.511 CB 1.237 48 residues pruned to eliminate duplicates Z: 24 14.839 1.825 0.402 0.474 0.957 0.696 CA 1.298 24 residues pruned to eliminate duplicates Z: 51 26.203 1.757 0.603 0.554 0.940 0.500 CA 1.328 51 residues pruned to eliminate duplicates Z: 25 14.050 1.807 0.461 0.440 1.000 0.500 CA 1.155 25 residues pruned to eliminate duplicates Z: 28 14.937 1.750 0.415 0.489 0.889 0.444 CA 1.321 28 residues pruned to eliminate duplicates Z: 17 11.169 1.736 0.414 0.505 0.938 0.438 CA 1.207 17 residues pruned to eliminate duplicates Z: 21 11.423 1.808 0.372 0.447 0.950 0.600 CA 1.144 21 residues pruned to eliminate duplicates Z: 23 11.316 1.790 0.275 0.501 1.000 0.636 CA 1.056 23 residues pruned to eliminate duplicates Z: 24 13.988 1.829 0.346 0.414 0.957 0.565 CA 1.355 24 residues pruned to eliminate duplicates Z: 36 19.660 1.751 0.580 0.527 0.914 0.571 CB 1.279 36 residues pruned to eliminate duplicates Z: 25 13.905 1.769 0.444 0.438 0.917 0.542 CA 1.292 25 residues pruned to eliminate duplicates Z: 23 14.025 1.823 0.377 0.383 1.000 0.591 CA 1.349 23 residues pruned to eliminate duplicates Z: 23 11.971 1.781 0.395 0.362 0.909 0.409 CA 1.310 23 residues pruned to eliminate duplicates Z: 19 14.390 1.882 0.497 0.445 1.000 0.667 CA 1.273 19 residues pruned to eliminate duplicates Z: 23 13.826 1.836 0.510 0.387 0.955 0.500 CA 1.256 23 residues pruned to eliminate duplicates Z: 22 15.340 1.803 0.581 0.426 1.000 0.571 CA 1.268 22 residues pruned to eliminate duplicates Z: 25 13.820 1.781 0.511 0.444 0.917 0.583 CA 1.212 25 residues pruned to eliminate duplicates Z: 39 18.580 1.790 0.481 0.438 0.895 0.553 CB 1.355 39 residues pruned to eliminate duplicates Z: 25 12.106 1.822 0.373 0.406 0.833 0.500 CA 1.309 25 residues pruned to eliminate duplicates Z: 23 14.626 1.810 0.535 0.397 1.000 0.545 CA 1.251 23 residues pruned to eliminate duplicates Z: 24 13.156 1.792 0.503 0.383 0.957 0.435 CA 1.206 24 residues pruned to eliminate duplicates Z: 35 18.868 1.785 0.472 0.570 0.912 0.529 CB 1.263 35 residues pruned to eliminate duplicates Z: 39 20.604 1.776 0.632 0.526 0.895 0.605 CB 1.256 39 residues pruned to eliminate duplicates Z: 43 21.628 1.812 0.488 0.540 0.905 0.571 CB 1.316 43 residues pruned to eliminate duplicates Z: 10 3.715 1.464 0.630 0.247 0.778 0.222 CB 0.894 10 residues pruned to eliminate duplicates Z: 34 19.401 1.783 0.464 0.512 0.939 0.545 CA 1.361 34 residues pruned to eliminate duplicates Z: 13 9.251 1.693 0.314 0.604 0.917 0.667 CB 1.187 13 residues pruned to eliminate duplicates Z: 35 15.927 1.733 0.464 0.459 0.912 0.529 CB 1.231 35 residues pruned to eliminate duplicates Z: 48 25.190 1.828 0.578 0.522 0.872 0.553 CA 1.429 48 residues pruned to eliminate duplicates Z: 23 9.766 1.528 0.648 0.425 0.864 0.545 CB 1.036 23 residues pruned to eliminate duplicates Z: 37 17.663 1.762 0.568 0.420 0.889 0.417 CA 1.302 37 residues pruned to eliminate duplicates Z: 36 19.285 1.776 0.456 0.531 0.914 0.657 CA 1.338 36 residues pruned to eliminate duplicates Z: 18 8.781 1.642 0.381 0.477 0.824 0.588 CB 1.167 18 residues pruned to eliminate duplicates Z: 21 20.427 1.868 0.716 0.649 0.900 0.600 CB 1.378 21 residues pruned to eliminate duplicates Z: 28 20.847 1.814 0.897 0.610 0.852 0.667 CB 1.233 28 residues pruned to eliminate duplicates Z: 38 19.899 1.797 0.611 0.501 0.892 0.676 CB 1.266 38 residues pruned to eliminate duplicates Z: 19 16.255 1.904 0.879 0.573 0.833 0.667 CB 1.198 19 residues pruned to eliminate duplicates Z: 21 17.467 1.817 0.816 0.569 0.900 0.650 CB 1.230 21 residues pruned to eliminate duplicates Z: 18 22.021 1.954 0.885 0.625 0.941 0.588 CB 1.370 18 residues pruned to eliminate duplicates Z: 24 19.782 1.842 0.914 0.601 0.826 0.609 CB 1.286 24 residues pruned to eliminate duplicates Z: 14 17.271 1.894 0.979 0.593 0.923 0.846 CA 1.267 14 residues pruned to eliminate duplicates Z: 20 16.733 1.893 0.937 0.597 0.842 0.526 CB 1.133 20 residues pruned to eliminate duplicates Z: 28 19.250 1.799 0.781 0.598 0.852 0.519 CB 1.236 28 residues pruned to eliminate duplicates Z: 14 19.671 1.951 1.141 0.615 0.923 0.692 CB 1.269 14 residues pruned to eliminate duplicates Z: 29 21.891 1.786 0.892 0.627 0.929 0.607 CB 1.170 29 residues pruned to eliminate duplicates Z: 14 19.115 1.811 1.175 0.635 1.000 0.692 N 1.186 14 residues pruned to eliminate duplicates Z: 29 19.667 1.743 0.812 0.591 0.893 0.500 CA 1.208 29 residues pruned to eliminate duplicates Z: 21 19.564 1.772 1.008 0.700 0.900 0.600 CA 1.138 21 residues pruned to eliminate duplicates Z: 8 9.317 1.733 0.546 0.672 0.857 0.429 N 1.308 8 residues pruned to eliminate duplicates Z: 10 8.552 1.688 0.522 0.670 0.889 0.333 N 1.067 10 residues pruned to eliminate duplicates Z: 10 6.822 1.584 0.805 0.597 0.778 0.333 CB 0.932 10 residues pruned to eliminate duplicates Z: 13 8.978 1.599 0.603 0.633 0.833 0.417 N 1.071 13 residues pruned to eliminate duplicates Z: 13 8.779 1.586 0.717 0.644 0.833 0.583 N 0.976 13 residues pruned to eliminate duplicates Z: 10 6.150 1.616 0.418 0.513 0.889 0.444 CB 0.994 10 residues pruned to eliminate duplicates Z: 8 4.116 1.654 0.240 0.484 1.000 0.571 CA 0.771 8 residues pruned to eliminate duplicates Z: 7 2.012 1.524 0.535 0.476 0.500 0.333 CA 0.719 6 residues pruned to eliminate duplicates Z: 12 12.746 1.536 1.044 0.682 0.909 0.545 CB 1.139 11 residues pruned to eliminate duplicates Z: 6 4.508 1.504 0.352 0.424 1.000 0.800 CA 1.073 5 residues pruned to eliminate duplicates 722 residues left after pruning, divided into chains as follows: A: 12 B: 8 C: 6 D: 6 E: 10 F: 8 G: 66 H: 39 I: 38 J: 44 K: 19 L: 33 M: 69 N: 55 O: 155 P: 41 Q: 91 R: 8 S: 14 CC for partial structure against native data = 37.36 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.377, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.437, Connect. = 0.702 for dens.mod. cycle 2 = 0.300, Contrast = 0.516, Connect. = 0.733 for dens.mod. cycle 3 = 0.300, Contrast = 0.524, Connect. = 0.735 for dens.mod. cycle 4 = 0.300, Contrast = 0.533, Connect. = 0.738 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.740 for dens.mod. cycle 6 = 0.300, Contrast = 0.543, Connect. = 0.743 for dens.mod. cycle 7 = 0.300, Contrast = 0.546, Connect. = 0.745 for dens.mod. cycle 8 = 0.300, Contrast = 0.548, Connect. = 0.746 for dens.mod. cycle 9 = 0.300, Contrast = 0.549, Connect. = 0.748 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3934 peaks > 0.5 sigma used to seed fragment search Space for about 1077 unique residues taking solvent into account 780 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 18.125 1.908 0.562 0.841 1.000 0.909 CA 1.367 B: 15 13.787 1.873 0.432 0.717 0.857 0.643 CA 1.317 15 residues pruned to eliminate duplicates C: 14 12.917 1.720 0.860 0.570 0.923 0.692 CB 1.133 D: 28 16.879 1.802 0.403 0.495 0.926 0.519 CB 1.394 E: 16 12.240 1.592 0.258 0.771 1.000 0.667 CA 1.241 F: 11 11.714 1.777 0.642 0.655 0.900 0.700 CB 1.221 G: 27 15.669 1.729 0.650 0.475 0.846 0.500 CB 1.305 26 residues pruned to eliminate duplicates H: 19 12.607 1.722 0.472 0.648 0.833 0.833 CA 1.225 I: 8 11.515 1.733 0.459 0.875 1.000 0.714 CB 1.252 J: 7 9.395 1.843 0.105 0.901 1.000 1.000 CB 1.345 7 residues pruned to eliminate duplicates K: 7 5.357 1.701 0.436 0.520 0.833 0.667 CA 1.053 L: 8 6.069 1.632 0.235 0.697 1.000 0.857 CA 0.950 M: 12 12.127 1.762 0.576 0.799 1.000 0.727 CB 1.013 7 residues pruned to eliminate duplicates N: 12 23.976 1.992 0.962 0.842 0.909 0.909 CA 1.516 12 residues pruned to eliminate duplicates O: 7 7.046 1.849 -0.096 0.887 1.000 1.000 CA 1.241 7 residues pruned to eliminate duplicates P: 15 11.765 1.775 0.115 0.774 0.929 0.500 CA 1.344 15 residues pruned to eliminate duplicates Q: 20 8.632 1.592 0.694 0.355 0.842 0.579 CA 1.020 R: 6 5.157 1.347 0.572 0.753 1.000 0.800 N 0.870 S: 10 6.666 1.678 0.216 0.536 0.889 0.333 CB 1.183 T: 12 15.718 1.784 0.910 0.818 0.909 0.818 CB 1.161 U: 18 15.980 1.839 0.589 0.453 0.941 0.471 CB 1.479 18 residues pruned to eliminate duplicates V: 12 15.129 1.815 1.143 0.757 0.909 0.909 CB 1.026 12 residues pruned to eliminate duplicates W: 10 11.081 1.677 0.629 0.584 0.889 0.778 CB 1.403 X: 47 17.673 1.676 0.481 0.450 0.913 0.587 CB 1.210 Y: 9 11.307 1.716 0.544 0.793 1.000 0.625 CB 1.167 14 residues pruned to eliminate duplicates Z: 18 8.788 1.637 0.429 0.443 0.824 0.647 CB 1.174 Z: 42 21.648 1.747 0.641 0.486 0.878 0.463 CB 1.363 29 residues pruned to eliminate duplicates Z: 7 9.140 1.580 0.860 0.685 1.000 0.667 N 1.071 Z: 12 14.890 1.812 0.383 0.921 1.000 1.000 CA 1.261 Z: 13 10.926 1.612 0.273 0.862 1.000 0.917 CB 1.129 Z: 10 8.963 1.522 0.641 0.579 1.000 0.889 O 1.109 Z: 6 6.381 1.745 0.685 0.368 0.800 0.600 N 1.398 6 residues pruned to eliminate duplicates Z: 6 4.994 1.593 0.044 0.668 1.000 0.800 N 1.150 Z: 14 14.359 1.716 0.491 0.821 0.923 0.769 CB 1.277 Z: 12 10.558 1.733 0.108 0.843 1.000 0.909 CB 1.235 12 residues pruned to eliminate duplicates Z: 7 4.050 1.579 0.157 0.526 1.000 0.333 CB 0.883 Z: 12 14.412 1.733 0.660 0.774 0.909 0.727 CB 1.305 14 residues pruned to eliminate duplicates Z: 14 20.224 1.788 0.754 0.902 1.000 1.000 CB 1.276 12 residues pruned to eliminate duplicates Z: 7 9.653 1.819 0.350 0.813 1.000 0.667 CB 1.222 7 residues pruned to eliminate duplicates 7 1.850 1.475 0.394 0.247 0.500 0.333 N 0.984 ? Z: 10 8.533 1.693 0.469 0.644 0.889 0.556 CB 1.124 10 residues pruned to eliminate duplicates Z: 22 9.831 1.793 0.441 0.421 0.905 0.476 CB 0.997 Z: 11 14.120 1.799 0.255 0.924 1.000 1.000 CB 1.388 13 residues pruned to eliminate duplicates Z: 16 11.783 1.822 0.592 0.473 1.000 0.667 CB 1.078 22 residues pruned to eliminate duplicates Z: 10 11.920 1.659 0.390 0.839 1.000 0.778 CB 1.287 Z: 16 12.996 1.800 0.835 0.545 0.800 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 12 5.251 1.614 0.362 0.450 0.909 0.364 CB 0.834 8 residues pruned to eliminate duplicates Z: 7 2.499 1.626 0.393 0.364 0.833 0.500 CB 0.626 7 residues pruned to eliminate duplicates Z: 7 8.090 1.747 0.321 0.893 1.000 1.000 CB 1.027 Z: 13 19.212 1.831 0.825 0.943 1.000 0.917 CB 1.150 13 residues pruned to eliminate duplicates Z: 7 9.072 1.790 0.135 0.900 1.000 1.000 CB 1.303 Z: 7 10.795 1.703 0.576 0.888 1.000 0.833 CB 1.183 7 residues pruned to eliminate duplicates Z: 12 6.624 1.758 0.452 0.404 0.818 0.545 CA 1.057 6 1.148 1.561 -0.087 0.467 0.600 0.400 CB 0.621 ? Z: 11 10.699 1.715 0.259 0.825 0.900 0.800 CA 1.313 Z: 12 25.661 1.923 1.062 0.826 1.000 0.818 CA 1.471 12 residues pruned to eliminate duplicates Z: 10 9.879 1.705 0.298 0.724 1.000 0.889 CB 1.216 10 residues pruned to eliminate duplicates Z: 15 12.670 1.701 0.175 0.843 1.000 0.857 CA 1.261 16 residues pruned to eliminate duplicates Z: 11 6.878 1.590 0.532 0.789 0.800 0.600 CB 0.866 11 residues pruned to eliminate duplicates Z: 11 9.265 1.603 0.169 0.821 0.900 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 11 10.146 1.532 0.342 0.791 1.000 0.600 CA 1.209 Z: 7 9.625 1.719 0.461 0.880 1.000 0.833 CB 1.134 7 residues pruned to eliminate duplicates Z: 13 14.876 1.613 0.666 0.768 1.000 0.500 N 1.260 11 residues pruned to eliminate duplicates Z: 12 11.687 1.651 0.906 0.737 0.909 0.818 CB 0.996 12 residues pruned to eliminate duplicates Z: 7 7.409 1.842 0.442 0.400 1.000 0.500 N 1.264 7 residues pruned to eliminate duplicates Z: 14 14.486 1.570 0.607 0.906 1.000 1.000 CA 1.133 11 residues pruned to eliminate duplicates Z: 34 13.929 1.706 0.495 0.474 0.879 0.606 CA 1.110 Z: 6 4.826 1.574 0.103 0.823 1.000 1.000 CA 0.940 5 residues pruned to eliminate duplicates Z: 6 3.383 1.657 0.283 0.509 0.600 0.400 O 1.177 Z: 13 15.195 1.826 0.712 0.787 0.833 0.833 CB 1.308 17 residues pruned to eliminate duplicates Z: 7 8.094 1.857 -0.093 0.892 1.000 1.000 CB 1.410 7 residues