null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:08:57 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: ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.ins Phases from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi Native data from ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.hkl Listing output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.lst Phases output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phs Poly-Ala trace output to ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 61 Allowed origin shift code: 8 70518 Reflections read from file ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.phi 70518 Reflections read from file ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.hkl 70518 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by 0.000017h^2 +0.000017k^2 -0.000050l^2 +0.000000kl +0.000000hl +0.000017hk 42 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 256 x 256 x 22 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.659 = 0.180, Contrast = 0.087, Connect. = 0.569 for dens.mod. cycle 1 = 0.191, Contrast = 0.237, Connect. = 0.595 for dens.mod. cycle 2 = 0.207, Contrast = 0.359, Connect. = 0.656 for dens.mod. cycle 3 = 0.229, Contrast = 0.450, Connect. = 0.691 for dens.mod. cycle 4 = 0.254, Contrast = 0.516, Connect. = 0.708 for dens.mod. cycle 5 = 0.274, Contrast = 0.563, Connect. = 0.716 for dens.mod. cycle 6 = 0.287, Contrast = 0.602, Connect. = 0.724 for dens.mod. cycle 7 = 0.298, Contrast = 0.634, Connect. = 0.732 for dens.mod. cycle 8 = 0.300, Contrast = 0.657, Connect. = 0.736 for dens.mod. cycle 9 = 0.300, Contrast = 0.683, Connect. = 0.744 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5801 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 1054 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 21.541 1.942 0.614 0.887 1.000 0.769 CA 1.374 B: 12 19.793 1.834 0.939 0.772 0.818 0.636 O 1.613 C: 10 9.858 1.923 0.076 0.860 0.889 0.778 CB 1.314 10 residues pruned to eliminate duplicates D: 14 21.935 1.898 0.865 0.896 1.000 0.923 CB 1.231 E: 10 24.039 2.003 1.096 0.909 1.000 0.778 CA 1.355 F: 9 19.187 2.025 0.661 0.912 1.000 1.000 CA 1.429 9 residues pruned to eliminate duplicates G: 10 26.882 1.993 1.098 0.906 1.000 0.889 CA 1.525 10 residues pruned to eliminate duplicates H: 11 10.829 1.726 0.574 0.853 1.000 0.600 CB 0.932 I: 14 23.388 1.958 0.957 0.882 0.923 0.692 CA 1.327 14 residues pruned to eliminate duplicates J: 13 16.752 1.768 1.003 0.784 0.833 0.417 CA 1.277 11 residues pruned to eliminate duplicates K: 14 19.743 1.777 0.656 0.862 1.000 0.846 CA 1.366 L: 13 17.124 1.707 1.120 0.882 0.917 0.500 CB 1.078 M: 12 15.524 1.697 0.692 0.875 0.909 0.727 CB 1.304 N: 10 23.133 1.859 1.004 0.875 1.000 0.667 CA 1.506 12 residues pruned to eliminate duplicates O: 12 7.828 1.757 0.525 0.848 0.636 0.273 CB 1.027 P: 14 16.326 1.903 0.447 0.845 1.000 0.846 CB 1.223 14 residues pruned to eliminate duplicates Q: 10 14.014 1.657 0.569 0.817 1.000 0.444 CB 1.364 R: 11 11.881 1.719 0.570 0.896 0.900 0.800 CB 1.108 S: 31 24.630 1.929 0.855 0.555 0.800 0.500 CB 1.489 18 residues pruned to eliminate duplicates T: 10 16.394 1.717 1.056 0.845 1.000 0.556 CA 1.150 10 residues pruned to eliminate duplicates U: 29 30.855 1.999 0.862 0.566 1.000 0.714 CA 1.470 23 residues pruned to eliminate duplicates V: 7 7.655 1.827 0.546 0.592 1.000 0.833 CB 1.013 W: 12 12.788 1.771 0.421 0.884 1.000 1.000 CB 1.107 X: 27 15.356 1.910 0.345 0.562 0.846 0.654 CB 1.304 Y: 6 9.881 1.769 0.396 0.817 1.000 1.000 CB 1.359 Z: 9 22.589 1.946 1.030 0.875 1.000 0.875 CA 1.470 9 residues pruned to eliminate duplicates Z: 11 17.001 1.946 0.403 0.897 0.900 0.800 CA 1.565 Z: 11 13.859 1.816 0.191 0.892 1.000 1.000 CB 1.455 11 residues pruned to eliminate duplicates Z: 18 11.285 1.708 0.606 0.360 0.882 0.529 CB 1.315 Z: 10 22.396 2.065 0.749 0.900 1.000 0.889 CB 1.476 11 residues pruned to eliminate duplicates Z: 10 16.291 1.864 0.608 0.823 1.000 0.444 CB 1.370 9 residues pruned to eliminate duplicates Z: 15 18.356 1.842 0.427 0.899 1.000 1.000 CA 1.334 15 residues pruned to eliminate duplicates Z: 11 16.638 1.970 0.625 0.808 1.000 0.700 CA 1.257 11 residues pruned to eliminate duplicates Z: 11 17.247 1.946 0.647 0.869 1.000 0.900 CB 1.243 11 residues pruned to eliminate duplicates Z: 12 5.915 1.673 0.576 0.331 0.636 0.455 CA 1.278 11 residues pruned to eliminate duplicates Z: 10 16.487 1.750 0.576 0.897 1.000 0.778 CB 1.426 10 residues pruned to eliminate duplicates Z: 20 9.066 1.683 0.377 0.369 0.789 0.421 CB 1.307 Z: 12 17.453 1.713 0.836 0.911 1.000 0.909 CA 1.186 9 residues pruned to eliminate duplicates Z: 8 6.390 1.920 0.071 0.612 0.857 0.429 CB 1.232 Z: 7 9.420 1.791 0.760 0.683 0.833 0.833 CB 1.238 7 residues pruned to eliminate duplicates Z: 14 29.421 1.967 1.114 0.895 1.000 0.692 CA 1.407 14 residues pruned to eliminate duplicates Z: 14 15.819 1.888 0.786 0.873 0.923 0.846 CB 1.026 Z: 39 26.457 1.818 0.699 0.471 1.000 0.605 CB 1.430 33 residues pruned to eliminate duplicates Z: 7 5.568 1.645 0.756 0.374 0.833 0.333 N 1.080 Z: 11 17.906 1.796 0.817 0.839 1.000 0.700 CA 1.296 Z: 19 23.368 1.754 0.677 0.855 0.944 0.722 CB 1.463 14 residues pruned to eliminate duplicates Z: 14 16.909 1.867 0.677 0.780 0.923 0.846 CA 1.268 15 residues pruned to eliminate duplicates Z: 9 13.818 1.823 0.483 0.897 1.000 0.875 CB 1.293 8 residues pruned to eliminate duplicates Z: 11 13.919 1.760 0.408 0.904 1.000 0.900 CB 1.265 9 residues pruned to eliminate duplicates Z: 6 13.527 1.973 1.279 0.866 1.000 0.800 CB 0.985 6 residues pruned to eliminate duplicates Z: 13 23.428 1.946 0.860 0.892 1.000 0.917 CA 1.342 13 residues pruned to eliminate duplicates Z: 16 22.158 1.729 1.085 0.909 0.867 0.733 CB 1.300 14 residues pruned to eliminate duplicates Z: 12 21.605 1.903 0.823 0.886 1.000 0.636 CA 1.355 12 residues pruned to eliminate duplicates Z: 8 3.314 1.635 0.196 0.425 0.714 0.429 CB 0.969 Z: 12 23.102 2.049 0.855 0.831 1.000 0.909 CA 1.377 12 residues pruned to eliminate duplicates Z: 18 19.265 1.631 0.680 0.862 0.941 0.765 CA 1.330 Z: 7 5.946 1.586 0.657 0.587 0.667 0.500 CA 1.275 7 residues pruned to eliminate duplicates Z: 11 25.160 1.808 1.068 0.837 1.000 0.700 N 1.592 11 residues pruned to eliminate duplicates Z: 11 9.560 1.754 0.432 0.778 0.900 0.700 CB 1.046 11 residues pruned to eliminate duplicates Z: 10 17.247 1.918 0.554 0.855 0.889 0.778 CA 1.602 10 residues pruned to eliminate duplicates Z: 8 5.172 1.629 0.496 0.400 0.857 0.571 CB 1.039 7 residues pruned to eliminate duplicates Z: 10 14.150 2.023 0.250 0.843 1.000 0.889 CA 1.389 10 residues pruned to eliminate duplicates Z: 12 14.664 1.576 0.746 0.858 1.000 0.727 CB 1.182 6 residues pruned to eliminate duplicates Z: 10 8.302 1.765 0.605 0.533 0.889 0.333 CB 1.064 Z: 8 8.358 1.899 0.753 0.901 1.000 0.857 CB 0.677 8 residues pruned to eliminate duplicates Z: 10 14.324 1.746 0.753 0.892 0.778 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 11 17.302 1.774 0.442 0.911 1.000 0.800 N 1.517 11 residues pruned to eliminate duplicates Z: 8 2.478 1.611 0.275 0.342 0.714 0.571 CB 0.758 Z: 13 18.098 1.853 0.771 0.828 0.917 0.750 CB 1.308 Z: 12 10.339 1.589 0.554 0.828 0.909 0.909 CA 1.045 10 residues pruned to eliminate duplicates Z: 14 20.256 1.768 0.724 0.803 1.000 0.538 CB 1.414 13 residues pruned to eliminate duplicates Z: 13 20.438 1.969 0.913 0.783 0.917 0.750 CA 1.331 14 residues pruned to eliminate duplicates Z: 10 12.174 1.718 0.458 0.844 0.889 0.889 CB 1.357 10 residues pruned to eliminate duplicates Z: 15 15.135 1.694 0.722 0.844 0.857 0.571 CB 1.204 14 residues pruned to eliminate duplicates Z: 12 18.726 1.931 0.741 0.757 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 17 17.824 1.799 0.782 0.824 0.875 0.750 CA 1.200 12 residues pruned to eliminate duplicates Z: 10 12.363 1.658 0.690 0.875 1.000 0.889 CB 1.069 10 residues pruned to eliminate duplicates Z: 6 3.495 1.694 -0.125 0.292 1.000 0.400 N 1.331 Z: 11 21.316 1.831 0.800 0.898 1.000 0.900 CA 1.463 11 residues pruned to eliminate duplicates Z: 15 25.296 1.953 0.913 0.918 1.000 0.857 CB 1.276 14 residues pruned to eliminate duplicates Z: 7 6.054 1.753 0.605 0.496 1.000 0.500 CB 0.882 Z: 13 23.584 1.801 0.907 0.929 1.000 0.500 CA 1.387 Z: 8 8.950 1.547 0.852 0.838 0.857 0.714 CB 1.029 Z: 12 13.189 1.677 0.364 0.907 1.000 1.000 CA 1.236 12 residues pruned to eliminate duplicates Z: 6 2.334 1.674 0.354 0.377 0.400 0.400 O 1.312 Z: 12 12.210 1.551 0.585 0.857 0.909 0.818 CB 1.213 Z: 13 16.042 1.814 0.488 0.909 1.000 0.750 CB 1.217 13 residues pruned to eliminate duplicates Z: 11 12.975 1.702 0.381 0.890 1.000 0.800 O 1.256 11 residues pruned to eliminate duplicates Z: 19 16.178 1.705 0.839 0.840 0.833 0.556 CB 1.089 16 residues pruned to eliminate duplicates Z: 10 9.251 1.646 0.519 0.590 0.889 0.556 CB 1.273 Z: 18 26.324 1.836 1.153 0.882 0.941 0.824 CB 1.242 15 residues pruned to eliminate duplicates Z: 7 4.436 1.520 0.510 0.405 0.833 0.500 N 1.046 8 residues pruned to eliminate duplicates Z: 21 20.141 1.801 0.735 0.830 0.900 0.650 CA 1.204 12 residues pruned to eliminate duplicates Z: 7 5.387 1.515 0.425 0.552 1.000 0.500 N 0.968 Z: 10 9.417 1.754 0.465 0.855 0.889 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 6 3.163 1.736 0.478 0.377 0.600 0.600 CB 1.047 Z: 11 17.725 1.831 0.892 0.852 0.900 0.900 CA 1.329 11 residues pruned to eliminate duplicates Z: 7 6.219 1.429 0.673 0.597 0.833 0.500 CB 1.162 Z: 15 18.897 1.781 0.658 0.842 1.000 0.786 CA 1.275 16 residues pruned to eliminate duplicates Z: 12 12.308 1.614 0.641 0.745 0.909 0.636 CA 1.238 12 residues pruned to eliminate duplicates Z: 10 19.287 1.781 0.631 0.911 1.000 0.778 CA 1.569 10 residues pruned to eliminate duplicates Z: 7 11.542 1.657 0.908 0.864 1.000 0.667 CB 1.093 8 residues pruned to eliminate duplicates Z: 15 14.552 1.769 0.511 0.739 0.929 0.714 CA 1.264 Z: 30 16.796 1.753 0.799 0.597 0.828 0.414 CB 1.089 29 residues pruned to eliminate duplicates Z: 15 18.065 1.724 0.735 0.918 1.000 0.929 CB 1.139 14 residues pruned to eliminate duplicates Z: 9 6.606 1.539 0.149 0.767 0.875 0.500 CA 1.192 Z: 10 12.165 1.681 0.507 0.877 0.889 0.778 CA 1.308 10 residues pruned to eliminate duplicates Z: 14 16.535 1.805 0.732 0.790 1.000 0.615 CA 1.137 14 residues pruned to eliminate duplicates Z: 9 11.836 1.865 0.302 0.914 1.000 1.000 CB 1.219 9 residues pruned to eliminate duplicates Z: 11 19.991 1.901 0.997 0.854 1.000 0.900 CB 1.230 11 residues pruned to eliminate duplicates Z: 17 20.489 1.862 0.811 0.823 0.875 0.812 CB 1.312 18 residues pruned to eliminate duplicates Z: 6 10.316 1.652 0.715 0.850 1.000 0.800 CA 1.206 6 residues pruned to eliminate duplicates Z: 11 24.690 1.876 1.216 0.857 0.900 0.800 CA 1.538 11 residues pruned to eliminate duplicates Z: 12 20.483 1.877 0.693 0.815 1.000 0.455 CB 1.478 12 residues pruned to eliminate duplicates Z: 18 11.804 1.589 0.588 0.626 0.882 0.529 CB 1.142 10 residues pruned to eliminate duplicates Z: 13 11.071 1.928 0.346 0.482 0.917 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 11 11.330 1.766 0.151 0.896 1.000 1.000 CB 1.262 Z: 6 2.153 1.588 0.352 0.421 0.600 0.600 CB 0.812 Z: 12 27.201 1.819 1.361 0.926 1.000 0.818 CB 1.339 12 residues pruned to eliminate duplicates Z: 8 7.669 1.634 0.629 0.447 0.857 0.571 N 1.343 8 residues pruned to eliminate duplicates Z: 7 8.239 1.739 0.697 0.632 0.833 0.667 CA 1.208 Z: 12 9.078 1.616 0.138 0.856 0.909 0.909 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 27.358 1.783 0.995 0.891 1.000 0.706 N 1.341 18 residues pruned to eliminate duplicates Z: 10 19.185 1.721 0.910 0.865 1.000 0.778 CB 1.426 18 residues pruned to eliminate duplicates Z: 9 8.694 1.649 0.190 0.826 1.000 0.875 O 1.181 7 residues pruned to eliminate duplicates Z: 7 7.424 1.612 0.582 0.671 0.833 0.667 O 1.219 7 residues pruned to eliminate duplicates Z: 20 23.555 1.937 0.887 0.800 0.947 0.737 CB 1.200 20 residues pruned to eliminate duplicates Z: 9 9.683 1.438 0.798 0.704 1.000 0.625 O 1.100 Z: 11 22.098 1.827 0.650 0.917 1.000 0.900 O 1.635 11 residues pruned to eliminate duplicates Z: 10 9.114 1.848 0.768 0.380 0.778 0.556 CB 1.358 Z: 6 2.256 1.552 0.599 0.251 0.600 0.600 CB 0.903 Z: 11 6.713 1.708 0.173 0.871 0.900 0.800 CB 0.858 11 residues pruned to eliminate duplicates Z: 31 10.902 1.594 0.634 0.260 0.800 0.467 CA 1.257 Z: 26 18.255 1.743 0.714 0.634 0.800 0.520 CB 1.347 17 residues pruned to eliminate duplicates Z: 17 29.052 1.912 1.268 0.912 1.000 0.938 CB 1.186 17 residues pruned to eliminate duplicates Z: 14 6.773 1.610 0.561 0.149 0.923 0.462 CA 1.248 Z: 17 13.092 1.834 0.276 0.825 0.812 0.688 CB 1.299 17 residues pruned to eliminate duplicates Z: 19 21.702 1.879 0.888 0.835 1.000 0.833 CB 1.081 19 residues pruned to eliminate duplicates Z: 7 7.729 1.737 0.719 0.823 0.833 0.833 CB 0.958 Z: 13 16.524 1.899 0.348 0.850 1.000 1.000 CA 1.381 13 residues pruned to eliminate duplicates Z: 10 14.363 1.940 1.108 0.901 0.889 0.444 CB 0.940 11 residues pruned to eliminate duplicates Z: 17 22.800 1.899 0.906 0.875 1.000 0.875 CB 1.145 17 residues pruned to eliminate duplicates Z: 15 8.310 1.694 0.515 0.435 0.929 0.500 CB 0.997 16 residues pruned to eliminate duplicates Z: 13 8.288 1.590 0.568 0.495 0.833 0.583 N 1.157 8 residues pruned to eliminate duplicates Z: 7 10.629 1.699 0.854 0.653 1.000 0.333 N 1.195 Z: 8 3.136 1.376 0.516 0.589 0.857 0.714 CB 0.609 Z: 9 11.088 1.877 0.572 0.907 1.000 1.000 CB 0.944 9 residues pruned to eliminate duplicates Z: 8 5.789 1.602 0.687 0.354 0.857 0.429 N 1.106 8 residues pruned to eliminate duplicates Z: 12 18.882 1.819 0.682 0.878 1.000 0.909 CA 1.350 12 residues pruned to eliminate duplicates Z: 9 8.026 1.548 1.016 0.418 0.750 0.375 O 1.320 Z: 15 9.679 1.738 0.510 0.910 0.929 0.857 CB 0.753 7 residues pruned to eliminate duplicates Z: 11 15.727 1.904 0.721 0.791 0.900 0.800 CB 1.307 10 residues pruned to eliminate duplicates Z: 15 13.606 1.586 0.948 0.767 0.714 0.429 CA 1.301 15 residues pruned to eliminate duplicates Z: 16 15.195 1.542 0.994 0.841 0.933 0.467 CA 1.020 15 residues pruned to eliminate duplicates Z: 15 15.753 1.670 0.702 0.915 0.929 0.643 CB 1.127 14 residues pruned to eliminate duplicates Z: 17 22.891 1.935 0.981 0.851 0.938 0.688 CB 1.179 17 residues pruned to eliminate duplicates Z: 19 20.148 1.640 0.666 0.843 1.000 0.833 CA 1.294 20 residues pruned to eliminate duplicates Z: 18 16.091 1.814 0.750 0.834 0.824 0.706 CB 1.119 18 residues pruned to eliminate duplicates Z: 11 16.018 1.769 0.831 0.779 0.800 0.700 CA 1.528 11 residues pruned to eliminate duplicates Z: 14 5.162 1.458 0.335 0.237 0.923 0.615 CB 1.081 14 residues pruned to eliminate duplicates Z: 17 11.296 1.712 0.311 0.747 0.875 0.750 CB 1.154 17 residues pruned to eliminate duplicates Z: 26 21.035 1.846 0.885 0.694 0.920 0.480 CB 1.101 20 residues pruned to eliminate duplicates Z: 8 4.272 1.623 0.274 0.336 0.857 0.571 CA 1.090 Z: 15 21.704 1.793 0.818 0.904 0.929 0.571 CA 1.365 25 residues pruned to eliminate duplicates Z: 11 22.227 1.934 0.632 0.868 1.000 0.600 CA 1.627 11 residues pruned to eliminate duplicates Z: 12 13.583 1.805 0.322 0.908 1.000 1.000 CA 1.218 12 residues pruned to eliminate duplicates Z: 11 9.050 1.650 0.910 0.377 0.800 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 6 11.148 1.752 0.741 0.821 1.000 0.800 CB 1.238 6 residues pruned to eliminate duplicates Z: 8 5.031 1.509 0.728 0.329 0.857 0.714 CB 1.026 Z: 14 24.198 1.895 0.734 0.923 1.000 0.846 CA 1.435 14 residues pruned to eliminate duplicates Z: 8 4.292 1.837 0.272 0.405 0.714 0.571 N 1.075 Z: 14 22.703 1.895 0.868 0.842 1.000 0.692 CA 1.325 14 residues pruned to eliminate duplicates Z: 11 10.712 1.796 0.131 0.933 1.000 0.900 CB 1.164 11 residues pruned to eliminate duplicates Z: 14 14.504 1.733 0.600 0.823 1.000 0.615 CB 1.097 14 residues pruned to eliminate duplicates Z: 14 12.327 1.654 0.766 0.764 1.000 0.769 CB 0.927 13 residues pruned to eliminate duplicates Z: 12 8.979 1.514 0.529 0.860 0.818 0.455 CA 1.051 12 residues pruned to eliminate duplicates Z: 11 13.503 1.942 0.043 0.922 1.000 1.000 CA 1.482 11 residues pruned to eliminate duplicates Z: 14 8.950 1.638 0.297 0.783 0.692 0.692 N 1.316 14 residues pruned to eliminate duplicates Z: 13 17.840 1.939 0.650 0.785 1.000 0.500 CB 1.253 13 residues pruned to eliminate duplicates Z: 7 5.763 1.312 0.657 0.795 0.833 0.667 N 1.002 7 residues pruned to eliminate duplicates Z: 15 9.102 1.713 0.219 0.893 0.929 0.714 CB 0.901 15 residues pruned to eliminate duplicates Z: 12 14.290 1.910 0.423 0.905 1.000 0.636 CB 1.129 12 residues pruned to eliminate duplicates Z: 9 11.994 1.763 0.845 0.667 1.000 0.625 CB 1.117 9 residues pruned to eliminate duplicates Z: 20 22.460 1.729 0.850 0.852 0.947 0.526 CB 1.257 23 residues pruned to eliminate duplicates Z: 6 2.865 1.807 -0.273 0.647 0.800 0.600 CB 1.063 Z: 14 22.194 1.918 0.684 0.913 1.000 0.923 CA 1.349 14 residues pruned to eliminate duplicates Z: 17 10.250 1.566 0.690 0.521 0.750 0.625 O 1.263 19 residues pruned to eliminate duplicates Z: 11 24.701 1.822 1.049 0.868 1.000 0.900 CA 1.530 11 residues pruned to eliminate duplicates Z: 6 4.734 1.602 0.308 0.553 0.800 0.800 N 1.199 Z: 18 22.665 1.890 1.010 0.854 0.941 0.824 CB 1.136 18 residues pruned to eliminate duplicates Z: 11 15.217 1.638 0.748 0.809 1.000 0.800 CA 1.284 11 residues pruned to eliminate duplicates Z: 12 21.342 1.817 0.928 0.818 0.909 0.636 CA 1.534 10 residues pruned to eliminate duplicates Z: 13 16.434 1.800 0.580 0.845 0.917 0.833 CB 1.352 13 residues pruned to eliminate duplicates Z: 9 13.841 1.745 1.007 0.814 0.875 0.625 CB 1.215 9 residues pruned to eliminate duplicates Z: 6 3.824 1.441 0.536 0.475 0.800 0.600 O 0.990 6 residues pruned to eliminate duplicates Z: 14 6.528 1.548 0.224 0.421 0.846 0.385 N 1.226 Z: 10 7.740 1.610 0.533 0.521 1.000 0.556 CA 1.023 14 residues pruned to eliminate duplicates Z: 13 9.261 1.597 0.665 0.508 0.833 0.583 CB 1.197 7 residues pruned to eliminate duplicates Z: 11 6.652 1.548 0.582 0.490 0.800 0.700 CB 1.084 10 residues pruned to eliminate duplicates Z: 9 5.266 1.414 0.348 0.700 0.875 0.625 CB 0.930 9 residues pruned to eliminate duplicates Z: 9 6.313 1.464 0.338 0.715 1.000 0.500 CB 0.938 9 residues pruned to eliminate duplicates Z: 19 20.029 1.720 0.765 0.775 0.889 0.667 CA 1.373 18 residues pruned to eliminate duplicates Z: 6 3.843 1.576 0.331 0.296 0.800 0.400 O 1.286 Z: 17 24.534 1.771 0.808 0.887 1.000 0.688 CB 1.381 20 residues pruned to eliminate duplicates Z: 19 16.540 1.851 0.686 0.544 0.889 0.556 CB 1.347 21 residues pruned to eliminate duplicates Z: 6 11.061 1.905 0.815 0.675 1.000 0.800 CB 1.218 6 residues pruned to eliminate duplicates Z: 13 4.750 1.573 0.600 0.309 0.583 0.500 CB 1.155 13 residues pruned to eliminate duplicates Z: 10 10.796 1.671 0.382 0.826 0.889 0.889 O 1.322 10 residues pruned to eliminate duplicates Z: 14 12.598 1.625 0.492 0.837 0.923 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 7 6.936 1.731 0.402 0.597 0.833 0.667 N 1.276 Z: 11 16.586 1.801 0.563 0.904 1.000 0.900 CA 1.327 11 residues pruned to eliminate duplicates Z: 8 12.435 1.807 0.313 0.901 1.000 1.000 CB 1.414 8 residues pruned to eliminate duplicates Z: 25 18.057 1.863 0.330 0.596 1.000 0.792 CA 1.356 28 residues pruned to eliminate duplicates Z: 24 25.154 1.936 0.749 0.571 1.000 0.565 CB 1.446 24 residues pruned to eliminate duplicates Z: 15 11.676 1.566 0.502 0.938 1.000 0.714 CB 0.922 15 residues pruned to eliminate duplicates Z: 16 26.813 1.798 0.840 0.903 1.000 0.667 N 1.492 16 residues pruned to eliminate duplicates Z: 12 18.332 1.811 0.783 0.804 1.000 0.727 CB 1.313 12 residues pruned to eliminate duplicates Z: 11 16.054 1.669 0.719 0.812 1.000 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 10 7.276 1.651 0.480 0.784 0.667 0.333 CB 1.160 10 residues pruned to eliminate duplicates Z: 10 19.172 1.959 1.038 0.893 0.889 0.778 CB 1.293 10 residues pruned to eliminate duplicates Z: 14 7.125 1.427 0.434 0.894 1.000 0.692 CB 0.693 Z: 12 22.972 2.038 0.772 0.824 0.909 0.727 CA 1.593 12 residues pruned to eliminate duplicates Z: 13 11.544 1.606 0.545 0.819 0.917 0.667 CA 1.111 13 residues pruned to eliminate duplicates Z: 9 9.315 1.789 0.630 0.429 0.875 0.750 CB 1.390 10 residues pruned to eliminate duplicates Z: 14 17.012 1.696 0.789 0.854 1.000 0.692 CA 1.148 13 residues pruned to eliminate duplicates Z: 8 7.215 1.623 0.162 0.813 1.000 0.857 CB 1.101 8 residues pruned to eliminate duplicates 6 0.618 1.385 0.125 0.298 0.400 0.400 CB 0.556 ? Z: 18 18.174 1.738 0.519 0.736 0.941 0.529 CA 1.435 18 residues pruned to eliminate duplicates Z: 9 9.319 1.744 0.550 0.471 0.875 0.500 N 1.435 Z: 25 17.806 1.915 0.832 0.665 0.917 0.625 CB 0.970 25 residues pruned to eliminate duplicates Z: 10 5.869 1.652 0.209 0.555 0.778 0.556 CA 1.194 10 residues pruned to eliminate duplicates Z: 6 12.141 1.761 0.558 0.787 1.000 0.400 C 1.537 6 residues pruned to eliminate duplicates Z: 11 17.218 1.647 1.049 0.826 1.000 0.800 CA 1.217 11 residues pruned to eliminate duplicates Z: 6 11.044 1.699 0.933 0.811 1.000 0.800 CB 1.147 8 residues pruned to eliminate duplicates Z: 8 4.470 1.266 0.461 0.756 0.857 0.857 N 0.849 Z: 15 23.328 1.839 0.911 0.859 1.000 0.786 CA 1.306 15 residues pruned to eliminate duplicates Z: 17 16.795 1.711 0.804 0.830 0.938 0.875 CB 1.091 17 residues pruned to eliminate duplicates Z: 7 5.133 1.528 0.291 0.753 0.833 0.667 CB 1.018 7 residues pruned to eliminate duplicates Z: 12 7.535 1.666 0.540 0.430 0.909 0.636 CB 1.047 11 residues pruned to eliminate duplicates Z: 11 13.066 1.640 0.429 0.826 1.000 0.500 CB 1.329 11 residues pruned to eliminate duplicates Z: 12 15.872 1.796 0.458 0.878 1.000 0.818 CB 1.327 12 residues pruned to eliminate duplicates Z: 11 11.974 1.785 0.578 0.879 0.900 0.900 CA 1.083 11 residues pruned to eliminate duplicates Z: 10 24.933 1.979 1.003 0.915 1.000 0.556 CA 1.481 10 residues pruned to eliminate duplicates Z: 9 6.453 1.679 0.323 0.611 0.750 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 23 14.970 1.680 0.501 0.628 0.909 0.636 CB 1.235 23 residues pruned to eliminate duplicates Z: 16 15.968 1.704 0.872 0.479 0.933 0.600 CB 1.415 16 residues pruned to eliminate duplicates Z: 8 5.984 1.334 0.757 0.614 1.000 0.571 N 0.867 8 residues pruned to eliminate duplicates Z: 11 16.296 1.811 0.840 0.881 0.900 0.900 CB 1.244 11 residues pruned to eliminate duplicates 6 1.696 1.759 -0.170 0.295 1.000 0.800 CB 0.654 ? Z: 9 4.867 1.501 0.570 0.330 0.750 0.375 CB 1.172 Z: 10 6.696 1.756 0.828 0.824 0.778 0.778 CB 0.675 10 residues pruned to eliminate duplicates Z: 22 18.239 1.788 0.815 0.744 0.857 0.476 CB 1.150 22 residues pruned to eliminate duplicates Z: 11 14.637 1.817 0.529 0.913 1.000 0.800 CB 1.180 11 residues pruned to eliminate duplicates Z: 8 3.209 1.411 0.185 0.461 1.000 0.286 CB 0.755 Z: 17 20.089 1.754 0.774 0.875 1.000 0.750 CB 1.174 17 residues pruned to eliminate duplicates Z: 13 22.228 1.819 0.931 0.907 1.000 0.583 CB 1.299 15 residues pruned to eliminate duplicates Z: 14 13.147 1.868 0.754 0.454 0.846 0.615 CB 1.379 16 residues pruned to eliminate duplicates Z: 9 