pruned to eliminate duplicates Z: 9 8.994 1.730 0.238 0.740 1.000 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 7 5.666 1.564 0.256 0.657 0.833 0.500 CB 1.222 Z: 10 13.294 1.808 0.421 0.887 1.000 1.000 CA 1.243 10 residues pruned to eliminate duplicates Z: 10 9.568 1.647 0.631 0.562 0.889 0.667 CB 1.257 10 residues pruned to eliminate duplicates Z: 13 13.514 1.624 0.456 0.879 1.000 0.833 CA 1.197 13 residues pruned to eliminate duplicates Z: 12 18.951 1.746 0.673 0.898 1.000 0.909 CA 1.400 12 residues pruned to eliminate duplicates Z: 12 18.419 1.892 0.851 0.874 0.909 0.909 CA 1.270 12 residues pruned to eliminate duplicates Z: 7 10.286 1.606 0.441 0.862 1.000 1.000 N 1.332 Z: 42 14.284 1.628 0.408 0.546 0.854 0.659 CB 1.090 30 residues pruned to eliminate duplicates 6 1.826 1.364 1.049 0.466 0.600 0.400 CB 0.505 ? Z: 9 6.671 1.449 0.667 0.674 0.750 0.375 CA 1.110 9 residues pruned to eliminate duplicates Z: 8 8.447 1.704 0.463 0.780 0.857 0.571 CB 1.168 8 residues pruned to eliminate duplicates Z: 19 15.539 1.787 0.608 0.485 0.944 0.500 CB 1.371 19 residues pruned to eliminate duplicates Z: 23 9.272 1.830 0.470 0.415 0.909 0.682 CB 0.883 16 residues pruned to eliminate duplicates Z: 13 12.288 1.733 0.413 0.884 1.000 0.750 CB 1.047 14 residues pruned to eliminate duplicates Z: 18 9.382 1.589 0.524 0.402 0.824 0.588 CB 1.265 Z: 13 10.658 1.730 0.302 0.710 0.917 0.417 CB 1.231 19 residues pruned to eliminate duplicates Z: 12 20.948 1.872 0.755 0.920 1.000 0.909 CB 1.353 13 residues pruned to eliminate duplicates Z: 9 3.287 1.514 0.430 0.391 0.625 0.375 CB 0.963 Z: 7 2.503 1.279 0.254 0.512 0.667 0.167 N 0.944 Z: 6 9.329 1.790 0.402 0.778 1.000 1.000 CA 1.300 Z: 9 12.376 1.688 0.521 0.849 1.000 0.750 CA 1.264 8 residues pruned to eliminate duplicates Z: 15 14.564 1.841 0.499 0.652 0.857 0.857 CB 1.428 16 residues pruned to eliminate duplicates Z: 14 19.989 1.769 0.824 0.920 1.000 0.769 CB 1.210 13 residues pruned to eliminate duplicates Z: 6 3.608 1.459 0.973 0.451 1.000 0.800 CB 0.590 Z: 11 11.085 1.773 0.655 0.669 0.900 0.700 CB 1.136 Z: 20 12.944 1.797 0.647 0.346 0.842 0.526 CB 1.408 20 residues pruned to eliminate duplicates Z: 8 7.831 1.472 0.700 0.873 1.000 0.571 CB 0.861 Z: 12 19.835 1.838 0.975 0.800 1.000 0.727 CA 1.268 12 residues pruned to eliminate duplicates Z: 13 17.727 1.942 0.739 0.796 0.917 0.833 CB 1.276 14 residues pruned to eliminate duplicates Z: 14 9.487 1.609 0.618 0.705 0.846 0.615 CB 0.991 Z: 9 10.753 1.708 0.559 0.865 0.875 0.875 CA 1.195 Z: 10 12.254 1.659 0.939 0.781 0.889 0.778 CA 1.116 Z: 6 6.715 1.917 -0.114 0.887 1.000 1.000 CA 1.274 6 residues pruned to eliminate duplicates Z: 14 18.932 1.705 0.774 0.923 1.000 0.846 CA 1.220 14 residues pruned to eliminate duplicates Z: 6 8.627 1.705 1.088 0.674 0.800 0.800 CA 1.154 Z: 11 13.830 1.737 0.511 0.919 0.900 0.900 CA 1.305 11 residues pruned to eliminate duplicates Z: 7 6.579 1.471 0.506 0.826 1.000 0.833 CB 0.915 Z: 9 11.778 1.588 0.874 0.892 1.000 1.000 CB 1.005 9 residues pruned to eliminate duplicates Z: 8 3.044 1.269 0.468 0.605 0.714 0.571 CB 0.782 Z: 7 5.701 1.535 0.140 0.869 0.833 0.667 CA 1.166 Z: 12 10.682 1.660 0.390 0.848 0.909 0.636 CB 1.139 12 residues pruned to eliminate duplicates Z: 13 11.221 1.708 0.242 0.877 1.000 0.667 CB 1.109 13 residues pruned to eliminate duplicates Z: 14 8.524 1.601 0.200 0.904 1.000 1.000 CB 0.877 13 residues pruned to eliminate duplicates Z: 11 6.022 1.661 0.600 0.453 0.700 0.700 CB 1.075 Z: 8 8.829 1.542 0.738 0.748 0.857 0.714 N 1.164 7 residues pruned to eliminate duplicates Z: 9 12.487 1.846 0.593 0.724 1.000 0.875 CB 1.227 9 residues pruned to eliminate duplicates Z: 15 13.174 1.558 0.532 0.851 0.929 0.643 CB 1.176 15 residues pruned to eliminate duplicates Z: 8 3.353 1.587 0.527 0.321 0.714 0.429 N 0.892 7 residues pruned to eliminate duplicates Z: 10 6.593 1.572 0.725 0.604 0.778 0.667 CB 0.943 Z: 12 11.609 1.580 0.653 0.873 1.000 1.000 N 0.976 9 residues pruned to eliminate duplicates Z: 8 12.221 1.698 0.804 0.865 1.000 0.714 N 1.104 9 residues pruned to eliminate duplicates Z: 12 6.796 1.651 0.444 0.469 0.818 0.636 N 1.084 11 residues pruned to eliminate duplicates Z: 22 12.218 1.776 0.447 0.474 0.905 0.619 CA 1.178 21 residues pruned to eliminate duplicates Z: 9 6.597 1.565 0.362 0.430 0.875 0.500 N 1.345 Z: 14 11.399 1.640 0.364 0.809 1.000 0.615 CB 1.080 21 residues pruned to eliminate duplicates Z: 7 10.384 1.588 0.876 0.832 1.000 0.667 N 1.068 7 residues pruned to eliminate duplicates Z: 11 10.012 1.616 0.172 0.884 1.000 0.800 CA 1.207 10 residues pruned to eliminate duplicates Z: 7 5.863 1.345 0.833 0.824 0.833 0.667 CA 0.880 Z: 6 2.895 1.458 0.179 0.709 1.000 0.800 CB 0.623 6 residues pruned to eliminate duplicates Z: 16 11.550 1.809 0.440 0.594 0.867 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 13 19.354 1.606 1.116 0.893 1.000 0.667 CB 1.180 16 residues pruned to eliminate duplicates Z: 10 5.248 1.549 0.160 0.513 0.889 0.444 CB 1.081 Z: 12 13.058 1.886 0.385 0.589 1.000 0.636 CA 1.384 13 residues pruned to eliminate duplicates Z: 6 7.869 1.591 0.532 0.835 1.000 0.800 N 1.081 Z: 9 9.155 1.713 0.883 0.792 0.875 0.875 CB 0.888 Z: 8 6.677 1.474 0.341 0.725 1.000 0.571 N 1.042 7 residues pruned to eliminate duplicates Z: 15 8.638 1.578 0.679 0.353 0.857 0.429 CA 1.191 10 residues pruned to eliminate duplicates Z: 13 7.614 1.681 0.285 0.805 0.917 0.750 CB 0.851 13 residues pruned to eliminate duplicates Z: 12 10.478 1.427 0.896 0.693 0.909 0.636 CB 1.076 12 residues pruned to eliminate duplicates Z: 24 13.378 1.706 0.436 0.540 0.826 0.565 CB 1.326 23 residues pruned to eliminate duplicates Z: 9 6.351 1.640 0.720 0.366 0.875 0.750 CB 1.051 Z: 15 23.017 1.782 1.193 0.807 0.929 0.643 CB 1.298 15 residues pruned to eliminate duplicates Z: 10 3.697 1.691 -0.046 0.311 0.778 0.222 CB 1.211 10 residues pruned to eliminate duplicates Z: 24 23.893 1.840 0.714 0.665 0.913 0.870 N 1.485 24 residues pruned to eliminate duplicates Z: 7 2.161 1.271 0.696 0.227 0.500 0.333 O 1.126 Z: 6 11.267 1.705 0.705 0.847 1.000 1.000 CA 1.287 Z: 9 13.155 1.816 0.845 0.535 1.000 0.750 CB 1.341 8 residues pruned to eliminate duplicates Z: 8 5.771 1.699 0.942 0.464 0.714 0.571 N 0.960 Z: 11 11.392 1.634 0.214 0.866 1.000 0.800 CB 1.329 11 residues pruned to eliminate duplicates Z: 12 6.269 1.491 0.376 0.461 0.818 0.545 CB 1.173 9 residues pruned to eliminate duplicates Z: 8 13.256 1.618 0.685 0.897 1.000 0.857 CB 1.316 6 1.413 1.547 0.172 0.448 1.000 0.600 CB 0.368 ? Z: 10 14.007 1.706 0.615 0.868 1.000 1.000 CB 1.239 8 residues pruned to eliminate duplicates Z: 12 17.496 1.843 1.044 0.823 0.909 0.909 CB 1.165 13 residues pruned to eliminate duplicates Z: 14 11.685 1.836 0.223 0.661 0.923 0.692 CB 1.347 14 residues pruned to eliminate duplicates Z: 7 4.977 1.459 0.555 0.477 1.000 0.667 CB 0.917 8 residues pruned to eliminate duplicates Z: 7 6.822 1.590 0.520 0.626 1.000 0.667 CB 1.024 7 residues pruned to eliminate duplicates Z: 11 12.108 1.785 0.460 0.601 1.000 0.700 CB 1.334 16 residues pruned to eliminate duplicates Z: 8 3.844 1.473 0.001 0.605 1.000 0.571 CB 0.892 8 residues pruned to eliminate duplicates Z: 12 13.886 1.819 0.270 0.908 1.000 1.000 CA 1.287 12 residues pruned to eliminate duplicates Z: 10 11.382 1.754 0.637 0.724 0.889 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 18 17.162 1.815 0.622 0.460 0.941 0.588 CA 1.565 18 residues pruned to eliminate duplicates Z: 20 10.800 1.657 0.475 0.388 0.842 0.632 CA 1.356 20 residues pruned to eliminate duplicates Z: 10 7.293 1.739 0.052 0.880 1.000 1.000 CB 0.964 10 residues pruned to eliminate duplicates Z: 7 5.835 1.544 0.933 0.495 0.833 0.833 N 0.963 Z: 12 10.331 1.686 0.281 0.898 0.909 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 14 12.555 1.689 0.360 0.826 1.000 0.692 CB 1.143 14 residues pruned to eliminate duplicates Z: 11 18.460 1.833 0.937 0.831 1.000 0.900 CA 1.235 12 residues pruned to eliminate duplicates Z: 14 9.378 1.561 0.240 0.755 1.000 0.846 CA 1.071 14 residues pruned to eliminate duplicates Z: 6 11.651 1.484 1.307 0.757 1.000 0.800 CA 1.211 Z: 11 8.977 1.718 0.658 0.469 0.900 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 7 6.840 1.503 0.504 0.793 1.000 0.833 CB 0.956 7 residues pruned to eliminate duplicates Z: 21 14.463 1.700 0.549 0.514 0.900 0.600 CB 1.345 19 residues pruned to eliminate duplicates Z: 9 8.933 1.863 -0.151 0.909 1.000 1.000 CA 1.417 11 residues pruned to eliminate duplicates 6 1.850 1.545 0.153 0.290 0.800 0.800 CA 0.735 ? Z: 6 2.694 1.266 0.132 0.493 0.800 0.600 O 1.058 Z: 18 12.542 1.708 0.402 0.587 0.941 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 9 5.514 1.571 0.348 0.847 1.000 0.750 CB 0.684 9 residues pruned to eliminate duplicates Z: 18 7.827 1.511 0.683 0.291 0.882 0.471 CB 1.070 12 residues pruned to eliminate duplicates Z: 8 10.204 1.747 1.148 0.815 1.000 1.000 CA 0.782 Z: 8 5.586 1.639 0.264 0.786 1.000 0.714 CB 0.792 Z: 6 3.958 1.685 0.039 0.759 0.800 0.800 CB 1.004 6 residues pruned to eliminate duplicates Z: 8 3.239 1.429 0.088 0.349 1.000 0.571 CB 0.927 Z: 15 16.017 1.712 0.771 0.762 0.929 0.643 CB 1.205 12 residues pruned to eliminate duplicates Z: 6 3.589 1.508 -0.011 0.571 1.000 1.000 N 1.005 Z: 8 5.464 1.437 0.807 0.791 0.714 0.714 CA 0.863 7 residues pruned to eliminate duplicates Z: 11 12.378 1.744 0.339 0.893 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 18 12.478 1.683 0.515 0.477 0.941 0.588 CB 1.290 14 residues pruned to eliminate duplicates Z: 12 12.111 1.739 0.597 0.846 1.000 0.636 CB 0.976 12 residues pruned to eliminate duplicates Z: 13 12.623 1.636 0.523 0.924 1.000 0.583 CB 1.027 13 residues pruned to eliminate duplicates Z: 14 15.513 1.618 0.836 0.894 1.000 0.692 CB 1.039 14 residues pruned to eliminate duplicates Z: 12 8.708 1.758 0.711 0.380 1.000 0.636 CB 0.992 10 residues pruned to eliminate duplicates Z: 7 7.559 1.476 0.654 0.722 1.000 0.833 CB 1.034 7 residues pruned to eliminate duplicates Z: 11 8.563 1.521 0.534 0.794 0.900 0.500 CB 0.997 7 residues pruned to eliminate duplicates Z: 11 20.027 1.838 1.004 0.872 1.000 1.000 CA 1.253 11 residues pruned to eliminate duplicates Z: 8 7.192 1.335 0.521 0.876 1.000 0.714 N 0.973 7 residues pruned to eliminate duplicates Z: 11 11.483 1.554 0.612 0.844 1.000 0.700 CA 1.078 11 residues pruned to eliminate duplicates Z: 11 5.962 1.473 0.529 0.781 0.900 0.400 CB 0.726 6 residues pruned to eliminate duplicates Z: 13 8.004 1.646 0.545 0.557 0.833 0.500 CA 1.031 Z: 13 9.932 1.753 0.200 0.813 0.917 0.833 CB 1.132 13 residues pruned to eliminate duplicates 6 1.380 1.685 0.171 0.284 0.600 0.600 CB 0.665 ? Z: 16 11.635 1.709 0.465 0.496 0.933 0.600 CB 1.291 13 residues pruned to eliminate duplicates Z: 8 7.388 1.530 0.182 0.781 1.000 1.000 CB 1.205 8 residues pruned to eliminate duplicates Z: 7 2.314 1.412 -0.069 0.521 0.833 0.500 CB 0.844 Z: 14 10.252 1.770 0.723 0.663 0.846 0.769 CB 0.947 14 residues pruned to eliminate duplicates Z: 13 13.803 1.714 0.786 0.877 0.917 0.583 CB 1.031 9 residues pruned to eliminate duplicates Z: 8 11.382 1.652 0.438 0.884 1.000 0.857 CA 1.309 8 residues pruned to eliminate duplicates Z: 8 3.444 1.411 0.168 0.321 0.857 0.714 CA 1.123 8 residues pruned to eliminate duplicates Z: 16 9.435 1.647 0.433 0.505 0.933 0.533 N 1.101 7 residues pruned to eliminate duplicates Z: 9 10.202 1.590 0.551 0.869 1.000 0.625 CB 1.069 9 residues pruned to eliminate duplicates Z: 20 12.499 1.671 0.501 0.591 0.895 0.421 CA 1.172 20 residues pruned to eliminate duplicates Z: 15 14.450 1.537 0.753 0.854 0.929 0.786 CB 1.140 14 residues pruned to eliminate duplicates Z: 8 7.969 1.867 0.361 0.369 0.857 0.286 N 1.592 8 residues pruned to eliminate duplicates Z: 9 9.905 