9.782 1.714 0.750 0.560 1.000 0.375 CB 1.088 7 residues pruned to eliminate duplicates Z: 6 10.742 1.769 0.940 0.415 1.000 1.000 N 1.529 Z: 72 34.927 1.794 0.636 0.617 0.859 0.563 CA 1.472 67 residues pruned to eliminate duplicates Z: 18 12.137 1.743 0.610 0.449 0.882 0.529 CA 1.252 20 residues pruned to eliminate duplicates Z: 14 11.371 1.748 0.374 0.783 1.000 0.615 CA 1.023 14 residues pruned to eliminate duplicates Z: 31 16.411 1.741 0.699 0.579 0.800 0.567 CB 1.173 58 residues pruned to eliminate duplicates Z: 14 19.519 1.706 0.887 0.867 1.000 0.462 CA 1.230 14 residues pruned to eliminate duplicates Z: 15 18.766 1.772 0.688 0.816 1.000 0.429 CB 1.274 15 residues pruned to eliminate duplicates Z: 8 8.320 1.899 0.209 0.587 1.000 0.714 CB 1.260 10 residues pruned to eliminate duplicates Z: 19 13.077 1.772 1.001 0.627 0.833 0.500 CB 0.925 19 residues pruned to eliminate duplicates 6 1.633 1.302 0.216 0.871 1.000 0.800 CB 0.336 ? Z: 17 10.632 1.703 0.591 0.447 0.812 0.375 CA 1.275 17 residues pruned to eliminate duplicates Z: 13 13.528 1.806 0.427 0.883 1.000 0.667 CB 1.095 13 residues pruned to eliminate duplicates Z: 6 6.628 1.673 0.650 0.486 0.800 0.400 N 1.362 Z: 6 2.379 1.298 0.285 0.526 1.000 0.600 CB 0.621 Z: 30 12.557 1.676 0.645 0.414 0.897 0.552 CB 1.032 30 residues pruned to eliminate duplicates Z: 12 18.925 2.005 0.548 0.809 0.909 0.636 CB 1.545 12 residues pruned to eliminate duplicates Z: 30 29.722 1.992 0.878 0.554 0.966 0.586 CB 1.449 30 residues pruned to eliminate duplicates Z: 12 13.001 1.677 0.523 0.855 1.000 0.909 CB 1.133 12 residues pruned to eliminate duplicates Z: 14 21.574 1.806 0.818 0.862 1.000 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 15 12.482 1.720 0.712 0.535 0.786 0.500 CA 1.393 Z: 11 8.143 1.683 0.877 0.409 0.800 0.800 CB 1.121 11 residues pruned to eliminate duplicates Z: 11 20.199 2.000 0.722 0.892 1.000 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 6 3.664 1.690 0.261 0.450 1.000 0.600 CB 0.809 Z: 13 13.716 1.681 0.447 0.849 1.000 0.667 CB 1.206 13 residues pruned to eliminate duplicates Z: 9 6.273 1.590 0.337 0.470 0.875 0.625 CB 1.229 8 residues pruned to eliminate duplicates Z: 9 12.093 1.810 0.514 0.891 1.000 1.000 CB 1.121 9 residues pruned to eliminate duplicates Z: 8 2.374 1.387 0.624 0.360 0.571 0.429 N 0.810 Z: 8 6.838 1.470 0.825 0.466 0.857 0.571 CB 1.164 Z: 25 18.995 1.725 0.781 0.620 0.875 0.625 CA 1.288 21 residues pruned to eliminate duplicates Z: 19 13.775 1.689 0.524 0.750 0.889 0.667 CB 1.135 18 residues pruned to eliminate duplicates Z: 17 15.769 1.845 0.613 0.834 0.875 0.625 CB 1.135 17 residues pruned to eliminate duplicates Z: 12 18.441 1.831 0.767 0.891 1.000 0.636 CB 1.235 12 residues pruned to eliminate duplicates Z: 16 19.565 1.701 0.625 0.926 0.933 0.867 CA 1.374 16 residues pruned to eliminate duplicates Z: 6 8.667 1.578 1.008 0.846 1.000 0.600 CB 0.908 Z: 6 4.781 1.427 0.550 0.579 0.800 0.800 CB 1.120 Z: 8 3.351 1.590 0.377 0.320 0.571 0.429 N 1.234 8 residues pruned to eliminate duplicates Z: 20 21.532 1.867 0.867 0.728 0.947 0.737 CB 1.218 20 residues pruned to eliminate duplicates Z: 10 11.626 1.866 0.562 0.893 1.000 0.778 CB 0.954 10 residues pruned to eliminate duplicates Z: 9 4.405 1.583 0.484 0.702 0.500 0.500 CB 1.103 Z: 15 15.328 1.743 0.858 0.689 0.857 0.643 CB 1.242 11 residues pruned to eliminate duplicates 6 1.885 1.526 -0.329 0.427 0.800 0.400 CB 1.109 ? Z: 18 20.919 1.685 0.798 0.834 1.000 0.412 CB 1.255 18 residues pruned to eliminate duplicates Z: 11 14.299 1.767 0.592 0.867 1.000 1.000 CB 1.176 11 residues pruned to eliminate duplicates Z: 15 17.558 1.631 0.817 0.816 1.000 0.714 CB 1.203 15 residues pruned to eliminate duplicates Z: 12 6.436 1.755 0.439 0.266 0.818 0.545 CB 1.227 Z: 11 14.240 1.703 0.865 0.900 0.900 0.700 CB 1.125 9 residues pruned to eliminate duplicates Z: 12 6.391 1.624 0.243 0.580 1.000 0.727 CB 0.884 22 residues pruned to eliminate duplicates Z: 11 15.118 1.853 0.405 0.886 1.000 0.900 CB 1.325 12 residues pruned to eliminate duplicates Z: 28 19.431 1.824 0.606 0.665 0.889 0.593 CB 1.232 27 residues pruned to eliminate duplicates Z: 11 14.315 1.789 0.685 0.854 0.900 0.400 CB 1.232 12 residues pruned to eliminate duplicates Z: 8 6.719 1.629 0.071 0.865 1.000 1.000 CB 1.066 8 residues pruned to eliminate duplicates Z: 10 9.141 1.720 0.553 0.831 0.778 0.333 CB 1.102 10 residues pruned to eliminate duplicates Z: 9 4.526 1.531 0.164 0.423 1.000 0.875 CB 0.973 9 residues pruned to eliminate duplicates Z: 16 20.025 1.788 0.592 0.917 1.000 0.800 CA 1.282 15 residues pruned to eliminate duplicates Z: 14 14.865 1.775 0.670 0.863 0.923 0.308 CB 1.105 14 residues pruned to eliminate duplicates Z: 6 2.879 1.554 0.296 0.255 0.600 0.400 CB 1.413 Z: 6 2.142 1.194 0.197 0.529 0.800 0.600 CB 0.814 Z: 23 10.462 1.717 0.434 0.340 0.818 0.364 CB 1.318 26 residues pruned to eliminate duplicates Z: 14 7.114 1.498 0.437 0.629 1.000 0.692 CB 0.812 8 residues pruned to eliminate duplicates Z: 9 11.272 1.791 0.295 0.893 1.000 0.750 CB 1.233 9 residues pruned to eliminate duplicates Z: 7 5.918 1.733 0.441 0.626 1.000 0.833 CB 0.859 6 residues pruned to eliminate duplicates Z: 15 4.968 1.535 0.259 0.236 0.857 0.429 CA 1.089 15 residues pruned to eliminate duplicates Z: 7 9.394 1.875 0.072 0.854 1.000 1.000 CB 1.410 7 residues pruned to eliminate duplicates Z: 10 20.764 1.990 1.169 0.902 0.889 0.889 CB 1.287 10 residues pruned to eliminate duplicates Z: 8 2.989 1.432 0.324 0.274 0.857 0.429 CB 0.898 Z: 14 11.854 1.679 0.503 0.666 0.923 0.231 CA 1.211 24 residues pruned to eliminate duplicates Z: 15 10.319 1.636 0.808 0.404 0.857 0.571 CB 1.204 22 residues pruned to eliminate duplicates Z: 24 21.457 1.849 0.716 0.553 0.913 0.652 CB 1.467 24 residues pruned to eliminate duplicates Z: 7 6.124 1.543 0.218 0.619 1.000 0.667 O 1.189 Z: 9 4.428 1.464 0.730 0.297 0.750 0.500 CB 1.034 7 residues pruned to eliminate duplicates Z: 9 6.465 1.520 0.380 0.650 0.875 0.375 CA 1.084 9 residues pruned to eliminate duplicates Z: 10 3.025 1.343 0.575 0.268 0.778 0.444 CB 0.798 6 1.951 1.361 0.142 0.488 1.000 0.600 CB 0.568 ? Z: 20 8.586 1.461 0.604 0.390 0.895 0.474 CB 1.056 20 residues pruned to eliminate duplicates Z: 9 8.151 1.721 0.230 0.828 0.750 0.625 CB 1.367 9 residues pruned to eliminate duplicates Z: 21 24.590 1.800 0.904 0.826 0.950 0.500 CB 1.274 22 residues pruned to eliminate duplicates Z: 15 17.704 1.755 0.767 0.860 0.929 0.429 CB 1.209 15 residues pruned to eliminate duplicates Z: 9 5.753 1.452 0.222 0.549 1.000 0.750 N 1.092 Z: 8 6.490 1.635 0.384 0.671 1.000 0.571 CB 0.925 8 residues pruned to eliminate duplicates Z: 6 2.683 1.306 0.151 0.438 1.000 0.800 CB 0.851 Z: 12 14.867 1.584 0.725 0.903 1.000 1.000 CB 1.169 11 residues pruned to eliminate duplicates Z: 9 4.906 1.346 0.430 0.600 0.750 0.625 C 1.092 9 residues pruned to eliminate duplicates Z: 9 3.441 1.408 0.559 0.694 0.625 0.500 CB 0.743 Z: 7 3.765 1.605 -0.155 0.559 0.833 0.667 CB 1.285 Z: 21 7.296 1.566 0.395 0.407 0.800 0.650 CB 1.029 21 residues pruned to eliminate duplicates Z: 14 18.941 1.749 0.769 0.873 0.923 0.692 CA 1.339 14 residues pruned to eliminate duplicates Z: 13 10.131 1.677 0.240 0.863 1.000 0.750 CB 1.032 13 residues pruned to eliminate duplicates Z: 27 22.178 1.789 0.835 0.612 0.885 0.654 CB 1.347 22 residues pruned to eliminate duplicates Z: 10 6.665 1.677 0.484 0.219 1.000 0.444 CA 1.242 10 residues pruned to eliminate duplicates Z: 6 3.114 1.485 0.667 0.222 0.800 0.400 N 0.973 Z: 11 18.419 1.769 0.959 0.809 1.000 0.700 CB 1.284 11 residues pruned to eliminate duplicates Z: 8 4.637 1.424 0.638 0.568 0.714 0.429 O 0.985 8 residues pruned to eliminate duplicates Z: 10 2.950 1.321 0.401 0.280 0.667 0.444 CB 1.021 Z: 18 10.001 1.791 0.495 0.381 0.882 0.471 CB 1.165 18 residues pruned to eliminate duplicates Z: 11 19.935 1.702 0.907 0.889 1.000 0.900 CB 1.399 10 residues pruned to eliminate duplicates Z: 7 4.247 1.528 0.416 0.822 0.833 0.500 CB 0.727 7 residues pruned to eliminate duplicates Z: 6 3.615 1.384 0.521 0.298 1.000 0.600 CB 0.962 11 residues pruned to eliminate duplicates Z: 16 9.580 1.694 0.344 0.550 0.867 0.600 CB 1.194 16 residues pruned to eliminate duplicates Z: 16 12.020 1.566 0.578 0.895 1.000 0.800 CB 0.900 16 residues pruned to eliminate duplicates Z: 14 10.729 1.550 0.567 0.459 1.000 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 8 5.855 1.802 0.201 0.425 1.000 0.571 CB 1.105 7 residues pruned to eliminate duplicates Z: 20 19.247 1.646 0.744 0.863 0.947 0.579 CB 1.191 16 residues pruned to eliminate duplicates Z: 24 20.329 1.786 0.794 0.712 0.957 0.565 CB 1.141 24 residues pruned to eliminate duplicates Z: 14 11.471 1.753 0.476 0.770 0.923 0.692 CB 1.049 14 residues pruned to eliminate duplicates Z: 9 9.880 1.918 0.320 0.899 1.000 1.000 CB 0.986 9 residues pruned to eliminate duplicates 6 1.791 1.337 0.540 0.154 1.000 0.400 N 0.595 ? Z: 30 11.034 1.694 0.806 0.312 0.793 0.379 CB 1.040 29 residues pruned to eliminate duplicates Z: 7 2.453 1.564 -0.203 0.552 0.833 0.667 CB 0.916 Z: 8 8.140 1.612 0.471 0.746 0.857 0.714 N 1.215 8 residues pruned to eliminate duplicates 7 1.853 1.280 0.874 0.386 0.667 0.333 N 0.534 ? Z: 9 13.423 1.853 0.811 0.797 1.000 0.750 CB 1.090 9 residues pruned to eliminate duplicates Z: 19 8.529 1.715 0.635 0.341 0.944 0.611 CB 0.903 19 residues pruned to eliminate duplicates Z: 12 6.201 1.729 0.297 0.804 0.909 0.818 CB 0.703 11 residues pruned to eliminate duplicates Z: 8 6.229 1.573 0.397 0.452 1.000 0.429 CB 1.126 Z: 14 7.442 1.645 0.489 0.353 0.923 0.615 CB 1.071 14 residues pruned to eliminate duplicates 6 1.112 1.194 0.073 0.296 0.800 0.600 N 0.609 ? Z: 20 9.487 1.784 0.671 0.457 0.737 0.316 CB 1.035 20 residues pruned to eliminate duplicates Z: 6 3.840 1.546 0.487 0.289 0.800 0.400 CB 1.183 Z: 7 2.604 1.249 0.436 0.569 0.833 0.667 N 0.665 Z: 10 6.021 1.475 0.294 0.926 1.000 1.000 CB 0.738 10 residues pruned to eliminate duplicates Z: 11 14.899 1.768 0.667 0.897 1.000 0.900 CB 1.144 11 residues pruned to eliminate duplicates Z: 8 4.991 1.492 0.873 0.542 0.857 0.571 N 0.756 8 residues pruned to eliminate duplicates Z: 11 10.024 1.811 0.189 0.871 0.900 0.800 CA 1.193 11 residues pruned to eliminate duplicates Z: 8 2.618 1.616 1.018 0.464 0.714 0.286 CB 0.441 Z: 11 18.339 1.660 0.797 0.897 1.000 1.000 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 7.406 1.630 0.500 0.286 0.900 0.600 CB 1.355 13 residues pruned to eliminate duplicates Z: 11 12.182 1.587 0.688 0.820 1.000 0.400 CB 1.089 11 residues pruned to eliminate duplicates Z: 9 5.810 1.651 0.463 0.368 0.875 0.500 CB 1.120 9 residues pruned to eliminate duplicates Z: 13 18.310 1.826 0.683 0.877 1.000 0.833 CB 1.250 13 residues pruned to eliminate duplicates Z: 22 13.109 1.660 0.463 0.628 1.000 0.476 CB 1.044 22 residues pruned to eliminate duplicates Z: 9 8.744 1.576 0.640 0.879 1.000 0.375 CB 0.867 9 residues pruned to eliminate duplicates 6 1.979 1.434 0.413 0.175 0.800 0.400 CB 0.809 ? Z: 9 8.052 1.657 0.581 0.665 0.750 0.500 CB 1.244 9 residues pruned to eliminate duplicates Z: 8 6.898 1.539 0.846 0.336 1.000 0.286 CA 1.098 Z: 8 3.578 1.259 1.256 0.369 0.571 0.571 CB 0.959 Z: 6 5.184 1.384 1.155 0.679 1.000 0.800 CB 0.659 Z: 7 6.645 1.570 0.541 0.805 1.000 0.667 CB 0.860 Z: 12 3.789 1.487 0.696 0.175 0.909 0.364 CB 0.738 12 residues pruned to eliminate duplicates Z: 20 15.454 1.790 0.690 0.626 1.000 0.684 CB 1.041 22 residues pruned to eliminate duplicates Z: 6 3.589 1.327 0.656 0.653 0.800 0.800 CB 0.792 6 residues pruned to eliminate duplicates Z: 7 3.025 1.430 0.347 0.327 1.000 0.500 CB 0.775 Z: 11 5.205 1.522 0.615 0.251 0.800 0.400 CA 1.115 11 residues pruned to eliminate duplicates Z: 7 3.684 1.542 0.163 0.739 0.833 0.500 CB 0.812 16 residues pruned to eliminate duplicates Z: 7 4.012 1.247 0.791 0.497 0.833 0.500 O 0.883 Z: 7 5.155 1.621 0.336 0.502 1.000 0.500 CB 0.970 Z: 14 16.985 1.747 0.600 0.918 1.000 0.923 CB 1.189 14 residues pruned to eliminate duplicates Z: 10 8.247 1.618 0.614 0.382 0.889 0.667 CA 1.342 10 residues pruned to eliminate duplicates Z: 19 7.262 1.645 0.522 0.370 0.722 0.500 CA 1.089 12 residues pruned to eliminate duplicates Z: 8 5.173 1.426 0.188 0.640 0.857 0.429 N 1.181 8 residues pruned to eliminate duplicates Z: 10 9.340 1.831 0.881 0.895 1.000 0.556 CB 0.648 10 residues pruned to eliminate duplicates Z: 13 17.704 1.841 0.852 0.748 0.833 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 12 13.847 1.658 0.577 0.874 1.000 0.636 CB 1.162 11 residues pruned to eliminate duplicates Z: 10 15.490 1.862 0.419 0.905 1.000 1.000 CB 1.391 10 residues pruned to eliminate duplicates Z: 8 4.627 1.620 0.131 0.314 0.857 0.429 CA 1.369 7 residues pruned to eliminate duplicates Z: 8 8.301 1.677 0.298 0.870 1.000 0.857 CB 1.052 8 residues pruned to eliminate duplicates 6 1.907 1.234 0.156 0.422 0.800 0.400 CA 0.811 ? Z: 7 8.142 1.591 0.469 0.793 1.000 0.833 CB 1.099 7 residues pruned to eliminate duplicates Z: 18 24.078 1.871 1.053 0.832 0.941 0.765 CB 1.213 18 residues pruned to eliminate duplicates Z: 13 19.291 1.898 0.886 0.811 0.917 0.833 CA 1.294 12 residues pruned to eliminate duplicates Z: 7 2.615 1.543 0.483 0.270 0.500 0.500 O 1.211 7 1.321 1.080 0.315 0.428 1.000 0.333 C 0.409 ? Z: 27 15.941 1.759 0.680 0.584 0.769 0.308 CB 1.269 27 residues pruned to eliminate duplicates Z: 7 4.266 1.430 0.060 0.556 1.000 0.833 O 1.088 7 residues pruned to eliminate duplicates Z: 10 5.453 1.653 0.734 0.432 0.667 0.556 CB 1.021 14 residues pruned to eliminate duplicates Z: 13 4.007 1.593 0.497 0.210 0.750 0.333 CB 0.912 Z: 10 10.074 1.722 0.430 0.534 1.000 0.778 N 1.318 12 residues pruned to eliminate duplicates Z: 7 2.592 1.493 0.241 0.356 0.667 0.333 C 1.001 6 residues pruned to eliminate duplicates Z: 10 5.945 1.562 0.712 0.390 0.667 0.444 O 1.249 Z: 19 6.726 1.622 0.387 0.292 0.778 0.556 CB 1.144 13 residues pruned to eliminate duplicates Z: 15 16.256 1.709 0.750 0.885 0.929 0.857 CB 1.129 15 residues pruned to eliminate duplicates Z: 13 13.000 1.758 0.441 0.794 0.917 0.583 CA 1.249 13 residues pruned to eliminate duplicates Z: 6 3.789 1.374 0.295 0.582 0.800 0.400 CA 1.100 Z: 7 3.813 1.376 0.352 0.740 0.833 0.667 CB 0.810 Z: 10 3.918 1.244 0.417 0.526 1.000 0.778 CB 0.723 Z: 11 14.192 1.697 0.782 0.881 1.000 0.800 CB 1.075 11 residues pruned to eliminate duplicates Z: 19 16.925 1.692 0.707 0.882 0.889 0.722 CB 1.125 19 residues pruned to eliminate duplicates Z: 10 3.772 1.472 0.722 0.196 0.778 0.556 CB 0.917 Z: 10 6.441 1.572 0.758 0.480 0.667 0.333 CA 1.189 Z: 9 2.630 1.349 0.814 0.311 0.750 0.625 CB 0.625 Z: 10 3.966 1.439 0.957 0.335 0.667 0.333 N 0.843 Z: 16 8.542 1.492 0.588 0.487 0.800 0.533 CB 1.179 16 residues pruned to eliminate duplicates Z: 7 6.824 1.573 0.694 0.570 1.000 0.333 O 0.977 7 residues pruned to eliminate duplicates Z: 21 17.896 1.758 0.503 0.855 0.950 0.850 CA 1.176 21 residues pruned to eliminate duplicates Z: 6 2.192 1.445 0.105 0.415 0.800 0.200 CB 0.838 Z: 10 3.946 1.412 0.156 0.420 0.778 0.444 N 1.126 10 residues pruned to eliminate duplicates 8 1.594 1.225 0.051 0.214 0.714 0.571 CA 0.918 ? Z: 6 2.694 1.289 0.139 0.472 1.000 0.600 C 0.845 Z: 9 2.444 1.449 0.015 0.280 0.875 0.375 CB 0.861 8 residues pruned to eliminate duplicates Z: 20 7.696 1.629 0.432 0.362 0.789 0.526 CB 1.112 20 residues pruned to eliminate duplicates Z: 6 3.419 1.533 0.236 0.461 0.800 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 6 2.797 1.396 -0.004 0.371 1.000 0.800 CA 1.033 6 residues pruned to eliminate duplicates Z: 6 3.375 1.332 0.593 0.452 0.800 0.600 CA 0.934 Z: 7 4.257 1.562 0.094 0.434 1.000 0.500 N 1.089 Z: 7 9.060 1.522 0.678 0.660 1.000 0.833 O 1.249 7 residues pruned to eliminate duplicates Z: 8 10.572 1.610 0.961 0.624 1.000 0.857 CA 1.126 Z: 9 9.013 1.556 0.887 0.659 0.750 0.625 CB 1.249 9 residues pruned to eliminate duplicates Z: 11 8.012 1.634 0.746 0.491 0.900 0.500 CB 0.995 11 residues pruned to eliminate duplicates Z: 7 5.979 1.671 0.197 0.586 1.000 0.833 CA 1.124 7 residues pruned to eliminate duplicates Z: 9 8.440 1.460 0.885 0.847 0.875 0.375 CB 0.920 9 residues pruned to eliminate duplicates Z: 9 4.505 1.653 1.039 0.218 0.500 0.500 N 1.315 9 residues pruned to eliminate duplicates Z: 8 2.367 1.279 0.253 0.260 0.857 0.429 N 0.856 Z: 8 7.166 1.562 0.311 0.813 0.857 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 8 3.795 1.168 0.380 0.508 1.000 0.571 CB 0.884 Z: 11 8.237 1.480 0.330 0.853 1.000 0.700 CA 0.978 Z: 8 4.632 1.346 1.015 0.374 0.714 0.571 N 1.034 Z: 48 24.192 1.783 0.592 0.515 0.894 0.681 CB 1.371 51 residues pruned to eliminate duplicates Z: 17 12.215 1.641 0.664 0.603 0.875 0.688 CB 1.158 18 residues pruned to eliminate duplicates Z: 10 10.748 1.720 0.992 0.901 0.889 0.778 CB 0.840 10 residues pruned to eliminate duplicates Z: 19 21.760 1.852 0.836 0.884 0.889 0.500 CB 1.226 20 residues pruned to eliminate duplicates Z: 12 23.191 1.804 0.790 0.840 1.000 0.636 CA 1.615 12 residues pruned to eliminate duplicates Z: 7 3.379 1.350 0.603 0.337 0.833 0.333 N 0.914 Z: 10 9.224 1.518 0.745 0.508 1.000 0.889 CB 1.151 10 residues pruned to eliminate duplicates 637 residues left after pruning, divided into chains as follows: A: 7 B: 9 C: 13 D: 6 E: 17 F: 14 G: 13 H: 26 I: 6 J: 33 K: 25 L: 20 M: 11 N: 9 O: 38 P: 12 Q: 72 R: 9 S: 19 T: 12 U: 8 V: 11 W: 12 X: 17 Y: 25 Z: 25 Z: 6 Z: 11 Z: 79 Z: 22 Z: 22 Z: 16 Z: 12 CC for partial structure against native data = 31.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.643, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.771, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.790, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.808, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.815, Connect. = 0.778 for dens.mod. cycle 6 = 0.300, Contrast = 0.822, Connect. = 0.780 for dens.mod. cycle 7 = 0.300, Contrast = 0.825, Connect. = 0.782 for dens.mod. cycle 8 = 0.300, Contrast = 0.827, Connect. = 0.783 for dens.mod. cycle 9 = 0.300, Contrast = 0.827, Connect. = 0.784 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4453 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 971 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 33.966 2.222 0.976 0.815 0.895 0.737 CB 1.508 B: 15 29.192 2.188 0.971 0.868 0.929 0.643 CA 1.424 C: 14 26.779 2.325 0.396 0.876 1.000 0.923 CA 1.663 D: 15 32.141 2.319 0.677 0.880 1.000 0.786 CB 1.601 17 residues pruned to eliminate duplicates E: 12 24.930 2.300 0.484 0.922 1.000 0.909 CA 1.548 12 residues pruned to eliminate duplicates F: 27 22.925 2.073 0.719 0.476 0.885 0.654 CA 1.462 G: 14 23.981 2.171 0.377 0.897 1.000 0.923 CA 1.593 H: 14 34.779 2.292 0.903 0.918 1.000 0.923 CB 1.559 15 residues pruned to eliminate duplicates I: 40 29.174 2.145 0.970 0.505 0.846 0.410 CB 1.300 J: 23 35.191 2.068 1.134 0.801 0.955 0.636 CB 1.369 18 residues pruned to eliminate duplicates K: 14 33.647 2.413 0.815 0.922 1.000 0.923 CB 1.498 L: 14 29.510 2.297 0.959 0.861 0.846 0.615 CB 1.579 13 residues pruned to eliminate duplicates M: 13 20.375 2.236 0.344 0.922 1.000 0.833 CA 1.377 13 residues pruned to eliminate duplicates N: 15 33.087 2.174 0.900 0.894 1.000 0.857 CB 1.536 14 residues pruned to eliminate duplicates O: 15 20.430 2.190 0.529 0.790 0.857 0.786 CB 1.475 15 residues pruned to eliminate duplicates P: 20 39.601 2.278 0.718 0.861 1.000 0.579 CA 1.706 Q: 15 24.225 2.188 0.500 0.921 1.000 0.929 CA 1.388 15 residues pruned to eliminate duplicates R: 12 41.574 2.393 1.094 0.929 1.000 0.818 CA 1.751 S: 17 42.475 2.428 1.091 0.858 0.938 0.750 CB 1.643 23 residues pruned to eliminate duplicates T: 12 36.540 2.378 1.028 0.875 1.000 0.636 CA 1.661 12 residues pruned to eliminate duplicates U: 13 36.764 2.405 0.971 0.925 1.000 0.917 CB 1.571 13 residues pruned to eliminate duplicates V: 12 35.267 2.372 0.927 0.890 1.000 0.818 CA 1.673 12 residues pruned to eliminate duplicates W: 16 42.771 2.357 1.294 0.892 0.867 0.667 CA 1.694 16 residues pruned to eliminate duplicates X: 19 35.146 2.163 0.833 0.862 1.000 0.833 CA 1.534 Y: 13 24.973 2.409 0.617 0.766 0.917 0.667 CA 1.594 Z: 13 30.491 2.065 0.790 0.927 1.000 0.833 CB 1.669 Z: 15 27.624 2.175 0.650 0.889 1.000 0.929 CA 1.481 15 residues pruned to eliminate duplicates Z: 21 39.512 2.240 0.941 0.861 1.000 0.650 CA 1.493 20 residues pruned to eliminate duplicates Z: 13 23.684 2.211 0.506 0.871 1.000 0.917 CB 1.497 Z: 176 95.464 2.227 0.869 0.622 0.931 0.646 CB 1.658 123 residues pruned to eliminate duplicates Z: 11 24.448 2.327 0.788 0.913 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 14 32.414 2.301 0.742 0.889 1.000 0.769 CA 1.615 15 residues pruned to eliminate duplicates Z: 12 23.205 2.181 0.883 0.863 0.909 0.636 CB 1.374 12 residues pruned to eliminate duplicates Z: 12 34.310 2.328 0.932 0.884 1.000 0.727 CA 1.662 12 residues pruned to eliminate duplicates Z: 21 32.579 2.171 0.908 0.840 0.900 0.650 CA 1.459 21 residues pruned to eliminate duplicates Z: 21 31.124 2.160 0.567 0.846 0.950 0.550 CA 1.608 21 residues pruned to eliminate duplicates Z: 13 26.467 2.395 0.526 0.804 1.000 0.833 CA 1.604 13 residues pruned to eliminate duplicates Z: 15 31.568 2.208 0.787 0.892 1.000 0.857 CA 1.537 15 residues pruned to eliminate duplicates Z: 11 25.997 2.352 0.603 0.935 1.000 0.700 CB 1.520 19 residues pruned to eliminate duplicates Z: 14 27.224 2.294 0.526 0.895 1.000 0.846 CA 1.546 14 residues pruned to eliminate duplicates Z: 13 21.051 2.116 0.593 0.844 0.917 0.667 CA 1.463 Z: 12 32.408 2.351 0.993 0.937 1.000 1.000 CB 1.451 12 residues pruned to eliminate duplicates Z: 13 33.663 2.093 0.875 0.924 1.000 0.750 CB 1.739 13 residues pruned to eliminate duplicates Z: 23 28.608 2.221 0.850 0.537 0.909 0.591 CB 1.575 Z: 20 38.566 2.330 0.988 0.875 0.947 0.632 CA 1.467 Z: 20 37.254 2.277 0.934 0.888 0.947 0.579 CA 1.476 19 residues pruned to eliminate duplicates Z: 22 31.964 2.209 0.639 0.848 0.952 0.857 CA 1.500 22 residues pruned to eliminate duplicates Z: 14 30.933 2.059 1.199 0.916 0.923 0.923 CA 1.450 14 residues pruned to eliminate duplicates Z: 19 40.422 2.326 0.843 0.872 0.944 0.667 CA 1.716 19 residues pruned to eliminate duplicates Z: 21 37.259 2.258 0.924 0.844 0.950 0.500 CA 1.503 21 residues pruned to eliminate duplicates Z: 21 27.794 2.220 0.543 0.892 0.900 0.700 CA 1.447 21 residues pruned to eliminate duplicates Z: 66 47.586 2.220 0.661 0.534 0.969 0.692 CB 1.597 55 residues pruned to eliminate duplicates Z: 11 30.614 2.266 1.144 0.877 0.900 0.700 CB 1.608 11 residues pruned to eliminate duplicates Z: 11 31.867 2.471 0.874 0.905 0.900 0.800 CA 1.720 11 residues pruned to eliminate duplicates Z: 14 36.483 2.318 1.010 0.931 1.000 0.769 CB 1.518 15 residues pruned to eliminate duplicates Z: 14 23.185 2.266 0.299 0.930 1.000 1.000 CA 1.527 14 residues pruned to eliminate duplicates Z: 12 39.217 2.376 1.203 0.903 1.000 0.727 CA 1.609 12 residues pruned to eliminate duplicates Z: 15 31.938 2.330 0.886 0.878 0.929 0.786 CB 1.519 15 residues pruned to eliminate duplicates Z: 19 27.509 2.159 0.546 0.888 0.944 0.833 CA 1.482 Z: 12 28.625 2.186 0.926 0.874 1.000 0.909 CB 1.492 Z: 13 23.805 2.187 0.696 0.866 0.917 0.667 CB 1.479 13 residues pruned to eliminate duplicates Z: 22 34.367 2.164 0.691 0.844 0.905 0.619 CA 1.686 22 residues pruned to eliminate duplicates Z: 14 21.195 2.062 0.600 0.862 1.000 0.846 CA 1.308 14 residues pruned to eliminate duplicates Z: 17 17.605 1.939 0.501 0.796 0.938 0.750 CA 1.244 Z: 14 28.368 2.171 0.855 0.906 1.000 0.923 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 33.958 2.065 1.019 0.930 1.000 0.833 CA 1.643 13 residues pruned to eliminate duplicates Z: 19 38.148 2.345 1.219 0.778 0.833 0.500 CB 1.623 19 residues pruned to eliminate duplicates Z: 22 30.847 2.024 1.082 0.623 1.000 0.667 CA 1.423 13 residues pruned to eliminate duplicates Z: 14 21.747 2.100 0.604 0.808 0.923 0.692 CB 1.483 13 residues pruned to eliminate duplicates Z: 6 11.138 1.764 1.220 0.536 0.800 0.600 C 1.534 6 residues pruned to eliminate duplicates Z: 15 26.968 2.305 0.758 0.884 0.857 0.786 CB 1.499 15 residues pruned to eliminate duplicates Z: 21 40.434 2.236 1.110 0.853 0.950 0.550 CA 1.491 21 residues pruned to eliminate duplicates Z: 14 26.692 2.161 0.846 0.849 1.000 0.692 CB 1.376 14 residues pruned to eliminate duplicates Z: 11 22.269 2.368 0.534 0.887 0.900 0.600 CA 1.553 11 residues pruned to eliminate duplicates Z: 12 29.994 2.426 0.520 0.895 1.000 0.818 CA 1.757 11 residues pruned to eliminate duplicates Z: 12 27.088 2.454 0.774 0.777 0.909 0.455 CA 1.616 12 residues pruned to eliminate duplicates Z: 13 28.460 2.082 0.897 0.912 0.833 0.667 CB 1.768 13 residues pruned to eliminate duplicates Z: 21 25.095 2.346 0.562 0.570 0.900 0.700 CA 1.590 14 residues pruned to eliminate duplicates Z: 12 16.317 1.999 0.654 0.647 0.909 0.727 CA 1.427 12 residues pruned to eliminate duplicates Z: 13 36.245 2.217 1.140 0.879 1.000 0.833 CB 1.599 14 residues pruned to eliminate duplicates Z: 13 27.877 2.181 0.648 0.908 1.000 0.667 CB 1.590 14 residues pruned to eliminate duplicates Z: 12 29.170 2.293 0.861 0.829 1.000 0.636 CA 1.551 12 residues pruned to eliminate duplicates Z: 13 28.135 2.266 0.713 0.877 0.917 0.667 CB 1.657 13 residues pruned to eliminate duplicates Z: 12 18.022 2.222 0.448 0.883 0.909 0.909 CA 1.343 13 residues pruned to eliminate duplicates Z: 19 38.218 2.129 0.992 0.865 1.000 0.778 CA 1.556 18 residues pruned to eliminate duplicates Z: 11 32.035 2.323 0.987 0.874 0.900 0.900 CA 1.775 11 residues pruned to eliminate duplicates Z: 13 28.407 2.389 0.711 0.805 0.917 0.750 CA 1.677 21 residues pruned to eliminate duplicates Z: 13 19.269 2.035 0.379 0.923 1.000 1.000 CA 1.393 13 residues pruned to eliminate duplicates Z: 13 27.729 2.126 0.531 0.906 1.000 0.917 CB 1.750 13 residues pruned to eliminate duplicates Z: 14 18.078 2.117 0.512 0.792 0.923 0.769 CB 1.314 14 residues pruned to eliminate duplicates Z: 8 7.511 1.857 0.524 0.587 0.714 0.571 CB 1.291 Z: 14 26.338 2.204 0.704 0.827 0.923 0.846 CB 1.587 14 residues pruned to eliminate duplicates Z: 14 25.457 2.328 0.512 0.852 0.923 0.846 CA 1.607 14 residues pruned to eliminate duplicates Z: 20 36.939 2.084 0.949 0.887 0.947 0.632 CB 1.587 19 residues pruned to eliminate duplicates Z: 15 23.411 2.088 0.515 0.829 0.929 0.786 CB 1.602 15 residues pruned to eliminate duplicates Z: 14 34.102 2.210 1.147 0.770 1.000 0.692 CA 1.570 14 residues pruned to eliminate duplicates Z: 9 12.021 1.819 0.394 0.820 1.000 0.750 CB 1.270 Z: 21 34.241 2.203 0.798 0.864 0.950 0.700 CA 1.492 Z: 12 25.275 2.143 0.910 0.829 0.909 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 11 28.180 2.353 0.843 0.864 1.000 0.700 CA 1.507 11 residues pruned to eliminate duplicates Z: 13 25.364 2.170 0.767 0.827 1.000 0.750 CA 1.439 13 residues pruned to eliminate duplicates Z: 13 25.776 2.109 0.778 0.898 1.000 0.917 CA 1.419 13 residues pruned to eliminate duplicates Z: 18 22.781 1.987 0.415 0.840 1.000 0.882 CA 1.466 18 residues pruned to eliminate duplicates Z: 10 16.573 1.966 0.450 0.850 1.000 0.778 CB 1.436 Z: 18 40.077 2.286 0.914 0.866 0.941 0.765 CB 1.728 20 residues pruned to eliminate duplicates Z: 14 40.346 2.337 1.287 0.861 1.000 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 20 29.051 2.127 0.552 0.864 0.947 0.842 CA 1.562 20 residues pruned to eliminate duplicates Z: 12 20.437 2.033 0.694 0.880 0.909 0.636 CB 1.427 12 residues pruned to eliminate duplicates Z: 12 24.533 2.246 0.695 0.914 1.000 0.818 CA 1.374 12 residues pruned to eliminate duplicates Z: 11 38.187 2.491 1.096 0.901 0.900 0.500 CA 1.835 11 residues pruned to eliminate duplicates Z: 24 29.489 2.210 0.900 0.568 0.826 0.522 CB 1.660 24 residues pruned to eliminate duplicates Z: 13 50.296 2.510 1.304 0.910 1.000 0.833 CB 1.781 13 residues pruned to eliminate duplicates Z: 20 28.011 2.095 0.464 0.876 0.947 0.526 CB 1.607 20 residues pruned to eliminate duplicates Z: 9 16.833 2.037 0.413 0.874 1.000 0.750 CB 1.505 7 residues pruned to eliminate duplicates Z: 15 39.818 2.352 0.961 0.916 1.000 1.000 CA 1.630 15 residues pruned to eliminate duplicates Z: 51 47.090 2.309 0.674 0.562 0.960 0.740 CB 1.690 51 residues pruned to eliminate duplicates Z: 12 26.067 2.073 0.986 0.874 0.909 0.909 CB 1.529 12 residues pruned to eliminate duplicates Z: 10 25.606 2.354 1.053 0.860 1.000 0.667 CB 1.298 10 residues pruned to eliminate duplicates Z: 20 34.521 2.206 1.161 0.779 0.895 0.474 CB 1.452 17 residues pruned to eliminate duplicates Z: 11 13.613 1.931 0.265 0.899 1.000 0.800 CB 1.260 Z: 13 15.704 1.925 0.512 0.845 1.000 0.917 CB 1.158 Z: 13 47.273 2.438 1.280 0.899 1.000 0.833 CB 1.755 13 residues pruned to eliminate duplicates Z: 21 44.731 2.214 1.063 0.874 0.950 0.650 CA 1.677 21 residues pruned to eliminate duplicates Z: 12 17.543 2.276 0.383 0.873 1.000 0.909 CA 1.224 12 residues pruned to eliminate duplicates Z: 12 37.225 2.515 0.834 0.887 1.000 1.000 CA 1.755 12 residues pruned to eliminate duplicates Z: 13 24.657 2.312 0.569 0.898 0.917 0.833 CA 1.531 13 residues pruned to eliminate duplicates Z: 12 9.229 1.782 0.178 0.811 0.818 0.818 CB 1.237 11 residues pruned to eliminate duplicates Z: 12 19.487 2.148 1.193 0.906 0.818 0.545 CB 1.084 12 residues pruned to eliminate duplicates Z: 19 44.134 2.235 0.929 0.905 1.000 0.667 CA 1.718 18 residues pruned to eliminate duplicates Z: 14 34.997 2.224 0.999 0.849 1.000 0.769 CB 1.619 14 residues pruned to eliminate duplicates Z: 13 34.647 2.257 0.981 0.878 1.000 0.833 CA 1.624 13 residues pruned to eliminate duplicates Z: 14 14.282 1.867 0.456 0.830 0.923 0.615 CB 1.187 14 residues pruned to eliminate duplicates Z: 14 35.262 2.275 0.849 0.928 1.000 0.769 CB 1.628 14 residues pruned to eliminate duplicates Z: 12 36.522 2.128 1.086 0.911 1.000 0.818 CA 1.758 12 residues pruned to eliminate duplicates Z: 9 11.898 2.140 0.497 0.810 0.875 0.625 CA 1.145 10 residues pruned to eliminate duplicates Z: 14 18.735 2.015 0.291 0.884 1.000 0.769 CA 1.443 14 residues pruned to eliminate duplicates Z: 12 16.859 1.897 0.288 0.884 1.000 0.909 CA 1.503 Z: 15 23.609 1.977 0.650 0.905 0.929 0.714 CB 1.483 Z: 12 36.336 2.447 0.860 0.853 1.000 0.909 CB 1.780 12 residues pruned to eliminate duplicates Z: 12 23.780 2.229 0.508 0.892 1.000 0.818 CB 1.532 12 residues pruned to eliminate duplicates Z: 13 26.158 2.067 0.657 0.913 1.000 0.833 CA 1.560 13 residues pruned to eliminate duplicates Z: 14 18.676 2.106 0.212 0.851 1.000 0.846 CB 1.502 14 residues pruned to eliminate duplicates Z: 19 33.579 2.107 0.831 0.842 0.944 0.611 CB 1.619 19 residues pruned to eliminate duplicates Z: 21 30.470 2.194 0.611 0.881 0.950 0.800 CA 1.470 21 residues pruned to eliminate duplicates Z: 21 40.992 2.243 0.962 0.853 1.000 0.800 CA 1.539 21 residues pruned to eliminate duplicates Z: 102 65.653 2.231 0.879 0.628 0.901 0.574 CB 1.533 77 residues pruned to eliminate duplicates Z: 12 22.055 2.241 0.728 0.912 1.000 0.818 CA 1.216 12 residues pruned to eliminate duplicates Z: 12 25.950 2.225 0.635 0.879 1.000 0.909 CB 1.560 11 residues pruned to eliminate duplicates Z: 67 47.531 2.237 0.742 0.513 0.909 0.652 CB 1.629 67 residues pruned to eliminate duplicates Z: 7 10.647 2.066 0.563 0.546 1.000 1.000 CB 1.288 8 residues pruned to eliminate duplicates Z: 11 23.386 2.084 0.509 0.926 1.000 0.800 CA 1.650 12 residues pruned to eliminate duplicates Z: 13 24.482 2.200 0.562 0.884 1.000 1.000 CA 1.486 13 residues pruned to eliminate duplicates Z: 10 8.060 1.742 1.190 0.491 0.778 0.667 CA 0.914 Z: 13 35.197 2.324 0.958 0.849 1.000 0.833 CB 1.655 13 residues pruned to eliminate duplicates Z: 21 30.437 2.239 0.678 0.890 0.900 0.800 CA 1.448 21 residues pruned to eliminate duplicates Z: 9 9.072 1.983 0.560 0.627 0.625 0.625 CA 1.471 9 residues pruned to eliminate duplicates Z: 14 40.173 2.327 1.319 0.881 0.923 0.615 CB 1.620 14 residues pruned to eliminate duplicates Z: 19 22.038 2.013 0.569 0.888 0.944 0.778 CA 1.255 19 residues pruned to eliminate duplicates Z: 14 14.899 2.069 0.692 0.329 0.923 0.615 CB 1.544 5 residues pruned to eliminate duplicates Z: 14 27.373 2.217 0.758 0.807 0.923 0.846 CB 1.615 14 residues pruned to eliminate duplicates Z: 12 14.606 1.963 0.411 0.873 0.909 0.636 CB 1.274 12 residues pruned to eliminate duplicates Z: 15 28.791 2.144 1.034 0.802 0.929 0.571 CB 1.459 15 residues pruned to eliminate duplicates Z: 12 27.776 2.304 0.733 0.869 1.000 0.818 CA 1.532 12 residues pruned to eliminate duplicates Z: 19 37.636 2.228 0.921 0.841 0.889 0.556 CB 1.740 19 residues pruned to eliminate duplicates Z: 13 19.489 2.047 0.500 0.889 0.917 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 14 40.781 2.378 1.328 0.891 1.000 0.769 CB 1.468 14 residues pruned to eliminate duplicates Z: 13 17.109 1.918 0.739 0.702 0.917 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 11 14.600 1.783 0.640 0.883 1.000 0.900 CB 1.141 Z: 10 22.338 2.149 0.983 0.834 0.889 0.333 CB 1.473 10 residues pruned to eliminate duplicates Z: 6 11.322 1.871 0.335 0.862 1.000 1.000 CA 1.489 6 residues pruned to eliminate duplicates Z: 19 19.844 2.137 0.249 0.799 0.889 0.778 CA 1.519 19 residues pruned to eliminate duplicates Z: 18 24.935 1.942 0.797 0.867 1.000 0.471 CB 1.267 15 residues pruned to eliminate duplicates Z: 17 12.775 1.813 0.418 0.807 0.812 0.438 CB 1.170 Z: 17 19.933 2.140 0.909 0.507 0.812 0.500 CA 1.491 17 residues pruned to eliminate duplicates Z: 6 3.450 1.748 0.181 0.478 0.600 0.600 CB 1.273 Z: 12 20.099 2.136 0.568 0.854 0.909 0.545 CB 1.469 12 residues pruned to eliminate duplicates Z: 10 16.667 1.922 0.407 0.840 1.000 0.778 CB 1.533 10 residues pruned to eliminate duplicates Z: 21 43.284 2.160 1.020 0.867 1.000 0.750 CA 1.623 21 residues pruned to eliminate duplicates Z: 11 28.012 2.312 1.022 0.823 0.900 0.700 CB 1.592 11 residues pruned to eliminate duplicates Z: 10 24.541 2.156 0.840 0.893 0.889 0.667 CA 1.666 10 residues pruned to eliminate duplicates Z: 18 29.838 2.173 0.873 0.899 0.941 0.882 CA 1.351 18 residues pruned to eliminate duplicates Z: 37 30.017 2.201 0.955 0.506 0.861 0.444 CB 1.342 37 residues pruned to eliminate duplicates Z: 11 20.272 2.199 0.481 0.910 1.000 0.900 CA 1.396 11 residues pruned to eliminate duplicates Z: 10 12.843 1.829 0.471 0.877 1.000 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 20 33.915 2.126 0.720 0.871 0.947 0.632 CA 1.639 20 residues pruned to eliminate duplicates Z: 16 23.677 1.958 0.801 0.878 0.867 0.800 CB 1.452 16 residues pruned to eliminate duplicates Z: 16 16.938 1.784 0.537 0.930 1.000 0.867 CB 1.116 17 residues pruned to eliminate duplicates Z: 20 33.796 2.252 0.705 0.893 0.947 0.684 CA 1.531 20 residues pruned to eliminate duplicates Z: 16 22.600 1.898 0.625 0.883 0.933 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 20 39.046 2.229 1.013 0.866 0.947 0.579 CA 1.543 20 residues pruned to eliminate duplicates Z: 20 34.344 2.266 0.800 0.827 0.895 0.263 CA 1.627 20 residues pruned to eliminate duplicates Z: 21 19.614 2.101 0.603 0.470 0.850 0.550 CA 1.580 21 residues pruned to eliminate duplicates Z: 13 25.028 2.089 0.713 0.888 1.000 0.750 CB 1.455 13 residues pruned to eliminate duplicates Z: 15 15.557 1.854 0.685 0.447 0.929 0.571 CA 1.514 15 residues pruned to eliminate duplicates Z: 11 29.088 2.475 0.828 0.794 0.900 0.700 CA 1.745 11 residues pruned to eliminate duplicates Z: 13 35.870 2.337 0.875 0.916 1.000 0.667 CB 1.670 13 residues pruned to eliminate duplicates Z: 20 34.130 2.135 0.735 0.873 1.000 0.684 CA 1.540 19 residues pruned to eliminate duplicates Z: 15 21.186 2.000 0.612 0.775 0.929 0.857 CB 1.483 15 residues pruned to eliminate duplicates Z: 11 22.205 2.028 0.883 0.907 0.900 0.700 CA 1.453 9 residues pruned to eliminate duplicates Z: 8 19.553 2.071 0.626 0.873 1.000 0.714 CB 1.599 8 residues pruned to eliminate duplicates Z: 21 30.971 2.214 0.506 0.866 0.950 0.900 CA 1.601 21 residues pruned to eliminate duplicates Z: 20 38.779 2.230 0.864 0.865 0.947 0.316 CA 1.655 20 residues pruned to eliminate duplicates Z: 17 33.778 2.292 0.637 0.888 1.000 0.875 CA 1.621 17 residues pruned to eliminate duplicates Z: 19 27.073 2.236 0.593 0.881 0.889 0.889 CA 1.460 19 residues pruned to eliminate duplicates Z: 22 33.842 2.150 0.712 0.814 0.952 0.714 CA 1.603 22 residues pruned to eliminate duplicates Z: 8 8.543 1.841 0.188 0.672 0.857 0.571 CA 1.470 8 residues pruned to eliminate duplicates Z: 18 50.351 2.322 1.341 0.889 1.000 0.588 CB 1.617 18 residues pruned to eliminate duplicates Z: 8 6.493 1.884 0.250 0.451 0.714 0.571 N 1.534 Z: 21 30.582 2.064 0.709 0.900 0.900 0.800 CA 1.539 21 residues pruned to eliminate duplicates Z: 18 25.532 2.151 0.690 0.784 1.000 0.706 CA 1.327 18 residues pruned to eliminate duplicates Z: 20 35.333 2.105 0.770 0.893 0.947 0.632 CB 1.648 20 residues pruned to eliminate duplicates Z: 88 40.770 2.140 0.718 0.469 0.862 0.448 CB 1.423 88 residues pruned to eliminate duplicates Z: 13 37.530 2.361 1.090 0.903 0.917 0.750 CB 1.707 13 residues pruned to eliminate duplicates Z: 17 21.633 1.920 0.688 0.851 0.938 0.812 CB 1.317 17 residues pruned to eliminate duplicates Z: 10 14.201 1.836 0.622 0.906 1.000 0.778 CB 1.130 11 residues pruned to eliminate duplicates Z: 14 38.051 2.329 0.904 0.933 1.000 0.923 CA 1.661 14 residues pruned to eliminate duplicates Z: 12 21.940 2.024 0.803 0.845 1.000 0.727 CB 1.348 12 residues pruned to eliminate duplicates Z: 13 28.119 2.032 0.987 0.853 1.000 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 12 22.788 2.166 0.839 0.867 0.909 0.545 CB 1.388 12 residues pruned to eliminate duplicates Z: 46 41.851 2.212 0.715 0.537 0.956 0.689 CB 1.660 46 residues pruned to eliminate duplicates Z: 35 20.985 1.999 0.703 0.405 0.853 0.529 CA 1.369 12 residues pruned to eliminate duplicates Z: 16 35.208 2.264 0.908 0.919 0.933 0.600 CB 1.590 16 residues pruned to eliminate duplicates Z: 7 8.855 1.941 0.250 0.839 0.833 0.500 CA 1.336 Z: 43 43.251 2.316 0.627 0.603 0.952 0.690 CB 1.686 43 residues pruned to eliminate duplicates Z: 13 24.437 2.151 0.750 0.856 1.000 0.917 CA 1.383 13 residues pruned to eliminate duplicates Z: 14 27.740 2.227 0.747 0.917 0.923 0.846 CB 1.512 14 residues pruned to eliminate duplicates Z: 15 37.647 2.173 1.163 0.887 1.000 0.786 CB 1.543 15 residues pruned to eliminate duplicates Z: 15 40.586 2.232 1.232 0.924 1.000 0.786 CB 1.529 15 residues pruned to eliminate duplicates Z: 11 28.025 2.362 0.891 0.904 1.000 0.500 CB 1.413 11 residues pruned to eliminate duplicates Z: 18 26.796 2.282 0.450 0.881 0.941 0.765 CA 1.512 18 residues pruned to eliminate duplicates Z: 39 28.596 2.191 0.735 0.647 0.868 0.526 CB 1.224 42 residues pruned to eliminate duplicates Z: 21 28.313 2.243 0.505 0.861 0.900 0.800 CA 1.531 21 residues pruned to eliminate duplicates Z: 16 23.709 1.899 0.682 0.911 1.000 0.800 CA 1.359 16 residues pruned to eliminate duplicates Z: 14 24.276 2.037 0.989 0.841 1.000 0.769 CA 1.239 13 residues pruned to eliminate duplicates Z: 11 15.753 1.951 0.344 0.894 1.000 0.800 CA 1.363 11 residues pruned to eliminate duplicates Z: 13 30.080 2.071 0.972 0.896 1.000 0.667 CA 1.523 13 residues pruned to eliminate duplicates Z: 18 26.088 1.957 0.906 0.777 0.941 0.588 CB 1.411 18 residues pruned to eliminate duplicates Z: 17 32.157 2.235 0.941 0.844 1.000 0.625 CA 1.379 17 residues pruned to eliminate duplicates Z: 16 26.615 2.061 1.052 0.780 0.867 0.667 CB 1.464 16 residues pruned to eliminate duplicates Z: 123 57.935 2.164 0.777 0.587 0.885 0.541 CB 1.417 105 residues pruned to eliminate duplicates Z: 15 17.066 1.808 0.647 0.899 1.000 0.714 CB 1.095 15 residues pruned to eliminate duplicates Z: 13 14.757 1.795 0.876 0.744 0.750 0.500 CA 1.356 13 residues pruned to eliminate duplicates Z: 12 28.457 1.976 1.005 0.870 1.000 0.727 CB 1.581 12 residues pruned to eliminate duplicates Z: 6 6.305 2.215 0.142 0.500 0.800 0.400 CB 1.394 6 residues pruned to eliminate duplicates Z: 12 24.537 2.036 0.640 0.900 1.000 0.909 CB 1.583 12 residues pruned to eliminate duplicates Z: 14 23.156 2.082 1.115 0.826 0.846 0.692 CB 1.300 14 residues pruned to eliminate duplicates Z: 17 26.623 2.098 0.677 0.861 0.938 0.812 CA 1.484 17 residues pruned to eliminate duplicates Z: 11 14.240 1.954 0.387 0.897 0.900 0.900 CA 1.321 11 residues pruned to eliminate duplicates Z: 19 24.451 2.113 0.286 0.877 1.000 0.889 CA 1.540 19 residues pruned to eliminate duplicates Z: 21 30.039 2.256 0.755 0.828 0.850 0.750 CA 1.503 21 residues pruned to eliminate duplicates Z: 7 8.178 1.634 0.554 0.518 1.000 0.667 N 1.292 Z: 14 34.433 2.301 1.105 0.909 0.923 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 22 32.617 2.131 0.673 0.861 0.952 0.619 CB 1.540 22 residues pruned to eliminate duplicates Z: 12 15.615 1.750 0.593 0.822 1.000 0.636 CB 1.278 Z: 8 10.008 1.684 0.824 0.624 0.857 0.571 CA 1.278 8 residues pruned to eliminate duplicates Z: 13 30.089 2.095 1.141 0.874 1.000 0.917 CA 1.409 17 residues pruned to eliminate duplicates Z: 27 19.922 1.943 0.566 0.578 0.808 0.577 CB 1.475 19 residues pruned to eliminate duplicates Z: 11 12.030 1.810 0.479 0.871 1.000 1.000 CB 1.037 11 residues pruned to eliminate duplicates Z: 17 32.863 2.191 0.896 0.928 0.938 0.500 CB 1.478 17 residues pruned to eliminate duplicates Z: 21 39.511 2.248 0.964 0.878 0.950 0.550 CA 1.528 21 residues pruned to eliminate duplicates Z: 10 17.078 1.936 0.613 0.853 1.000 0.778 CB 1.347 9 residues pruned to eliminate duplicates Z: 16 24.483 2.086 0.675 0.852 0.933 0.800 CA 1.433 16 residues pruned to eliminate duplicates Z: 17 23.745 1.968 0.640 0.860 0.938 0.812 CB 1.442 18 residues pruned to eliminate duplicates Z: 54 39.470 2.190 0.752 0.490 0.887 0.566 CB 1.610 55 residues pruned to eliminate duplicates Z: 25 38.871 2.171 0.949 0.705 0.958 0.667 CA 1.623 25 residues pruned to eliminate duplicates Z: 12 16.332 1.876 0.405 0.896 1.000 0.727 CB 1.339 11 residues pruned to eliminate duplicates Z: 26 29.132 2.245 0.721 0.472 0.960 0.560 CA 1.616 26 residues pruned to eliminate duplicates Z: 17 45.614 2.290 1.225 0.949 0.938 0.625 CB 1.648 17 residues pruned to eliminate duplicates Z: 14 10.636 2.075 0.563 0.283 0.769 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 9 14.624 2.025 0.236 0.849 1.000 0.750 CB 1.531 9 residues pruned to eliminate duplicates Z: 12 22.474 2.011 0.910 0.851 1.000 0.727 CB 1.306 12 residues pruned to eliminate duplicates Z: 22 23.825 2.226 0.634 0.670 0.905 0.619 CB 1.350 22 residues pruned to eliminate duplicates Z: 13 23.293 1.897 1.120 0.836 0.917 0.750 CA 1.365 13 residues pruned to eliminate duplicates Z: 58 35.439 2.143 0.788 0.557 0.860 0.579 CB 1.348 57 residues pruned to eliminate duplicates Z: 15 20.736 1.953 0.678 0.787 0.929 0.714 CA 1.414 15 residues pruned to eliminate duplicates Z: 20 35.622 2.255 0.658 0.853 1.000 0.579 CA 1.615 20 residues pruned to eliminate duplicates Z: 7 7.608 1.621 0.840 0.547 0.833 0.667 CB 1.193 7 residues pruned to eliminate duplicates Z: 14 22.212 2.246 0.535 0.892 0.923 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 7 5.142 1.631 0.170 0.811 0.833 0.500 N 1.008 7 residues pruned to eliminate duplicates Z: 12 32.795 2.373 1.058 0.854 1.000 0.364 CB 1.496 12 residues pruned to eliminate duplicates Z: 13 24.628 1.790 0.903 0.906 1.000 0.667 CA 1.484 13 residues pruned to eliminate duplicates Z: 14 40.078 2.275 1.097 0.940 1.000 0.769 CA 1.618 14 residues pruned to eliminate duplicates Z: 35 26.968 2.046 0.899 0.529 0.824 0.412 CB 1.405 35 residues pruned to eliminate duplicates Z: 17 21.898 1.911 0.563 0.894 0.938 0.750 CB 1.403 17 residues pruned to eliminate duplicates Z: 9 18.077 2.033 0.757 0.914 0.875 0.500 CB 1.446 9 residues pruned to eliminate duplicates Z: 21 23.704 2.196 0.198 0.896 1.000 0.900 CA 1.443 21 residues pruned to eliminate duplicates Z: 48 41.968 2.187 0.824 0.643 0.851 0.617 CA 1.577 38 residues pruned to eliminate duplicates Z: 11 31.991 2.304 0.898 0.890 1.000 0.400 CA 1.665 11 residues pruned to eliminate duplicates Z: 22 27.676 2.160 0.415 0.856 1.000 0.762 CA 1.457 22 residues pruned to eliminate duplicates Z: 19 32.812 2.109 0.959 0.863 0.944 0.556 CB 1.454 19 residues pruned to eliminate duplicates Z: 73 62.456 2.183 0.965 0.704 0.903 0.611 CA 1.579 58 residues pruned to eliminate duplicates Z: 9 6.738 1.605 0.604 0.377 0.875 0.500 CB 1.207 Z: 8 9.021 1.577 0.546 0.652 1.000 0.714 CB 1.214 8 residues pruned to eliminate duplicates Z: 11 21.714 2.028 0.598 0.906 0.900 0.700 CA 1.675 11 residues pruned to eliminate duplicates Z: 9 15.637 1.867 0.721 0.911 1.000 1.000 CB 1.220 9 residues pruned to eliminate duplicates Z: 13 27.215 2.400 0.670 0.862 1.000 0.750 CA 1.439 13 residues pruned to eliminate duplicates Z: 21 29.129 2.166 0.959 0.637 0.850 0.600 CA 1.589 21 residues pruned to eliminate duplicates Z: 18 13.097 1.896 0.662 0.384 0.765 0.353 CB 1.491 18 residues pruned to eliminate duplicates Z: 26 26.887 2.225 0.778 0.501 0.880 0.640 CA 1.544 26 residues pruned to eliminate duplicates Z: 43 43.207 2.272 0.825 0.596 0.881 0.619 CA 1.666 43 residues pruned to eliminate duplicates Z: 8 6.239 1.802 0.370 0.322 0.857 0.429 CB 1.355 5 residues pruned to eliminate duplicates Z: 13 29.422 2.219 0.892 0.848 1.000 0.667 CA 1.500 13 residues pruned to eliminate duplicates Z: 74 68.215 2.231 0.913 0.684 0.904 0.671 CA 1.748 68 residues pruned to eliminate duplicates Z: 19 22.498 2.257 0.669 0.593 0.833 0.667 CB 1.546 19 residues pruned to eliminate duplicates Z: 93 69.282 2.246 0.948 0.641 0.880 0.543 CB 1.643 93 residues pruned to eliminate duplicates Z: 19 32.149 2.159 0.777 0.804 1.000 0.778 CA 1.515 19 residues pruned to eliminate duplicates Z: 19 7.173 1.657 0.556 0.242 0.833 0.444 CB 1.060 19 residues pruned to eliminate duplicates Z: 16 29.379 2.221 0.704 0.932 0.867 0.600 CB 1.615 16 residues pruned to eliminate duplicates Z: 38 23.285 2.072 0.661 0.506 0.784 0.459 CB 1.412 38 residues pruned to eliminate duplicates Z: 14 26.668 2.098 0.792 0.893 0.923 0.538 CB 1.531 14 residues pruned to eliminate duplicates Z: 11 10.678 1.734 0.640 0.866 0.900 0.900 CB 0.966 11 residues pruned to eliminate duplicates Z: 10 15.935 2.023 0.331 0.926 1.000 0.889 CB 1.383 11 residues pruned to eliminate duplicates Z: 16 23.925 1.983 0.467 0.922 1.000 0.933 CB 1.494 16 residues pruned to eliminate duplicates Z: 14 29.918 2.240 0.854 0.774 