1.651 0.263 0.908 1.000 0.875 CA 1.193 9 residues pruned to eliminate duplicates Z: 10 3.386 1.516 0.334 0.296 0.778 0.444 N 0.902 Z: 7 6.947 1.539 0.618 0.691 0.833 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 14 9.773 1.533 0.624 0.781 0.923 0.615 CB 0.921 14 residues pruned to eliminate duplicates Z: 6 3.722 1.332 0.103 0.502 1.000 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 6 4.094 1.543 0.302 0.498 0.800 0.800 O 1.142 Z: 13 5.530 1.500 0.637 0.484 0.750 0.583 CB 0.881 Z: 34 10.146 1.649 0.354 0.486 0.848 0.576 CB 0.945 34 residues pruned to eliminate duplicates Z: 7 7.380 1.782 0.195 0.549 1.000 0.667 CB 1.350 Z: 11 6.664 1.814 0.531 0.358 1.000 0.600 CB 0.884 13 residues pruned to eliminate duplicates Z: 15 8.879 1.525 0.749 0.523 0.786 0.571 N 1.107 8 residues pruned to eliminate duplicates Z: 13 16.125 1.600 0.710 0.891 1.000 0.833 CB 1.223 13 residues pruned to eliminate duplicates Z: 17 11.345 1.849 0.463 0.575 0.875 0.562 CA 1.115 17 residues pruned to eliminate duplicates Z: 10 7.565 1.612 0.422 0.809 1.000 0.667 CB 0.841 10 residues pruned to eliminate duplicates Z: 10 4.865 1.512 0.539 0.275 0.778 0.444 CB 1.157 Z: 7 3.108 1.814 0.490 0.343 1.000 0.500 CA 0.557 7 residues pruned to eliminate duplicates Z: 12 16.079 1.653 0.876 0.863 0.909 0.364 CA 1.261 17 residues pruned to eliminate duplicates Z: 11 7.222 1.703 0.228 0.550 0.900 0.600 N 1.155 18 residues pruned to eliminate duplicates Z: 12 9.150 1.552 0.665 0.506 1.000 0.727 CB 1.061 12 residues pruned to eliminate duplicates Z: 12 11.991 1.699 0.806 0.651 1.000 0.818 CB 1.024 6 0.913 1.363 0.600 0.352 0.600 0.400 CB 0.366 ? Z: 12 7.504 1.315 0.643 0.845 0.909 0.636 CB 0.856 12 residues pruned to eliminate duplicates Z: 15 12.975 1.706 0.166 0.838 1.000 0.714 CA 1.303 15 residues pruned to eliminate duplicates Z: 9 5.724 1.447 0.397 0.682 0.875 0.250 CB 0.968 Z: 15 6.903 1.551 0.566 0.313 0.857 0.500 CB 1.090 15 residues pruned to eliminate duplicates Z: 7 8.270 1.670 0.402 0.695 1.000 0.667 CA 1.207 7 residues pruned to eliminate duplicates Z: 16 9.019 1.784 0.517 0.387 0.867 0.467 CB 1.119 14 residues pruned to eliminate duplicates Z: 11 13.961 1.702 0.865 0.847 1.000 0.800 CB 1.032 12 residues pruned to eliminate duplicates Z: 9 7.350 1.568 0.176 0.804 1.000 0.750 CB 1.081 9 residues pruned to eliminate duplicates Z: 10 6.750 1.599 0.280 0.629 1.000 0.889 CA 0.974 10 residues pruned to eliminate duplicates Z: 25 17.859 1.712 0.697 0.658 0.917 0.750 CB 1.182 24 residues pruned to eliminate duplicates Z: 7 8.163 1.616 0.654 0.740 1.000 0.833 CB 1.006 7 residues pruned to eliminate duplicates Z: 17 12.559 1.638 0.422 0.800 1.000 0.688 CA 1.037 23 residues pruned to eliminate duplicates Z: 9 9.761 1.702 0.210 0.853 1.000 0.750 CB 1.239 9 residues pruned to eliminate duplicates Z: 13 16.347 1.849 0.735 0.706 0.917 0.833 CA 1.330 13 residues pruned to eliminate duplicates Z: 7 3.649 1.487 0.161 0.707 0.833 0.667 CB 0.858 Z: 12 9.760 1.604 0.179 0.878 1.000 0.727 CA 1.130 12 residues pruned to eliminate duplicates Z: 20 13.927 1.744 0.721 0.431 0.895 0.474 CB 1.278 20 residues pruned to eliminate duplicates Z: 8 6.865 1.496 0.509 0.759 0.857 0.714 N 1.065 8 residues pruned to eliminate duplicates Z: 16 11.872 1.488 0.487 0.822 0.867 0.667 CB 1.209 8 residues pruned to eliminate duplicates Z: 14 17.589 1.641 0.776 0.912 1.000 0.769 CB 1.185 14 residues pruned to eliminate duplicates Z: 10 8.723 1.559 0.345 0.816 0.889 0.444 CB 1.185 10 residues pruned to eliminate duplicates Z: 24 8.737 1.575 0.292 0.444 0.826 0.478 CB 1.148 25 residues pruned to eliminate duplicates Z: 8 8.923 1.826 0.518 0.597 0.857 0.714 N 1.294 Z: 25 9.979 1.671 0.338 0.421 0.875 0.500 CB 1.131 25 residues pruned to eliminate duplicates Z: 10 5.698 1.701 0.723 0.877 0.889 0.556 CB 0.530 Z: 9 13.234 1.732 0.955 0.749 0.875 0.750 N 1.265 11 residues pruned to eliminate duplicates Z: 7 7.391 1.723 0.294 0.778 0.833 0.667 CA 1.270 7 residues pruned to eliminate duplicates Z: 6 4.700 1.627 0.405 0.705 0.800 0.600 CB 0.953 Z: 14 18.912 1.734 0.883 0.896 0.923 0.846 CB 1.246 14 residues pruned to eliminate duplicates Z: 14 10.745 1.727 0.476 0.614 0.923 0.692 CB 1.137 14 residues pruned to eliminate duplicates Z: 10 12.620 1.711 0.349 0.905 1.000 1.000 CB 1.297 10 residues pruned to eliminate duplicates Z: 10 8.837 1.549 0.604 0.850 1.000 0.778 CB 0.878 11 residues pruned to eliminate duplicates Z: 15 11.971 1.716 0.348 0.703 0.929 0.786 CB 1.237 16 residues pruned to eliminate duplicates Z: 6 2.671 1.099 0.811 0.491 1.000 0.600 CB 0.606 Z: 17 13.653 1.748 0.661 0.602 1.000 0.688 CA 1.067 19 residues pruned to eliminate duplicates Z: 12 12.925 1.721 0.424 0.847 1.000 0.909 CB 1.181 12 residues pruned to eliminate duplicates Z: 10 10.640 1.655 0.360 0.740 1.000 0.889 N 1.271 10 residues pruned to eliminate duplicates Z: 9 7.424 1.501 0.335 0.814 0.875 0.750 N 1.139 6 1.246 1.575 0.397 0.879 1.000 1.000 CB 0.184 ? Z: 7 13.148 1.870 0.501 0.764 1.000 0.667 CA 1.512 6 residues pruned to eliminate duplicates Z: 7 5.329 1.476 0.258 0.587 0.833 0.667 O 1.294 Z: 9 6.935 1.798 0.426 0.639 0.875 0.875 CA 0.960 9 residues pruned to eliminate duplicates Z: 32 9.462 1.580 0.478 0.304 0.774 0.355 CB 1.170 24 residues pruned to eliminate duplicates Z: 22 15.103 1.698 0.377 0.551 0.952 0.667 N 1.409 22 residues pruned to eliminate duplicates Z: 6 3.950 1.657 0.406 0.299 0.800 0.600 CB 1.186 Z: 6 7.597 1.752 0.334 0.865 1.000 0.800 CB 1.065 6 residues pruned to eliminate duplicates Z: 7 3.593 1.562 0.277 0.623 0.833 0.667 CB 0.786 7 residues pruned to eliminate duplicates Z: 15 12.928 1.473 0.599 0.891 0.929 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 24 9.141 1.626 0.349 0.360 0.870 0.261 CB 1.162 32 residues pruned to eliminate duplicates Z: 10 12.547 1.726 0.651 0.859 1.000 1.000 CA 1.080 8 residues pruned to eliminate duplicates Z: 9 3.174 1.456 0.318 0.251 0.750 0.500 C 1.039 Z: 11 7.229 1.534 0.896 0.629 0.800 0.700 CB 0.870 13 residues pruned to eliminate duplicates Z: 16 8.948 1.455 0.598 0.745 0.867 0.533 CB 0.921 17 residues pruned to eliminate duplicates Z: 6 3.103 1.205 0.298 0.569 1.000 0.600 C 0.830 Z: 9 10.581 1.804 0.296 0.798 1.000 1.000 CA 1.233 9 residues pruned to eliminate duplicates Z: 7 4.039 1.634 0.066 0.739 0.833 0.833 CB 0.917 7 residues pruned to eliminate duplicates Z: 16 7.495 1.624 0.519 0.622 0.867 0.800 CB 0.807 17 residues pruned to eliminate duplicates Z: 17 15.747 1.757 0.761 0.668 0.938 0.688 CA 1.162 16 residues pruned to eliminate duplicates Z: 9 6.069 1.368 0.417 0.820 1.000 0.750 CB 0.838 9 residues pruned to eliminate duplicates Z: 63 26.784 1.715 0.519 0.580 0.952 0.694 CA 1.271 80 residues pruned to eliminate duplicates Z: 7 6.714 1.691 0.241 0.747 1.000 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 8 6.705 1.598 0.741 0.655 0.857 0.714 CA 0.920 3 residues pruned to eliminate duplicates Z: 7 2.464 1.435 0.125 0.376 0.667 0.667 CB 1.067 Z: 11 16.441 1.772 0.533 0.917 1.000 1.000 N 1.352 11 residues pruned to eliminate duplicates Z: 9 5.480 1.519 0.266 0.744 0.875 0.750 CB 0.926 9 residues pruned to eliminate duplicates Z: 12 13.766 1.644 0.557 0.904 1.000 0.727 CA 1.155 12 residues pruned to eliminate duplicates 7 1.387 1.454 0.122 0.258 0.500 0.500 CB 0.916 ? Z: 9 5.887 1.488 0.085 0.795 1.000 0.750 CB 0.995 9 residues pruned to eliminate duplicates Z: 13 18.566 1.739 0.801 0.903 1.000 0.750 CB 1.220 13 residues pruned to eliminate duplicates Z: 7 3.645 1.249 0.507 0.590 0.833 0.500 CA 0.870 Z: 6 6.100 1.720 0.214 0.888 1.000 1.000 CA 0.942 6 residues pruned to eliminate duplicates Z: 17 13.606 1.670 0.348 0.689 0.938 0.500 CB 1.356 17 residues pruned to eliminate duplicates Z: 15 14.769 1.704 0.440 0.781 1.000 0.714 CB 1.255 15 residues pruned to eliminate duplicates Z: 12 20.704 1.798 1.024 0.881 1.000 1.000 CB 1.242 11 residues pruned to eliminate duplicates Z: 20 8.393 1.580 0.412 0.366 0.947 0.421 CB 1.052 11 residues pruned to eliminate duplicates Z: 15 12.048 1.755 0.319 0.569 1.000 0.714 CB 1.302 15 residues pruned to eliminate duplicates Z: 7 3.557 1.448 0.686 0.457 0.833 0.500 CB 0.746 Z: 9 11.087 1.683 0.451 0.889 1.000 1.000 CB 1.156 9 residues pruned to eliminate duplicates Z: 14 4.699 1.441 0.253 0.247 0.846 0.462 CB 1.142 14 residues pruned to eliminate duplicates Z: 12 7.681 1.601 0.471 0.673 1.000 0.818 CB 0.838 Z: 10 8.265 1.558 0.451 0.887 0.889 0.778 CB 0.988 10 residues pruned to eliminate duplicates Z: 13 16.736 1.734 0.880 0.826 0.917 0.833 CB 1.220 14 residues pruned to eliminate duplicates Z: 9 4.483 1.636 0.026 0.696 0.875 0.625 N 0.902 Z: 16 13.519 1.574 0.885 0.786 0.933 0.533 CB 0.980 16 residues pruned to eliminate duplicates Z: 13 15.059 1.808 0.761 0.819 0.917 0.750 CB 1.129 15 residues pruned to eliminate duplicates Z: 10 5.953 1.553 0.529 0.407 0.889 0.556 N 1.036 10 residues pruned to eliminate duplicates Z: 7 2.492 1.442 0.367 0.247 0.667 0.500 C 1.037 Z: 16 12.312 1.745 0.393 0.654 0.867 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 7 3.923 1.582 0.349 0.476 0.833 0.500 CB 0.923 Z: 8 9.761 1.507 0.981 0.818 1.000 0.714 CB 0.937 8 residues pruned to eliminate duplicates Z: 7 4.753 1.499 0.423 0.834 0.667 0.667 CA 1.023 7 residues pruned to eliminate duplicates Z: 20 12.892 1.592 0.691 0.626 0.842 0.632 CB 1.159 20 residues pruned to eliminate duplicates Z: 9 9.565 1.563 0.901 0.635 0.875 0.875 CA 1.146 6 1.059 1.386 0.518 0.752 0.600 0.600 CB 0.300 ? Z: 24 23.787 1.863 0.683 0.661 0.913 0.783 CB 1.492 24 residues pruned to eliminate duplicates Z: 16 13.142 1.698 0.693 0.531 0.867 0.600 CA 1.321 16 residues pruned to eliminate duplicates Z: 14 12.114 1.573 0.874 0.813 1.000 0.462 CB 0.868 11 residues pruned to eliminate duplicates Z: 13 22.245 1.796 1.026 0.781 1.000 0.750 N 1.377 13 residues pruned to eliminate duplicates Z: 12 11.394 1.844 0.621 0.582 0.909 0.636 CA 1.168 12 residues pruned to eliminate duplicates Z: 9 4.084 1.426 0.588 0.790 1.000 1.000 CB 0.494 Z: 14 9.411 1.711 0.235 0.691 0.846 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 9 13.010 1.624 0.691 0.898 1.000 0.750 CB 1.198 9 residues pruned to eliminate duplicates Z: 15 12.661 1.700 0.254 0.808 1.000 0.857 CA 1.213 15 residues pruned to eliminate duplicates Z: 12 10.864 1.601 0.382 0.838 1.000 0.818 CA 1.107 12 residues pruned to eliminate duplicates Z: 10 6.989 1.402 0.818 0.726 0.889 0.778 CB 0.839 11 residues pruned to eliminate duplicates Z: 8 4.164 1.487 0.652 0.381 0.714 0.571 N 1.018 Z: 7 6.219 1.675 0.404 0.410 1.000 0.667 CA 1.186 7 residues pruned to eliminate duplicates 6 1.702 1.374 0.467 0.455 0.800 0.800 CB 0.494 ? Z: 6 4.625 1.483 0.661 0.692 0.800 0.400 CB 0.881 Z: 14 21.459 1.743 1.056 0.919 1.000 0.462 CB 1.170 14 residues pruned to eliminate duplicates Z: 17 13.203 1.630 0.484 0.733 0.938 0.625 CB 1.181 17 residues pruned to eliminate duplicates Z: 8 11.561 1.717 0.437 0.881 1.000 0.857 N 1.283 8 residues pruned to eliminate duplicates Z: 16 4.951 1.430 0.633 0.379 0.667 0.333 CB 0.934 Z: 54 26.416 1.762 0.552 0.636 0.943 0.604 CA 1.238 56 residues pruned to eliminate duplicates Z: 10 13.582 1.553 0.874 0.913 1.000 0.667 N 1.100 9 residues pruned to eliminate duplicates Z: 7 7.413 1.638 0.702 0.784 0.833 0.833 CB 1.014 7 residues pruned to eliminate duplicates Z: 12 20.403 1.778 0.827 0.919 1.000 0.909 CA 1.335 11 residues pruned to eliminate duplicates Z: 6 6.296 1.567 1.101 0.646 0.800 0.400 CB 0.932 6 residues pruned to eliminate duplicates Z: 6 4.452 1.625 0.978 0.363 0.600 0.400 N 1.196 6 residues pruned to eliminate duplicates Z: 11 10.868 1.582 0.543 0.862 0.900 0.700 CB 1.149 11 residues pruned to eliminate duplicates Z: 14 10.365 1.635 0.512 0.545 0.923 