1.000 0.692 CA 1.569 14 residues pruned to eliminate duplicates Z: 19 36.492 2.113 1.011 0.878 1.000 0.667 CB 1.469 19 residues pruned to eliminate duplicates Z: 22 28.081 2.107 0.714 0.807 0.857 0.571 CB 1.515 22 residues pruned to eliminate duplicates Z: 13 30.114 2.284 0.712 0.872 1.000 1.000 CA 1.620 13 residues pruned to eliminate duplicates Z: 58 40.340 2.156 0.818 0.549 0.842 0.596 CB 1.543 58 residues pruned to eliminate duplicates Z: 6 5.017 1.761 0.200 0.730 0.800 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 22 33.162 2.158 0.872 0.859 0.857 0.619 CA 1.537 22 residues pruned to eliminate duplicates Z: 127 80.543 2.238 0.906 0.659 0.913 0.611 CB 1.591 133 residues pruned to eliminate duplicates Z: 11 29.572 2.397 0.755 0.914 1.000 0.600 CA 1.572 11 residues pruned to eliminate duplicates Z: 13 20.626 1.986 0.792 0.882 1.000 0.667 CB 1.210 13 residues pruned to eliminate duplicates Z: 6 8.907 1.769 0.476 0.772 1.000 0.800 CB 1.200 Z: 16 6.544 1.780 0.548 0.372 0.733 0.600 CB 0.960 16 residues pruned to eliminate duplicates Z: 6 7.523 1.799 0.028 0.868 1.000 0.800 CB 1.329 6 residues pruned to eliminate duplicates Z: 6 7.547 2.102 0.045 0.787 0.800 0.600 CB 1.492 6 residues pruned to eliminate duplicates Z: 15 17.740 1.871 0.474 0.932 1.000 0.857 CB 1.200 15 residues pruned to eliminate duplicates Z: 80 61.640 2.217 0.868 0.631 0.937 0.544 CB 1.582 80 residues pruned to eliminate duplicates Z: 8 10.140 1.994 0.697 0.492 0.857 0.714 CB 1.332 8 residues pruned to eliminate duplicates Z: 8 9.081 1.884 0.725 0.517 0.857 0.571 CB 1.212 10 residues pruned to eliminate duplicates Z: 49 51.271 2.278 0.732 0.705 0.958 0.729 CB 1.625 49 residues pruned to eliminate duplicates Z: 12 27.860 2.213 0.682 0.902 1.000 1.000 CB 1.609 12 residues pruned to eliminate duplicates Z: 11 17.094 1.974 0.444 0.877 1.000 0.900 CB 1.377 11 residues pruned to eliminate duplicates Z: 12 21.104 1.891 0.518 0.916 1.000 0.727 CA 1.566 11 residues pruned to eliminate duplicates Z: 51 26.561 1.987 0.618 0.409 0.900 0.620 CB 1.428 51 residues pruned to eliminate duplicates Z: 16 24.660 2.230 0.739 0.837 0.733 0.267 CB 1.675 16 residues pruned to eliminate duplicates Z: 9 9.132 1.613 0.560 0.731 1.000 0.625 CB 1.042 9 residues pruned to eliminate duplicates Z: 8 8.861 1.893 0.752 0.468 0.714 0.714 CB 1.460 Z: 13 33.871 2.377 0.998 0.857 1.000 0.917 CB 1.517 13 residues pruned to eliminate duplicates Z: 7 4.813 1.646 0.147 0.454 1.000 0.500 CB 1.091 Z: 16 21.081 2.153 0.505 0.587 0.933 0.800 CA 1.655 16 residues pruned to eliminate duplicates Z: 12 25.635 2.038 0.924 0.837 1.000 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 109 75.138 2.210 0.889 0.661 0.926 0.583 CB 1.611 109 residues pruned to eliminate duplicates Z: 8 5.008 1.870 0.167 0.421 0.714 0.429 CB 1.318 8 residues pruned to eliminate duplicates Z: 6 10.848 2.253 0.049 0.891 1.000 1.000 CA 1.477 6 residues pruned to eliminate duplicates Z: 13 18.805 1.777 0.661 0.891 1.000 0.750 CA 1.323 13 residues pruned to eliminate duplicates Z: 17 35.275 2.287 0.607 0.877 1.000 0.750 CA 1.742 17 residues pruned to eliminate duplicates Z: 14 25.777 2.048 1.131 0.832 0.923 0.462 CB 1.332 13 residues pruned to eliminate duplicates Z: 14 40.332 2.327 1.082 0.911 1.000 0.846 CA 1.637 14 residues pruned to eliminate duplicates Z: 6 2.780 1.479 0.046 0.545 1.000 0.600 CB 0.769 6 residues pruned to eliminate duplicates Z: 88 62.560 2.195 0.842 0.695 0.920 0.667 CB 1.510 88 residues pruned to eliminate duplicates Z: 89 67.400 2.207 0.920 0.662 0.898 0.625 CB 1.626 89 residues pruned to eliminate duplicates Z: 7 8.570 1.755 0.687 0.609 1.000 0.333 CB 1.065 7 residues pruned to eliminate duplicates Z: 7 11.704 1.825 1.209 0.810 0.667 0.667 CA 1.357 7 residues pruned to eliminate duplicates Z: 30 16.832 1.741 0.565 0.665 0.931 0.517 CB 1.057 20 residues pruned to eliminate duplicates Z: 56 43.056 2.187 0.939 0.566 0.836 0.527 CB 1.536 56 residues pruned to eliminate duplicates Z: 16 16.150 1.999 0.980 0.747 0.867 0.533 CB 0.975 16 residues pruned to eliminate duplicates Z: 15 21.942 2.076 0.789 0.802 0.929 0.714 CB 1.306 15 residues pruned to eliminate duplicates Z: 8 13.885 2.018 0.422 0.863 1.000 0.714 CB 1.342 8 residues pruned to eliminate duplicates Z: 21 30.358 2.214 0.685 0.848 0.950 0.500 CA 1.421 21 residues pruned to eliminate duplicates Z: 6 10.880 2.130 0.354 0.562 1.000 0.600 CB 1.588 6 residues pruned to eliminate duplicates Z: 15 26.309 2.144 0.962 0.798 0.929 0.286 CB 1.387 15 residues pruned to eliminate duplicates Z: 16 24.093 1.947 0.676 0.899 1.000 0.733 CA 1.363 16 residues pruned to eliminate duplicates Z: 12 26.720 2.110 0.579 0.924 1.000 1.000 CA 1.698 12 residues pruned to eliminate duplicates Z: 7 9.376 1.850 0.607 0.513 0.833 0.667 CB 1.526 Z: 20 35.473 2.231 0.791 0.856 0.947 0.474 CA 1.586 20 residues pruned to eliminate duplicates Z: 17 10.648 1.838 0.578 0.410 0.875 0.500 CB 1.152 17 residues pruned to eliminate duplicates Z: 6 13.906 1.932 1.135 0.815 1.000 1.000 CB 1.147 Z: 11 12.522 1.770 0.490 0.717 0.900 0.500 N 1.371 11 residues pruned to eliminate duplicates Z: 61 59.432 2.231 0.872 0.727 0.933 0.583 CB 1.605 61 residues pruned to eliminate duplicates Z: 19 31.500 2.120 0.886 0.857 0.944 0.667 CB 1.449 19 residues pruned to eliminate duplicates Z: 7 3.568 1.714 0.136 0.545 0.667 0.667 CB 1.074 Z: 18 9.369 1.913 0.551 0.325 0.765 0.353 CB 1.214 18 residues pruned to eliminate duplicates 6 1.332 1.461 0.647 0.379 0.600 0.600 CB 0.470 ? Z: 35 20.388 2.076 0.676 0.484 0.824 0.412 CB 1.240 35 residues pruned to eliminate duplicates Z: 25 22.224 2.105 0.746 0.364 0.917 0.458 CB 1.559 25 residues pruned to eliminate duplicates Z: 12 28.844 2.172 0.991 0.840 0.909 0.818 CB 1.650 12 residues pruned to eliminate duplicates Z: 10 24.897 2.084 0.666 0.902 1.000 0.556 CB 1.705 10 residues pruned to eliminate duplicates Z: 14 44.003 2.347 1.192 0.944 1.000 0.923 CA 1.643 14 residues pruned to eliminate duplicates Z: 14 34.213 2.201 1.170 0.902 1.000 0.615 CA 1.417 14 residues pruned to eliminate duplicates Z: 11 13.861 1.803 0.512 0.848 0.900 0.500 CA 1.325 11 residues pruned to eliminate duplicates Z: 52 24.177 1.897 0.607 0.567 0.824 0.608 CB 1.264 38 residues pruned to eliminate duplicates Z: 21 32.804 2.263 0.644 0.877 0.950 0.700 CA 1.508 21 residues pruned to eliminate duplicates Z: 6 3.450 1.740 0.103 0.297 0.800 0.600 CA 1.261 Z: 6 4.290 1.745 0.711 0.505 0.800 0.400 CB 0.799 Z: 43 24.752 1.926 0.559 0.563 0.905 0.524 CB 1.323 43 residues pruned to eliminate duplicates Z: 17 16.602 1.867 0.872 0.717 0.875 0.375 CB 1.115 17 residues pruned to eliminate duplicates Z: 17 9.286 1.946 0.401 0.424 0.750 0.500 CB 1.229 17 residues pruned to eliminate duplicates Z: 6 10.380 1.947 0.534 0.690 1.000 0.800 CA 1.306 6 residues pruned to eliminate duplicates Z: 54 57.706 2.223 0.796 0.692 0.943 0.660 CA 1.766 54 residues pruned to eliminate duplicates Z: 17 16.275 1.806 0.502 0.826 1.000 0.688 CB 1.131 17 residues pruned to eliminate duplicates Z: 19 30.272 2.226 0.808 0.870 0.833 0.611 CB 1.552 19 residues pruned to eliminate duplicates Z: 20 34.584 2.258 0.942 0.867 0.895 0.737 CA 1.480 20 residues pruned to eliminate duplicates Z: 15 30.745 2.106 0.916 0.860 1.000 1.000 CA 1.498 15 residues pruned to eliminate duplicates Z: 15 11.748 1.988 0.552 0.558 0.786 0.429 CB 1.224 15 residues pruned to eliminate duplicates Z: 12 27.050 1.996 0.924 0.897 1.000 0.909 CB 1.520 12 residues pruned to eliminate duplicates Z: 11 8.711 1.950 0.273 0.416 0.800 0.600 CB 1.514 9 residues pruned to eliminate duplicates Z: 18 31.647 2.265 1.084 0.715 0.941 0.529 CB 1.422 18 residues pruned to eliminate duplicates Z: 18 38.617 2.173 1.042 0.871 0.882 0.765 CA 1.746 18 residues pruned to eliminate duplicates Z: 10 9.787 1.862 0.624 0.563 0.889 0.667 CB 1.142 10 residues pruned to eliminate duplicates Z: 39 28.924 2.066 0.830 0.557 0.842 0.526 CB 1.394 39 residues pruned to eliminate duplicates Z: 15 11.312 1.801 0.155 0.900 0.857 0.714 CB 1.211 15 residues pruned to eliminate duplicates Z: 12 12.818 1.905 0.583 0.687 0.727 0.545 CA 1.484 12 residues pruned to eliminate duplicates Z: 90 74.593 2.201 0.898 0.714 0.966 0.697 CB 1.613 91 residues pruned to eliminate duplicates Z: 8 9.175 1.559 0.795 0.502 1.000 0.571 CA 1.237 6 residues pruned to eliminate duplicates Z: 26 23.382 2.076 0.698 0.561 0.840 0.680 CA 1.488 26 residues pruned to eliminate duplicates Z: 6 4.264 1.746 0.158 0.445 0.800 0.600 N 1.247 Z: 7 4.581 1.713 -0.014 0.666 0.833 0.667 CB 1.140 Z: 11 12.340 1.714 0.400 0.842 1.000 0.700 CA 1.212 11 residues pruned to eliminate duplicates Z: 13 13.112 1.958 0.429 0.805 0.917 0.750 CA 1.131 13 residues pruned to eliminate duplicates Z: 10 12.973 1.731 0.601 0.871 1.000 1.000 CB 1.137 10 residues pruned to eliminate duplicates Z: 13 23.464 1.994 0.741 0.895 1.000 0.667 CB 1.398 13 residues pruned to eliminate duplicates Z: 12 25.025 2.241 0.666 0.872 1.000 0.727 CA 1.473 12 residues pruned to eliminate duplicates Z: 16 28.910 1.933 1.001 0.902 0.933 0.667 CB 1.475 16 residues pruned to eliminate duplicates Z: 12 19.865 2.369 0.344 0.895 0.909 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 59 43.932 2.193 0.810 0.478 0.948 0.552 CB 1.567 59 residues pruned to eliminate duplicates Z: 11 18.179 1.857 0.669 0.890 1.000 1.000 CB 1.335 11 residues pruned to eliminate duplicates Z: 11 20.560 1.959 0.595 0.909 1.000 0.700 CA 1.477 11 residues pruned to eliminate duplicates Z: 46 46.477 2.257 0.776 0.628 1.000 0.711 CA 1.532 46 residues pruned to eliminate duplicates Z: 12 15.421 1.859 0.266 0.829 1.000 0.545 CA 1.487 12 residues pruned to eliminate duplicates Z: 13 23.644 2.084 0.774 0.835 0.917 0.750 CA 1.508 13 residues pruned to eliminate duplicates Z: 12 14.988 1.742 0.667 0.887 1.000 0.818 CA 1.122 12 residues pruned to eliminate duplicates Z: 16 15.041 2.149 0.800 0.452 0.667 0.467 CA 1.582 16 residues pruned to eliminate duplicates Z: 22 32.434 2.184 0.729 0.828 0.952 0.810 CA 1.482 22 residues pruned to eliminate duplicates Z: 7 5.059 1.677 0.359 0.631 0.833 0.667 N 0.962 Z: 63 54.139 2.271 0.867 0.567 0.935 0.694 CB 1.624 63 residues pruned to eliminate duplicates Z: 63 58.398 2.219 0.813 0.709 0.935 0.613 CA 1.629 63 residues pruned to eliminate duplicates Z: 13 14.823 1.829 0.247 0.893 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 18 41.830 2.180 1.293 0.864 0.941 0.471 CA 1.581 18 residues pruned to eliminate duplicates Z: 18 13.439 2.007 0.592 0.397 0.765 0.471 CB 1.487 18 residues pruned to eliminate duplicates Z: 11 11.736 1.773 0.600 0.824 1.000 0.500 CB 0.988 11 residues pruned to eliminate duplicates Z: 8 4.257 1.574 0.246 0.627 0.714 0.286 CB 1.019 8 residues pruned to eliminate duplicates Z: 32 30.156 2.212 0.733 0.671 0.871 0.484 CB 1.386 32 residues pruned to eliminate duplicates Z: 14 41.420 2.283 1.244 0.911 1.000 0.615 CB 1.590 14 residues pruned to eliminate duplicates Z: 39 28.710 2.220 0.404 0.564 0.921 0.711 CA 1.526 53 residues pruned to eliminate duplicates Z: 17 24.996 1.895 0.669 0.902 1.000 0.750 CA 1.410 18 residues pruned to eliminate duplicates Z: 6 5.490 1.484 0.582 0.684 1.000 0.800 CA 0.883 Z: 6 2.479 1.652 0.284 0.420 0.600 0.400 CB 0.947 Z: 18 15.840 1.829 0.329 0.711 1.000 0.824 CB 1.305 13 residues pruned to eliminate duplicates Z: 10 13.621 1.820 0.370 0.894 0.889 0.667 CA 1.470 10 residues pruned to eliminate duplicates Z: 13 28.694 2.046 0.648 0.925 1.000 1.000 CA 1.723 13 residues pruned to eliminate duplicates Z: 68 50.689 2.183 0.814 0.656 0.910 0.522 CB 1.485 68 residues pruned to eliminate duplicates Z: 15 30.544 2.126 0.868 0.906 1.000 0.643 CB 1.462 15 residues pruned to eliminate duplicates Z: 27 32.648 2.212 0.700 0.649 0.962 0.615 CB 1.542 27 residues pruned to eliminate duplicates Z: 11 9.149 1.777 0.411 0.850 0.800 0.700 CA 1.068 11 residues pruned to eliminate duplicates Z: 7 2.851 1.550 0.611 0.447 0.667 0.333 CB 0.738 7 residues pruned to eliminate duplicates Z: 7 3.087 1.539 0.117 0.536 0.833 0.500 CB 0.849 Z: 17 44.260 2.311 1.098 0.925 1.000 1.000 CA 1.602 17 residues pruned to eliminate duplicates Z: 13 17.862 2.109 0.271 0.918 1.000 0.750 CA 1.357 13 residues pruned to eliminate duplicates Z: 21 34.214 2.237 1.077 0.629 1.000 0.500 CB 1.458 21 residues pruned to eliminate duplicates Z: 48 42.251 2.073 0.942 0.683 0.894 0.574 CB 1.448 45 residues pruned to eliminate duplicates Z: 20 13.277 1.896 0.606 0.377 0.842 0.526 CB 1.354 26 residues pruned to eliminate duplicates Z: 12 25.224 1.996 1.080 0.880 0.909 0.636 CA 1.460 12 residues pruned to eliminate duplicates Z: 8 6.148 1.552 1.030 0.430 0.857 0.429 CB 0.926 Z: 39 29.450 2.055 0.955 0.555 0.789 0.368 CB 1.428 39 residues pruned to eliminate duplicates Z: 7 5.613 1.581 0.511 0.745 0.667 0.667 O 1.156 7 residues pruned to eliminate duplicates Z: 14 14.105 2.120 0.670 0.414 0.846 0.385 CB 1.429 14 residues pruned to eliminate duplicates Z: 94 79.560 2.284 0.859 0.718 0.957 0.613 CB 1.667 94 residues pruned to eliminate duplicates Z: 6 2.891 1.818 -0.105 0.587 0.800 0.600 N 0.913 Z: 18 46.892 2.395 1.162 0.840 1.000 0.706 CB 1.640 18 residues pruned to eliminate duplicates Z: 7 12.391 1.847 0.558 0.841 1.000 0.333 CB 1.311 7 residues pruned to eliminate duplicates Z: 12 22.331 1.934 0.894 0.913 1.000 0.818 CB 1.301 13 residues pruned to eliminate duplicates Z: 13 14.895 1.766 0.716 0.831 0.917 0.750 CA 1.163 13 residues pruned to eliminate duplicates Z: 15 15.432 2.102 0.841 0.296 0.857 0.643 CA 1.562 15 residues pruned to eliminate duplicates Z: 16 24.772 2.001 0.717 0.878 0.933 0.800 CA 1.448 16 residues pruned to eliminate duplicates Z: 21 12.225 1.807 0.620 0.372 0.900 0.400 CB 1.190 20 residues pruned to eliminate duplicates Z: 12 34.065 2.384 0.840 0.825 1.000 0.545 CB 1.767 Z: 11 26.751 2.432 0.460 0.929 1.000 1.000 CA 1.667 11 residues pruned to eliminate duplicates Z: 9 5.101 1.552 0.761 0.374 0.750 0.500 CB 1.007 6 residues pruned to eliminate duplicates Z: 9 5.380 1.858 0.149 0.700 0.750 0.250 CB 0.990 9 residues pruned to eliminate duplicates Z: 7 4.999 1.592 0.594 0.760 0.833 0.667 CB 0.766 7 residues pruned to eliminate duplicates Z: 14 20.533 2.099 0.594 0.812 1.000 0.769 CB 1.298 14 residues pruned to eliminate duplicates Z: 7 5.464 1.694 0.075 0.883 0.833 0.667 CB 1.063 7 residues pruned to eliminate duplicates Z: 18 9.111 1.754 0.464 0.529 0.824 0.588 CB 1.016 18 residues pruned to eliminate duplicates Z: 12 22.617 2.249 0.488 0.865 1.000 0.636 CA 1.493 12 residues pruned to eliminate duplicates Z: 15 22.938 2.085 0.796 0.749 0.857 0.571 CA 1.529 15 residues pruned to eliminate duplicates Z: 6 4.784 1.737 0.002 0.528 1.000 0.400 CB 1.196 Z: 8 10.042 1.781 0.337 0.814 0.857 0.571 CB 1.415 7 residues pruned to eliminate duplicates Z: 33 36.129 2.049 0.814 0.687 0.938 0.594 CB 1.544 38 residues pruned to eliminate duplicates 6 1.824 1.791 -0.332 0.300 0.800 0.200 CB 1.066 ? Z: 13 13.898 1.929 0.374 0.829 0.917 0.833 CB 1.242 13 residues pruned to eliminate duplicates Z: 26 32.595 2.070 0.795 0.633 1.000 0.640 CB 1.548 26 residues pruned to eliminate duplicates Z: 29 30.624 2.093 0.660 0.612 0.964 0.536 CA 1.553 25 residues pruned to eliminate duplicates Z: 19 38.362 2.331 0.847 0.853 0.944 0.556 CA 1.644 19 residues pruned to eliminate duplicates Z: 48 20.748 1.893 0.659 0.522 0.723 0.511 CB 1.303 48 residues pruned to eliminate duplicates Z: 9 20.671 1.963 0.788 0.861 1.000 0.750 CA 1.530 9 residues pruned to eliminate duplicates Z: 18 26.866 2.309 0.813 0.583 0.824 0.765 CB 1.745 18 residues pruned to eliminate duplicates Z: 11 20.920 1.983 0.454 0.898 1.000 0.900 CA 1.642 11 residues pruned to eliminate duplicates Z: 13 14.383 1.787 0.554 0.848 0.917 0.750 CB 1.210 13 residues pruned to eliminate duplicates Z: 27 14.559 1.924 0.513 0.296 0.962 0.385 CB 1.281 27 residues pruned to eliminate duplicates Z: 13 27.680 2.011 0.686 0.910 1.000 0.917 CA 1.672 13 residues pruned to eliminate duplicates Z: 28 32.552 2.076 0.750 0.626 0.963 0.630 CA 1.591 29 residues pruned to eliminate duplicates Z: 6 5.538 1.798 1.004 0.325 0.600 0.400 N 1.388 Z: 20 30.499 2.099 0.640 0.869 0.947 0.474 CB 1.568 20 residues pruned to eliminate duplicates Z: 12 18.113 1.810 0.688 0.892 1.000 0.818 CB 1.284 12 residues pruned to eliminate duplicates Z: 10 13.804 2.033 0.763 0.807 0.778 0.222 CA 1.263 10 residues pruned to eliminate duplicates Z: 8 13.282 1.827 0.733 0.717 1.000 0.857 CB 1.303 Z: 8 8.198 1.929 1.031 0.560 0.571 0.571 CB 1.306 8 residues pruned to eliminate duplicates Z: 53 36.390 2.158 0.662 0.568 0.923 0.577 CB 1.428 53 residues pruned to eliminate duplicates Z: 34 47.990 2.293 0.921 0.763 0.909 0.667 CA 1.652 34 residues pruned to eliminate duplicates Z: 12 33.722 2.294 0.997 0.908 1.000 0.727 CB 1.577 12 residues pruned to eliminate duplicates Z: 21 28.638 2.132 0.631 0.824 0.900 0.700 CB 1.545 21 residues pruned to eliminate duplicates Z: 11 10.232 1.970 0.649 0.390 0.800 0.700 CB 1.399 11 residues pruned to eliminate duplicates Z: 18 15.140 2.017 0.538 0.407 0.941 0.471 CA 1.387 18 residues pruned to eliminate duplicates Z: 8 8.328 1.755 0.372 0.785 0.714 0.429 CB 1.424 Z: 9 11.229 1.831 0.590 0.851 1.000 0.875 CB 1.009 9 residues pruned to eliminate duplicates Z: 6 3.647 1.566 0.126 0.571 0.800 0.400 O 1.079 Z: 17 12.038 1.791 0.057 0.859 1.000 0.812 CB 1.170 16 residues pruned to eliminate duplicates Z: 7 4.288 1.461 0.766 0.445 0.667 0.333 O 1.076 7 residues pruned to eliminate duplicates Z: 10 10.311 1.734 0.374 0.691 0.889 0.444 CA 1.361 10 residues pruned to eliminate duplicates Z: 20 38.935 2.347 0.811 0.880 0.947 0.526 CA 1.608 20 residues pruned to eliminate duplicates Z: 44 30.300 2.005 0.760 0.552 0.907 0.628 CB 1.372 35 residues pruned to eliminate duplicates Z: 16 15.621 1.830 0.661 0.568 0.933 0.533 CB 1.331 16 residues pruned to eliminate duplicates Z: 6 10.796 1.642 0.794 0.763 1.000 0.800 N 1.297 Z: 16 19.033 1.867 0.667 0.898 1.000 0.533 CB 1.130 16 residues pruned to eliminate duplicates Z: 6 7.790 1.817 -0.004 0.777 1.000 0.600 O 1.508 Z: 12 18.667 1.880 0.502 0.901 0.909 0.818 N 1.566 12 residues pruned to eliminate duplicates Z: 61 46.712 2.170 0.936 0.571 0.917 0.533 CB 1.462 61 residues pruned to eliminate duplicates Z: 14 30.406 1.957 1.086 0.902 0.923 0.615 CB 1.597 14 residues pruned to eliminate duplicates Z: 12 17.692 1.936 0.762 0.844 0.909 0.818 CB 1.280 12 residues pruned to eliminate duplicates Z: 9 4.619 1.491 0.210 0.545 0.875 0.500 CB 0.991 9 residues pruned to eliminate duplicates Z: 15 14.168 2.055 0.786 0.535 0.857 0.643 CA 1.163 15 residues pruned to eliminate duplicates Z: 9 14.807 1.845 0.582 0.919 1.000 1.000 CB 1.264 9 residues pruned to eliminate duplicates Z: 11 4.112 1.452 0.752 0.413 0.800 0.400 CB 0.700 Z: 13 20.016 1.922 0.768 0.870 1.000 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 11 13.120 1.736 0.865 0.858 0.900 0.400 CB 1.049 11 residues pruned to eliminate duplicates Z: 6 3.341 2.029 0.180 0.331 0.800 0.600 CB 0.938 6 residues pruned to eliminate duplicates Z: 13 20.005 1.773 0.606 0.840 1.000 0.667 CA 1.513 13 residues pruned to eliminate duplicates Z: 41 23.474 1.834 0.474 0.745 0.925 0.650 CB 1.192 42 residues pruned to eliminate duplicates Z: 15 20.126 1.945 0.670 0.898 0.857 0.643 CB 1.381 15 residues pruned to eliminate duplicates Z: 8 3.600 1.712 0.395 0.336 0.714 0.571 CB 0.954 5 residues pruned to eliminate duplicates Z: 11 11.010 1.840 0.293 0.858 1.000 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 11 11.691 1.749 0.313 0.798 1.000 0.600 CB 1.241 11 residues pruned to eliminate duplicates Z: 10 11.092 1.723 0.691 0.859 1.000 0.778 CB 0.934 10 residues pruned to eliminate duplicates Z: 77 56.107 2.279 0.557 0.672 0.934 0.763 CB 1.656 77 residues pruned to eliminate duplicates Z: 15 13.530 1.808 0.311 0.877 0.929 0.857 CB 1.193 15 residues pruned to eliminate duplicates Z: 27 13.256 1.863 0.545 0.396 0.769 0.577 CB 1.311 33 residues pruned to eliminate duplicates Z: 33 19.559 1.777 0.752 0.471 0.875 0.594 CA 1.307 25 residues pruned to eliminate duplicates Z: 22 22.266 2.019 0.623 0.676 0.857 0.667 CB 1.471 22 residues pruned to eliminate duplicates Z: 25 15.615 1.799 0.281 0.700 0.958 0.667 CB 1.203 22 residues pruned to eliminate duplicates Z: 11 18.108 1.903 0.604 0.927 1.000 0.900 CB 1.315 11 residues pruned to eliminate duplicates Z: 13 14.193 1.923 0.467 0.793 0.833 0.500 CA 1.348 13 residues pruned to eliminate duplicates Z: 13 17.377 2.005 0.487 0.830 1.000 0.833 CB 1.265 13 residues pruned to eliminate duplicates Z: 6 8.995 1.528 0.749 0.775 1.000 0.400 CA 1.181 6 residues pruned to eliminate duplicates Z: 39 27.714 2.113 0.749 0.525 0.895 0.500 CB 1.326 39 residues pruned to eliminate duplicates Z: 8 6.054 1.904 0.791 0.201 0.857 0.571 CB 1.118 Z: 7 4.432 1.362 0.243 0.652 1.000 0.667 CA 0.928 3 residues pruned to eliminate duplicates Z: 100 63.731 2.171 0.785 0.664 0.889 0.596 CA 1.598 100 residues pruned to eliminate duplicates Z: 8 8.027 1.406 0.732 0.749 1.000 0.714 CA 0.998 Z: 23 34.344 2.192 0.799 0.652 0.955 0.818 CB 1.688 23 residues pruned to eliminate duplicates Z: 15 32.698 2.283 0.885 0.930 0.929 0.429 CA 1.529 15 residues pruned to eliminate duplicates Z: 54 46.510 2.230 0.749 0.628 0.925 0.642 CB 1.571 60 residues pruned to eliminate duplicates Z: 6 4.472 1.670 -0.014 0.770 0.800 0.600 CB 1.196 Z: 21 28.839 2.173 0.873 0.638 0.950 0.450 CB 1.465 21 residues pruned to eliminate duplicates Z: 6 2.228 1.211 0.106 0.495 0.800 0.800 CA 0.934 Z: 11 15.067 1.992 0.239 0.911 1.000 0.900 CB 1.368 11 residues pruned to eliminate duplicates Z: 12 8.303 1.618 0.484 0.516 0.909 0.636 CB 1.129 Z: 7 17.695 2.194 0.424 0.863 1.000 0.500 CB 1.697 7 residues pruned to eliminate duplicates Z: 22 34.233 2.157 0.886 0.825 0.905 0.524 CA 1.532 22 residues pruned to eliminate duplicates Z: 80 52.651 2.162 0.781 0.619 0.886 0.620 CB 1.551 80 residues pruned to eliminate duplicates Z: 24 21.447 2.107 0.742 0.464 0.913 0.696 CB 1.385 24 residues pruned to eliminate duplicates Z: 10 8.831 1.839 0.171 0.837 0.778 0.556 CB 1.314 10 residues pruned to eliminate duplicates Z: 12 21.953 2.018 0.758 0.823 1.000 0.727 CA 1.411 12 residues pruned to eliminate duplicates Z: 23 24.510 1.934 0.846 0.567 0.909 0.682 CA 1.509 23 residues pruned to eliminate duplicates Z: 7 3.519 1.173 0.476 0.710 0.833 0.667 CB 0.824 Z: 17 19.260 1.942 0.668 0.720 0.938 0.438 CB 1.300 17 residues pruned to eliminate duplicates Z: 13 32.364 2.042 0.964 0.922 1.000 0.750 CA 1.639 13 residues pruned to eliminate duplicates Z: 7 5.230 1.540 0.366 0.565 1.000 0.833 CA 0.954 Z: 21 30.754 2.183 0.871 0.807 0.850 0.600 CB 1.515 21 residues pruned to eliminate duplicates Z: 84 64.722 2.193 0.826 0.664 0.952 0.699 CA 1.601 84 residues pruned to eliminate duplicates Z: 19 26.210 2.189 0.416 0.824 1.000 0.722 CA 1.505 19 residues pruned to eliminate duplicates Z: 6 9.529 1.807 0.594 0.702 1.000 0.800 CB 1.231 6 residues pruned to eliminate duplicates Z: 11 19.261 1.732 1.060 0.881 1.000 0.400 CB 1.236 11 residues pruned to eliminate duplicates Z: 11 7.473 2.004 0.386 0.678 0.600 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 13 32.476 2.059 0.911 0.904 1.000 0.667 CB 1.697 13 residues pruned to eliminate duplicates Z: 9 2.562 1.720 0.722 0.204 0.375 0.375 CA 1.159 9 residues pruned to eliminate duplicates Z: 9 12.659 1.933 0.688 0.659 1.000 0.750 CA 1.184 9 residues pruned to eliminate duplicates Z: 21 33.001 2.211 0.934 0.861 0.850 0.650 CA 1.492 21 residues pruned to eliminate duplicates Z: 6 5.586 1.544 0.438 0.572 1.000 0.400 CA 1.050 Z: 18 12.255 1.892 0.343 0.563 0.824 0.706 CB 1.337 18 residues pruned to eliminate duplicates Z: 26 20.596 1.942 0.797 0.583 0.760 0.520 CB 1.434 26 residues pruned to eliminate duplicates Z: 52 40.958 2.173 0.735 0.567 0.882 0.588 CA 1.616 52 residues pruned to eliminate duplicates Z: 10 3.388 1.594 0.450 0.278 0.556 0.222 CB 1.130 Z: 23 24.669 2.078 0.641 0.654 0.909 0.636 CB 1.471 23 residues pruned to eliminate duplicates Z: 6 4.577 1.431 0.507 0.559 1.000 0.800 O 0.896 6 residues pruned to eliminate duplicates Z: 7 3.932 1.392 0.776 0.247 0.833 0.500 O 1.044 Z: 12 11.372 1.788 0.871 0.388 0.818 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 8 3.544 1.676 0.275 0.576 1.000 0.857 CB 0.583 Z: 20 14.996 1.972 0.966 0.496 0.737 0.632 CB 1.209 20 residues pruned to eliminate duplicates Z: 11 4.697 1.610 0.763 0.325 0.600 0.500 N 1.057 Z: 12 18.710 1.823 0.800 0.897 1.000 0.727 CA 1.231 12 residues pruned to eliminate duplicates Z: 34 43.957 2.368 0.902 0.550 0.909 0.667 CB 1.781 34 residues pruned to eliminate duplicates Z: 21 20.345 2.020 0.872 0.560 0.800 0.600 CA 1.417 21 residues pruned to eliminate duplicates Z: 69 56.546 2.175 0.734 0.737 0.956 0.691 CA 1.538 69 residues pruned to eliminate duplicates Z: 9 7.843 1.825 0.792 0.188 0.875 0.500 CA 1.409 17 residues pruned to eliminate duplicates Z: 105 67.289 2.196 0.822 0.655 0.875 0.587 CB 1.632 105 residues pruned to eliminate duplicates Z: 8 4.200 1.394 0.877 0.469 0.714 0.429 N 0.876 Z: 10 5.177 1.645 0.697 0.296 0.778 0.444 CB 0.998 4 residues pruned to eliminate duplicates Z: 8 7.063 1.456 0.555 0.842 0.857 0.714 CB 1.025 6 residues pruned to eliminate duplicates Z: 7 7.732 1.900 0.268 0.860 0.833 0.667 CB 1.156 7 residues pruned to eliminate duplicates Z: 12 11.556 1.828 0.120 0.919 1.000 0.818 CB 1.200 20 residues pruned to eliminate duplicates Z: 25 6.729 1.787 0.556 0.168 0.667 0.375 CB 1.109 25 residues pruned to eliminate duplicates Z: 13 27.170 2.174 0.812 0.769 0.917 0.833 CB 1.712 13 residues pruned to eliminate duplicates Z: 17 34.493 2.144 0.863 0.879 1.000 0.438 CB 1.566 17 residues pruned to eliminate duplicates Z: 12 15.617 1.803 0.558 0.891 1.000 0.545 CB 1.205 12 residues pruned to eliminate duplicates Z: 12 6.073 1.747 0.585 0.370 0.727 0.545 CB 1.045 12 residues pruned to eliminate duplicates Z: 12 17.208 1.882 0.660 0.937 0.909 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 13 32.855 2.353 0.924 0.876 1.000 0.917 CB 1.523 13 residues pruned to eliminate duplicates Z: 15 26.064 2.145 0.750 0.758 1.000 0.643 CB 1.475 15 residues pruned to eliminate duplicates Z: 11 35.811 2.443 1.013 0.909 1.000 0.200 CB 1.634 11 residues pruned to eliminate duplicates Z: 8 6.698 1.487 0.430 0.844 0.857 0.571 CA 1.034 8 residues pruned to eliminate duplicates Z: 8 14.086 1.863 0.611 0.660 1.000 0.571 CA 1.529 8 residues pruned to eliminate duplicates Z: 8 9.538 1.918 0.553 0.487 0.857 0.714 CA 1.431 8 residues pruned to eliminate duplicates Z: 42 46.993 2.229 0.662 0.734 0.927 0.659 CA 1.731 42 residues pruned to eliminate duplicates Z: 17 5.552 1.637 0.526 0.308 0.688 0.375 N 1.000 10 residues pruned to eliminate duplicates Z: 15 24.768 2.234 0.767 0.894 0.929 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 103 69.769 2.201 0.918 0.662 0.922 0.696 CB 1.528 103 residues pruned to eliminate duplicates Z: 12 14.938 1.898 0.625 0.829 0.909 0.818 CB 1.208 12 residues pruned to eliminate duplicates Z: 10 21.441 2.064 1.041 0.798 0.889 0.444 CB 1.471 10 residues pruned to eliminate duplicates Z: 10 12.654 1.851 0.238 0.893 1.000 0.889 CA 1.321 10 residues pruned to eliminate duplicates Z: 12 8.317 1.831 0.279 0.523 0.818 0.727 CA 1.280 12 residues pruned to eliminate duplicates Z: 18 34.227 2.257 0.658 0.906 0.941 0.471 CB 1.676 18 residues pruned to eliminate duplicates Z: 6 6.449 1.892 0.203 0.667 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 56 42.651 2.091 0.756 0.695 0.927 0.655 CA 1.413 56 residues pruned to eliminate duplicates Z: 20 17.854 1.860 0.833 0.619 0.842 0.632 CB 1.275 20 residues pruned to eliminate duplicates Z: 11 14.132 1.866 0.462 0.880 1.000 0.600 CB 1.187 11 residues pruned to eliminate duplicates Z: 90 57.674 2.112 0.886 0.637 0.865 0.506 CB 1.561 90 residues pruned to eliminate duplicates Z: 10 6.191 1.536 0.252 0.578 1.000 0.444 CB 0.995 Z: 11 3.122 1.782 0.581 0.322 0.700 0.500 CB 0.609 11 residues pruned to eliminate duplicates Z: 38 30.566 2.027 0.738 0.589 0.865 0.676 CA 1.515 37 residues pruned to eliminate duplicates Z: 9 6.184 1.711 0.174 0.549 0.875 0.500 CB 1.186 6 residues pruned to eliminate duplicates Z: 6 3.252 1.322 0.389 0.570 1.000 0.600 N 0.741 Z: 39 27.497 2.164 0.891 0.470 0.763 0.500 CB 1.472 39 residues pruned to eliminate duplicates Z: 9 3.507 1.876 0.012 0.310 0.750 0.375 CB 1.075 Z: 10 10.815 1.565 0.479 0.866 1.000 1.000 CB 1.140 Z: 11 10.080 1.931 0.302 0.823 0.800 0.500 CB 1.197 11 residues pruned to eliminate duplicates Z: 7 5.923 1.190 0.630 0.838 1.000 0.667 CA 0.932 Z: 6 7.686 1.793 0.206 0.848 1.000 0.800 CA 1.179 6 residues pruned to eliminate duplicates Z: 34 26.068 1.935 0.678 0.540 0.909 0.424 CB 1.479 34 residues pruned to eliminate duplicates Z: 8 4.225 1.564 0.198 0.528 0.857 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 6 3.860 1.466 0.197 0.614 0.800 0.200 CB 1.103 Z: 7 2.826 1.505 0.362 0.487 0.667 0.667 CB 0.855 6 1.661 1.040 0.924 0.538 0.800 0.400 CB 0.447 ? Z: 15 19.653 1.860 0.732 0.894 1.000 0.786 CB 1.170 15 residues pruned to eliminate duplicates Z: 10 15.321 1.753 0.584 0.829 1.000 0.778 CA 1.384 10 residues pruned to eliminate duplicates 6 0.978 1.146 0.458 0.282 0.600 0.400 N 0.558 ? 6 1.610 1.296 -0.055 0.298 0.800 0.600 CB 0.920 ? Z: 13 9.819 1.759 0.084 0.910 1.000 0.833 CB 1.054 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 8.733 1.871 0.784 0.473 0.857 0.857 CB 1.185 8 residues pruned to eliminate duplicates Z: 8 8.277 1.902 0.687 0.478 0.857 0.857 CB 1.162 8 residues pruned to eliminate duplicates Z: 8 11.723 1.975 0.680 0.533 1.000 0.857 CA 1.292 7 residues pruned to eliminate duplicates Z: 6 4.318 1.686 0.465 0.467 0.800 0.800 CA 1.011 6 residues pruned to eliminate duplicates Z: 8 6.506 1.910 0.664 0.576 0.714 0.714 CB 1.007 9 residues pruned to eliminate duplicates Z: 11 10.519 1.576 0.310 0.855 1.000 0.900 CB 1.189 11 residues pruned to eliminate duplicates Z: 18 7.922 1.738 0.273 0.469 0.706 0.294 CB 1.269 18 residues pruned to eliminate duplicates Z: 77 67.655 2.230 0.993 0.673 0.947 0.618 CB 1.571 77 residues pruned to eliminate duplicates Z: 86 56.247 2.224 0.665 0.693 0.894 0.682 CB 1.546 86 residues pruned to eliminate duplicates Z: 40 37.042 2.121 1.009 0.665 0.846 0.436 CB 1.412 40 residues pruned to eliminate duplicates Z: 114 72.851 2.238 0.859 0.690 0.912 0.575 CB 1.518 114 residues pruned to eliminate duplicates Z: 43 36.345 2.108 0.905 0.608 0.857 0.548 CB 1.470 43 residues pruned to eliminate duplicates Z: 91 62.627 2.246 0.826 0.619 0.900 0.622 CB 1.598 91 residues pruned to eliminate duplicates Z: 111 78.748 2.257 0.942 0.693 0.927 0.627 CB 1.548 127 residues pruned to eliminate duplicates Z: 15 35.502 2.211 0.972 0.870 1.000 0.714 CB 1.589 15 residues pruned to eliminate duplicates Z: 76 64.681 2.299 0.936 0.685 0.920 0.587 CB 1.539 76 residues pruned to eliminate duplicates Z: 14 39.022 2.291 1.241 0.874 1.000 0.692 CA 1.534 14 residues pruned to eliminate duplicates Z: 79 63.480 2.233 0.912 0.662 0.936 0.641 CB 1.549 79 residues pruned to eliminate duplicates Z: 17 28.105 2.211 0.968 0.627 0.875 0.438 CA 1.637 17 residues pruned to eliminate duplicates Z: 110 71.245 2.238 0.917 0.686 0.899 0.615 CB 1.492 110 residues pruned to eliminate duplicates Z: 80 60.533 2.226 0.857 0.674 0.949 0.633 CB 1.479 79 residues pruned to eliminate duplicates Z: 14 45.484 2.349 1.277 0.925 1.000 0.692 CA 1.655 14 residues pruned to eliminate duplicates Z: 77 65.768 2.289 0.888 0.682 0.934 0.671 CB 1.581 79 residues pruned to eliminate duplicates Z: 6 3.435 1.826 0.558 0.262 0.600 0.400 CA 1.182 6 residues pruned to eliminate duplicates Z: 10 6.409 1.771 0.463 0.324 0.778 0.444 CA 1.287 9 residues pruned to eliminate duplicates Z: 13 22.939 2.069 0.644 0.905 0.917 0.583 CA 1.512 13 residues pruned to eliminate duplicates Z: 18 30.653 2.256 0.894 0.652 1.000 0.706 CB 1.511 18 residues pruned to eliminate duplicates Z: 57 44.044 2.135 0.931 0.552 0.893 0.446 CB 1.520 56 residues pruned to eliminate duplicates Z: 12 25.390 2.156 0.881 0.919 1.000 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 22 22.869 2.187 1.089 0.518 0.810 0.524 CB 1.326 22 residues pruned to eliminate duplicates Z: 17 28.642 2.277 1.061 0.698 1.000 0.625 CB 1.273 17 residues pruned to eliminate duplicates Z: 57 39.429 2.138 0.805 0.531 0.893 0.482 CB 1.482 57 residues pruned to eliminate duplicates Z: 93 69.701 2.250 0.955 0.644 0.913 0.609 CB 1.582 93 residues pruned to eliminate duplicates Z: 19 23.377 2.221 1.081 0.599 0.944 0.389 CB 1.149 19 residues pruned to eliminate duplicates Z: 25 23.803 2.161 0.886 0.471 0.875 0.417 CB 1.404 25 residues pruned to eliminate duplicates Z: 135 78.240 2.193 0.881 0.650 0.910 0.582 CB 1.564 135 residues pruned to eliminate duplicates Z: 54 42.158 2.204 0.914 0.578 0.849 0.604 CB 1.501 54 residues pruned to eliminate duplicates Z: 18 33.728 2.279 1.069 0.663 1.000 0.882 CB 1.491 18 residues pruned to eliminate duplicates Z: 26 16.414 1.967 0.892 0.511 0.840 0.360 CB 1.039 26 residues pruned to eliminate duplicates Z: 24 20.967 2.118 0.833 0.564 0.783 0.478 CB 1.353 24 residues pruned to eliminate duplicates Z: 15 12.130 2.021 0.887 0.497 0.714 0.500 CB 1.194 Z: 6 5.680 1.690 0.845 0.405 0.800 0.600 CA 1.126 6 residues pruned to eliminate duplicates Z: 19 12.213 1.968 0.467 0.365 0.833 0.500 CB 1.383 13 residues pruned to eliminate duplicates Z: 8 4.572 1.924 0.380 0.358 0.571 0.429 CA 1.328 8 residues pruned to eliminate duplicates Z: 16 12.812 2.119 0.543 0.434 0.733 0.600 CB 1.476 18 residues pruned to eliminate duplicates Z: 7 14.301 1.968 0.888 0.851 1.000 0.667 CB 1.163 7 residues pruned to eliminate duplicates Z: 38 16.716 1.853 0.511 0.612 0.811 0.459 CB 1.089 38 residues pruned to eliminate duplicates Z: 17 19.922 1.967 0.755 0.708 0.938 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 9 14.097 1.825 0.606 0.898 1.000 1.000 CB 1.216 9 residues pruned to eliminate duplicates Z: 41 26.264 1.945 0.601 0.577 0.950 0.625 CB 1.304 41 residues pruned to eliminate duplicates Z: 45 23.739 1.920 0.552 0.563 0.864 0.523 CB 1.309 45 residues pruned to eliminate duplicates Z: 22 24.441 1.985 0.759 0.682 0.857 0.667 CA 1.508 22 residues pruned to eliminate duplicates Z: 38 24.467 1.938 0.653 0.514 0.865 0.514 CB 1.432 38 residues pruned to eliminate duplicates Z: 11 11.597 1.886 0.838 0.425 0.900 0.600 CB 1.271 11 residues pruned to eliminate duplicates Z: 22 18.929 1.839 0.691 0.655 0.905 0.571 CB 1.271 22 residues pruned to eliminate duplicates Z: 11 7.420 1.796 0.646 0.371 0.800 0.600 CA 1.139 11 residues pruned to eliminate duplicates Z: 46 33.767 2.099 0.784 0.625 0.844 0.556 CB 1.415 46 residues pruned to eliminate duplicates Z: 40 39.352 2.179 0.873 0.636 0.872 0.692 CB 1.559 40 residues pruned to eliminate duplicates Z: 82 49.920 2.187 0.734 0.574 0.877 0.580 CB 1.553 82 residues pruned to eliminate duplicates Z: 91 66.318 2.204 0.811 0.711 0.922 0.656 CA 1.568 91 residues pruned to eliminate duplicates Z: 57 31.849 2.079 0.687 0.437 0.857 0.464 CB 1.511 57 residues pruned to eliminate duplicates Z: 20 19.530 2.173 0.374 0.623 0.842 0.684 CA 1.586 20 residues pruned to eliminate duplicates Z: 100 65.090 2.212 0.906 0.624 0.879 0.566 CB 1.571 100 residues pruned to eliminate duplicates Z: 130 79.977 2.168 0.900 0.655 0.930 0.574 CA 1.592 130 residues pruned to eliminate duplicates Z: 21 30.446 2.147 0.801 0.639 0.900 0.600 CB 1.717 21 residues pruned to eliminate duplicates Z: 43 40.279 2.159 0.748 0.603 0.929 0.571 CB 1.609 43 residues pruned to eliminate duplicates Z: 21 38.821 2.188 1.072 0.726 0.950 0.450 CA 1.645 21 residues pruned to eliminate duplicates Z: 92 65.101 2.209 0.814 0.682 0.934 0.659 CB 1.542 92 residues pruned to eliminate duplicates Z: 96 65.695 2.213 0.841 0.635 0.937 0.621 CB 1.556 96 residues pruned to eliminate duplicates Z: 79 62.018 2.174 0.898 0.673 0.910 0.731 CB 1.594 79 residues pruned to eliminate duplicates Z: 50 47.291 2.220 0.763 0.671 0.939 0.694 CA 1.571 50 residues pruned to eliminate duplicates Z: 56 44.880 2.195 0.879 0.560 0.891 0.509 CB 1.553 56 residues pruned to eliminate duplicates Z: 61 37.270 2.078 0.760 0.503 0.883 0.517 CB 1.485 61 residues pruned to eliminate duplicates Z: 52 33.514 2.123 0.719 0.528 0.824 0.588 CB 1.519 52 residues pruned to eliminate duplicates Z: 37 35.446 2.247 0.940 0.533 0.833 0.611 CB 1.575 37 residues pruned to eliminate duplicates Z: 114 78.040 2.187 0.891 0.676 0.929 0.611 CB 1.625 114 residues pruned to eliminate duplicates Z: 70 53.638 2.193 0.784 0.653 0.899 0.652 CA 1.593 70 residues pruned to eliminate duplicates Z: 98 70.153 2.138 0.900 0.698 0.918 0.567 CB 1.595 98 residues pruned to eliminate duplicates Z: 86 59.250 2.101 0.851 0.654 0.918 0.729 CA 1.560 86 residues pruned to eliminate duplicates Z: 12 11.913 1.813 0.680 0.443 0.818 0.545 O 1.528 Z: 13 12.987 1.696 0.652 0.831 0.917 0.500 CA 1.097 13 residues pruned to eliminate duplicates Z: 39 34.548 2.005 0.909 0.662 0.895 0.500 CB 1.408 39 residues pruned to eliminate duplicates Z: 115 76.595 2.195 0.873 0.688 0.921 0.649 CB 1.595 129 residues pruned to eliminate duplicates Z: 7 11.200 1.750 0.991 0.884 0.833 0.833 CB 1.138 7 residues pruned to eliminate duplicates Z: 126 74.287 2.188 0.925 0.663 0.936 0.488 CB 1.449 145 residues pruned to eliminate duplicates Z: 81 60.205 2.212 0.855 0.653 0.913 0.637 CB 1.560 79 residues pruned to eliminate duplicates Z: 15 26.656 2.089 0.806 0.821 1.000 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 62 51.589 2.271 0.849 0.661 0.951 0.525 CB 1.425 64 residues pruned to eliminate duplicates Z: 14 21.914 2.072 0.483 0.839 0.923 0.615 CB 1.601 14 residues pruned to eliminate duplicates Z: 119 74.454 2.197 0.975 0.645 0.932 0.576 CB 1.480 113 residues pruned to eliminate duplicates Z: 16 23.884 2.051 0.881 0.769 0.933 0.667 CB 1.350 16 residues pruned to eliminate duplicates Z: 37 35.731 2.212 0.824 0.652 0.917 0.667 CB 1.398 37 residues pruned to eliminate duplicates Z: 113 72.714 2.232 0.918 0.689 0.902 0.518 CB 1.498 113 residues pruned to eliminate duplicates Z: 114 71.078 2.239 0.862 0.683 0.912 0.566 CB 1.487 114 residues pruned to eliminate duplicates Z: 73 55.626 2.292 0.781 0.702 0.875 0.639 CB 1.527 73 residues pruned to eliminate duplicates Z: 53 30.842 2.159 0.691 0.568 0.827 0.596 CB 1.326 42 residues pruned to eliminate duplicates Z: 16 18.571 2.084 0.868 0.710 0.800 0.533 CB 1.272 16 residues pruned to eliminate duplicates Z: 91 53.587 2.188 0.883 0.645 0.833 0.533 CB 1.436 91 residues pruned to eliminate duplicates Z: 38 26.058 2.135 0.776 0.547 0.838 0.486 CB 1.288 38 residues pruned to eliminate duplicates Z: 74 48.534 2.184 0.824 0.631 0.877 0.548 CB 1.438 74 residues pruned to eliminate duplicates Z: 76 64.399 2.297 0.821 0.695 0.960 0.560 CB 1.549 76 residues pruned to eliminate duplicates Z: 38 35.782 2.196 0.755 0.662 0.946 0.568 CB 1.389 38 residues pruned to eliminate duplicates Z: 22 22.261 2.174 0.515 0.638 0.857 0.667 CB 1.513 22 residues pruned to eliminate duplicates Z: 35 22.299 2.059 0.741 0.465 0.912 0.441 CB 1.213 35 residues pruned to eliminate duplicates Z: 15 21.793 2.233 0.877 0.740 0.929 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 74 54.731 2.263 0.929 0.668 0.890 0.438 CB 1.411 74 residues pruned to eliminate duplicates Z: 26 17.196 2.020 0.828 0.424 0.800 0.480 CB 1.260 26 residues pruned to eliminate duplicates Z: 78 59.567 2.263 0.865 0.684 0.922 0.584 CB 1.474 78 residues pruned to eliminate duplicates Z: 62 49.730 2.210 0.937 0.647 0.885 0.492 CB 1.465 62 residues pruned to eliminate duplicates Z: 24 18.204 2.102 0.860 0.506 0.913 0.522 CB 1.057 24 residues pruned to eliminate duplicates Z: 19 16.400 2.116 0.990 0.492 0.833 0.500 CB 1.110 19 residues pruned to eliminate duplicates Z: 34 34.986 2.285 0.737 0.682 0.879 0.667 CB 1.477 34 residues pruned to eliminate duplicates Z: 36 34.080 2.237 0.945 0.626 0.914 0.571 CB 1.285 36 residues pruned to eliminate duplicates Z: 37 32.961 2.199 0.922 0.640 0.889 0.472 CB 1.282 37 residues pruned to eliminate duplicates Z: 13 12.381 1.883 0.319 0.769 0.917 0.417 CB 1.237 13 residues pruned to eliminate duplicates Z: 18 11.857 1.769 0.136 0.659 1.000 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 17 11.890 1.765 0.500 0.563 0.938 0.625 CA 1.126 17 residues pruned to eliminate duplicates Z: 32 33.271 2.124 0.831 0.578 0.935 0.645 CA 1.524 32 residues pruned to eliminate duplicates Z: 20 21.199 1.938 0.952 0.485 0.895 0.526 CB 1.460 20 residues pruned to eliminate duplicates Z: 16 6.480 1.724 0.640 0.313 0.733 0.400 CB 0.993 16 residues pruned to eliminate duplicates Z: 32 25.383 2.018 0.882 0.525 0.871 0.581 CB 1.345 28 residues pruned to eliminate duplicates Z: 11 23.808 2.332 0.814 0.799 0.900 0.800 CA 1.522 11 residues pruned to eliminate duplicates Z: 13 22.916 2.199 0.715 0.802 0.917 0.667 CA 1.470 13 residues pruned to eliminate duplicates Z: 21 24.105 2.222 0.575 0.550 0.900 0.600 CB 1.630 21 residues pruned to eliminate duplicates Z: 76 41.174 2.122 0.739 0.485 0.853 0.520 CB 1.532 122 residues pruned to eliminate duplicates Z: 23 29.004 2.213 0.875 0.471 0.955 0.500 CB 1.608 Z: 14 26.839 2.179 0.852 0.769 1.000 0.615 CA 1.454 16 residues pruned to eliminate duplicates Z: 13 31.817 2.302 0.787 0.844 1.000 0.750 CA 1.660 13 residues pruned to eliminate duplicates Z: 15 25.247 2.116 0.888 0.754 0.929 0.571 CA 1.451 15 residues pruned to eliminate duplicates Z: 23 28.220 2.206 0.725 0.520 0.955 0.682 CB 1.624 23 residues pruned to eliminate duplicates Z: 23 34.378 2.192 0.896 0.573 1.000 0.636 CB 1.645 22 residues pruned to eliminate duplicates Z: 16 28.806 2.306 0.716 0.652 1.000 0.667 CA 1.632 16 residues pruned to eliminate duplicates Z: 22 26.213 2.172 0.731 0.558 0.905 0.667 CB 1.590 22 residues pruned to eliminate duplicates Z: 19 21.932 2.150 0.792 0.680 0.833 0.667 CB 1.364 19 residues pruned to eliminate duplicates Z: 19 25.871 2.189 0.847 0.591 0.833 0.556 CB 1.659 19 residues pruned to eliminate duplicates Z: 22 14.335 1.852 0.349 0.680 0.952 0.714 CB 1.114 22 residues pruned to eliminate duplicates Z: 18 12.267 1.823 0.205 0.772 1.000 0.882 CB 1.065 18 residues pruned to eliminate duplicates Z: 25 15.870 1.768 0.477 0.634 0.917 0.667 CB 1.193 25 residues pruned to eliminate duplicates Z: 26 14.723 1.737 0.428 0.683 0.920 0.680 CB 1.091 26 residues pruned to eliminate duplicates Z: 20 13.802 1.870 0.375 0.766 1.000 0.684 CB 0.973 20 residues pruned to eliminate duplicates Z: 23 16.216 1.850 0.482 0.714 0.909 0.773 CB 1.142 23 residues pruned to eliminate duplicates Z: 19 13.754 1.875 0.293 0.713 0.944 0.778 CB 1.168 19 residues pruned to eliminate duplicates Z: 24 13.395 1.768 0.246 0.641 0.957 0.565 CB 1.162 24 residues pruned to eliminate duplicates Z: 19 14.164 1.782 0.537 0.726 0.944 0.667 CB 1.052 19 residues pruned to eliminate duplicates Z: 24 13.511 1.789 0.567 0.594 0.913 0.391 CB 1.006 24 residues pruned to eliminate duplicates Z: 22 13.453 1.659 0.690 0.607 0.905 0.286 CB 1.045 22 residues pruned to eliminate duplicates Z: 22 15.464 1.753 0.546 0.743 0.952 0.524 CB 1.052 22 residues pruned to eliminate duplicates Z: 17 14.857 1.795 0.686 0.617 0.938 0.125 CB 1.172 17 residues pruned to eliminate duplicates Z: 23 19.570 1.738 0.932 0.720 0.909 0.455 CB 1.121 23 residues pruned to eliminate duplicates Z: 20 20.449 1.895 0.883 0.784 0.947 0.421 CB 1.081 20 residues pruned to eliminate duplicates Z: 33 14.410 1.786 0.582 0.522 0.844 0.469 CB 1.046 33 residues pruned to eliminate duplicates Z: 18 14.107 1.819 0.694 0.642 0.882 0.294 CB 1.102 18 residues pruned to eliminate duplicates Z: 19 19.464 1.846 0.858 0.741 1.000 0.500 CB 1.078 19 residues pruned to eliminate duplicates Z: 105 81.165 2.279 1.020 0.653 0.894 0.663 CB 1.677 105 residues pruned to eliminate duplicates Z: 16 23.805 2.136 0.947 0.669 0.867 0.467 CB 1.458 16 residues pruned to eliminate duplicates Z: 27 24.015 2.108 0.823 0.475 0.846 0.462 CB 1.487 27 residues pruned to eliminate duplicates Z: 20 18.967 1.859 0.745 0.555 0.947 0.632 CA 1.342 20 residues pruned to eliminate duplicates Z: 88 47.209 2.185 0.665 0.490 0.931 0.517 CB 1.509 88 residues pruned to eliminate duplicates Z: 34 39.057 2.162 1.008 0.583 0.939 0.545 CB 1.540 34 residues pruned to eliminate duplicates Z: 31 21.161 2.002 0.875 0.449 0.800 0.400 CB 1.355 31 residues pruned to eliminate duplicates Z: 126 85.334 2.264 0.887 0.656 0.920 0.712 CA 1.679 126 residues pruned to eliminate duplicates Z: 13 27.957 2.023 1.015 0.824 1.000 0.583 CA 1.495 13 residues pruned to eliminate duplicates Z: 25 12.022 1.756 0.312 0.369 0.917 0.458 CA 1.337 72 residues pruned to eliminate duplicates Z: 17 10.069 1.705 0.454 0.471 0.875 0.625 CA 1.194 Z: 10 8.969 1.736 0.185 0.773 1.000 0.667 CA 1.142 10 residues pruned to eliminate duplicates Z: 36 21.021 1.861 0.523 0.545 0.886 0.600 CB 1.354 15 residues pruned to eliminate duplicates Z: 9 11.516 1.763 0.481 0.813 1.000 0.500 CA 1.188 11 residues pruned to eliminate duplicates Z: 11 11.170 1.656 0.513 0.690 1.000 0.500 CA 1.185 9 residues pruned to eliminate duplicates Z: 14 24.611 2.174 0.840 0.911 1.000 0.769 CA 1.209 14 residues pruned to eliminate duplicates Z: 37 31.318 2.156 0.656 0.670 0.861 0.694 CA 1.452 37 residues pruned to eliminate duplicates Z: 91 63.597 2.222 0.757 0.669 0.911 0.656 CB 1.612 91 residues pruned to eliminate duplicates Z: 16 30.650 2.269 0.784 0.687 0.933 0.667 CB 1.765 16 residues pruned to eliminate duplicates Z: 78 64.525 2.269 0.842 0.676 0.922 0.636 CB 1.623 78 residues pruned to eliminate duplicates Z: 81 63.553 2.189 0.862 0.706 0.925 0.650 CA 1.563 81 residues pruned to eliminate duplicates Z: 82 66.037 2.215 0.981 0.651 0.914 0.642 CB 1.590 82 residues pruned to eliminate duplicates Z: 51 50.427 2.105 1.044 0.742 0.920 0.600 CA 1.450 51 residues pruned to eliminate duplicates Z: 93 67.188 2.182 0.901 0.695 0.913 0.630 CA 1.549 93 residues pruned to eliminate duplicates Z: 50 44.481 2.063 0.858 0.706 0.898 0.551 CB 1.530 50 residues pruned to eliminate duplicates Z: 94 58.743 2.162 0.770 0.641 0.935 0.624 CB 1.492 94 residues pruned to eliminate duplicates Z: 34 47.345 2.324 0.949 0.741 0.879 0.636 