0.692 CA 1.206 12 residues pruned to eliminate duplicates Z: 13 6.810 1.525 0.355 0.743 0.833 0.667 CA 0.918 13 residues pruned to eliminate duplicates Z: 24 11.528 1.717 0.521 0.435 0.870 0.478 CB 1.131 24 residues pruned to eliminate duplicates Z: 13 6.773 1.723 0.509 0.381 0.833 0.500 CB 1.025 13 residues pruned to eliminate duplicates Z: 6 5.612 1.672 0.430 0.700 0.800 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 10 7.136 1.455 0.409 0.679 0.889 0.556 N 1.107 Z: 7 7.501 1.463 0.571 0.834 1.000 0.833 N 0.999 7 residues pruned to eliminate duplicates Z: 18 9.448 1.558 0.677 0.597 0.824 0.353 CB 0.971 18 residues pruned to eliminate duplicates Z: 7 2.840 1.518 0.534 0.246 0.667 0.500 CB 1.002 Z: 7 5.303 1.795 0.132 0.421 1.000 0.500 N 1.157 6 residues pruned to eliminate duplicates Z: 12 6.635 1.476 0.384 0.703 0.818 0.545 CA 0.995 12 residues pruned to eliminate duplicates 8 1.429 1.487 0.487 0.576 0.714 0.571 CB 0.318 ? Z: 16 13.232 1.705 0.669 0.610 0.800 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 11 8.289 1.826 0.205 0.612 1.000 0.600 CB 1.071 11 residues pruned to eliminate duplicates Z: 9 8.587 1.726 0.494 0.715 0.750 0.500 CB 1.292 9 residues pruned to eliminate duplicates Z: 9 7.156 1.553 0.442 0.799 1.000 0.750 N 0.869 Z: 9 2.142 1.482 0.437 0.725 0.750 0.375 CB 0.387 Z: 16 6.097 1.366 0.644 0.351 0.867 0.533 CB 0.951 Z: 13 4.795 1.288 0.965 0.322 0.583 0.333 CA 1.140 Z: 6 2.229 1.213 0.317 0.547 0.800 0.800 C 0.745 Z: 12 14.506 1.697 0.651 0.906 1.000 0.818 CB 1.111 12 residues pruned to eliminate duplicates Z: 11 3.153 1.532 -0.046 0.620 0.900 0.600 CB 0.677 11 residues pruned to eliminate duplicates Z: 14 11.003 1.546 0.311 0.856 1.000 0.923 CB 1.110 14 residues pruned to eliminate duplicates Z: 12 11.002 1.749 0.835 0.674 0.909 0.727 CB 0.968 12 residues pruned to eliminate duplicates Z: 10 5.551 1.395 0.402 0.624 0.778 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 20 10.522 1.748 0.537 0.534 0.895 0.684 CA 0.971 20 residues pruned to eliminate duplicates Z: 13 9.517 1.568 0.740 0.853 0.917 0.750 CB 0.811 13 residues pruned to eliminate duplicates Z: 6 3.599 1.466 -0.010 0.804 1.000 1.000 CB 0.851 Z: 9 9.976 1.500 0.629 0.864 0.875 0.750 N 1.210 8 residues pruned to eliminate duplicates Z: 9 6.543 1.320 0.333 0.847 1.000 0.750 CB 0.976 7 residues pruned to eliminate duplicates Z: 14 8.396 1.420 0.954 0.426 0.846 0.462 CB 1.071 13 residues pruned to eliminate duplicates Z: 7 7.244 1.586 0.505 0.747 0.833 0.667 CA 1.193 7 residues pruned to eliminate duplicates Z: 15 9.061 1.435 0.531 0.767 1.000 0.643 CA 0.870 15 residues pruned to eliminate duplicates Z: 8 3.556 1.387 0.638 0.803 0.714 0.571 CB 0.635 8 residues pruned to eliminate duplicates Z: 13 15.383 1.645 0.467 0.840 1.000 0.833 CA 1.373 13 residues pruned to eliminate duplicates Z: 18 10.923 1.765 0.522 0.588 0.824 0.706 CB 1.100 18 residues pruned to eliminate duplicates 6 1.962 1.756 0.443 0.597 1.000 0.600 CB 0.316 ? Z: 39 20.209 1.763 0.499 0.482 0.895 0.658 CB 1.412 39 residues pruned to eliminate duplicates Z: 10 7.291 1.507 0.549 0.815 1.000 0.667 CB 0.791 10 residues pruned to eliminate duplicates Z: 13 3.650 1.529 0.306 0.381 0.750 0.667 CB 0.798 Z: 7 6.155 1.535 0.420 0.689 0.833 0.833 CB 1.163 7 residues pruned to eliminate duplicates Z: 10 11.643 1.721 0.653 0.625 1.000 0.667 CA 1.213 10 residues pruned to eliminate duplicates Z: 12 5.342 1.323 0.533 0.808 0.909 0.818 CB 0.668 12 residues pruned to eliminate duplicates Z: 13 3.705 1.319 0.434 0.254 0.833 0.417 CA 0.900 Z: 10 5.346 1.524 0.280 0.439 0.889 0.667 CB 1.095 5 residues pruned to eliminate duplicates Z: 11 9.006 1.566 0.494 0.816 0.900 0.400 CB 1.028 11 residues pruned to eliminate duplicates Z: 7 5.006 1.658 0.561 0.679 1.000 0.500 CB 0.670 Z: 6 3.665 1.387 0.303 0.515 1.000 0.600 CB 0.894 Z: 9 2.947 1.318 0.212 0.677 1.000 0.875 CB 0.554 9 residues pruned to eliminate duplicates Z: 11 10.752 1.702 0.476 0.673 1.000 0.600 CA 1.153 11 residues pruned to eliminate duplicates Z: 8 7.288 1.494 0.410 0.736 1.000 0.857 CB 1.057 8 residues pruned to eliminate duplicates Z: 13 3.628 1.546 0.409 0.171 0.667 0.333 O 1.074 13 residues pruned to eliminate duplicates Z: 7 5.814 1.385 0.256 0.811 1.000 0.833 CB 1.041 6 1.250 1.563 0.186 0.812 1.000 0.800 CB 0.230 ? Z: 11 3.945 1.347 0.451 0.356 0.800 0.600 CB 0.932 Z: 8 2.203 1.230 0.446 0.212 0.714 0.571 N 0.921 Z: 24 18.509 1.787 0.599 0.603 0.870 0.696 CB 1.409 24 residues pruned to eliminate duplicates Z: 10 8.200 1.642 0.724 0.842 0.889 0.778 CA 0.809 10 residues pruned to eliminate duplicates Z: 7 3.415 1.392 0.182 0.318 0.833 0.500 N 1.243 Z: 11 15.085 1.883 0.930 0.673 0.900 0.800 CA 1.243 11 residues pruned to eliminate duplicates Z: 12 14.453 1.783 0.834 0.805 0.909 0.909 CA 1.123 11 residues pruned to eliminate duplicates Z: 22 10.985 1.657 0.449 0.511 0.857 0.571 CB 1.152 18 residues pruned to eliminate duplicates Z: 7 3.709 1.378 0.154 0.372 1.000 0.833 CA 1.092 Z: 24 15.240 1.537 0.685 0.788 0.957 0.609 CB 0.996 22 residues pruned to eliminate duplicates Z: 11 7.139 1.490 0.239 0.781 0.900 0.600 CB 1.061 12 residues pruned to eliminate duplicates Z: 6 2.953 1.439 0.380 0.482 0.800 0.600 O 0.847 Z: 12 15.642 1.796 0.789 0.800 0.909 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 9 6.421 1.581 0.606 0.498 0.750 0.625 CA 1.195 9 residues pruned to eliminate duplicates 7 1.953 1.621 0.142 0.143 0.500 0.333 CB 1.339 ? Z: 11 12.493 1.684 0.424 0.867 1.000 0.800 CB 1.205 11 residues pruned to eliminate duplicates Z: 7 6.093 1.585 0.312 0.737 0.833 0.667 CB 1.160 7 residues pruned to eliminate duplicates Z: 6 2.177 1.528 0.245 0.481 0.600 0.600 CA 0.870 Z: 12 10.331 1.606 0.402 0.834 1.000 0.727 CB 1.037 12 residues pruned to eliminate duplicates Z: 16 12.515 1.671 0.391 0.573 1.000 0.533 CB 1.296 16 residues pruned to eliminate duplicates 7 0.926 1.433 0.087 0.083 0.333 0.167 N 1.249 ? Z: 7 5.287 1.686 0.404 0.546 0.833 0.500 N 1.046 7 residues pruned to eliminate duplicates Z: 12 11.442 1.923 0.515 0.581 0.909 0.727 CB 1.206 12 residues pruned to eliminate duplicates Z: 9 3.244 1.414 0.469 0.413 0.625 0.625 N 0.968 Z: 8 10.292 1.742 0.753 0.683 1.000 0.857 CB 1.077 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 12.387 1.735 0.756 0.643 1.000 0.700 CA 1.125 8 residues pruned to eliminate duplicates Z: 6 2.570 1.205 0.187 0.401 1.000 0.800 N 0.891 6 1.602 1.258 0.310 0.465 1.000 0.800 CA 0.450 ? Z: 6 4.780 1.688 0.435 0.354 1.000 0.600 CB 1.034 Z: 9 9.300 1.451 0.465 0.859 1.000 0.625 CA 1.138 9 residues pruned to eliminate duplicates Z: 30 10.916 1.623 0.625 0.404 0.793 0.414 CB 1.072 30 residues pruned to eliminate duplicates Z: 7 3.816 1.586 0.303 0.666 0.833 0.833 CB 0.776 7 residues pruned to eliminate duplicates Z: 6 4.267 1.533 0.375 0.459 0.800 0.600 CB 1.180 6 residues pruned to eliminate duplicates Z: 6 2.789 1.580 0.206 0.589 0.800 0.600 CB 0.752 6 residues pruned to eliminate duplicates Z: 6 5.646 1.420 0.465 0.630 1.000 0.400 N 1.074 5 residues pruned to eliminate duplicates Z: 6 4.500 1.518 1.221 0.403 1.000 0.400 N 0.661 7 1.342 1.397 0.879 0.427 0.833 0.333 CB 0.270 ? Z: 6 3.670 1.459 0.978 0.457 1.000 0.800 CA 0.594 6 residues pruned to eliminate duplicates Z: 27 13.017 1.787 0.653 0.457 0.962 0.692 CA 0.940 34 residues pruned to eliminate duplicates Z: 6 2.809 1.761 0.237 0.460 0.600 0.200 CB 1.001 Z: 17 13.693 1.626 0.643 0.777 0.938 0.625 CB 1.071 23 residues pruned to eliminate duplicates Z: 15 8.060 1.671 0.343 0.675 0.857 0.571 CB 0.954 15 residues pruned to eliminate duplicates Z: 33 16.500 1.770 0.565 0.537 0.938 0.531 CB 1.083 33 residues pruned to eliminate duplicates Z: 14 10.363 1.577 0.481 0.860 1.000 0.769 CB 0.905 14 residues pruned to eliminate duplicates Z: 44 26.152 1.773 0.558 0.640 0.930 0.651 CB 1.362 44 residues pruned to eliminate duplicates Z: 14 12.244 1.622 0.655 0.797 0.846 0.538 CB 1.152 14 residues pruned to eliminate duplicates Z: 25 18.359 1.720 0.649 0.682 0.958 0.708 CB 1.167 25 residues pruned to eliminate duplicates Z: 36 18.846 1.742 0.511 0.682 0.943 0.714 CB 1.086 39 residues pruned to eliminate duplicates Z: 12 15.178 1.631 0.847 0.910 1.000 0.909 CB 1.078 12 residues pruned to eliminate duplicates Z: 13 6.712 1.536 0.442 0.493 0.917 0.833 CB 0.961 13 residues pruned to eliminate duplicates Z: 14 8.077 1.608 0.441 0.614 0.923 0.538 CA 0.940 14 residues pruned to eliminate duplicates Z: 26 15.815 1.648 0.589 0.748 0.920 0.560 CB 1.051 26 residues pruned to eliminate duplicates Z: 20 18.082 1.706 0.692 0.787 0.947 0.474 CB 1.178 20 residues pruned to eliminate duplicates Z: 23 16.608 1.687 0.678 0.759 0.955 0.500 CB 1.041 23 residues pruned to eliminate duplicates Z: 26 13.857 1.685 0.510 0.625 0.920 0.480 CB 1.052 26 residues pruned to eliminate duplicates Z: 21 14.424 1.643 0.501 0.708 0.900 0.600 CB 1.204 21 residues pruned to eliminate duplicates Z: 16 11.652 1.619 0.464 0.635 0.933 0.400 CB 1.198 16 residues pruned to eliminate duplicates Z: 13 11.038 1.690 0.640 0.671 0.833 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 20 10.661 1.611 0.476 0.444 0.842 0.684 CB 1.294 20 residues pruned to eliminate duplicates Z: 26 19.112 1.827 0.458 0.692 0.960 0.720 CB 1.254 26 residues pruned to eliminate duplicates Z: 14 12.073 1.730 0.574 0.761 0.846 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 31 22.041 1.846 0.600 0.582 0.967 0.633 CB 1.303 31 residues pruned to eliminate duplicates Z: 22 13.118 1.634 0.570 0.634 0.905 0.619 CB 1.088 22 residues pruned to eliminate duplicates Z: 15 13.089 1.620 0.556 0.786 0.929 0.500 CB 1.162 15 residues pruned to eliminate duplicates Z: 28 18.603 1.774 0.572 0.575 0.926 0.481 CA 1.289 28 residues pruned to eliminate duplicates Z: 28 17.564 1.736 0.429 0.628 0.926 0.481 CA 1.304 28 residues pruned to eliminate duplicates Z: 30 21.490 1.834 0.614 0.559 0.931 0.552 CA 1.367 30 residues pruned to eliminate duplicates Z: 27 19.173 1.816 0.523 0.660 0.885 0.615 CB 1.325 27 residues pruned to eliminate duplicates Z: 25 18.535 1.769 0.542 0.508 0.958 0.542 CB 1.436 25 residues pruned to eliminate duplicates Z: 37 23.416 1.705 0.717 0.568 0.972 0.389 CB 1.284 37 residues pruned to eliminate duplicates Z: 19 20.484 1.910 0.802 0.469 0.944 0.556 CB 1.533 19 residues pruned to eliminate duplicates Z: 15 16.029 1.838 0.655 0.506 0.929 0.500 CB 1.508 15 residues pruned to eliminate duplicates Z: 14 14.159 1.822 0.691 0.466 0.923 0.615 CB 1.429 14 residues pruned to eliminate duplicates Z: 20 15.819 1.817 0.663 0.454 0.895 0.421 CA 1.407 20 residues pruned to eliminate duplicates Z: 15 11.764 1.748 0.691 0.485 0.786 0.571 CA 1.375 15 residues pruned to eliminate duplicates Z: 20 17.849 1.847 0.773 0.421 0.947 0.579 CB 1.434 20 residues pruned to eliminate duplicates Z: 15 10.419 1.778 0.488 0.429 0.786 0.500 CA 1.441 15 residues pruned to eliminate duplicates Z: 20 18.233 1.844 0.781 0.424 0.895 0.474 CB 1.540 20 residues pruned to eliminate duplicates Z: 18 17.484 1.939 0.805 0.427 0.824 0.412 CB 1.587 18 residues pruned to eliminate duplicates Z: 34 16.192 1.740 0.577 0.414 0.879 0.394 CA 1.278 35 residues pruned to eliminate duplicates Z: 6 6.147 1.828 0.607 0.287 0.800 0.000 CA 1.486 6 residues pruned to eliminate duplicates Z: 19 16.357 1.878 0.733 0.428 0.833 0.556 CB 1.532 19 residues pruned to eliminate duplicates Z: 21 12.690 1.777 0.652 0.426 0.750 0.450 N 1.393 31 residues pruned to eliminate duplicates Z: 16 13.546 1.820 0.615 0.620 0.867 0.667 CB 1.225 16 residues pruned to eliminate duplicates Z: 14 12.806 1.819 0.574 0.620 0.923 0.769 CB 1.200 14 residues pruned to eliminate duplicates Z: 11 13.571 1.802 0.755 0.748 0.900 0.900 CB 1.208 11 residues pruned to eliminate