CA 1.668 34 residues pruned to eliminate duplicates Z: 32 51.851 2.363 0.881 0.787 0.968 0.548 CA 1.681 32 residues pruned to eliminate duplicates Z: 77 56.554 2.208 0.749 0.633 0.921 0.658 CB 1.610 77 residues pruned to eliminate duplicates Z: 26 32.808 2.318 0.832 0.656 0.880 0.600 CA 1.519 26 residues pruned to eliminate duplicates Z: 100 70.894 2.152 0.883 0.683 0.929 0.646 CB 1.600 100 residues pruned to eliminate duplicates Z: 92 57.639 2.119 0.809 0.645 0.879 0.593 CA 1.565 92 residues pruned to eliminate duplicates Z: 66 55.758 2.175 0.769 0.739 0.954 0.708 CA 1.521 66 residues pruned to eliminate duplicates Z: 35 37.016 2.271 0.669 0.731 0.941 0.676 CA 1.446 35 residues pruned to eliminate duplicates Z: 78 64.804 2.266 0.818 0.691 0.922 0.649 CB 1.632 78 residues pruned to eliminate duplicates Z: 113 75.019 2.191 0.851 0.688 0.929 0.598 CB 1.584 113 residues pruned to eliminate duplicates Z: 75 61.914 2.161 0.949 0.697 0.932 0.581 CA 1.532 75 residues pruned to eliminate duplicates Z: 34 46.946 2.319 0.900 0.757 0.939 0.636 CA 1.570 34 residues pruned to eliminate duplicates Z: 41 48.969 2.207 0.898 0.726 0.975 0.675 CA 1.546 41 residues pruned to eliminate duplicates Z: 68 58.273 2.220 0.987 0.638 0.910 0.552 CB 1.558 68 residues pruned to eliminate duplicates Z: 70 65.048 2.238 0.996 0.687 0.942 0.536 CB 1.568 70 residues pruned to eliminate duplicates Z: 66 55.901 2.110 0.963 0.651 0.923 0.477 CB 1.575 67 residues pruned to eliminate duplicates Z: 20 30.981 2.160 0.964 0.810 0.842 0.579 CA 1.520 20 residues pruned to eliminate duplicates Z: 93 67.390 2.256 0.909 0.639 0.891 0.576 CB 1.607 93 residues pruned to eliminate duplicates Z: 130 75.251 2.175 0.900 0.641 0.891 0.605 CB 1.577 130 residues pruned to eliminate duplicates Z: 93 76.416 2.168 1.016 0.709 0.957 0.598 CA 1.577 93 residues pruned to eliminate duplicates Z: 95 69.375 2.233 0.898 0.627 0.926 0.649 CB 1.619 95 residues pruned to eliminate duplicates Z: 92 68.300 2.201 0.798 0.700 0.945 0.692 CB 1.595 92 residues pruned to eliminate duplicates Z: 70 59.649 2.197 0.804 0.732 0.928 0.609 CA 1.585 70 residues pruned to eliminate duplicates Z: 112 60.306 2.141 0.737 0.643 0.901 0.622 CB 1.495 112 residues pruned to eliminate duplicates Z: 37 50.291 2.312 0.867 0.741 0.972 0.639 CA 1.609 37 residues pruned to eliminate duplicates Z: 12 8.371 1.748 0.203 0.494 0.909 0.545 CB 1.329 12 residues pruned to eliminate duplicates Z: 32 24.060 1.931 0.500 0.752 0.935 0.710 CB 1.274 32 residues pruned to eliminate duplicates Z: 17 12.402 1.797 0.296 0.678 0.938 0.812 CB 1.206 17 residues pruned to eliminate duplicates Z: 31 29.041 1.984 0.555 0.774 1.000 0.833 CB 1.349 31 residues pruned to eliminate duplicates Z: 13 15.695 1.841 0.368 0.866 0.917 0.917 CB 1.437 13 residues pruned to eliminate duplicates Z: 16 12.106 1.688 0.267 0.678 1.000 0.733 CB 1.240 16 residues pruned to eliminate duplicates Z: 14 16.477 1.830 0.534 0.744 1.000 0.846 CB 1.308 14 residues pruned to eliminate duplicates Z: 30 28.377 1.967 0.648 0.732 0.931 0.690 CB 1.418 32 residues pruned to eliminate duplicates Z: 12 19.633 1.922 0.601 0.872 1.000 0.636 CB 1.402 12 residues pruned to eliminate duplicates Z: 13 12.767 1.872 0.146 0.850 0.917 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 25 33.446 2.043 0.860 0.650 0.958 0.583 CB 1.631 25 residues pruned to eliminate duplicates Z: 104 79.325 2.266 0.808 0.707 0.942 0.670 CA 1.678 104 residues pruned to eliminate duplicates Z: 72 69.540 2.243 0.903 0.702 0.972 0.718 CA 1.655 72 residues pruned to eliminate duplicates Z: 87 56.706 2.136 0.691 0.635 0.942 0.674 CA 1.584 87 residues pruned to eliminate duplicates Z: 138 74.763 2.195 0.709 0.643 0.905 0.642 CA 1.647 138 residues pruned to eliminate duplicates Z: 73 62.669 2.270 0.749 0.685 0.944 0.694 CA 1.662 73 residues pruned to eliminate duplicates Z: 25 33.415 2.176 0.649 0.641 1.000 0.583 CA 1.667 25 residues pruned to eliminate duplicates Z: 27 34.483 2.090 0.667 0.678 0.962 0.615 CB 1.714 27 residues pruned to eliminate duplicates Z: 52 36.913 2.127 0.726 0.530 0.882 0.588 CB 1.549 41 residues pruned to eliminate duplicates Z: 19 35.739 2.171 0.892 0.834 0.944 0.667 CA 1.628 19 residues pruned to eliminate duplicates Z: 109 69.875 2.215 0.811 0.641 0.907 0.620 CB 1.620 109 residues pruned to eliminate duplicates Z: 28 27.835 2.081 0.695 0.634 0.852 0.519 CA 1.571 28 residues pruned to eliminate duplicates Z: 40 54.676 2.255 0.920 0.727 0.949 0.641 CA 1.737 40 residues pruned to eliminate duplicates Z: 30 32.074 2.045 0.761 0.595 0.966 0.586 CA 1.564 30 residues pruned to eliminate duplicates Z: 104 78.548 2.297 0.753 0.732 0.932 0.670 CA 1.674 104 residues pruned to eliminate duplicates Z: 35 28.364 1.943 0.763 0.569 0.912 0.588 CA 1.457 35 residues pruned to eliminate duplicates Z: 74 63.771 2.259 0.767 0.726 0.904 0.726 CA 1.687 74 residues pruned to eliminate duplicates Z: 31 32.403 2.041 0.792 0.646 0.900 0.567 CA 1.569 40 residues pruned to eliminate duplicates Z: 20 33.689 2.180 0.819 0.767 1.000 0.579 CA 1.539 20 residues pruned to eliminate duplicates Z: 148 77.445 2.212 0.807 0.614 0.912 0.585 CB 1.573 148 residues pruned to eliminate duplicates Z: 25 33.868 2.170 0.676 0.657 0.958 0.458 CA 1.715 30 residues pruned to eliminate duplicates Z: 9 16.986 1.917 0.774 0.737 0.875 0.625 C 1.631 9 residues pruned to eliminate duplicates Z: 96 72.505 2.284 0.769 0.669 0.937 0.684 CA 1.682 94 residues pruned to eliminate duplicates Z: 8 18.153 2.065 0.359 0.851 1.000 0.714 CA 1.809 8 residues pruned to eliminate duplicates Z: 41 43.943 2.204 0.700 0.710 0.925 0.475 CB 1.656 41 residues pruned to eliminate duplicates Z: 78 58.767 2.229 0.707 0.677 0.909 0.597 CA 1.645 78 residues pruned to eliminate duplicates Z: 99 78.566 2.276 0.805 0.681 0.949 0.714 CA 1.724 99 residues pruned to eliminate duplicates Z: 12 28.675 2.190 0.567 0.913 1.000 0.727 CA 1.783 12 residues pruned to eliminate duplicates Z: 123 77.810 2.256 0.754 0.658 0.934 0.656 CB 1.645 123 residues pruned to eliminate duplicates Z: 130 78.714 2.241 0.833 0.637 0.899 0.558 CB 1.650 130 residues pruned to eliminate duplicates Z: 44 52.948 2.241 0.874 0.723 0.907 0.628 CA 1.734 47 residues pruned to eliminate duplicates Z: 15 28.208 2.237 0.643 0.889 1.000 0.714 CB 1.476 15 residues pruned to eliminate duplicates Z: 72 71.007 2.292 0.818 0.738 0.958 0.761 CA 1.706 72 residues pruned to eliminate duplicates Z: 108 84.348 2.289 0.841 0.710 0.944 0.645 CB 1.694 108 residues pruned to eliminate duplicates Z: 80 69.301 2.254 0.846 0.689 0.924 0.722 CB 1.705 80 residues pruned to eliminate duplicates Z: 109 73.710 2.248 0.813 0.683 0.898 0.648 CB 1.638 109 residues pruned to eliminate duplicates Z: 138 76.545 2.185 0.816 0.627 0.920 0.599 CB 1.591 138 residues pruned to eliminate duplicates Z: 127 77.901 2.256 0.796 0.641 0.913 0.619 CB 1.645 127 residues pruned to eliminate duplicates Z: 96 75.108 2.275 0.835 0.705 0.916 0.653 CB 1.672 96 residues pruned to eliminate duplicates Z: 100 75.228 2.273 0.844 0.681 0.919 0.576 CB 1.662 100 residues pruned to eliminate duplicates Z: 108 86.850 2.285 0.891 0.717 0.944 0.692 CA 1.691 105 residues pruned to eliminate duplicates Z: 13 42.449 2.526 1.036 0.935 1.000 0.917 CA 1.660 13 residues pruned to eliminate duplicates Z: 97 80.459 2.275 0.920 0.695 0.938 0.677 CA 1.678 99 residues pruned to eliminate duplicates Z: 16 39.416 2.465 0.983 0.727 0.933 0.800 CB 1.818 16 residues pruned to eliminate duplicates Z: 77 70.239 2.271 0.841 0.696 0.934 0.671 CA 1.725 77 residues pruned to eliminate duplicates Z: 76 68.987 2.255 0.850 0.705 0.920 0.600 CB 1.722 75 residues pruned to eliminate duplicates Z: 22 33.381 2.213 0.570 0.864 1.000 0.667 CA 1.537 22 residues pruned to eliminate duplicates Z: 90 74.812 2.300 0.867 0.707 0.899 0.697 CB 1.701 90 residues pruned to eliminate duplicates Z: 114 76.719 2.250 0.825 0.653 0.912 0.628 CB 1.672 114 residues pruned to eliminate duplicates Z: 97 75.653 2.274 0.796 0.685 0.938 0.698 CA 1.702 97 residues pruned to eliminate duplicates Z: 127 73.172 2.208 0.832 0.611 0.921 0.563 CB 1.576 127 residues pruned to eliminate duplicates Z: 127 80.650 2.231 0.921 0.655 0.905 0.587 CB 1.603 127 residues pruned to eliminate duplicates Z: 103 76.413 2.238 0.866 0.679 0.922 0.686 CB 1.668 103 residues pruned to eliminate duplicates Z: 97 78.289 2.278 0.961 0.674 0.906 0.594 CB 1.681 97 residues pruned to eliminate duplicates Z: 51 54.438 2.324 0.844 0.655 0.940 0.620 CB 1.655 51 residues pruned to eliminate duplicates Z: 58 66.709 2.388 0.810 0.756 0.930 0.737 CA 1.749 58 residues pruned to eliminate duplicates Z: 124 79.821 2.228 0.911 0.641 0.919 0.634 CB 1.611 124 residues pruned to eliminate duplicates Z: 102 74.195 2.244 0.856 0.693 0.911 0.663 CB 1.631 102 residues pruned to eliminate duplicates Z: 78 59.463 2.174 0.834 0.672 0.883 0.519 CA 1.643 78 residues pruned to eliminate duplicates Z: 71 71.063 2.293 0.906 0.707 0.914 0.643 CA 1.760 71 residues pruned to eliminate duplicates Z: 133 83.989 2.246 0.838 0.663 0.909 0.629 CB 1.675 133 residues pruned to eliminate duplicates Z: 106 76.612 2.262 0.893 0.674 0.905 0.562 CA 1.643 106 residues pruned to eliminate duplicates Z: 103 65.165 2.252 0.820 0.614 0.853 0.539 CA 1.656 103 residues pruned to eliminate duplicates Z: 63 62.967 2.322 0.855 0.695 0.952 0.677 CA 1.632 63 residues pruned to eliminate duplicates Z: 108 86.656 2.285 0.929 0.697 0.953 0.664 CB 1.665 108 residues pruned to eliminate duplicates Z: 126 83.532 2.231 1.002 0.639 0.880 0.640 CB 1.669 126 residues pruned to eliminate duplicates Z: 43 50.697 2.299 0.820 0.708 0.905 0.690 CA 1.711 43 residues pruned to eliminate duplicates Z: 33 18.788 2.139 0.733 0.534 0.750 0.344 CB 1.155 33 residues pruned to eliminate duplicates Z: 127 70.338 2.174 0.796 0.648 0.913 0.603 CB 1.531 127 residues pruned to eliminate duplicates Z: 42 28.374 2.137 0.824 0.519 0.829 0.610 CB 1.346 42 residues pruned to eliminate duplicates Z: 23 17.612 2.068 0.770 0.429 0.773 0.364 CB 1.430 23 residues pruned to eliminate duplicates Z: 15 20.563 2.229 0.781 0.493 0.857 0.643 CB 1.627 15 residues pruned to eliminate duplicates Z: 22 24.368 2.124 0.826 0.470 0.952 0.571 CB 1.484 22 residues pruned to eliminate duplicates Z: 76 51.520 2.211 0.893 0.597 0.840 0.480 CB 1.541 76 residues pruned to eliminate duplicates Z: 47 39.676 1.987 0.815 0.712 0.913 0.609 CB 1.466 47 residues pruned to eliminate duplicates Z: 115 70.549 2.179 0.750 0.695 0.921 0.711 CB 1.574 115 residues pruned to eliminate duplicates Z: 45 49.578 2.175 0.780 0.793 0.932 0.682 CA 1.603 45 residues pruned to eliminate duplicates Z: 114 76.744 2.203 0.852 0.687 0.929 0.735 CB 1.604 114 residues pruned to eliminate duplicates Z: 127 66.161 2.132 0.793 0.638 0.905 0.579 CB 1.497 127 residues pruned to eliminate duplicates Z: 37 42.510 2.111 0.793 0.758 0.944 0.639 CB 1.575 37 residues pruned to eliminate duplicates Z: 22 24.826 2.141 0.561 0.703 0.857 0.667 CB 1.572 22 residues pruned to eliminate duplicates Z: 22 32.865 2.175 0.886 0.688 0.905 0.524 CA 1.627 22 residues pruned to eliminate duplicates Z: 97 63.699 2.161 0.789 0.692 0.875 0.573 CA 1.612 97 residues pruned to eliminate duplicates Z: 36 25.438 1.969 0.650 0.609 0.829 0.486 CA 1.439 36 residues pruned to eliminate duplicates Z: 67 55.343 2.145 0.790 0.729 0.955 0.636 CA 1.513 67 residues pruned to eliminate duplicates Z: 24 32.959 2.158 0.788 0.690 0.913 0.696 CA 1.638 24 residues pruned to eliminate duplicates Z: 52 39.826 2.056 0.727 0.709 0.902 0.686 CA 1.440 52 residues pruned to eliminate duplicates Z: 130 69.127 2.143 0.845 0.625 0.899 0.628 CB 1.521 130 residues pruned to eliminate duplicates Z: 22 35.105 2.195 0.798 0.682 1.000 0.810 CA 1.641 22 residues pruned to eliminate duplicates Z: 20 32.434 2.175 0.657 0.895 0.947 0.842 CA 1.561 20 residues pruned to eliminate duplicates Z: 34 35.276 2.010 0.824 0.763 0.909 0.455 CA 1.459 34 residues pruned to eliminate duplicates Z: 12 9.372 1.715 0.888 0.246 1.000 0.364 CA 1.170 Z: 6 7.144 1.643 0.965 0.390 1.000 0.800 CA 1.112 6 residues pruned to eliminate duplicates Z: 6 5.813 1.449 0.904 0.590 1.000 0.800 CA 0.864 6 residues pruned to eliminate duplicates Z: 45 20.532 1.896 0.593 0.419 0.864 0.614 CB 1.292 83 residues pruned to eliminate duplicates Z: 25 12.750 1.795 0.542 0.412 0.875 0.542 CB 1.178 12 residues pruned to eliminate duplicates Z: 14 32.421 2.187 0.944 0.806 1.000 0.692 CA 1.619 14 residues pruned to eliminate duplicates Z: 37 35.853 2.177 0.778 0.619 0.889 0.611 CA 1.552 37 residues pruned to eliminate duplicates Z: 96 81.395 2.292 0.939 0.713 0.916 0.716 CB 1.691 96 residues pruned to eliminate duplicates Z: 75 57.323 2.268 0.817 0.606 0.878 0.527 CA 1.664 75 residues pruned to eliminate duplicates Z: 83 55.645 2.198 0.798 0.600 0.915 0.573 CB 1.546 83 residues pruned to eliminate duplicates Z: 21 26.596 2.276 0.884 0.616 0.850 0.600 CB 1.462 21 residues pruned to eliminate duplicates Z: 83 58.362 2.195 0.819 0.587 0.890 0.524 CA 1.669 83 residues pruned to eliminate duplicates Z: 90 83.572 2.301 0.945 0.732 0.933 0.708 CB 1.723 90 residues pruned to eliminate duplicates Z: 74 72.773 2.317 0.999 0.724 0.904 0.630 CB 1.661 74 residues pruned to eliminate duplicates Z: 110 82.525 2.273 0.909 0.690 0.936 0.578 CB 1.636 110 residues pruned to eliminate duplicates Z: 123 85.862 2.262 0.952 0.657 0.910 0.656 CB 1.672 123 residues pruned to eliminate duplicates Z: 128 85.054 2.258 0.871 0.646 0.913 0.591 CA 1.707 128 residues pruned to eliminate duplicates Z: 128 88.750 2.272 0.901 0.672 0.937 0.630 CB 1.660 128 residues pruned to eliminate duplicates Z: 23 36.679 2.279 0.894 0.663 0.955 0.500 CA 1.633 23 residues pruned to eliminate duplicates Z: 36 36.758 2.181 0.897 0.636 0.886 0.486 CB 1.493 36 residues pruned to eliminate duplicates Z: 25 19.722 1.876 0.570 0.605 0.917 0.583 CB 1.349 11 residues pruned to eliminate duplicates Z: 12 21.703 1.962 0.670 0.919 1.000 0.909 CA 1.408 12 residues pruned to eliminate duplicates Z: 18 16.044 2.003 0.816 0.500 0.765 0.529 CB 1.398 57 residues pruned to eliminate duplicates Z: 16 13.501 2.021 0.705 0.413 0.733 0.400 CB 1.511 16 residues pruned to eliminate duplicates Z: 17 20.174 2.015 0.701 0.586 0.938 0.625 CA 1.446 17 residues pruned to eliminate duplicates Z: 17 23.023 2.026 0.772 0.611 1.000 0.438 CB 1.442 Z: 11 26.092 2.043 1.089 0.894 1.000 0.300 CA 1.387 10 residues pruned to eliminate duplicates Z: 10 29.201 2.086 1.259 0.919 1.000 0.556 CA 1.456 10 residues pruned to eliminate duplicates Z: 31 23.982 1.938 0.783 0.466 0.933 0.467 CB 1.406 19 residues pruned to eliminate duplicates Z: 12 23.125 1.929 0.903 0.925 1.000 0.545 CA 1.333 12 residues pruned to eliminate duplicates Z: 24 27.208 2.241 0.611 0.598 0.913 0.652 CB 1.567 36 residues pruned to eliminate duplicates Z: 42 29.199 2.225 0.555 0.485 0.878 0.537 CB 1.524 68 residues pruned to eliminate duplicates Z: 13 25.517 2.421 0.609 0.809 0.917 0.833 CA 1.576 13 residues pruned to eliminate duplicates Z: 16 19.099 2.320 0.588 0.569 0.800 0.600 CA 1.565 16 residues pruned to eliminate duplicates Z: 43 33.420 2.264 0.568 0.535 0.929 0.571 CB 1.512 39 residues pruned to eliminate duplicates Z: 12 23.974 2.501 0.263 0.828 1.000 0.818 CA 1.723 12 residues pruned to eliminate duplicates Z: 53 34.280 2.179 0.551 0.467 0.923 0.538 CA 1.576 45 residues pruned to eliminate duplicates Z: 13 31.395 2.324 0.881 0.876 1.000 0.583 CA 1.507 13 residues pruned to eliminate duplicates Z: 32 23.070 2.114 0.571 0.413 0.839 0.581 CB 1.629 32 residues pruned to eliminate duplicates Z: 62 35.326 2.115 0.659 0.480 0.902 0.541 CB 1.459 62 residues pruned to eliminate duplicates Z: 13 28.238 2.456 0.575 0.797 1.000 0.833 CA 1.624 13 residues pruned to eliminate duplicates Z: 21 27.590 2.354 0.565 0.593 0.900 0.650 CA 1.703 21 residues pruned to eliminate duplicates Z: 28 26.492 2.187 0.576 0.461 0.963 0.556 CA 1.599 28 residues pruned to eliminate duplicates Z: 23 22.258 2.302 0.382 0.513 0.909 0.727 CA 1.619 23 residues pruned to eliminate duplicates Z: 25 22.078 2.279 0.392 0.498 0.917 0.667 CA 1.554 25 residues pruned to eliminate duplicates Z: 30 37.087 2.194 0.958 0.760 0.862 0.586 CB 1.476 30 residues pruned to eliminate duplicates Z: 58 56.891 2.199 0.871 0.761 0.930 0.544 CB 1.561 58 residues pruned to eliminate duplicates Z: 22 43.541 2.387 1.011 0.765 0.952 0.619 CB 1.643 22 residues pruned to eliminate duplicates Z: 35 37.550 2.202 0.952 0.630 0.941 0.559 CB 1.408 35 residues pruned to eliminate duplicates Z: 32 37.347 2.160 1.067 0.717 0.903 0.581 CB 1.367 32 residues pruned to eliminate duplicates Z: 30 37.047 2.294 0.941 0.753 0.931 0.448 CB 1.325 30 residues pruned to eliminate duplicates Z: 27 19.200 2.029 0.870 0.483 0.846 0.269 CB 1.193 27 residues pruned to eliminate duplicates Z: 109 68.214 2.225 0.826 0.657 0.917 0.667 CB 1.524 109 residues pruned to eliminate duplicates Z: 37 37.252 2.153 0.886 0.666 0.917 0.417 CB 1.430 50 residues pruned to eliminate duplicates Z: 19 38.252 2.283 1.091 0.802 0.944 0.722 CB 1.535 19 residues pruned to eliminate duplicates Z: 36 33.251 2.164 1.002 0.675 0.800 0.486 CB 1.380 36 residues pruned to eliminate duplicates Z: 84 69.129 2.292 0.855 0.730 0.892 0.663 CB 1.627 86 residues pruned to eliminate duplicates Z: 16 57.227 2.429 1.505 0.905 1.000 0.600 CB 1.729 16 residues pruned to eliminate duplicates Z: 112 68.607 2.229 0.826 0.686 0.910 0.568 CB 1.482 112 residues pruned to eliminate duplicates Z: 33 42.749 2.228 1.130 0.698 0.906 0.406 CB 1.467 33 residues pruned to eliminate duplicates Z: 26 40.498 2.241 1.137 0.658 0.920 0.600 CB 1.587 26 residues pruned to eliminate duplicates Z: 32 37.704 2.182 1.110 0.727 0.903 0.258 CB 1.327 32 residues pruned to eliminate duplicates Z: 27 39.160 2.280 1.122 0.667 0.885 0.500 CB 1.537 27 residues pruned to eliminate duplicates Z: 24 42.740 2.337 1.161 0.709 0.957 0.391 CB 1.526 24 residues pruned to eliminate duplicates Z: 68 56.279 2.230 0.827 0.676 0.940 0.642 CA 1.526 68 residues pruned to eliminate duplicates Z: 89 64.886 2.235 0.854 0.696 0.920 0.568 CB 1.515 23 residues pruned to eliminate duplicates Z: 13 13.923 1.999 0.523 0.880 0.917 0.833 CA 1.044 13 residues pruned to eliminate duplicates Z: 87 42.413 2.183 0.680 0.472 0.860 0.581 CB 1.491 87 residues pruned to eliminate duplicates Z: 19 20.105 2.122 0.585 0.571 0.889 0.778 CB 1.481 19 residues pruned to eliminate duplicates Z: 44 23.771 1.982 0.522 0.462 0.907 0.558 CB 1.378 44 residues pruned to eliminate duplicates Z: 18 24.099 2.245 0.686 0.649 0.941 0.765 CA 1.429 18 residues pruned to eliminate duplicates Z: 23 22.042 2.145 0.478 0.570 0.955 0.727 CA 1.452 23 residues pruned to eliminate duplicates Z: 14 20.500 2.264 0.665 0.639 0.923 0.692 CA 1.434 14 residues pruned to eliminate duplicates Z: 55 39.489 2.199 0.715 0.469 0.926 0.593 CB 1.588 66 residues pruned to eliminate duplicates Z: 11 21.671 2.411 0.919 0.845 0.800 0.600 CA 1.376 11 residues pruned to eliminate duplicates Z: 29 29.655 2.163 0.936 0.455 0.929 0.607 CA 1.509 31 residues pruned to eliminate duplicates Z: 7 6.529 1.750 0.541 0.447 1.000 0.667 N 1.043 7 residues pruned to eliminate duplicates Z: 50 43.970 2.281 0.758 0.493 0.959 0.653 CA 1.644 50 residues pruned to eliminate duplicates Z: 15 12.264 1.981 0.769 0.274 0.929 0.500 CB 1.301 13 residues pruned to eliminate duplicates Z: 6 6.040 1.766 0.402 0.368 1.000 0.600 N 1.257 6 residues pruned to eliminate duplicates Z: 12 9.093 2.000 0.680 0.169 0.909 0.636 CB 1.341 12 residues pruned to eliminate duplicates Z: 27 27.696 2.141 0.910 0.457 0.962 0.577 CA 1.444 27 residues pruned to eliminate duplicates Z: 26 30.946 2.241 1.102 0.472 0.840 0.520 CA 1.609 26 residues pruned to eliminate duplicates Z: 25 30.471 2.262 0.950 0.444 0.917 0.542 CA 1.628 29 residues pruned to eliminate duplicates Z: 8 2.517 1.449 0.490 0.677 0.571 0.429 CB 0.656 Z: 12 10.203 1.663 0.289 0.800 1.000 0.545 CA 1.104 12 residues pruned to eliminate duplicates Z: 12 12.955 1.798 0.526 0.688 0.909 0.455 CB 1.317 12 residues pruned to eliminate duplicates Z: 10 5.123 1.787 0.126 0.367 0.778 0.556 CA 1.259 10 residues pruned to eliminate duplicates Z: 30 12.704 1.798 0.431 0.442 0.759 0.517 CB 1.283 30 residues pruned to eliminate duplicates Z: 12 9.351 1.740 0.072 0.791 1.000 0.636 CA 1.171 12 residues pruned to eliminate duplicates Z: 15 11.198 1.793 0.333 0.611 0.857 0.571 CB 1.315 15 residues pruned to eliminate duplicates Z: 10 9.809 1.897 0.104 0.883 0.889 0.778 CA 1.270 10 residues pruned to eliminate duplicates Z: 14 9.747 1.770 0.182 0.627 0.846 0.538 CB 1.354 14 residues pruned to eliminate duplicates Z: 15 10.362 1.770 0.306 0.598 0.857 0.500 CB 1.273 15 residues pruned to eliminate duplicates Z: 13 12.456 2.021 0.825 0.320 0.667 0.500 CA 1.784 13 residues pruned to eliminate duplicates Z: 12 15.218 2.097 0.885 0.421 0.818 0.545 CA 1.541 12 residues pruned to eliminate duplicates Z: 34 27.521 2.064 0.805 0.534 0.848 0.576 CB 1.466 34 residues pruned to eliminate duplicates Z: 37 26.326 2.111 0.857 0.469 0.806 0.528 CB 1.433 37 residues pruned to eliminate duplicates Z: 15 18.230 2.199 0.727 0.441 0.857 0.500 CA 1.590 15 residues pruned to eliminate duplicates Z: 31 28.219 2.096 0.860 0.500 0.867 0.433 CA 1.524 31 residues pruned to eliminate duplicates Z: 113 65.242 2.178 0.857 0.567 0.911 0.554 CB 1.569 113 residues pruned to eliminate duplicates Z: 31 36.095 2.172 1.062 0.593 0.900 0.533 CB 1.496 31 residues pruned to eliminate duplicates Z: 20 19.529 2.103 0.936 0.441 0.789 0.526 CA 1.482 20 residues pruned to eliminate duplicates Z: 48 45.630 2.262 1.132 0.587 0.809 0.468 CB 1.570 48 residues pruned to eliminate duplicates Z: 18 12.331 2.061 0.761 0.368 0.647 0.529 CA 1.468 18 residues pruned to eliminate duplicates Z: 89 54.400 2.191 0.826 0.501 0.886 0.602 CA 1.633 89 residues pruned to eliminate duplicates Z: 12 3.973 1.695 0.442 0.275 0.545 0.182 CB 1.159 12 residues pruned to eliminate duplicates Z: 66 41.475 2.151 0.685 0.468 0.892 0.523 CB 1.643 66 residues pruned to eliminate duplicates Z: 51 42.701 2.241 0.765 0.490 0.920 0.680 CA 1.676 51 residues pruned to eliminate duplicates Z: 129 81.443 2.256 0.876 0.645 0.891 0.570 CB 1.668 129 residues pruned to eliminate duplicates Z: 52 38.478 2.224 0.545 0.490 0.961 0.608 CB 1.648 52 residues pruned to eliminate duplicates Z: 47 44.780 2.310 0.784 0.531 0.957 0.674 CB 1.625 47 residues pruned to eliminate duplicates Z: 13 11.115 1.842 0.627 0.484 0.750 0.500 CB 1.450 13 residues pruned to eliminate duplicates Z: 78 53.617 2.203 0.800 0.499 0.948 0.519 CB 1.626 78 residues pruned to eliminate duplicates Z: 15 18.403 2.073 0.562 0.641 0.857 0.643 CB 1.553 15 residues pruned to eliminate duplicates Z: 51 42.022 2.305 0.606 0.516 0.960 0.680 CB 1.647 51 residues pruned to eliminate duplicates Z: 63 50.578 2.201 0.721 0.571 0.968 0.661 CA 1.636 63 residues pruned to eliminate duplicates Z: 69 43.455 2.184 0.682 0.504 0.912 0.676 CB 1.567 69 residues pruned to eliminate duplicates Z: 51 45.131 2.291 0.623 0.533 0.980 0.700 CB 1.696 51 residues