duplicates Z: 11 15.602 1.881 0.800 0.786 0.900 0.900 CB 1.259 11 residues pruned to eliminate duplicates Z: 11 16.817 1.824 0.825 0.746 1.000 0.900 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 9.057 1.697 0.736 0.583 0.833 0.750 CB 0.983 13 residues pruned to eliminate duplicates Z: 15 12.203 1.711 0.610 0.497 0.929 0.643 CB 1.278 15 residues pruned to eliminate duplicates Z: 13 11.459 1.794 0.492 0.598 0.917 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 19 9.860 1.748 0.417 0.401 0.944 0.500 CB 1.102 19 residues pruned to eliminate duplicates Z: 17 11.246 1.792 0.298 0.523 0.938 0.562 CB 1.261 17 residues pruned to eliminate duplicates Z: 20 8.506 1.710 0.421 0.457 0.842 0.526 CB 0.997 27 residues pruned to eliminate duplicates Z: 12 10.516 1.716 0.306 0.791 1.000 0.818 CB 1.096 12 residues pruned to eliminate duplicates Z: 13 14.000 1.659 0.594 0.733 1.000 0.667 N 1.240 13 residues pruned to eliminate duplicates Z: 21 13.997 1.743 0.570 0.587 0.900 0.650 CB 1.169 21 residues pruned to eliminate duplicates Z: 12 14.897 1.615 0.919 0.862 0.909 0.818 CB 1.170 12 residues pruned to eliminate duplicates Z: 17 10.051 1.603 0.612 0.584 0.875 0.562 N 1.026 17 residues pruned to eliminate duplicates Z: 12 8.455 1.677 0.458 0.547 0.909 0.727 CB 1.095 12 residues pruned to eliminate duplicates Z: 10 6.673 1.523 0.700 0.704 0.889 0.333 N 0.802 10 residues pruned to eliminate duplicates Z: 9 7.792 1.598 0.790 0.585 0.875 0.500 CB 1.015 9 residues pruned to eliminate duplicates Z: 9 7.814 1.514 0.647 0.679 0.875 0.625 N 1.074 9 residues pruned to eliminate duplicates Z: 16 10.254 1.660 0.497 0.606 0.800 0.800 CB 1.204 16 residues pruned to eliminate duplicates Z: 17 11.162 1.659 0.280 0.691 0.938 0.812 CB 1.177 17 residues pruned to eliminate duplicates Z: 18 12.140 1.677 0.501 0.626 0.941 0.706 CB 1.103 18 residues pruned to eliminate duplicates Z: 30 15.572 1.714 0.514 0.633 0.897 0.759 CB 1.097 30 residues pruned to eliminate duplicates Z: 7 2.330 1.631 0.229 0.299 0.667 0.500 CB 0.892 Z: 7 4.343 1.528 -0.083 0.751 1.000 0.667 CB 1.012 18 residues pruned to eliminate duplicates Z: 10 5.838 1.529 0.082 0.817 1.000 0.333 CB 0.893 11 residues pruned to eliminate duplicates Z: 11 6.438 1.511 0.419 0.590 1.000 0.600 CB 0.871 9 residues pruned to eliminate duplicates Z: 11 6.565 1.497 0.493 0.636 0.900 0.500 CB 0.909 11 residues pruned to eliminate duplicates Z: 13 5.307 1.620 0.451 0.466 0.667 0.417 CB 1.012 9 residues pruned to eliminate duplicates 7 1.807 1.248 0.246 0.289 0.667 0.167 CB 0.902 ? Z: 6 4.670 1.239 1.052 0.442 1.000 0.600 N 0.872 6 residues pruned to eliminate duplicates Z: 12 13.249 1.798 0.716 0.772 0.909 0.909 CB 1.119 12 residues pruned to eliminate duplicates Z: 12 11.813 1.821 0.424 0.709 0.909 0.818 CB 1.250 12 residues pruned to eliminate duplicates Z: 14 12.154 1.739 0.712 0.725 0.923 0.846 CB 1.001 14 residues pruned to eliminate duplicates Z: 16 13.667 1.641 0.838 0.627 0.933 0.733 CB 1.112 16 residues pruned to eliminate duplicates Z: 18 9.005 1.663 0.787 0.485 0.824 0.647 CB 0.906 18 residues pruned to eliminate duplicates Z: 25 19.044 1.693 0.655 0.722 0.917 0.750 CA 1.238 25 residues pruned to eliminate duplicates Z: 19 18.068 1.845 0.736 0.679 0.944 0.722 CB 1.194 19 residues pruned to eliminate duplicates Z: 14 9.100 1.656 0.304 0.687 0.923 0.769 CA 1.067 14 residues pruned to eliminate duplicates Z: 14 13.542 1.681 0.468 0.763 1.000 0.846 N 1.205 14 residues pruned to eliminate duplicates Z: 13 16.564 1.752 0.601 0.768 1.000 0.750 CA 1.344 13 residues pruned to eliminate duplicates Z: 13 13.370 1.745 0.348 0.753 1.000 0.833 N 1.310 13 residues pruned to eliminate duplicates Z: 14 15.407 1.734 0.652 0.701 1.000 0.769 CB 1.242 13 residues pruned to eliminate duplicates Z: 12 17.776 1.799 0.622 0.858 1.000 0.636 CA 1.352 13 residues pruned to eliminate duplicates Z: 11 15.518 1.817 0.615 0.842 0.900 0.800 CA 1.385 11 residues pruned to eliminate duplicates Z: 13 15.189 1.733 0.640 0.739 1.000 0.917 CA 1.246 13 residues pruned to eliminate duplicates Z: 13 15.111 1.708 0.618 0.739 1.000 0.833 CA 1.274 13 residues pruned to eliminate duplicates Z: 14 8.255 1.625 0.598 0.601 0.769 0.385 CB 1.042 16 residues pruned to eliminate duplicates Z: 15 16.436 1.735 0.564 0.801 1.000 0.429 CB 1.245 15 residues pruned to eliminate duplicates Z: 26 11.780 1.700 0.583 0.581 0.760 0.480 CB 1.065 26 residues pruned to eliminate duplicates Z: 10 3.712 1.537 0.251 0.244 0.778 0.222 CB 1.113 10 residues pruned to eliminate duplicates Z: 6 4.052 1.501 0.779 0.613 0.800 0.400 CB 0.763 6 residues pruned to eliminate duplicates Z: 13 5.260 1.506 0.597 0.551 0.833 0.500 CB 0.721 13 residues pruned to eliminate duplicates Z: 15 7.464 1.464 0.633 0.511 1.000 0.429 CB 0.825 10 residues pruned to eliminate duplicates Z: 11 8.209 1.368 0.654 0.782 1.000 0.400 CB 0.895 11 residues pruned to eliminate duplicates Z: 18 7.367 1.556 0.645 0.555 0.941 0.471 CB 0.703 15 residues pruned to eliminate duplicates Z: 7 2.281 1.537 0.603 0.555 1.000 0.333 CB 0.358 7 residues pruned to eliminate duplicates Z: 19 6.618 1.530 0.674 0.471 0.833 0.556 CB 0.753 19 residues pruned to eliminate duplicates Z: 17 7.657 1.613 0.560 0.544 0.938 0.438 CB 0.778 17 residues pruned to eliminate duplicates 7 1.963 1.411 1.049 0.172 0.500 0.000 CB 0.825 ? Z: 10 8.547 1.651 0.233 0.693 0.889 0.778 CA 1.320 10 residues pruned to eliminate duplicates Z: 10 9.777 1.667 0.083 0.848 1.000 0.667 CA 1.339 10 residues pruned to eliminate duplicates Z: 11 10.290 1.685 0.030 0.850 1.000 0.500 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 9.211 1.629 0.119 0.803 0.900 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 12 7.021 1.621 0.259 0.677 0.909 0.364 CB 0.969 12 residues pruned to eliminate duplicates Z: 13 10.500 1.631 0.623 0.714 0.917 0.667 CB 1.029 13 residues pruned to eliminate duplicates Z: 14 9.210 1.658 0.464 0.598 0.923 0.615 CB 1.039 14 residues pruned to eliminate duplicates Z: 12 10.429 1.556 0.664 0.858 0.909 0.455 CB 0.984 12 residues pruned to eliminate duplicates Z: 12 10.291 1.636 0.764 0.690 1.000 0.727 CB 0.903 12 residues pruned to eliminate duplicates Z: 10 6.201 1.645 0.627 0.529 0.889 0.556 CB 0.844 10 residues pruned to eliminate duplicates Z: 12 9.527 1.663 0.744 0.698 1.000 0.636 CB 0.826 12 residues pruned to eliminate duplicates Z: 19 12.507 1.671 0.480 0.706 1.000 0.722 CB 0.988 19 residues pruned to eliminate duplicates Z: 18 12.854 1.680 0.605 0.690 1.000 0.765 CB 0.971 18 residues pruned to eliminate duplicates Z: 20 10.569 1.606 0.423 0.645 1.000 0.632 CB 0.926 20 residues pruned to eliminate duplicates Z: 15 6.424 1.615 0.366 0.545 0.929 0.786 CA 0.802 15 residues pruned to eliminate duplicates Z: 13 6.088 1.609 0.395 0.366 0.917 0.583 CA 0.986 13 residues pruned to eliminate duplicates Z: 44 16.560 1.666 0.458 0.551 0.907 0.512 CB 1.090 44 residues pruned to eliminate duplicates Z: 10 7.060 1.528 0.522 0.670 0.778 0.556 N 1.113 10 residues pruned to eliminate duplicates Z: 10 6.115 1.489 0.435 0.589 0.889 0.444 N 0.985 10 residues pruned to eliminate duplicates Z: 10 5.507 1.606 0.508 0.551 0.667 0.333 N 1.081 10 residues pruned to eliminate duplicates Z: 9 3.503 1.560 0.515 0.295 0.625 0.375 N 1.055 9 residues pruned to eliminate duplicates Z: 25 11.505 1.753 0.371 0.465 0.875 0.625 CA 1.158 25 residues pruned to eliminate duplicates Z: 26 9.612 1.718 0.468 0.410 0.840 0.440 CA 0.998 26 residues pruned to eliminate duplicates Z: 20 10.357 1.733 0.418 0.460 0.947 0.526 CA 1.063 20 residues pruned to eliminate duplicates Z: 18 8.686 1.720 0.498 0.377 0.941 0.471 CA 0.990 18 residues pruned to eliminate duplicates Z: 17 8.001 1.691 0.399 0.422 0.938 0.562 CA 0.978 17 residues pruned to eliminate duplicates Z: 24 11.660 1.773 0.453 0.405 0.913 0.565 CB 1.142 24 residues pruned to eliminate duplicates Z: 18 9.701 1.747 0.365 0.399 0.882 0.412 CA 1.243 18 residues pruned to eliminate duplicates Z: 20 11.406 1.726 0.656 0.399 0.842 0.316 CB 1.210 20 residues pruned to eliminate duplicates Z: 17 8.608 1.724 0.551 0.392 0.875 0.375 CA 1.031 17 residues pruned to eliminate duplicates Z: 23 9.440 1.720 0.456 0.400 0.773 0.500 CB 1.155 23 residues pruned to eliminate duplicates Z: 18 11.025 1.634 0.624 0.431 0.882 0.529 CB 1.227 18 residues pruned to eliminate duplicates Z: 26 14.268 1.767 0.507 0.419 0.960 0.480 CB 1.215 26 residues pruned to eliminate duplicates Z: 16 9.355 1.818 0.535 0.323 0.867 0.333 CA 1.214 16 residues pruned to eliminate duplicates Z: 16 8.568 1.812 0.544 0.325 0.800 0.267 CB 1.198 16 residues pruned to eliminate duplicates Z: 18 10.177 1.681 0.472 0.498 0.882 0.353 CB 1.133 18 residues pruned to eliminate duplicates Z: 25 13.505 1.719 0.669 0.489 0.875 0.500 CB 1.111 29 residues pruned to eliminate duplicates Z: 6 6.552 1.720 0.668 0.417 1.000 0.600 CA 1.114 6 residues pruned to eliminate duplicates Z: 28 9.513 1.690 0.353 0.353 0.889 0.407 CB 1.056 28 residues pruned to eliminate duplicates Z: 15 11.023 1.812 0.669 0.365 0.929 0.571 CB 1.213 15 residues pruned to eliminate duplicates Z: 18 8.011 1.600 0.575 0.301 0.824 0.412 CB 1.169 18 residues pruned to eliminate duplicates Z: 17 9.117 1.751 0.489 0.367 0.875 0.375 CA 1.153 17 residues pruned to eliminate duplicates Z: 12 9.166 1.617 0.419 0.726 1.000 0.636 CB 0.982 11 residues pruned to eliminate duplicates Z: 11 13.161 1.556 0.685 0.851 1.000 0.900 CB 1.175 12 residues pruned to eliminate duplicates Z: 11 10.217 1.565 0.632 0.802 0.900 0.700 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 11.638 1.612 0.437 0.847 1.000 0.889 CB 1.243 10 residues pruned to eliminate duplicates Z: 10 8.695 1.633 0.510 0.764 0.889 0.444 CB 1.046 10 residues pruned to eliminate duplicates Z: 11 7.651 1.545 0.255 0.711 0.800 0.500 CB 1.288 11 residues pruned to eliminate duplicates Z: 10 3.990 1.555 0.155 0.696 0.667 0.222 CB 0.929 10 residues pruned to eliminate duplicates Z: 11 7.171 1.612 0.218 0.747 0.800 0.500 CB 1.158 11 residues pruned to eliminate duplicates Z: 11 6.990 1.585 0.426 0.725 0.700 0.500 CB 1.141 11 residues pruned to eliminate duplicates Z: 10 2.777 1.534 0.338 0.657 0.556 0.222 CB 0.702 10 residues pruned to eliminate duplicates Z: 12 5.325 1.464 0.524 0.533 0.818 0.455 CB 0.851 9 residues pruned to eliminate duplicates Z: 17 10.492 1.617 0.400 0.776 0.875 0.375 CB 1.038 15 residues pruned to eliminate duplicates Z: 6 4.746 1.524 0.357 0.695 0.800 0.400 N 1.074 6 residues pruned to eliminate duplicates Z: 10 5.227 1.491 0.611 0.491 0.889 0.667 CB 0.824 10 residues pruned to eliminate duplicates Z: 9 3.741 1.460 0.684 0.472 0.625 0.500 CB 0.886 9 residues pruned to eliminate duplicates Z: 9 6.018 1.565 0.589 0.628 0.750 0.625 CB 1.011 11 residues pruned to eliminate duplicates Z: 8 7.260 1.434 0.514 0.842 1.000 0.857 N 0.942 8 residues pruned to eliminate duplicates Z: 18 10.158 1.565 0.759 0.447 0.824 0.529 CB 1.148 9 residues pruned to eliminate duplicates Z: 6 2.408 1.144 0.731 0.436 0.800 0.600 N 0.726 Z: 9 5.577 1.570 -0.049 0.731 1.000 0.750 CB 1.073 11 residues pruned to eliminate duplicates Z: 12 11.165 1.625 0.544 0.801 0.909 0.455 N 1.135 8 residues pruned to eliminate duplicates Z: 6 8.375 1.649 0.440 0.777 1.000 0.800 N 1.235 6 residues pruned to eliminate duplicates Z: 20 13.331 1.732 0.582 0.461 0.842 0.263 N 1.380 43 residues pruned to eliminate duplicates Z: 15 11.733 1.468 0.700 0.753 1.000 0.571 CB 1.003 19 residues pruned to eliminate duplicates Z: 13 10.361 1.537 0.819 0.751 0.917 0.583 CA 0.933 13 residues pruned to eliminate duplicates Z: 13 8.784 1.536 0.576 0.680 1.000 0.417 CB 0.888 13 residues pruned to eliminate duplicates Z: 17 9.542 1.464 0.720 0.641 0.938 0.562 CB 0.886 17 residues pruned to eliminate duplicates Z: 14 11.375 1.641 0.611 0.742 0.923 0.846 CB 1.040 14 residues pruned to eliminate duplicates Z: 12 4.218 1.569 0.518 0.287 0.727 0.364 CB 0.933 Z: 14 15.409 1.598 0.865 0.813 1.000 0.692 CA 1.092 14 residues pruned to eliminate duplicates Z: 17 10.263 1.663 0.499 0.546 0.812 0.312 CB 1.211 36 residues pruned to eliminate duplicates Z: 12 10.198 1.517 0.708 0.651 0.909 0.455 CB 1.134 12 residues pruned to eliminate duplicates Z: 19 10.616 1.691 0.515 0.472 0.778 0.333 CB 1.291 19 residues pruned to eliminate duplicates Z: 9 6.587 1.602 0.376 0.782 0.750 0.250 N 1.099 11 residues pruned to eliminate duplicates Z: 13 10.183 1.646 0.472 0.780 0.833 0.333 CA 1.137 13 residues pruned to eliminate duplicates Z: 13 8.085 1.510 0.448 0.696 0.833 0.250 CB 1.071 13 residues pruned to eliminate duplicates Z: 7 10.618 1.791 0.407 0.810 1.000 0.333 CA 1.313 7 residues pruned to eliminate duplicates Z: 14 6.963 1.606 0.353 0.480 0.846 0.308 CB 1.072 14 residues pruned to eliminate duplicates Z: 14 8.095 1.439 0.669 0.702 0.846 0.462 CB 0.919 14 residues pruned to eliminate duplicates Z: 13 6.506 1.600 0.257 0.559 0.833 0.333 CB 1.058 11 residues pruned to eliminate duplicates Z: 6 3.451 1.515 0.518 0.353 1.000 0.400 CA 0.787 6 residues pruned to eliminate duplicates Z: 12 14.162 1.924 0.378 0.700 0.909 0.818 CB 1.476 12 residues pruned to eliminate duplicates Z: 37 19.330 1.773 0.497 0.600 0.917 0.639 CB 1.203 41 residues pruned to eliminate duplicates Z: 11 10.449 1.730 0.479 0.848 0.900 0.800 CB 1.064 11 residues pruned to eliminate duplicates Z: 10 8.663 1.638 0.846 0.866 0.889 0.889 CB 0.787 10 residues pruned to eliminate duplicates Z: 11 14.122 1.721 0.878 0.858 0.900 0.800 CB 1.130 11 residues pruned to eliminate duplicates Z: 13 13.607 1.621 0.927 0.770 1.000 0.583 N 0.990 13 residues pruned to eliminate duplicates Z: 12 14.004 1.686 0.877 0.791 0.909 0.727 CB 1.137 11 residues pruned to eliminate duplicates Z: 13 14.379 1.642 0.864 0.754 1.000 0.583 CB 1.082 13 residues pruned to eliminate duplicates Z: 14 11.346 1.607 0.737 0.671 0.923 0.769 CA 1.044 14 residues pruned to eliminate duplicates Z: 19 11.128 1.647 0.663 0.627 0.778 0.611 CB 1.093 11 residues pruned to eliminate duplicates Z: 11 12.879 1.696 0.591 0.898 1.000 0.900 CA 1.079 11 residues pruned to eliminate duplicates Z: 21 13.174 1.695 0.830 0.664 0.850 0.550 CB 0.960 21 residues pruned to eliminate duplicates Z: 21 14.384 1.725 0.649 0.707 0.900 0.750 CB 1.041 21 residues pruned to eliminate duplicates Z: 9 10.804 1.763 0.508 0.777 0.875 0.750 CB 1.286 9 residues pruned to eliminate duplicates Z: 9 11.608 1.686 0.474 0.831 1.000 0.750 CB 1.240 8 residues pruned to eliminate duplicates Z: 7 6.638 1.684 0.543 0.813 0.667 0.667 CA 1.192 7 residues pruned to eliminate duplicates Z: 22 12.843 1.714 0.464 0.529 1.000 0.524 CB 1.085 30 residues pruned to eliminate duplicates Z: 6 4.147 1.848 -0.036 0.429 0.800 0.600 CB 1.401 6 residues pruned to eliminate duplicates Z: 31 17.711 1.694 0.647 0.553 0.900 0.500 N 1.223 31 residues pruned to eliminate duplicates Z: 23 14.848 1.714 0.567 0.492 1.000 0.500 N 1.188 23 residues pruned to eliminate duplicates Z: 19 14.219 1.817 0.675 0.497 0.889 0.611 CB 1.242 19 residues pruned to eliminate duplicates Z: 20 15.004 1.795 0.632 0.474 0.947 0.579 CB 1.273 20 residues pruned to eliminate duplicates Z: 21 16.166 1.735 0.682 0.537 1.000 0.650 CB 1.194 21 residues pruned to eliminate duplicates Z: 20 14.709 1.804 0.512 0.578 0.947 0.579 CB 1.212 20 residues pruned to eliminate duplicates Z: 23 13.037 1.721 0.648 0.417 0.864 0.409 CB 1.238 23 residues pruned to eliminate duplicates Z: 26 10.624 1.615 0.624 0.434 0.840 0.440 CB 1.033 26 residues pruned to eliminate duplicates Z: 19 15.397 1.782 0.682 0.551 0.944 0.667 CB 1.220 19 residues pruned to eliminate duplicates Z: 24 11.297 1.704 0.466 0.520 0.826 0.435 CB 1.119 24 residues pruned to eliminate duplicates Z: 13 7.460 1.611 0.577 0.608 0.750 0.583 CB 1.020 13 residues pruned to eliminate duplicates Z: 19 8.178 1.693 0.461 0.276 0.889 0.500 CB 1.130 19 residues pruned to eliminate duplicates Z: 24 13.539 1.771 0.509 0.496 0.870 0.522 CB 1.221 24 residues pruned to eliminate duplicates Z: 29 13.462 1.721 0.373 0.520 0.893 0.607 CB 1.183 29 residues pruned to eliminate duplicates Z: 28 14.473 1.731 0.535 0.524 0.852 0.556 CB 1.202 28 residues pruned to eliminate duplicates Z: 7 4.108 1.684 0.202 0.593 0.667 0.167 N 1.137 7 residues pruned to eliminate duplicates Z: 13 5.488 1.713 0.149 0.404 0.750 0.083 N 1.187 13 residues pruned to eliminate duplicates Z: 7 3.936 1.645 0.114 0.499 0.667 0.333 CB 1.315 7 residues pruned to eliminate duplicates Z: 22 10.398 1.721 0.424 0.534 0.905 0.571 CB 0.990 22 residues pruned to eliminate duplicates Z: 35 17.727 1.766 0.554 0.510 0.941 0.618 CB 1.166 35 residues pruned to eliminate duplicates Z: 17 11.995 1.657 0.826 0.501 0.875 0.562 CB 1.132 17 residues pruned to eliminate duplicates Z: 20 13.061 1.735 0.535 0.566 0.895 0.579 CB 1.179 20 residues pruned to eliminate duplicates Z: 26 12.658 1.673 0.456 0.487 0.920 0.520 CB 1.145 26 residues pruned to eliminate duplicates Z: 21 9.255 1.693 0.308 0.434 0.900 0.400 CB 1.111 21 residues pruned to eliminate duplicates Z: 18 14.465 1.743 0.606 0.577 0.941 0.588 CA 1.237 18 residues pruned to eliminate duplicates Z: 26 13.416 1.730 0.446 0.531 0.880 0.680 CB 1.182 26 residues pruned to eliminate duplicates Z: 39 14.004 1.709 0.394 0.499 0.895 0.421 CB 1.068 39 residues pruned to eliminate duplicates Z: 17 15.884 1.801 0.520 0.664 1.000 0.750 CB 1.246 17 residues pruned to eliminate duplicates Z: 21 11.853 1.674 0.578 0.536 0.850 0.600 CB 1.140 21 residues pruned to eliminate duplicates Z: 15 10.245 1.663 0.769 0.486 0.929 0.643 CB 1.017 15 residues pruned to eliminate duplicates Z: 20 14.415 1.736 0.613 0.641 0.895 0.789 CB 1.157 20 residues pruned to eliminate duplicates Z: 18 10.093 1.631 0.386 0.550 0.941 0.765 CB 1.096 18 residues pruned to eliminate duplicates Z: 22 16.757 1.725 0.535 0.634 1.000 0.905 CB 1.217 22 residues pruned to eliminate duplicates Z: 24 12.415 1.726 0.284 0.587 0.870 0.652 CB 1.235 24 residues pruned to eliminate duplicates Z: 41 13.872 1.674 0.444 0.367 0.925 0.575 CB 1.131 41 residues pruned to eliminate duplicates Z: 31 13.955 1.707 0.427 0.518 0.833 0.500 CB 1.233 31 residues pruned to eliminate duplicates Z: 7 5.185 1.713 1.002 0.302 0.833 0.667 CA 0.923 7 residues pruned to eliminate duplicates Z: 7 6.540 1.337 1.462 0.506 1.000 0.500 N 0.806 7 residues pruned to eliminate duplicates Z: 20 6.536 1.582 0.463 0.357 0.895 0.526 CA 0.845 19 residues pruned to eliminate duplicates 6 1.520 1.373 0.528 0.351 0.800 0.400 CA 0.476 ? Z: 7 5.663 1.379 0.513 0.602 1.000 0.833 N 1.006 7 residues pruned to eliminate duplicates Z: 32 17.378 1.658 0.626 0.544 0.903 0.613 CB 1.228 32 residues pruned to eliminate duplicates Z: 25 18.585 1.707 0.633 0.621 0.958 0.750 CB 1.267 25 residues pruned to eliminate duplicates Z: 18 12.252 1.695 0.536 0.520 0.941 0.765 CA 1.189 18 residues pruned to eliminate duplicates Z: 26 14.180 1.700 0.570 0.492 0.960 0.720 CA 1.116 26 residues pruned to eliminate duplicates Z: 7 4.544 1.385 0.844 0.384 1.000 0.833 CA 0.822 7 residues pruned to eliminate duplicates Z: 26 14.820 1.709 0.579 0.487 0.920 0.680 CA 1.210 26 residues pruned to eliminate duplicates Z: 15 14.331 1.784 0.590 0.563 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 18 9.340 1.768 0.241 0.451 0.882 0.647 CB 1.231 18 residues pruned to eliminate duplicates Z: 18 12.837 1.730 0.541 0.500 1.000 0.647 CA 1.168 18 residues pruned to eliminate duplicates Z: 50 21.911 1.651 0.562 0.512 0.959 0.653 CA 1.251 44 residues pruned to eliminate duplicates Z: 15 11.083 1.519 0.605 0.757 0.857 0.714 N 1.127 Z: 15 13.306 1.520 0.652 0.809 0.929 0.500 CB 1.166 15 residues pruned to eliminate duplicates Z: 14 13.205 1.562 0.718 0.845 0.923 0.462 CB 1.099 15 residues pruned to eliminate duplicates Z: 14 12.028 1.537 0.653 0.782 1.000 0.538 CB 1.024 14 residues pruned to eliminate duplicates Z: 10 12.616 1.592 0.905 0.765 1.000 0.778 CB 1.097 10 residues pruned to eliminate duplicates Z: 23 12.172 1.606 0.607 0.457 0.864 0.636 CB 1.217 37 residues pruned to eliminate duplicates Z: 18 10.363 1.587 0.419 0.738 0.941 0.765 CB 0.958 18 residues pruned to eliminate duplicates Z: 29 14.921 1.724 0.284 0.602 0.964 0.750 CB 1.199 29 residues pruned to eliminate duplicates Z: 12 7.280 1.558 0.474 0.558 1.000 0.636 CA 0.903 12 residues pruned to eliminate duplicates Z: 30 14.629 1.726 0.382 0.583 0.862 0.759 CA 1.221 30 residues pruned to eliminate duplicates Z: 20 12.681 1.706 0.517 0.576 0.947 0.579 CB 1.103 20 residues pruned to eliminate duplicates Z: 42 20.131 1.653 0.456 0.647 0.951 0.634 CA 1.197 47 residues pruned to eliminate duplicates Z: 16 11.024 1.674 0.092 0.797 0.933 0.733 CB 1.286 16 residues pruned to eliminate duplicates Z: 31 17.952 1.709 0.524 0.600 0.967 0.700 CB 1.183 31 residues pruned to eliminate duplicates Z: 35 17.740 1.706 0.409 0.619 0.971 0.559 CB 1.165 35 residues pruned to eliminate duplicates Z: 32 19.984 1.676 0.582 0.613 0.968 0.645 CA 1.256 32 residues pruned to eliminate duplicates Z: 27 15.409 1.710 0.529 0.550 0.962 0.615 CA 1.144 27 residues pruned to eliminate duplicates Z: 12 8.613 1.673 0.331 0.536 0.909 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 31 14.996 1.686 0.579 0.615 0.833 0.533 CB 1.107 31 residues pruned to eliminate duplicates Z: 28 17.527 1.714 0.463 0.616 1.000 0.704 CB 1.205 28 residues pruned to eliminate duplicates Z: 48 23.714 1.730 0.552 0.583 0.979 0.766 CB 1.216 80 residues pruned to eliminate duplicates Z: 10 9.595 1.663 0.257 0.815 1.000 0.667 N 1.163 10 residues pruned to eliminate duplicates Z: 31 20.721 1.744 0.478 0.680 0.967 0.800 CA 1.287 31 residues pruned to eliminate duplicates Z: 18 16.979 1.780 0.548 0.633 0.941 0.882 CB 1.403 18 residues pruned to eliminate duplicates Z: 20 12.734 1.662 0.529 0.575 0.947 0.737 CB 1.129 20 residues pruned to eliminate duplicates Z: 28 15.785 1.695 0.395 0.623 0.926 0.741 CB 1.236 28 residues pruned to eliminate duplicates Z: 21 10.720 1.693 0.329 0.509 0.900 0.700 CB 1.173 21 residues pruned to eliminate duplicates Z: 36 19.300 1.672 0.610 0.605 0.971 0.714 CB 1.129 36 residues pruned to eliminate duplicates Z: 23 13.789 1.721 0.506 0.542 0.909 0.682 CB 1.197 23 residues pruned to eliminate duplicates Z: 19 14.608 1.713 0.706 0.478 0.889 0.444 CB 1.356 19 residues pruned to eliminate duplicates Z: 31 14.604 1.621 0.536 0.576 0.933 0.600 CA 1.066 31 residues pruned to eliminate duplicates Z: 15 9.839 1.721 0.628 0.596 0.786 0.786 CB 1.089 15 residues pruned to eliminate duplicates Z: 15 12.263 1.736 0.792 0.566 0.786 0.643 CB 1.257 15 residues pruned to eliminate duplicates Z: 21 13.088 1.718 0.581 0.465 0.950 0.650 CB 1.175 21 residues pruned to eliminate duplicates Z: 17 11.446 1.786 0.664 0.484 0.812 0.625 CB 1.205 17 residues pruned to eliminate duplicates Z: 26 16.218 1.788 0.413 0.727 0.880 0.720 CB 1.189 26 residues pruned to eliminate duplicates Z: 11 16.814 1.842 0.874 0.764 1.000 0.900 CA 1.218 11 residues pruned to eliminate duplicates Z: 25 15.519 1.804 0.498 0.659 0.875 0.750 CB 1.156 23 residues pruned to eliminate duplicates Z: 12 7.859 1.778 0.047 0.823 0.909 0.909 CB 1.058 12 residues pruned to eliminate duplicates Z: 14 10.083 1.784 0.248 0.735 0.923 0.846 CA 1.102 13 residues pruned to eliminate duplicates Z: 7 6.752 1.929 -0.105 0.902 1.000 1.000 CA 1.138 7 residues pruned to eliminate duplicates Z: 13 7.962 1.784 -0.189 0.756 1.000 0.833 CA 1.265 13 residues pruned to eliminate duplicates Z: 36 16.072 