pruned to eliminate duplicates Z: 53 42.378 2.238 0.686 0.493 0.942 0.712 CA 1.664 53 residues pruned to eliminate duplicates Z: 63 47.954 2.265 0.593 0.521 0.968 0.677 CA 1.708 63 residues pruned to eliminate duplicates Z: 78 50.063 2.225 0.762 0.498 0.896 0.610 CB 1.626 78 residues pruned to eliminate duplicates Z: 51 47.603 2.296 0.722 0.530 0.960 0.740 CB 1.723 51 residues pruned to eliminate duplicates Z: 66 43.664 2.231 0.657 0.511 0.908 0.600 CB 1.597 66 residues pruned to eliminate duplicates Z: 64 49.564 2.270 0.714 0.557 0.937 0.746 CB 1.622 64 residues pruned to eliminate duplicates Z: 66 47.636 2.221 0.652 0.561 0.908 0.692 CB 1.673 66 residues pruned to eliminate duplicates Z: 64 49.414 2.273 0.653 0.537 0.968 0.635 CB 1.650 64 residues pruned to eliminate duplicates Z: 79 54.544 2.252 0.776 0.533 0.910 0.615 CB 1.642 79 residues pruned to eliminate duplicates Z: 81 48.902 2.203 0.681 0.524 0.887 0.650 CB 1.625 81 residues pruned to eliminate duplicates Z: 64 47.061 2.246 0.703 0.552 0.905 0.603 CB 1.628 64 residues pruned to eliminate duplicates Z: 51 46.991 2.306 0.723 0.531 0.960 0.640 CB 1.690 51 residues pruned to eliminate duplicates Z: 53 40.889 2.231 0.612 0.532 0.942 0.654 CB 1.620 53 residues pruned to eliminate duplicates Z: 61 48.421 2.238 0.686 0.546 0.950 0.683 CB 1.667 61 residues pruned to eliminate duplicates Z: 64 50.943 2.269 0.706 0.546 0.937 0.698 CB 1.693 64 residues pruned to eliminate duplicates Z: 66 51.522 2.210 0.823 0.547 0.938 0.662 CB 1.614 66 residues pruned to eliminate duplicates Z: 65 53.505 2.267 0.786 0.527 0.984 0.734 CB 1.634 65 residues pruned to eliminate duplicates Z: 50 49.739 2.314 0.783 0.538 0.980 0.633 CB 1.695 50 residues pruned to eliminate duplicates Z: 63 48.711 2.231 0.785 0.539 0.903 0.629 CB 1.654 63 residues pruned to eliminate duplicates Z: 51 48.043 2.305 0.699 0.554 0.960 0.660 CB 1.716 51 residues pruned to eliminate duplicates Z: 68 43.483 2.214 0.638 0.529 0.910 0.716 CB 1.563 68 residues pruned to eliminate duplicates Z: 68 45.489 2.217 0.662 0.522 0.925 0.672 CB 1.595 68 residues pruned to eliminate duplicates Z: 47 54.851 2.338 0.906 0.554 0.978 0.652 CB 1.761 47 residues pruned to eliminate duplicates Z: 37 50.442 2.393 0.938 0.503 0.972 0.611 CB 1.860 37 residues pruned to eliminate duplicates Z: 50 42.624 2.302 0.601 0.535 0.939 0.694 CB 1.700 50 residues pruned to eliminate duplicates Z: 64 50.926 2.279 0.790 0.536 0.937 0.667 CB 1.620 64 residues pruned to eliminate duplicates Z: 69 50.201 2.212 0.715 0.518 0.971 0.647 CB 1.624 68 residues pruned to eliminate duplicates Z: 6 7.176 1.783 0.618 0.468 0.800 0.600 O 1.436 6 residues pruned to eliminate duplicates Z: 53 44.882 2.241 0.864 0.500 0.942 0.596 CB 1.582 53 residues pruned to eliminate duplicates Z: 6 3.637 1.878 0.502 0.285 0.800 0.600 CA 0.919 6 residues pruned to eliminate duplicates Z: 68 44.379 2.203 0.775 0.516 0.866 0.716 CB 1.577 68 residues pruned to eliminate duplicates Z: 22 19.051 2.071 0.655 0.462 0.905 0.667 CB 1.393 22 residues pruned to eliminate duplicates Z: 22 22.079 2.063 0.744 0.504 1.000 0.762 CB 1.333 22 residues pruned to eliminate duplicates Z: 64 53.070 2.256 0.783 0.561 0.968 0.698 CB 1.617 64 residues pruned to eliminate duplicates Z: 27 19.941 2.044 0.681 0.440 0.846 0.692 CB 1.431 27 residues pruned to eliminate duplicates Z: 22 22.714 2.070 0.741 0.468 0.952 0.762 CB 1.491 22 residues pruned to eliminate duplicates Z: 7 9.624 1.710 0.719 0.647 1.000 0.667 CA 1.166 7 residues pruned to eliminate duplicates Z: 26 23.076 2.088 0.698 0.471 1.000 0.720 CB 1.340 26 residues pruned to eliminate duplicates Z: 53 48.167 2.286 0.870 0.500 0.923 0.596 CB 1.692 53 residues pruned to eliminate duplicates Z: 62 53.200 2.273 0.838 0.557 0.934 0.689 CB 1.651 62 residues pruned to eliminate duplicates Z: 66 51.749 2.230 0.795 0.510 0.985 0.723 CB 1.613 66 residues pruned to eliminate duplicates Z: 30 15.643 2.019 0.439 0.417 0.793 0.655 CB 1.374 30 residues pruned to eliminate duplicates Z: 64 50.631 2.266 0.830 0.530 0.905 0.619 CB 1.650 64 residues pruned to eliminate duplicates Z: 7 10.854 1.916 0.302 0.762 1.000 0.667 CA 1.406 7 residues pruned to eliminate duplicates Z: 66 52.934 2.250 0.850 0.529 0.938 0.738 CB 1.634 66 residues pruned to eliminate duplicates Z: 63 49.114 2.232 0.815 0.539 0.952 0.597 CB 1.557 63 residues pruned to eliminate duplicates Z: 29 26.098 2.100 0.695 0.436 0.964 0.607 CB 1.535 29 residues pruned to eliminate duplicates Z: 28 19.164 2.001 0.555 0.434 0.926 0.667 CB 1.371 28 residues pruned to eliminate duplicates Z: 26 26.805 2.099 0.919 0.475 1.000 0.760 CB 1.365 26 residues pruned to eliminate duplicates Z: 49 27.201 1.925 0.714 0.566 0.854 0.542 CB 1.306 52 residues pruned to eliminate duplicates Z: 11 20.751 2.030 0.627 0.860 1.000 0.900 CA 1.461 11 residues pruned to eliminate duplicates Z: 31 21.024 1.946 0.575 0.544 0.833 0.533 CB 1.440 31 residues pruned to eliminate duplicates Z: 31 22.880 1.972 0.540 0.556 0.867 0.600 CB 1.503 31 residues pruned to eliminate duplicates Z: 11 21.637 1.912 0.820 0.855 0.900 0.700 CA 1.613 11 residues pruned to eliminate duplicates Z: 99 54.014 2.140 0.716 0.602 0.888 0.622 CB 1.519 151 residues pruned to eliminate duplicates Z: 33 17.701 1.913 0.613 0.499 0.844 0.531 CB 1.203 Z: 14 15.760 1.735 0.710 0.791 0.846 0.692 N 1.349 15 residues pruned to eliminate duplicates Z: 12 24.219 1.889 0.979 0.860 0.909 0.727 CA 1.580 13 residues pruned to eliminate duplicates Z: 17 23.754 2.049 0.608 0.734 0.938 0.562 CB 1.559 18 residues pruned to eliminate duplicates Z: 16 22.961 2.047 0.599 0.753 0.933 0.467 CB 1.549 16 residues pruned to eliminate duplicates Z: 37 18.476 1.802 0.661 0.479 0.833 0.417 CB 1.260 37 residues pruned to eliminate duplicates Z: 53 22.111 1.831 0.699 0.505 0.808 0.577 CB 1.214 40 residues pruned to eliminate duplicates Z: 7 6.764 1.538 0.366 0.673 1.000 0.833 CA 1.120 7 residues pruned to eliminate duplicates Z: 34 18.889 1.891 0.661 0.509 0.818 0.606 CB 1.267 34 residues pruned to eliminate duplicates Z: 23 21.204 1.978 0.550 0.638 0.864 0.409 CB 1.500 23 residues pruned to eliminate duplicates Z: 21 25.402 2.024 0.703 0.673 0.950 0.600 CB 1.479 21 residues pruned to eliminate duplicates Z: 24 21.279 2.023 0.460 0.647 0.870 0.609 CB 1.506 24 residues pruned to eliminate duplicates Z: 24 21.611 1.984 0.501 0.605 0.913 0.609 CB 1.500 24 residues pruned to eliminate duplicates Z: 20 31.726 2.363 0.773 0.838 0.842 0.632 CA 1.542 20 residues pruned to eliminate duplicates Z: 39 54.280 2.331 1.107 0.711 0.868 0.632 CA 1.705 39 residues pruned to eliminate duplicates Z: 26 34.934 2.217 1.054 0.664 0.920 0.680 CA 1.433 26 residues pruned to eliminate duplicates Z: 111 78.531 2.261 0.996 0.699 0.927 0.591 CB 1.492 111 residues pruned to eliminate duplicates Z: 109 76.985 2.260 0.984 0.697 0.917 0.593 CB 1.506 109 residues pruned to eliminate duplicates Z: 112 70.796 2.244 0.886 0.678 0.901 0.541 CB 1.496 112 residues pruned to eliminate duplicates Z: 76 69.287 2.247 1.043 0.703 0.933 0.613 CB 1.551 76 residues pruned to eliminate duplicates Z: 41 51.172 2.283 1.034 0.696 0.950 0.650 CA 1.533 40 residues pruned to eliminate duplicates Z: 19 32.658 2.357 0.807 0.843 0.833 0.556 CA 1.615 19 residues pruned to eliminate duplicates Z: 93 58.432 2.224 0.854 0.614 0.870 0.609 CB 1.526 93 residues pruned to eliminate duplicates Z: 74 68.848 2.251 1.020 0.705 0.932 0.589 CB 1.579 74 residues pruned to eliminate duplicates Z: 52 62.936 2.315 0.940 0.754 0.961 0.627 CB 1.629 52 residues pruned to eliminate duplicates Z: 74 72.628 2.307 0.954 0.722 0.959 0.644 CB 1.609 75 residues pruned to eliminate duplicates Z: 20 39.150 2.284 0.982 0.830 0.947 0.632 CA 1.575 20 residues pruned to eliminate duplicates Z: 12 7.407 1.970 0.409 0.350 0.909 0.455 CB 1.041 Z: 20 40.901 2.359 1.030 0.843 0.895 0.474 CA 1.631 32 residues pruned to eliminate duplicates Z: 59 60.598 2.278 0.890 0.708 0.914 0.586 CB 1.674 59 residues pruned to eliminate duplicates Z: 44 48.448 2.222 0.963 0.649 0.930 0.535 CA 1.584 44 residues pruned to eliminate duplicates Z: 80 61.543 2.203 0.959 0.630 0.899 0.544 CB 1.580 80 residues pruned to eliminate duplicates Z: 15 24.844 2.055 0.567 0.890 1.000 0.857 CA 1.484 15 residues pruned to eliminate duplicates Z: 39 25.098 1.849 0.502 0.688 1.000 0.658 CB 1.234 39 residues pruned to eliminate duplicates Z: 20 20.618 1.949 0.654 0.723 0.895 0.684 CB 1.341 24 residues pruned to eliminate duplicates Z: 18 25.464 1.824 0.815 0.884 1.000 0.765 CA 1.348 18 residues pruned to eliminate duplicates Z: 17 23.238 1.959 0.490 0.894 1.000 0.688 CB 1.428 17 residues pruned to eliminate duplicates Z: 33 23.051 1.876 0.756 0.734 0.875 0.500 CB 1.145 33 residues pruned to eliminate duplicates Z: 21 19.579 1.914 0.610 0.701 0.900 0.550 CB 1.315 21 residues pruned to eliminate duplicates Z: 32 22.874 1.914 0.541 0.737 0.935 0.581 CB 1.204 32 residues pruned to eliminate duplicates Z: 28 16.942 1.924 0.460 0.606 0.852 0.667 CB 1.232 28 residues pruned to eliminate duplicates Z: 39 22.182 1.814 0.672 0.723 0.921 0.632 CB 1.053 33 residues pruned to eliminate duplicates Z: 17 28.653 1.945 0.868 0.915 0.938 0.688 CB 1.487 17 residues pruned to eliminate duplicates Z: 32 28.229 1.948 0.682 0.749 0.968 0.710 CB 1.280 32 residues pruned to eliminate duplicates Z: 20 25.231 1.958 0.891 0.773 0.947 0.737 CB 1.296 20 residues pruned to eliminate duplicates Z: 32 27.856 1.970 0.681 0.756 0.935 0.742 CB 1.286 32 residues pruned to eliminate duplicates Z: 7 6.830 1.594 0.413 0.557 1.000 0.667 CB 1.171 691 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 22 D: 30 E: 175 F: 189 G: 43 H: 97 I: 44 J: 76 CC for partial structure against native data = 38.64 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.594, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.677, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.811, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.825, Connect. = 0.783 for dens.mod. cycle 4 = 0.300, Contrast = 0.838, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.841, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.845, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.845, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.845, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.844, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4244 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 965 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 33.117 2.300 0.829 0.889 1.000 0.692 CA 1.572 B: 15 27.739 2.152 0.652 0.802 1.000 0.571 CB 1.603 C: 14 35.256 2.283 0.891 0.904 1.000 0.923 CA 1.614 D: 14 33.408 2.310 0.872 0.895 1.000 0.923 CA 1.536 14 residues pruned to eliminate duplicates E: 19 35.135 2.315 0.780 0.780 1.000 0.722 CA 1.570 F: 14 33.147 2.282 0.881 0.854 0.923 0.846 CA 1.714 15 residues pruned to eliminate duplicates G: 19 42.968 2.352 1.050 0.819 0.944 0.667 CB 1.686 19 residues pruned to eliminate duplicates H: 178 108.131 2.320 0.966 0.622 0.938 0.644 CA 1.693 14 residues pruned to eliminate duplicates I: 13 32.641 2.304 0.730 0.849 1.000 0.833 CA 1.752 13 residues pruned to eliminate duplicates J: 18 36.025 2.393 0.751 0.856 0.941 0.824 CB 1.634 18 residues pruned to eliminate duplicates K: 20 22.636 2.255 0.904 0.452 0.789 0.421 CB 1.610 L: 12 24.146 2.186 0.853 0.814 0.909 0.727 CB 1.505 M: 10 25.735 2.422 0.544 0.914 1.000 0.889 CB 1.622 11 residues pruned to eliminate duplicates N: 14 31.998 2.398 0.947 0.892 1.000 0.846 CB 1.365 14 residues pruned to eliminate duplicates O: 11 39.543 2.520 1.136 0.896 0.900 0.500 CA 1.849 11 residues pruned to eliminate duplicates P: 15 28.574 2.254 0.658 0.904 0.929 0.786 CB 1.568 15 residues pruned to eliminate duplicates Q: 13 34.353 2.400 0.688 0.935 1.000 1.000 CA 1.705 14 residues pruned to eliminate duplicates R: 6 14.965 2.309 0.428 0.856 1.000 1.000 CB 1.497 6 residues pruned to eliminate duplicates S: 12 34.485 2.280 0.932 0.922 0.909 0.636 CB 1.827 12 residues pruned to eliminate duplicates T: 12 24.629 2.234 0.705 0.920 0.909 0.818 CB 1.511 11 residues pruned to eliminate duplicates U: 13 39.073 2.365 1.256 0.904 1.000 0.750 CB 1.506 13 residues pruned to eliminate duplicates V: 13 34.047 2.257 0.664 0.887 1.000 0.833 CB 1.886 13 residues pruned to eliminate duplicates W: 17 40.244 2.412 1.234 0.868 0.875 0.688 CB 1.560 17 residues pruned to eliminate duplicates X: 14 34.593 2.282 0.936 0.883 1.000 0.923 CB 1.570 14 residues pruned to eliminate duplicates Y: 13 38.534 2.230 0.831 0.928 1.000 0.750 CA 1.907 13 residues pruned to eliminate duplicates Z: 13 34.450 2.385 0.778 0.879 1.000 0.917 CB 1.700 Z: 8 7.263 1.693 0.166 0.795 0.857 0.857 CB 1.253 Z: 21 40.381 2.277 0.908 0.871 0.900 0.550 CA 1.685 21 residues pruned to eliminate duplicates Z: 13 31.696 2.185 0.782 0.863 0.917 0.583 CB 1.882 13 residues pruned to eliminate duplicates Z: 21 40.672 2.255 0.994 0.849 0.950 0.650 CA 1.578 Z: 12 29.248 2.325 0.898 0.864 0.909 0.545 CB 1.612 12 residues pruned to eliminate duplicates Z: 20 21.515 2.081 0.229 0.893 0.947 0.895 CA 1.462 Z: 21 26.326 2.152 0.989 0.473 0.950 0.600 CB 1.488 20 residues pruned to eliminate duplicates Z: 15 39.888 2.335 1.082 0.898 1.000 0.786 CB 1.568 15 residues pruned to eliminate duplicates Z: 17 44.331 2.385 1.072 0.903 1.000 0.812 CB 1.599 17 residues pruned to eliminate duplicates Z: 24 30.827 2.067 0.765 0.807 0.913 0.565 CA 1.475 24 residues pruned to eliminate duplicates Z: 13 34.126 2.367 1.041 0.911 0.917 0.333 CB 1.576 13 residues pruned to eliminate duplicates Z: 25 18.254 2.038 0.625 0.389 0.875 0.458 CA 1.446 25 residues pruned to eliminate duplicates Z: 54 47.006 2.277 0.760 0.523 0.962 0.660 CB 1.637 40 residues pruned to eliminate duplicates Z: 15 22.331 2.178 0.434 0.898 1.000 0.857 CA 1.368 15 residues pruned to eliminate duplicates Z: 15 27.027 2.230 0.781 0.789 0.929 0.714 CB 1.519 15 residues pruned to eliminate duplicates Z: 21 36.434 2.280 0.669 0.876 0.950 0.700 CA 1.639 21 residues pruned to eliminate duplicates Z: 127 79.430 2.263 0.837 0.670 0.897 0.651 CA 1.622 66 residues pruned to eliminate duplicates Z: 13 32.574 2.223 0.664 0.898 1.000 0.667 CA 1.819 13 residues pruned to eliminate duplicates Z: 15 30.320 2.314 1.098 0.889 0.786 0.500 CB 1.530 15 residues pruned to eliminate duplicates Z: 12 33.178 2.317 0.909 0.907 1.000 0.455 CB 1.608 12 residues pruned to eliminate duplicates Z: 23 35.598 2.131 1.080 0.829 0.864 0.455 CA 1.493 23 residues pruned to eliminate duplicates Z: 13 36.494 2.167 1.018 0.911 0.917 0.667 N 1.863 13 residues pruned to eliminate duplicates Z: 13 26.776 2.154 0.560 0.898 1.000 1.000 CA 1.646 Z: 17 29.605 2.155 1.065 0.887 0.812 0.312 CA 1.476 17 residues pruned to eliminate duplicates Z: 20 35.172 2.351 0.843 0.841 0.895 0.474 CA 1.552 20 residues pruned to eliminate duplicates Z: 11 33.404 2.550 0.813 0.918 0.900 0.700 CA 1.791 11 residues pruned to eliminate duplicates Z: 13 11.633 1.872 0.613 0.422 0.833 0.583 CA 1.447 Z: 13 23.273 2.119 0.729 0.873 0.917 0.667 CB 1.457 Z: 20 35.690 2.298 0.858 0.844 0.947 0.632 CA 1.505 20 residues pruned to eliminate duplicates Z: 15 32.052 2.304 0.702 0.933 1.000 1.000 CB 1.524 15 residues pruned to eliminate duplicates Z: 15 27.808 2.203 0.984 0.862 0.857 0.714 CA 1.457 15 residues pruned to eliminate duplicates Z: 23 39.224 2.193 0.884 0.869 0.909 0.500 CA 1.626 23 residues pruned to eliminate duplicates Z: 12 26.526 2.262 0.642 0.905 1.000 1.000 CA 1.532 Z: 11 30.257 2.461 1.002 0.850 0.800 0.500 CB 1.799 11 residues pruned to eliminate duplicates Z: 13 30.847 2.235 0.951 0.834 1.000 0.750 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 22.178 2.433 0.308 0.825 1.000 0.909 CA 1.586 Z: 14 17.597 2.076 0.500 0.808 0.923 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 124 79.010 2.262 0.822 0.654 0.919 0.593 CB 1.631 124 residues pruned to eliminate duplicates Z: 13 35.615 2.185 0.946 0.909 1.000 0.833 CA 1.716 13 residues pruned to eliminate duplicates Z: 7 7.636 1.899 0.403 0.667 0.833 0.833 CA 1.203 7 residues pruned to eliminate duplicates Z: 19 30.981 2.212 0.934 0.811 0.889 0.667 CA 1.464 19 residues pruned to eliminate duplicates Z: 14 25.568 2.243 0.801 0.790 0.923 0.692 CA 1.474 14 residues pruned to eliminate duplicates Z: 13 34.180 2.381 0.828 0.862 1.000 0.583 CA 1.664 13 residues pruned to eliminate duplicates Z: 15 26.072 2.232 0.603 0.759 0.929 0.857 CB 1.666 15 residues pruned to eliminate duplicates Z: 14 22.880 2.251 0.369 0.917 1.000 0.923 CA 1.453 14 residues pruned to eliminate duplicates Z: 13 31.719 2.486 0.981 0.782 0.833 0.750 CA 1.740 12 residues pruned to eliminate duplicates Z: 6 11.358 1.893 0.581 0.877 1.000 1.000 CA 1.233 6 residues pruned to eliminate duplicates Z: 13 23.722 2.051 0.776 0.875 0.917 0.667 CA 1.491 13 residues pruned to eliminate duplicates Z: 14 33.677 2.061 0.958 0.903 1.000 0.923 CA 1.649 13 residues pruned to eliminate duplicates Z: 10 15.122 1.914 0.390 0.876 1.000 0.778 CA 1.377 10 residues pruned to eliminate duplicates Z: 66 53.834 2.310 0.723 0.526 0.969 0.708 CA 1.687 66 residues pruned to eliminate duplicates Z: 53 23.656 1.901 0.551 0.452 0.865 0.615 CB 1.351 Z: 15 30.426 2.286 0.817 0.879 1.000 0.929 CB 1.419 15 residues pruned to eliminate duplicates Z: 7 4.118 2.006 0.279 0.473 0.833 0.500 CB 0.808 4 residues pruned to eliminate duplicates Z: 15 32.852 2.169 1.056 0.813 1.000 0.714 CA 1.500 14 residues pruned to eliminate duplicates Z: 13 41.656 2.399 1.123 0.858 1.000 0.833 CB 1.739 15 residues pruned to eliminate duplicates Z: 27 29.536 2.189 0.763 0.510 0.962 0.692 CB 1.546 23 residues pruned to eliminate duplicates Z: 14 23.958 2.277 0.649 0.798 0.846 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 14 33.685 2.305 1.047 0.794 1.000 0.615 CA 1.530 14 residues pruned to eliminate duplicates Z: 18 28.993 2.240 0.604 0.840 0.941 0.882 CA 1.552 18 residues pruned to eliminate duplicates Z: 15 32.295 2.305 1.000 0.926 1.000 0.786 CB 1.313 15 residues pruned to eliminate duplicates Z: 13 26.769 2.382 0.817 0.894 1.000 0.917 CA 1.281 13 residues pruned to eliminate duplicates Z: 19 35.784 2.197 0.918 0.836 0.944 0.722 CA 1.587 19 residues pruned to eliminate duplicates Z: 70 44.752 2.258 0.711 0.462 0.899 0.580 CB 1.614 59 residues pruned to eliminate duplicates Z: 14 36.807 2.173 0.988 0.891 0.923 0.692 CB 1.841 14 residues pruned to eliminate duplicates Z: 14 21.952 2.281 0.576 0.767 0.923 0.615 CA 1.448 14 residues pruned to eliminate duplicates Z: 13 29.751 2.149 0.765 0.923 1.000 0.917 CA 1.591 13 residues pruned to eliminate duplicates Z: 179 85.774 2.218 0.825 0.595 0.904 0.522 CB 1.605 216 residues pruned to eliminate duplicates Z: 19 32.531 2.176 0.822 0.829 0.889 0.500 CB 1.636 21 residues pruned to eliminate duplicates Z: 12 25.884 2.394 0.435 0.913 1.000 0.909 CB 1.607 12 residues pruned to eliminate duplicates Z: 20 42.972 2.267 1.116 0.818 0.895 0.316 CA 1.742 20 residues pruned to eliminate duplicates Z: 18 25.429 2.174 0.397 0.828 0.941 0.882 CA 1.626 18 residues pruned to eliminate duplicates Z: 20 36.039 2.283 0.786 0.884 0.895 0.895 CA 1.637 20 residues pruned to eliminate duplicates Z: 17 45.694 2.341 1.531 0.900 0.875 0.500 CB 1.574 18 residues pruned to eliminate duplicates Z: 18 30.762 2.208 0.814 0.838 0.941 0.412 CB 1.479 18 residues pruned to eliminate duplicates Z: 11 32.664 2.564 0.570 0.919 1.000 0.800 CA 1.809 11 residues pruned to eliminate duplicates Z: 14 26.578 2.223 0.788 0.853 0.923 0.692 CA 1.485 14 residues pruned to eliminate duplicates Z: 19 23.193 2.175 0.299 0.829 0.944 0.833 CA 1.541 19 residues pruned to eliminate duplicates Z: 106 78.144 2.241 1.006 0.661 0.924 0.571 CB 1.582 106 residues pruned to eliminate duplicates Z: 13 18.531 2.082 0.394 0.839 1.000 0.500 CA 1.377 13 residues pruned to eliminate duplicates Z: 14 29.431 2.322 0.651 0.922 0.923 0.923 CA 1.623 14 residues pruned to eliminate duplicates Z: 15 20.245 2.017 0.885 0.783 0.929 0.786 CA 1.195 15 residues pruned to eliminate duplicates Z: 19 30.638 2.225 0.699 0.892 0.889 0.833 CA 1.543 Z: 12 28.837 2.103 0.983 0.912 1.000 0.545 CB 1.476 12 residues pruned to eliminate duplicates Z: 21 32.504 2.204 0.856 0.839 0.900 0.650 CA 1.475 21 residues pruned to eliminate duplicates Z: 13 29.419 2.478 0.752 0.731 1.000 0.583 CA 1.590 13 residues pruned to eliminate duplicates Z: 19 27.426 2.256 0.956 0.639 0.889 0.611 CA 1.447 19 residues pruned to eliminate duplicates Z: 17 46.343 2.326 1.388 0.881 1.000 0.562 CB 1.510 17 residues pruned to eliminate duplicates Z: 129 78.218 2.242 0.916 0.665 0.922 0.586 CB 1.498 63 residues pruned to eliminate duplicates Z: 12 28.666 2.188 1.042 0.852 1.000 0.818 CA 1.431 12 residues pruned to eliminate duplicates Z: 12 24.425 2.224 1.030 0.915 1.000 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 115 70.827 2.253 0.862 0.667 0.886 0.570 CB 1.529 115 residues pruned to eliminate duplicates Z: 12 28.936 2.371 0.678 0.896 1.000 0.909 CA 1.570 12 residues pruned to eliminate duplicates Z: 19 41.283 2.355 1.198 0.791 0.944 0.556 CB 1.542 19 residues pruned to eliminate duplicates Z: 13 29.394 2.104 0.862 0.897 0.917 0.667 CB 1.691 13 residues pruned to eliminate duplicates Z: 21 26.768 2.233 0.504 0.881 0.950 0.850 CA 1.359 21 residues pruned to eliminate duplicates Z: 12 21.853 1.967 0.932 0.899 1.000 0.909 CA 1.239 Z: 13 21.936 2.313 0.435 0.911 0.917 0.833 CA 1.475 13 residues pruned to eliminate duplicates Z: 13 16.856 1.875 0.492 0.881 0.917 0.667 CA 1.374 13 residues pruned to eliminate duplicates Z: 12 14.841 2.025 0.256 0.839 1.000 0.727 CA 1.313 11 residues pruned to eliminate duplicates Z: 21 33.558 2.120 0.922 0.781 0.950 0.450 CA 1.513 21 residues pruned to eliminate duplicates Z: 19 50.613 2.327 1.504 0.858 0.944 0.500 CB 1.597 19 residues pruned to eliminate duplicates Z: 12 23.579 2.168 0.738 0.899 0.909 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 13 34.219 2.347 0.976 0.834 0.917 0.750 CA 1.742 13 residues pruned to eliminate duplicates Z: 55 31.404 2.186 0.705 0.418 0.870 0.593 CB 1.434 55 residues pruned to eliminate duplicates Z: 22 24.618 2.168 0.504 0.796 0.857 0.762 CA 1.483 22 residues pruned to eliminate duplicates Z: 135 85.962 2.289 0.883 0.629 0.903 0.560 CB 1.690 135 residues pruned to eliminate duplicates Z: 12 11.359 1.967 0.149 0.858 0.909 0.727 CB 1.228 Z: 119 77.127 2.275 0.883 0.670 0.915 0.619 CB 1.547 119 residues pruned to eliminate duplicates Z: 9 11.962 1.906 0.865 0.537 0.875 0.750 CB 1.311 Z: 64 52.386 2.326 0.691 0.539 0.968 0.730 CB 1.668 64 residues pruned to eliminate duplicates Z: 20 32.973 2.231 0.774 0.866 0.947 0.474 CA 1.476 20 residues pruned to eliminate duplicates Z: 21 30.163 2.230 0.651 0.872 0.950 0.750 CA 1.405 21 residues pruned to eliminate duplicates Z: 18 30.818 2.294 0.446 0.841 1.000 0.824 CB 1.680 18 residues pruned to eliminate duplicates Z: 42 34.058 2.113 0.807 0.558 0.927 0.512 CB 1.420 41 residues pruned to eliminate duplicates Z: 14 34.409 2.145 0.813 0.890 1.000 0.846 CB 1.766 14 residues pruned to eliminate duplicates Z: 14 29.088 2.194 0.825 0.855 