1.725 0.573 0.575 0.829 0.629 CB 1.124 27 residues pruned to eliminate duplicates Z: 11 13.390 1.841 0.345 0.922 1.000 0.900 CA 1.202 11 residues pruned to eliminate duplicates Z: 15 8.791 1.813 0.059 0.588 0.857 0.714 CB 1.313 15 residues pruned to eliminate duplicates Z: 13 10.232 1.842 0.076 0.784 0.917 0.833 CA 1.266 13 residues pruned to eliminate duplicates Z: 25 15.289 1.815 0.314 0.670 0.917 0.708 CB 1.220 25 residues pruned to eliminate duplicates Z: 13 8.062 1.832 0.005 0.766 0.833 0.750 CA 1.198 13 residues pruned to eliminate duplicates Z: 16 7.910 1.716 0.230 0.599 0.733 0.533 CB 1.201 16 residues pruned to eliminate duplicates Z: 17 6.619 1.518 1.042 0.292 0.812 0.500 CB 0.830 14 residues pruned to eliminate duplicates Z: 11 5.139 1.555 1.052 0.549 0.900 0.500 CB 0.540 11 residues pruned to eliminate duplicates Z: 7 7.395 1.577 1.211 0.647 0.833 0.333 CB 0.906 16 residues pruned to eliminate duplicates Z: 7 10.630 1.598 0.885 0.857 1.000 0.833 CB 1.062 4 residues pruned to eliminate duplicates Z: 10 8.940 1.609 0.733 0.700 0.889 0.444 CB 1.002 10 residues pruned to eliminate duplicates Z: 9 12.499 1.649 1.120 0.767 0.875 0.500 CB 1.140 8 residues pruned to eliminate duplicates Z: 9 4.284 1.342 0.496 0.740 1.000 0.500 CB 0.609 9 residues pruned to eliminate duplicates Z: 14 7.046 1.554 0.692 0.348 0.769 0.385 CB 1.140 7 residues pruned to eliminate duplicates Z: 7 3.923 1.556 0.607 0.522 0.833 0.333 CB 0.752 7 residues pruned to eliminate duplicates Z: 16 6.197 1.736 0.480 0.381 0.867 0.333 CB 0.816 12 residues pruned to eliminate duplicates Z: 6 3.114 1.362 0.472 0.383 1.000 0.400 CB 0.787 6 residues pruned to eliminate duplicates Z: 15 10.187 1.771 0.570 0.562 1.000 0.714 CB 0.921 15 residues pruned to eliminate duplicates Z: 22 10.810 1.835 0.465 0.447 0.952 0.667 CB 0.972 22 residues pruned to eliminate duplicates Z: 38 16.609 1.774 0.448 0.468 0.919 0.622 CB 1.195 101 residues pruned to eliminate duplicates Z: 6 5.896 1.461 1.162 0.499 0.800 0.800 N 1.045 6 residues pruned to eliminate duplicates Z: 17 10.001 1.867 0.567 0.464 0.875 0.625 CB 1.013 17 residues pruned to eliminate duplicates Z: 34 20.965 1.805 0.600 0.591 0.879 0.697 CB 1.318 34 residues pruned to eliminate duplicates Z: 27 11.055 1.801 0.306 0.500 0.885 0.692 CB 1.042 27 residues pruned to eliminate duplicates Z: 46 21.899 1.839 0.504 0.529 0.933 0.689 CB 1.229 46 residues pruned to eliminate duplicates Z: 15 11.738 1.724 0.190 0.912 1.000 0.929 CA 1.083 15 residues pruned to eliminate duplicates Z: 36 23.454 1.841 0.374 0.660 1.000 0.857 CB 1.351 36 residues pruned to eliminate duplicates Z: 41 19.679 1.768 0.477 0.616 0.925 0.775 CB 1.155 41 residues pruned to eliminate duplicates Z: 9 17.325 1.809 0.874 0.847 1.000 0.875 CB 1.341 9 residues pruned to eliminate duplicates Z: 37 21.914 1.703 0.565 0.678 0.944 0.917 CA 1.232 38 residues pruned to eliminate duplicates Z: 13 15.979 1.822 0.411 0.912 1.000 0.833 CA 1.270 13 residues pruned to eliminate duplicates Z: 48 21.951 1.802 0.502 0.540 0.936 0.702 CB 1.216 48 residues pruned to eliminate duplicates Z: 16 18.298 1.818 0.700 0.791 1.000 1.000 CB 1.184 16 residues pruned to eliminate duplicates Z: 28 18.633 1.683 0.580 0.605 0.889 0.667 CA 1.373 28 residues pruned to eliminate duplicates Z: 42 22.972 1.815 0.507 0.601 0.951 0.829 CA 1.252 40 residues pruned to eliminate duplicates Z: 13 20.436 1.841 0.926 0.925 1.000 0.667 CB 1.167 13 residues pruned to eliminate duplicates Z: 21 21.795 1.825 0.638 0.765 1.000 0.750 CA 1.290 21 residues pruned to eliminate duplicates Z: 21 26.477 1.822 0.901 0.754 1.000 0.750 CB 1.363 21 residues pruned to eliminate duplicates Z: 26 19.198 1.718 0.643 0.650 0.920 0.680 CA 1.286 26 residues pruned to eliminate duplicates Z: 52 21.840 1.749 0.577 0.518 0.902 0.647 CB 1.209 52 residues pruned to eliminate duplicates Z: 34 20.054 1.714 0.665 0.609 0.909 0.515 CB 1.213 34 residues pruned to eliminate duplicates Z: 21 19.985 1.768 0.776 0.709 0.950 0.650 CA 1.239 21 residues pruned to eliminate duplicates Z: 19 19.156 1.794 0.898 0.752 1.000 0.833 CA 1.060 19 residues pruned to eliminate duplicates Z: 21 13.153 1.691 0.588 0.629 1.000 0.600 CA 0.970 21 residues pruned to eliminate duplicates Z: 24 18.882 1.727 0.783 0.747 0.913 0.609 CB 1.123 24 residues pruned to eliminate duplicates Z: 31 21.516 1.746 0.693 0.692 0.933 0.733 CB 1.194 40 residues pruned to eliminate duplicates Z: 11 7.695 1.654 0.716 0.594 0.800 0.600 CB 0.980 11 residues pruned to eliminate duplicates Z: 27 19.976 1.753 0.698 0.600 0.962 0.538 CA 1.244 27 residues pruned to eliminate duplicates Z: 43 26.490 1.828 0.554 0.645 0.976 0.762 CA 1.287 43 residues pruned to eliminate duplicates Z: 25 15.764 1.702 0.806 0.435 0.875 0.458 CA 1.279 25 residues pruned to eliminate duplicates Z: 13 8.027 1.683 0.408 0.542 0.750 0.500 CA 1.251 14 residues pruned to eliminate duplicates Z: 16 9.558 1.652 0.478 0.755 0.933 0.600 CA 0.863 16 residues pruned to eliminate duplicates Z: 7 6.901 1.866 0.272 0.508 0.833 0.667 CB 1.413 8 residues pruned to eliminate duplicates Z: 13 9.975 1.732 0.510 0.676 1.000 0.583 CA 0.937 13 residues pruned to eliminate duplicates Z: 11 3.579 1.643 0.263 0.389 0.600 0.300 CA 1.023 11 residues pruned to eliminate duplicates Z: 11 5.631 1.590 0.328 0.301 0.900 0.500 CB 1.169 6 residues pruned to eliminate duplicates Z: 6 5.206 1.546 0.596 0.354 1.000 0.200 CA 1.105 6 residues pruned to eliminate duplicates Z: 17 14.070 1.703 0.594 0.532 0.938 0.688 CA 1.339 17 residues pruned to eliminate duplicates Z: 20 13.176 1.683 0.740 0.549 0.842 0.579 CB 1.168 23 residues pruned to eliminate duplicates Z: 16 9.527 1.655 0.364 0.764 0.867 0.667 CB 0.994 16 residues pruned to eliminate duplicates Z: 13 12.901 1.789 0.822 0.573 0.833 0.667 CA 1.278 12 residues pruned to eliminate duplicates Z: 13 14.824 1.662 0.743 0.922 0.917 0.750 CB 1.133 13 residues pruned to eliminate duplicates Z: 39 22.199 1.727 0.595 0.653 0.974 0.763 CB 1.164 37 residues pruned to eliminate duplicates Z: 14 12.645 1.615 0.656 0.864 0.923 0.615 CB 1.042 14 residues pruned to eliminate duplicates Z: 26 16.484 1.717 0.711 0.599 0.920 0.760 CB 1.110 26 residues pruned to eliminate duplicates Z: 8 13.295 1.748 0.704 0.842 1.000 0.571 N 1.257 8 residues pruned to eliminate duplicates Z: 21 17.444 1.764 0.564 0.742 0.950 0.700 CB 1.199 21 residues pruned to eliminate duplicates Z: 43 19.397 1.733 0.469 0.566 0.905 0.548 CB 1.219 43 residues pruned to eliminate duplicates Z: 8 16.264 1.723 1.059 0.869 1.000 0.286 CB 1.267 8 residues pruned to eliminate duplicates Z: 25 19.742 1.756 0.660 0.707 1.000 0.542 CB 1.145 25 residues pruned to eliminate duplicates Z: 9 9.345 1.899 0.281 0.631 1.000 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 12 10.898 1.764 0.688 0.593 1.000 0.818 CB 1.009 23 residues pruned to eliminate duplicates Z: 24 16.362 1.718 0.653 0.645 0.913 0.478 CB 1.149 24 residues pruned to eliminate duplicates Z: 36 20.800 1.760 0.498 0.654 0.971 0.743 CB 1.189 33 residues pruned to eliminate duplicates Z: 17 14.323 1.805 0.537 0.798 0.875 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 19 13.718 1.771 0.593 0.729 0.889 0.611 CB 1.049 19 residues pruned to eliminate duplicates Z: 21 15.811 1.761 0.570 0.742 0.900 0.550 CB 1.144 21 residues pruned to eliminate duplicates Z: 23 16.268 1.731 0.630 0.685 0.955 0.636 CB 1.086 23 residues pruned to eliminate duplicates Z: 22 16.392 1.737 0.530 0.720 1.000 0.714 CB 1.104 22 residues pruned to eliminate duplicates Z: 25 10.510 1.681 0.339 0.424 0.833 0.583 CB 1.238 25 residues pruned to eliminate duplicates Z: 16 9.152 1.769 0.313 0.555 0.800 0.667 CA 1.206 16 residues pruned to eliminate duplicates Z: 23 17.385 1.776 0.502 0.726 0.955 0.727 CB 1.187 23 residues pruned to eliminate duplicates Z: 11 4.657 1.640 0.240 0.362 0.800 0.400 CB 1.050 11 residues pruned to eliminate duplicates Z: 11 3.648 1.631 0.167 0.388 0.700 0.600 CB 0.975 11 residues pruned to eliminate duplicates Z: 32 16.641 1.728 0.560 0.540 0.871 0.613 CA 1.224 33 residues pruned to eliminate duplicates Z: 6 2.659 1.442 0.454 0.327 0.800 0.800 CA 0.857 6 residues pruned to eliminate duplicates Z: 22 12.163 1.740 0.433 0.510 0.952 0.571 CA 1.106 22 residues pruned to eliminate duplicates Z: 67 28.209 1.757 0.531 0.608 0.939 0.697 CA 1.241 67 residues pruned to eliminate duplicates Z: 6 2.099 1.404 0.314 0.204 1.000 0.800 N 0.723 6 residues pruned to eliminate duplicates Z: 32 19.831 1.771 0.584 0.590 0.968 0.677 CA 1.203 32 residues pruned to eliminate duplicates Z: 30 19.500 1.775 0.651 0.591 0.931 0.759 CA 1.217 30 residues pruned to eliminate duplicates Z: 6 7.165 1.912 0.499 0.364 1.000 0.200 CA 1.295 6 residues pruned to eliminate duplicates Z: 18 10.339 1.755 0.389 0.496 1.000 0.706 CA 1.033 18 residues pruned to eliminate duplicates Z: 20 11.993 1.781 0.469 0.492 1.000 0.632 CA 1.060 20 residues pruned to eliminate duplicates Z: 64 29.177 1.774 0.498 0.641 0.952 0.667 CA 1.273 64 residues pruned to eliminate duplicates Z: 65 26.202 1.761 0.545 0.587 0.891 0.594 CA 1.244 65 residues pruned to eliminate duplicates Z: 30 14.003 1.755 0.503 0.500 0.828 0.621 CA 1.191 30 residues pruned to eliminate duplicates Z: 20 10.122 1.780 0.317 0.458 0.947 0.579 CA 1.092 20 residues pruned to eliminate duplicates Z: 29 20.292 1.782 0.725 0.602 0.964 0.679 CA 1.174 30 residues pruned to eliminate duplicates Z: 6 2.889 1.568 0.536 0.372 1.000 0.400 CA 0.615 6 residues pruned to eliminate duplicates Z: 16 10.680 1.606 0.644 0.525 0.933 0.600 CB 1.091 16 residues pruned to eliminate duplicates Z: 10 13.488 1.888 0.781 0.769 0.889 0.778 CB 1.186 10 residues pruned to eliminate duplicates Z: 11 14.185 1.879 0.820 0.707 0.900 0.800 CA 1.207 10 residues pruned to eliminate duplicates Z: 10 7.036 1.420 0.889 0.831 1.000 0.333 CB 0.657 9 residues pruned to eliminate duplicates Z: 15 10.939 1.384 0.724 0.768 0.929 0.286 CB 1.040 14 residues pruned to eliminate duplicates Z: 10 12.055 1.561 0.839 0.867 1.000 0.556 CB 1.024 10 residues pruned to eliminate duplicates Z: 11 8.618 1.473 0.936 0.483 0.900 0.400 N 1.081 11 residues pruned to eliminate duplicates Z: 14 6.299 1.453 0.483 0.541 0.846 0.462 CB 0.920 14 residues pruned to eliminate duplicates Z: 19 7.202 1.488 0.521 0.494 0.722 0.500 N 1.045 19 residues pruned to eliminate duplicates Z: 20 10.665 1.539 0.835 0.548 0.789 0.421 CB 1.047 22 residues pruned to eliminate duplicates Z: 16 10.642 1.472 0.587 0.687 0.867 0.400 N 1.143 16 residues pruned to eliminate duplicates Z: 11 7.316 1.497 0.706 0.635 0.800 0.700 N 0.997 11 residues pruned to eliminate duplicates Z: 7 8.426 1.575 0.515 0.882 1.000 1.000 CB 1.044 7 residues pruned to eliminate duplicates Z: 22 12.428 1.534 0.525 0.556 1.000 0.762 CB 1.099 25 residues pruned to eliminate duplicates Z: 8 6.624 1.530 0.559 0.898 1.000 0.857 CB 0.751 8 residues pruned to eliminate duplicates Z: 11 8.575 1.497 0.644 0.570 1.000 0.700 CB 1.030 11 residues pruned to eliminate duplicates Z: 15 12.411 1.527 0.825 0.744 1.000 0.857 CB 0.957 15 residues pruned to eliminate duplicates Z: 28 8.832 1.481 0.581 0.553 0.704 0.333 CB 0.980 28 residues pruned to eliminate duplicates Z: 7 3.453 1.360 0.143 0.655 1.000 0.333 N 0.785 7 residues pruned to eliminate duplicates Z: 13 4.787 1.448 0.276 0.527 0.833 0.250 CB 0.874 12 residues pruned to eliminate duplicates Z: 16 8.911 1.356 0.426 0.759 0.933 0.533 CB 1.013 17 residues pruned to eliminate duplicates Z: 8 5.688 1.582 0.294 0.754 0.857 0.429 CB 0.977 9 residues pruned to eliminate duplicates Z: 8 5.608 1.542 0.602 0.675 0.857 0.286 CB 0.852 6 residues pruned to eliminate duplicates Z: 7 4.594 1.574 -0.030 0.640 0.833 0.333 CB 1.293 7 residues pruned to eliminate duplicates Z: 17 9.175 1.739 0.464 0.373 0.875 0.500 N 1.180 17 residues pruned to eliminate duplicates Z: 7 6.827 1.655 0.590 0.483 1.000 0.833 CA 1.078 7 residues pruned to eliminate duplicates Z: 19 9.848 1.678 0.381 0.532 0.889 0.611 N 1.092 19 residues pruned to eliminate duplicates Z: 12 12.098 1.756 0.533 0.541 1.000 0.727 N 1.302 12 residues pruned to eliminate duplicates Z: 14 8.038 1.634 0.598 0.458 0.846 0.462 N 1.054 14 residues pruned to eliminate duplicates Z: 17 12.020 1.729 0.610 0.448 0.875 0.500 N 1.302 17 residues pruned to eliminate duplicates Z: 17 8.512 1.654 0.364 0.434 0.812 0.500 N 1.242 17 residues pruned to eliminate duplicates Z: 23 11.833 1.646 0.410 0.436 0.955 0.591 CB 1.217 21 residues pruned to eliminate duplicates Z: 8 4.514 1.292 0.695 0.556 1.000 0.571 N 0.738 8 residues pruned to eliminate duplicates Z: 23 11.278 1.667 0.452 0.452 0.909 0.455 N 1.148 23 residues pruned to eliminate duplicates Z: 13 8.367 1.591 0.574 0.406 1.000 0.750 CA 1.065 13 residues pruned to eliminate duplicates Z: 8 4.247 1.512 0.549 0.205 0.857 0.571 CB 1.134 8 residues pruned to eliminate duplicates 6 1.827 1.587 0.580 0.296 0.800 0.400 CB 0.511 ? Z: 13 12.827 1.772 0.821 0.496 0.917 0.667 CB 1.257 8 residues pruned to eliminate duplicates Z: 6 2.376 1.304 0.454 0.401 1.000 0.600 N 0.622 6 residues pruned to eliminate duplicates Z: 22 13.306 1.686 0.585 0.592 0.905 0.714 CB 1.099 22 residues pruned to eliminate duplicates Z: 15 9.094 1.718 0.524 0.585 0.786 0.571 CB 1.090 15 residues pruned to eliminate duplicates Z: 12 15.533 1.833 0.836 0.531 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 20 13.236 1.704 0.605 0.709 0.947 0.789 CB 0.969 20 residues pruned to eliminate duplicates Z: 19 12.277 1.769 0.476 0.592 0.944 0.833 CB 1.075 19 residues pruned to eliminate duplicates Z: 21 13.130 1.751 0.418 0.648 0.900 0.750 CB 1.144 21 residues pruned to eliminate duplicates Z: 20 11.704 1.631 0.436 0.544 0.947 0.579 N 1.159 20 residues pruned to eliminate duplicates Z: 11 5.065 1.470 0.304 0.633 0.800 0.700 CB 0.922 11 residues pruned to eliminate duplicates Z: 19 12.858 1.770 0.675 0.570 0.889 0.667 CB 1.075 19 residues pruned to eliminate duplicates Z: 19 15.009 1.804 0.464 0.597 0.944 0.556 CB 1.293 19 residues pruned to eliminate duplicates Z: 11 6.899 1.567 0.538 0.816 0.800 0.300 CB 0.860 11 residues pruned to eliminate duplicates Z: 17 10.218 1.669 0.497 0.564 0.875 0.562 CB 1.098 17 residues pruned to eliminate duplicates Z: 27 16.812 1.764 0.431 0.623 0.962 0.769 CB 1.210 27 residues pruned to eliminate duplicates Z: 29 14.254 1.719 0.435 0.548 0.929 0.679 CB 1.122 29 residues pruned to eliminate duplicates Z: 17 10.112 1.642 0.295 0.762 1.000 0.750 CB 0.942 17 residues pruned to eliminate duplicates Z: 15 11.401 1.759 0.468 0.671 0.929 0.643 CB 1.085 15 residues pruned to eliminate duplicates Z: 14 12.934 1.719 0.508 0.777 1.000 0.923 CB 1.083 14 residues pruned to eliminate duplicates Z: 16 9.837 1.652 0.593 0.543 0.800 0.267 N 1.157 16 residues pruned to eliminate duplicates Z: 16 6.854 1.640 0.579 0.422 0.733 0.400 CB 1.011 16 residues pruned to eliminate duplicates Z: 13 5.969 1.734 0.198 0.407 0.750 0.417 CB 1.219 13 residues pruned to eliminate duplicates Z: 40 14.966 1.667 0.489 0.488 0.897 0.590 CB 1.089 44 residues pruned to eliminate duplicates Z: 11 8.601 1.737 0.406 0.725 0.800 0.500 CA 1.136 11 residues pruned to eliminate duplicates Z: 17 8.172 1.658 0.357 0.526 0.875 0.500 CB 1.011 17 residues pruned to eliminate duplicates Z: 24 11.277 1.637 0.646 0.549 0.783 0.478 CB 1.063 24 residues pruned to eliminate duplicates Z: 17 12.685 1.764 0.406 0.633 0.875 0.500 CB 1.289 17 residues pruned to eliminate duplicates Z: 33 16.344 1.726 0.523 0.596 0.875 0.531 CB 1.145 33 residues pruned to eliminate duplicates Z: 8 5.990 1.690 0.090 0.528 1.000 0.714 CA 1.195 8 residues pruned to eliminate duplicates Z: 19 10.235 1.837 0.566 0.478 0.889 0.500 CA 0.965 19 residues pruned to eliminate duplicates Z: 35 19.128 1.765 0.457 0.597 0.941 0.471 CB 1.236 35 residues pruned to eliminate duplicates Z: 27 17.582 1.836 0.475 0.566 0.962 0.615 CA 1.242 27 residues pruned to eliminate duplicates Z: 35 17.758 1.777 0.480 0.530 0.882 0.500 CA 1.274 35 residues pruned to eliminate duplicates Z: 32 15.892 1.735 0.415 0.432 0.935 0.548 CA 1.333 32 residues pruned to eliminate duplicates Z: 35 21.087 1.779 0.549 0.566 0.912 0.647 CA 1.350 35 residues pruned to eliminate duplicates Z: 23 10.526 1.767 0.510 0.450 0.818 0.455 CA 1.082 23 residues pruned to eliminate duplicates Z: 47 22.100 1.751 0.546 0.554 0.870 0.457 CB 1.313 47 residues pruned to eliminate duplicates Z: 29 14.340 1.762 0.479 0.438 0.929 0.464 CA 1.194 29 residues pruned to eliminate duplicates Z: 43 19.598 1.741 0.423 0.518 0.905 0.643 CA 1.324 43 residues pruned to eliminate duplicates Z: 20 13.266 1.749 0.399 0.461 0.947 0.526 CB 1.366 20 residues pruned to eliminate duplicates Z: 35 19.521 1.792 0.475 0.530 0.912 0.559 CA 1.349 35 residues pruned to eliminate duplicates Z: 27 10.233 1.693 0.262 0.356 0.885 0.538 CA 1.242 27 residues pruned to eliminate duplicates Z: 56 23.260 1.728 0.516 0.567 0.873 0.618 CB 1.286 56 residues pruned to eliminate duplicates Z: 24 13.862 1.826 0.341 0.472 1.000 0.565 CA 1.215 24 residues pruned to eliminate duplicates Z: 23 13.092 1.776 0.439 0.481 1.000 0.591 CA 1.114 23 residues pruned to eliminate duplicates Z: 35 15.352 1.705 0.555 0.452 0.882 0.559 CA 1.182 35 residues pruned to eliminate duplicates Z: 7 4.500 1.586 0.404 0.264 1.000 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 19 10.523 1.764 0.507 0.336 0.889 0.444 CA 1.256 19 residues pruned to eliminate duplicates Z: 34 18.374 1.773 0.446 0.494 0.909 0.636 CA 1.380 34 residues pruned to eliminate duplicates Z: 37 18.923 1.797 0.449 0.493 0.889 0.583 CA 1.373 37 residues pruned to eliminate duplicates Z: 39 19.537 1.769 0.537 0.486 0.868 0.605 CA 1.362 39 residues pruned to eliminate duplicates Z: 16 12.197 1.754 0.612 0.641 0.800 0.733 CB 1.221 16 residues pruned to eliminate duplicates Z: 37 18.831 1.799 0.528 0.521 0.889 0.583 CA 1.258 37 residues pruned to eliminate duplicates Z: 40 17.753 1.764 0.539 0.469 0.821 0.615 CA 1.318 40 residues pruned to eliminate duplicates Z: 13 11.901 1.769 0.578 0.667 0.917 0.667 CB 1.150 13 residues pruned to eliminate duplicates Z: 26 14.105 1.740 0.478 0.500 0.840 0.520 N 1.305 26 residues pruned to eliminate duplicates Z: 16 7.603 1.652 0.402 0.546 0.800 0.467 CB 1.013 16 residues pruned to eliminate duplicates Z: 17 11.538 1.687 0.460 0.557 0.938 0.625 CB 1.182 17 residues pruned to eliminate duplicates Z: 25 25.664 1.913 0.598 0.704 0.917 0.750 CB 1.553 25 residues pruned to eliminate duplicates Z: 27 22.456 1.832 0.586 0.677 0.885 0.731 CB 1.456 26 residues pruned to eliminate duplicates Z: 15 17.936 1.802 0.836 0.607 0.929 0.643 CA 1.410 17 residues pruned to eliminate duplicates Z: 13 19.738 1.931 0.544 0.804 1.000 0.833 CA 1.465 13 residues pruned to eliminate duplicates Z: 19 22.040 1.934 0.916 0.604 0.889 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 20 22.411 1.964 0.815 0.679 0.895 0.789 CB 1.368 20 residues pruned to eliminate duplicates Z: 21 21.032 1.940 0.666 0.691 0.900 0.800 CB 1.358 21 residues pruned to eliminate duplicates Z: 37 26.680 1.833 0.777 0.602 0.861 0.611 N 1.439 36 residues pruned to eliminate duplicates Z: 15 20.640 1.815 1.042 0.667 0.929 0.643 N 1.373 15 residues pruned to eliminate duplicates Z: 24 19.056 1.791 1.013 0.529 0.870 0.478 CB 1.232 24 residues pruned to eliminate duplicates Z: 20 20.398 1.961 0.884 0.626 0.895 0.632 CB 1.257 20 residues pruned to eliminate duplicates Z: 18 16.274 1.899 0.757 0.568 0.824 0.412 CB 1.345 18 residues pruned to eliminate duplicates Z: 23 28.280 1.927 0.808 0.743 0.955 0.864 CB 1.459 24 residues pruned to eliminate duplicates Z: 14 21.647 1.732 1.238 0.825 0.923 0.538 CB 1.266 14 residues pruned to eliminate duplicates Z: 21 19.930 1.910 0.453 0.661 0.950 0.700 CA 1.455 21 residues pruned to eliminate duplicates Z: 48 21.619 1.829 0.447 0.507 0.894 0.596 CA 1.324 48 residues pruned to eliminate duplicates Z: 14 6.295 1.527 0.213 0.496 0.923 0.538 CB 1.025 8 residues pruned to eliminate duplicates Z: 18 19.709 1.643 0.908 0.844 0.941 0.765 N 1.205 18 residues pruned to eliminate duplicates Z: 7 10.743 1.702 0.631 0.809 1.000 0.833 CB 1.207 9 residues pruned to eliminate duplicates Z: 16 7.468 1.396 0.630 0.660 0.867 0.533 N 0.843 14 residues pruned to eliminate duplicates Z: 10 9.242 1.638 0.660 0.685 0.889 0.556 CB 1.075 7 residues pruned to eliminate duplicates Z: 9 7.733 1.496 0.676 0.606 1.000 0.375 CB 0.986 9 residues pruned to eliminate duplicates Z: 11 8.645 1.554 0.776 0.658 0.900 0.400 CB 0.950 10 residues pruned to eliminate duplicates Z: 6 4.119 1.429 0.433 0.410 1.000 0.400 C 0.989 Z: 11 12.174 1.686 0.513 0.777 0.900 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 15 16.767 1.599 0.711 0.752 1.000 0.786 CB 1.308 15 residues pruned to eliminate duplicates Z: 14 16.161 1.798 0.659 0.740 1.000 0.769 CB 1.212 14 residues pruned to eliminate duplicates Z: 14 14.884 1.800 0.549 0.709 0.923 0.769 CB 1.326 14 residues pruned to eliminate duplicates Z: 14 13.619 1.768 0.493 0.673 1.000 0.462 CB 1.220 14 residues pruned to eliminate duplicates Z: 13 13.293 1.771 0.462 0.678 1.000 0.750 CA 1.258 13 residues pruned to eliminate duplicates Z: 14 13.913 1.733 0.595 0.705 1.000 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 14 15.551 1.780 0.544 0.710 1.000 0.692 CB 1.297 14 residues pruned to eliminate duplicates Z: 22 12.624 1.704 0.369 0.590 0.952 0.762 CB 1.138 22 residues pruned to eliminate duplicates Z: 15 15.187 1.739 0.593 0.683 0.929 0.786 CB 1.334 15 residues pruned to eliminate duplicates Z: 22 16.787 1.669 0.725 0.680 0.905 0.667 CB 1.192 25 residues pruned to eliminate duplicates Z: 14 16.534 1.705 0.902 0.846 0.923 0.846 CA 1.138 14 residues pruned to eliminate duplicates 666 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 11 D: 7 E: 8 F: 8 G: 11 H: 23 I: 13 J: 37 K: 52 L: 20 M: 35 N: 44 O: 96 P: 65 Q: 44 R: 44 S: 99 T: 10 U: 22 CC for partial structure against native data = 33.84 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.381, Connect. = 0.676 for dens.mod. cycle 1 = 0.303, Contrast = 0.443, Connect. = 0.698 for dens.mod. cycle 2 = 0.303, Contrast = 0.525, Connect. = 0.732 for dens.mod. cycle 3 = 0.303, Contrast = 0.531, Connect. = 0.734 for dens.mod. cycle 4 = 0.303, Contrast = 0.542, Connect. = 0.738 for dens.mod. cycle 5 = 0.303, Contrast = 0.545, Connect. = 0.741 for dens.mod. cycle 6 = 0.303, Contrast = 0.550, Connect. = 0.743 for dens.mod. cycle 7 = 0.303, Contrast = 0.553, Connect. = 0.745 for dens.mod. cycle 8 = 0.303, Contrast = 0.555, Connect. = 0.746 for dens.mod. cycle 9 = 0.303, Contrast = 0.556, Connect. = 0.747 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.28 - 4.17 - 3.63 - 3.29 - 3.05 - 2.86 - 2.72 - 2.60 - 2.49 - 2.41 0.713 0.765 0.710 0.705 0.627 0.637 0.635 0.608 0.624 0.594 0.848 0.898 0.848 0.844 0.765 0.778 0.789 0.766 0.790 0.765 N 3835 3829 3853 3850 3845 3982 3663 3823 4154 3474 Estimated mean FOM = 0.662 Pseudo-free CC = 68.46 % Best trace (cycle 1 with CC 39.96%) was saved as ./1vqy-2.4-parrot-mrncs/1vqy-2.4-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 7.7 - FFTs and peak-searches 23.3 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1065.3 - Tripeptide search 7885.4 - Chain tracing 0.0 - NCS analysis 53.2 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 23:28:43 Total time: 9036.36 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 151.95 Used memory is bytes: 21994600