1.000 0.538 CB 1.487 14 residues pruned to eliminate duplicates Z: 13 25.246 2.187 0.721 0.877 1.000 0.750 CA 1.406 13 residues pruned to eliminate duplicates Z: 10 15.987 1.945 0.497 0.846 1.000 0.778 CB 1.359 9 residues pruned to eliminate duplicates Z: 19 24.655 2.165 0.572 0.795 0.944 0.722 CA 1.396 19 residues pruned to eliminate duplicates Z: 13 41.758 2.442 1.238 0.915 1.000 0.583 CB 1.558 13 residues pruned to eliminate duplicates Z: 13 29.840 2.236 0.836 0.871 1.000 0.917 CA 1.531 13 residues pruned to eliminate duplicates Z: 20 47.299 2.239 1.332 0.864 0.947 0.684 CA 1.609 20 residues pruned to eliminate duplicates Z: 12 24.921 2.248 0.643 0.903 1.000 0.818 CA 1.450 12 residues pruned to eliminate duplicates Z: 21 34.239 2.246 0.871 0.847 0.950 0.700 CA 1.424 21 residues pruned to eliminate duplicates Z: 13 37.714 2.386 0.894 0.915 1.000 1.000 CA 1.702 13 residues pruned to eliminate duplicates Z: 20 33.947 2.092 0.928 0.878 0.947 0.737 CA 1.479 20 residues pruned to eliminate duplicates Z: 13 29.413 2.267 0.776 0.846 1.000 0.833 CA 1.567 13 residues pruned to eliminate duplicates Z: 101 85.344 2.320 0.939 0.696 0.940 0.630 CA 1.688 100 residues pruned to eliminate duplicates Z: 11 25.952 2.421 0.641 0.853 0.900 0.700 CB 1.696 11 residues pruned to eliminate duplicates Z: 12 31.563 2.544 0.669 0.887 0.909 0.818 CA 1.778 12 residues pruned to eliminate duplicates Z: 22 30.247 2.114 0.745 0.875 0.905 0.667 CA 1.438 22 residues pruned to eliminate duplicates Z: 12 22.957 2.134 0.654 0.836 1.000 0.727 CA 1.468 12 residues pruned to eliminate duplicates Z: 14 23.948 1.977 0.676 0.917 0.923 0.846 CA 1.533 14 residues pruned to eliminate duplicates Z: 19 33.879 2.328 0.834 0.858 0.833 0.500 CB 1.654 19 residues pruned to eliminate duplicates Z: 14 25.290 2.174 0.730 0.805 0.923 0.692 CB 1.548 14 residues pruned to eliminate duplicates Z: 36 35.715 2.222 0.829 0.693 0.914 0.657 CB 1.362 36 residues pruned to eliminate duplicates Z: 44 26.069 2.025 0.553 0.551 0.837 0.628 CB 1.436 50 residues pruned to eliminate duplicates Z: 6 9.506 1.475 0.903 0.836 1.000 0.800 CA 1.133 6 residues pruned to eliminate duplicates Z: 13 27.136 2.399 0.780 0.840 0.917 0.750 CB 1.494 13 residues pruned to eliminate duplicates Z: 13 23.047 2.438 0.514 0.768 1.000 0.833 CA 1.422 13 residues pruned to eliminate duplicates Z: 20 36.479 2.176 0.988 0.837 0.895 0.421 CB 1.617 20 residues pruned to eliminate duplicates Z: 15 24.243 2.164 0.601 0.877 0.857 0.714 CA 1.584 15 residues pruned to eliminate duplicates Z: 12 15.889 2.214 0.852 0.820 0.818 0.636 CB 1.082 12 residues pruned to eliminate duplicates Z: 11 16.464 1.960 0.436 0.842 1.000 0.600 CB 1.378 11 residues pruned to eliminate duplicates Z: 12 33.861 2.517 0.783 0.879 1.000 0.909 CA 1.650 12 residues pruned to eliminate duplicates Z: 19 30.135 2.201 0.737 0.826 0.944 0.611 CA 1.483 19 residues pruned to eliminate duplicates Z: 12 24.490 2.379 0.543 0.839 1.000 0.818 CA 1.502 12 residues pruned to eliminate duplicates Z: 12 10.134 1.930 1.024 0.263 0.909 0.545 CB 1.128 12 residues pruned to eliminate duplicates Z: 22 20.472 2.133 0.156 0.844 0.905 0.810 CA 1.490 22 residues pruned to eliminate duplicates Z: 13 21.109 2.067 0.555 0.899 1.000 0.917 CA 1.355 13 residues pruned to eliminate duplicates Z: 10 21.737 2.125 0.538 0.932 1.000 0.889 CA 1.548 10 residues pruned to eliminate duplicates Z: 14 30.408 2.168 0.782 0.858 1.000 0.846 CB 1.607 14 residues pruned to eliminate duplicates Z: 14 34.513 2.251 0.987 0.926 1.000 0.615 CB 1.501 14 residues pruned to eliminate duplicates Z: 20 34.010 2.247 0.893 0.812 0.895 0.421 CA 1.563 20 residues pruned to eliminate duplicates Z: 12 37.599 2.274 1.034 0.908 0.909 0.636 CB 1.915 12 residues pruned to eliminate duplicates Z: 18 22.676 1.918 0.728 0.811 1.000 0.706 CB 1.265 Z: 20 20.559 2.024 0.249 0.840 0.947 0.789 CA 1.469 20 residues pruned to eliminate duplicates Z: 19 37.398 2.196 0.979 0.867 0.889 0.667 CB 1.669 19 residues pruned to eliminate duplicates Z: 112 77.016 2.268 0.783 0.690 0.928 0.640 CA 1.637 112 residues pruned to eliminate duplicates Z: 14 29.008 2.252 0.796 0.811 1.000 0.769 CA 1.517 14 residues pruned to eliminate duplicates Z: 7 16.110 1.999 1.018 0.800 0.833 0.833 N 1.506 7 residues pruned to eliminate duplicates Z: 119 57.369 2.106 0.796 0.581 0.856 0.602 CB 1.509 119 residues pruned to eliminate duplicates Z: 19 28.580 2.175 0.535 0.819 1.000 0.722 CA 1.530 19 residues pruned to eliminate duplicates Z: 11 35.767 2.377 1.086 0.898 1.000 0.800 CB 1.631 11 residues pruned to eliminate duplicates Z: 11 15.279 1.857 0.478 0.861 0.800 0.700 CA 1.616 11 residues pruned to eliminate duplicates Z: 14 24.381 2.243 0.606 0.810 0.923 0.846 CA 1.553 14 residues pruned to eliminate duplicates Z: 13 35.312 2.294 1.019 0.903 1.000 0.750 CB 1.569 13 residues pruned to eliminate duplicates Z: 14 20.018 2.040 0.827 0.837 0.846 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 12 20.521 2.322 0.441 0.821 1.000 0.818 CA 1.399 12 residues pruned to eliminate duplicates Z: 11 21.385 2.032 0.692 0.898 1.000 0.500 CA 1.407 11 residues pruned to eliminate duplicates Z: 17 35.127 2.329 0.633 0.905 1.000 0.938 CB 1.644 17 residues pruned to eliminate duplicates Z: 14 29.812 2.256 0.908 0.778 0.923 0.692 CA 1.627 14 residues pruned to eliminate duplicates Z: 14 33.670 2.279 1.070 0.796 0.923 0.385 CB 1.655 14 residues pruned to eliminate duplicates Z: 13 32.508 2.255 0.791 0.866 1.000 0.833 CA 1.702 13 residues pruned to eliminate duplicates Z: 12 13.480 1.878 0.333 0.917 1.000 0.818 CA 1.146 12 residues pruned to eliminate duplicates Z: 35 26.343 2.039 0.751 0.467 0.971 0.618 CA 1.349 31 residues pruned to eliminate duplicates Z: 39 23.922 1.808 0.795 0.640 0.895 0.605 CB 1.172 19 residues pruned to eliminate duplicates Z: 21 18.826 2.000 0.908 0.455 0.850 0.600 CB 1.359 21 residues pruned to eliminate duplicates Z: 13 29.257 2.244 0.668 0.884 1.000 0.750 CA 1.631 13 residues pruned to eliminate duplicates Z: 6 4.564 1.864 0.050 0.731 0.800 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 19 25.671 2.164 0.546 0.751 0.889 0.611 CA 1.627 19 residues pruned to eliminate duplicates Z: 11 24.514 2.345 0.558 0.828 1.000 0.600 CA 1.598 11 residues pruned to eliminate duplicates Z: 13 39.155 2.397 1.034 0.888 1.000 0.750 CA 1.671 13 residues pruned to eliminate duplicates Z: 35 19.966 1.975 0.524 0.481 0.824 0.559 CB 1.409 38 residues pruned to eliminate duplicates Z: 19 34.680 2.210 0.728 0.892 0.944 0.833 CA 1.629 20 residues pruned to eliminate duplicates Z: 20 23.056 2.111 0.318 0.847 0.895 0.579 CA 1.577 20 residues pruned to eliminate duplicates Z: 126 83.800 2.270 0.901 0.681 0.896 0.592 CA 1.640 125 residues pruned to eliminate duplicates Z: 13 21.871 2.093 0.706 0.897 0.833 0.667 CA 1.519 13 residues pruned to eliminate duplicates Z: 12 15.214 2.307 0.213 0.893 0.909 0.818 CA 1.294 12 residues pruned to eliminate duplicates Z: 12 15.804 1.854 0.369 0.901 1.000 0.727 CA 1.340 12 residues pruned to eliminate duplicates Z: 7 11.326 1.753 0.817 0.882 1.000 0.833 CA 1.050 7 residues pruned to eliminate duplicates Z: 10 9.524 1.444 0.583 0.716 1.000 0.556 CA 1.142 10 residues pruned to eliminate duplicates Z: 15 20.663 2.018 0.631 0.761 0.929 0.643 CA 1.433 15 residues pruned to eliminate duplicates Z: 12 7.795 1.897 0.751 0.448 0.727 0.545 CB 1.026 11 residues pruned to eliminate duplicates Z: 96 73.157 2.246 0.794 0.703 0.958 0.705 CA 1.616 96 residues pruned to eliminate duplicates Z: 9 15.936 2.097 0.580 0.864 0.875 0.875 CB 1.425 9 residues pruned to eliminate duplicates Z: 12 16.979 2.264 0.135 0.921 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 17 18.248 2.092 0.709 0.562 0.812 0.438 CA 1.479 17 residues pruned to eliminate duplicates Z: 13 30.845 2.343 0.798 0.879 0.917 0.833 CA 1.672 13 residues pruned to eliminate duplicates Z: 20 38.934 2.286 0.935 0.875 0.947 0.579 CA 1.549 20 residues pruned to eliminate duplicates Z: 14 36.793 2.356 1.304 0.891 1.000 0.615 CB 1.352 14 residues pruned to eliminate duplicates Z: 15 21.651 2.135 0.802 0.773 0.857 0.786 CA 1.378 15 residues pruned to eliminate duplicates Z: 37 34.287 2.111 0.827 0.694 0.833 0.583 CB 1.489 37 residues pruned to eliminate duplicates Z: 12 33.005 2.141 0.850 0.903 1.000 0.727 CA 1.791 12 residues pruned to eliminate duplicates Z: 21 31.657 2.234 0.788 0.876 0.850 0.700 CA 1.515 21 residues pruned to eliminate duplicates Z: 14 19.314 1.933 0.750 0.820 1.000 0.692 CA 1.199 14 residues pruned to eliminate duplicates Z: 19 19.034 2.076 0.244 0.873 0.833 0.667 CA 1.518 19 residues pruned to eliminate duplicates Z: 18 29.565 2.200 0.735 0.855 0.941 0.882 CA 1.473 18 residues pruned to eliminate duplicates Z: 13 29.337 2.188 0.628 0.905 1.000 1.000 CA 1.693 13 residues pruned to eliminate duplicates Z: 127 78.058 2.244 0.878 0.642 0.897 0.587 CB 1.612 127 residues pruned to eliminate duplicates Z: 6 9.239 1.971 0.632 0.702 0.800 0.800 CB 1.335 6 residues pruned to eliminate duplicates Z: 12 38.065 2.297 1.215 0.899 1.000 0.636 CA 1.613 12 residues pruned to eliminate duplicates Z: 12 13.394 1.924 0.137 0.932 1.000 0.909 CB 1.289 12 residues pruned to eliminate duplicates Z: 43 34.509 2.088 0.737 0.588 0.929 0.690 CB 1.453 90 residues pruned to eliminate duplicates Z: 19 40.071 2.228 1.054 0.844 0.944 0.556 CB 1.626 19 residues pruned to eliminate duplicates Z: 14 34.691 2.276 0.879 0.919 1.000 0.846 CA 1.585 14 residues pruned to eliminate duplicates Z: 76 75.795 2.362 0.989 0.705 0.947 0.600 CB 1.632 76 residues pruned to eliminate duplicates Z: 11 19.375 1.913 0.649 0.906 1.000 1.000 CB 1.382 11 residues pruned to eliminate duplicates Z: 19 29.124 2.201 0.551 0.822 0.944 0.778 CB 1.610 19 residues pruned to eliminate duplicates Z: 71 38.573 2.220 0.632 0.418 0.871 0.529 CA 1.591 71 residues pruned to eliminate duplicates Z: 14 36.337 2.382 1.229 0.877 0.923 0.538 CB 1.493 14 residues pruned to eliminate duplicates Z: 12 19.267 1.870 0.340 0.925 1.000 0.727 CB 1.627 Z: 22 31.910 2.114 0.983 0.830 0.952 0.714 CA 1.311 22 residues pruned to eliminate duplicates Z: 18 50.931 2.357 1.340 0.886 1.000 0.412 CB 1.616 18 residues pruned to eliminate duplicates Z: 96 49.844 2.194 0.804 0.471 0.895 0.495 CB 1.486 96 residues pruned to eliminate duplicates Z: 12 34.360 2.480 0.832 0.883 1.000 0.909 CA 1.649 12 residues pruned to eliminate duplicates Z: 128 78.937 2.256 0.907 0.646 0.882 0.614 CA 1.610 128 residues pruned to eliminate duplicates Z: 135 71.942 2.228 0.813 0.626 0.903 0.612 CB 1.513 135 residues pruned to eliminate duplicates Z: 21 30.113 2.248 0.687 0.809 0.900 0.750 CA 1.507 21 residues pruned to eliminate duplicates Z: 22 24.718 2.143 0.713 0.842 0.810 0.714 CA 1.352 22 residues pruned to eliminate duplicates Z: 11 16.918 1.991 0.334 0.927 1.000 0.900 CA 1.411 11 residues pruned to eliminate duplicates Z: 6 5.028 1.600 0.122 0.595 1.000 0.600 CA 1.144 Z: 10 22.166 2.077 1.124 0.813 1.000 0.778 CA 1.276 10 residues pruned to eliminate duplicates Z: 18 38.327 2.282 0.836 0.847 1.000 0.647 CA 1.646 18 residues pruned to eliminate duplicates Z: 13 9.009 1.842 0.469 0.301 0.917 0.333 CB 1.309 13 residues pruned to eliminate duplicates Z: 16 22.474 2.057 0.779 0.744 0.933 0.667 CA 1.366 16 residues pruned to eliminate duplicates Z: 18 17.853 1.911 0.399 0.837 0.882 0.824 CB 1.373 18 residues pruned to eliminate duplicates Z: 17 21.683 1.899 0.628 0.841 0.938 0.688 CB 1.395 17 residues pruned to eliminate duplicates Z: 77 40.172 2.050 0.614 0.551 0.921 0.618 CB 1.438 65 residues pruned to eliminate duplicates Z: 36 35.040 2.256 0.812 0.678 0.886 0.743 CB 1.388 36 residues pruned to eliminate duplicates Z: 19 21.952 2.107 0.199 0.858 1.000 0.944 CA 1.507 19 residues pruned to eliminate duplicates Z: 11 36.992 2.347 1.201 0.880 1.000 0.800 CA 1.640 11 residues pruned to eliminate duplicates Z: 8 5.985 1.800 0.170 0.589 0.857 0.571 N 1.150 Z: 21 30.688 2.220 0.835 0.869 0.900 0.700 CA 1.368 21 residues pruned to eliminate duplicates Z: 14 31.720 2.169 0.831 0.875 1.000 0.923 CA 1.611 14 residues pruned to eliminate duplicates Z: 11 20.478 1.988 0.881 0.886 0.900 0.900 CB 1.388 11 residues pruned to eliminate duplicates Z: 19 30.891 2.279 0.673 0.860 0.944 0.778 CA 1.487 19 residues pruned to eliminate duplicates Z: 12 27.360 2.487 0.427 0.860 1.000 0.727 CA 1.709 12 residues pruned to eliminate duplicates Z: 10 19.421 1.936 0.606 0.884 1.000 0.667 N 1.505 10 residues pruned to eliminate duplicates Z: 14 22.309 1.925 0.687 0.935 1.000 0.923 CB 1.328 Z: 43 36.362 2.237 0.739 0.672 0.905 0.548 CB 1.360 43 residues pruned to eliminate duplicates Z: 21 33.165 2.187 0.794 0.863 0.900 0.700 CA 1.541 21 residues pruned to eliminate duplicates Z: 13 22.905 2.071 0.768 0.869 1.000 0.667 CA 1.319 13 residues pruned to eliminate duplicates Z: 54 54.062 2.233 1.143 0.688 0.868 0.491 CB 1.505 54 residues pruned to eliminate duplicates Z: 14 17.945 2.089 0.616 0.750 0.846 0.615 CB 1.395 14 residues pruned to eliminate duplicates Z: 19 20.692 1.889 0.683 0.780 0.944 0.778 CB 1.269 18 residues pruned to eliminate duplicates Z: 15 24.745 2.012 0.911 0.918 0.929 0.714 CA 1.307 15 residues pruned to eliminate duplicates Z: 20 30.333 2.255 0.688 0.838 0.842 0.579 CA 1.623 20 residues pruned to eliminate duplicates Z: 32 23.539 2.017 0.526 0.602 0.903 0.516 CB 1.380 32 residues pruned to eliminate duplicates Z: 22 29.930 2.066 0.974 0.803 0.952 0.571 CA 1.290 22 residues pruned to eliminate duplicates Z: 49 21.505 1.891 0.552 0.452 0.875 0.521 CB 1.269 12 residues pruned to eliminate duplicates Z: 13 13.406 1.774 0.254 0.873 1.000 0.750 CA 1.267 13 residues pruned to eliminate duplicates Z: 16 20.032 1.882 0.750 0.875 0.933 0.400 CB 1.223 16 residues pruned to eliminate duplicates Z: 20 39.387 2.239 0.870 0.858 1.000 0.526 CA 1.589 20 residues pruned to eliminate duplicates Z: 49 39.765 2.224 0.742 0.507 0.958 0.688 CB 1.536 49 residues pruned to eliminate duplicates Z: 10 16.526 1.939 0.640 0.820 0.889 0.667 CA 1.477 10 residues pruned to eliminate duplicates Z: 13 17.401 1.846 0.446 0.905 1.000 1.000 CB 1.339 13 residues pruned to eliminate duplicates Z: 16 16.449 2.003 0.528 0.710 0.867 0.600 CA 1.323 16 residues pruned to eliminate duplicates Z: 17 36.739 2.269 0.983 0.869 0.875 0.688 CA 1.705 17 residues pruned to eliminate duplicates Z: 11 24.334 2.125 0.637 0.917 1.000 0.900 CB 1.562 11 residues pruned to eliminate duplicates Z: 14 11.738 1.901 0.354 0.793 0.923 0.538 CB 1.060 12 residues pruned to eliminate duplicates Z: 16 19.309 1.996 0.637 0.732 0.933 0.800 CA 1.327 16 residues pruned to eliminate duplicates Z: 10 28.225 2.026 0.897 0.912 1.000 0.778 CB 1.733 12 residues pruned to eliminate duplicates Z: 11 2.714 1.566 1.159 0.247 0.500 0.400 CB 0.680 Z: 13 22.124 2.154 0.649 0.763 1.000 0.750 CA 1.423 13 residues pruned to eliminate duplicates Z: 14 25.224 2.270 0.471 0.913 1.000 1.000 CB 1.483 14 residues pruned to eliminate duplicates Z: 16 13.172 1.868 0.119 0.841 0.933 0.733 CB 1.301 14 residues pruned to eliminate duplicates Z: 12 26.513 2.280 0.745 0.877 0.909 0.636 CA 1.606 12 residues pruned to eliminate duplicates Z: 7 8.840 1.904 0.380 0.625 1.000 0.667 CA 1.221 7 residues pruned to eliminate duplicates Z: 9 15.560 2.172 0.664 0.488 1.000 0.625 CB 1.542 12 residues pruned to eliminate duplicates Z: 19 32.858 2.128 0.740 0.866 0.944 0.444 CA 1.621 19 residues pruned to eliminate duplicates Z: 14 25.519 2.256 0.926 0.787 0.846 0.538 CB 1.496 14 residues pruned to eliminate duplicates Z: 104 74.792 2.292 0.840 0.639 0.913 0.621 CA 1.680 104 residues pruned to eliminate duplicates Z: 21 28.611 2.164 0.646 0.843 0.950 0.700 CA 1.407 21 residues pruned to eliminate duplicates Z: 14 15.847 1.935 0.402 0.891 1.000 0.769 CA 1.165 14 residues pruned to eliminate duplicates Z: 12 24.282 2.221 0.807 0.840 0.818 0.636 CB 1.664 12 residues pruned to eliminate duplicates Z: 128 86.287 2.261 0.924 0.647 0.929 0.551 CB 1.652 128 residues pruned to eliminate duplicates Z: 133 80.425 2.249 0.907 0.661 0.909 0.583 CB 1.546 129 residues pruned to eliminate duplicates Z: 13 12.055 1.842 0.370 0.811 0.917 0.583 CA 1.148 13 residues pruned to eliminate duplicates Z: 38 32.286 2.023 0.733 0.581 0.919 0.568 CB 1.525 37 residues pruned to eliminate duplicates Z: 6 4.024 1.540 0.529 0.828 1.000 0.800 CB 0.576 6 residues pruned to eliminate duplicates Z: 9 5.948 1.532 0.415 0.530 1.000 0.875 CB 0.942 Z: 22 31.406 2.147 0.701 0.822 0.905 0.571 CA 1.569 22 residues pruned to eliminate duplicates Z: 20 21.628 1.923 0.573 0.795 0.947 0.737 CB 1.336 20 residues pruned to eliminate duplicates Z: 61 46.248 2.175 0.872 0.653 0.883 0.550 CB 1.440 61 residues pruned to eliminate duplicates Z: 16 23.068 2.126 0.869 0.630 0.867 0.600 CB 1.530 16 residues pruned to eliminate duplicates Z: 19 21.451 1.893 0.657 0.831 0.889 0.667 CB 1.362 19 residues pruned to eliminate duplicates Z: 21 35.032 2.179 0.758 0.864 1.000 0.600 CA 1.499 21 residues pruned to eliminate duplicates Z: 15 22.300 1.937 0.557 0.864 1.000 0.786 CA 1.449 15 residues pruned to eliminate duplicates Z: 44 45.288 2.199 0.938 0.676 0.884 0.488 CA 1.560 44 residues pruned to eliminate duplicates Z: 12 25.994 2.192 0.661 0.890 1.000 0.818 CB 1.549 12 residues pruned to eliminate duplicates Z: 21 35.749 2.199 0.789 0.883 0.850 0.600 CB 1.729 21 residues pruned to eliminate duplicates Z: 9 11.124 1.818 0.445 0.548 1.000 0.500 N 1.428 Z: 10 7.168 1.653 0.182 0.836 0.778 0.778 CA 1.177 10 residues pruned to eliminate duplicates Z: 14 28.086 2.244 0.809 0.843 1.000 0.615 CB 1.428 14 residues pruned to eliminate duplicates Z: 11 23.133 2.064 0.749 0.926 1.000 0.700 CA 1.422 11 residues pruned to eliminate duplicates Z: 8 9.115 1.605 0.497 0.693 0.857 0.857 C 1.402 8 residues pruned to eliminate duplicates Z: 7 7.271 1.779 0.387 0.597 0.833 0.500 N 1.316 7 residues pruned to eliminate duplicates Z: 12 21.494 2.140 1.015 0.894 0.909 0.818 CA 1.186 12 residues pruned to eliminate duplicates Z: 19 27.853 2.092 0.666 0.853 0.889 0.667 CA 1.566 19 residues pruned to eliminate duplicates Z: 13 38.854 2.339 0.950 0.927 1.000 0.917 CB 1.723 13 residues pruned to eliminate duplicates Z: 7 4.776 1.709 0.067 0.554 0.833 0.333 CA 1.218 7 residues pruned to eliminate duplicates Z: 12 23.277 1.926 0.790 0.904 1.000 0.818 CB 1.450 12 residues pruned to eliminate duplicates Z: 8 8.558 1.902 0.623 0.504 0.857 0.429 CB 1.217 8 residues pruned to eliminate duplicates Z: 10 9.103 1.695 0.603 0.532 0.778 0.556 N 1.391 10 residues pruned to eliminate duplicates Z: 12 34.581 2.331 0.840 0.878 1.000 0.727 CB 1.764 12 residues pruned to eliminate duplicates Z: 19 23.835 1.906 0.785 0.832 0.944 0.722 CB 1.312 19 residues pruned to eliminate duplicates Z: 12 11.139 1.599 0.293 0.854 1.000 0.818 CA 1.200 Z: 9 11.688 2.017 0.193 0.884 0.875 0.875 CA 1.419 9 residues pruned to eliminate duplicates Z: 107 62.431 2.214 0.852 0.589 0.877 0.575 CB 1.549 107 residues pruned to eliminate duplicates Z: 18 30.995 2.148 0.802 0.816 0.941 0.412 CA 1.568 18 residues pruned to eliminate duplicates Z: 127 79.526 2.262 0.894 0.624 0.897 0.556 CA 1.641 127 residues pruned to eliminate duplicates Z: 103 87.847 2.315 0.961 0.680 0.951 0.627 CA 1.708 100 residues pruned to eliminate duplicates Z: 11 18.674 1.846 0.706 0.889 0.900 0.700 CB 1.500 11 residues pruned to eliminate duplicates Z: 17 38.890 2.185 1.088 0.861 1.000 0.375 CA 1.566 17 residues pruned to eliminate duplicates Z: 18 24.292 1.903 0.849 0.810 0.941 0.706 CB 1.358 19 residues pruned to eliminate duplicates Z: 14 11.331 1.718 0.521 0.553 0.923 0.692 CB 1.237 Z: 21 35.277 2.279 0.927 0.841 0.900 0.600 CA 1.488 21 residues pruned to eliminate duplicates Z: 18 28.644 2.214 0.489 0.853 1.000 0.824 CB 1.559 18 residues pruned to eliminate duplicates Z: 31 27.772 2.165 0.900 0.588 0.800 0.333 CB 1.416 31 residues pruned to eliminate duplicates Z: 11 28.233 2.302 0.725 0.897 1.000 0.900 CA 1.609 11 residues pruned to eliminate duplicates Z: 11 24.723 2.139 1.123 0.928 1.000 0.700 CB 1.205 11 residues pruned to eliminate duplicates Z: 81 70.957 2.354 0.910 0.659 0.913 0.613 CA 1.668 81 residues pruned to eliminate duplicates Z: 10 19.759 1.946 0.771 0.908 1.000 0.667 CB 1.357 16 residues pruned to eliminate duplicates Z: 48 29.460 1.975 0.707 0.507 0.894 0.489 CB 1.416 48 residues pruned to eliminate duplicates Z: 19 36.144 2.139 1.063 0.870 0.944 0.556 CA 1.492 19 residues pruned to eliminate duplicates Z: 122 92.530 2.276 1.002 0.677 0.959 0.595 CB 1.637 122 residues pruned to eliminate duplicates Z: 18 24.014 1.914 0.735 0.831 0.941 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 11 18.135 1.927 0.574 0.895 1.000 0.700 CA 1.356 11 residues pruned to eliminate duplicates Z: 127 92.835 2.320 1.011 0.660 0.929 0.571 CA 1.646 127 residues pruned to eliminate duplicates Z: 15 24.039 2.108 0.711 0.867 0.929 0.857 CA 1.404 15 residues pruned to eliminate duplicates Z: 14 27.535 2.252 0.860 0.823 0.923 0.538 CA 1.492 14 residues pruned to eliminate duplicates Z: 21 15.608 1.962 0.493 0.512 0.950 0.500 CB 1.240 21 residues pruned to eliminate duplicates Z: 82 62.029 2.261 0.873 0.677 0.852 0.642 CB 1.623 82 residues pruned to eliminate duplicates Z: 16 20.654 1.972 0.463 0.875 0.933 0.467 CA 1.439 16 residues pruned to eliminate duplicates Z: 7 7.235 2.020 0.807 0.487 0.667 0.500 N 1.229 7 residues pruned to eliminate duplicates Z: 67 48.893 2.258 0.646 0.529 0.970 0.712 CB 1.623 67 residues pruned to eliminate duplicates Z: 11 28.261 2.000 1.301 0.886 1.000 0.800 CA 1.400 11 residues pruned to eliminate duplicates Z: 8 8.506 1.626 0.376 0.854 1.000 1.000 CB 1.062 Z: 19 32.846 2.289 0.681 0.906 0.944 0.722 CA 1.515 19 residues pruned to eliminate duplicates Z: 12 23.020 2.160 1.081 0.889 0.909 0.636 CB 1.223 12 residues pruned to eliminate duplicates Z: 128 76.646 2.240 0.840 0.654 0.882 0.606 CA 1.622 128 residues pruned to eliminate duplicates Z: 18 38.495 2.279 1.021 0.839 0.941 0.824 CA 1.609 18 residues pruned to eliminate duplicates Z: 9 4.574 1.491 0.459 0.514 0.750 0.500 CB 0.978 Z: 7 7.367 1.739 0.558 0.608 0.833 0.667 O 1.202 Z: 14 24.194 2.081 0.687 0.880 1.000 0.769 CA 1.384 14 residues pruned to eliminate duplicates Z: 15 19.689 1.954 0.582 0.815 0.929 0.857 CA 1.394 15 residues pruned to eliminate duplicates Z: 17 14.690 1.911 0.367 0.747 0.875 0.812 CA 1.289 17 residues pruned to eliminate duplicates Z: 126 87.382 2.270 0.967 0.627 0.936 0.608 CA 1.660 129 residues pruned to eliminate duplicates Z: 19 20.240 2.108 1.089 0.434 0.833 0.556 CA 1.391 19 residues pruned to eliminate duplicates Z: 46 24.591 1.836 0.582 0.592 0.933 0.578 CB 1.238 33 residues pruned to eliminate duplicates Z: 18 36.744 2.386 0.881 0.859 0.882 0.765 CA 1.656 18 residues pruned to eliminate duplicates Z: 19 29.158 2.262 1.070 0.755 0.778 0.278 CB 1.503 19 residues pruned to eliminate duplicates Z: 14 33.167 2.357 0.937 0.821 0.923 0.846 CA 1.651 14 residues pruned to eliminate duplicates Z: 8 2.892 1.529 0.624 0.597 1.000 0.571 C 0.401 Z: 11 16.978 1.883 0.460 0.915 1.000 0.900 CB 1.379 11 residues pruned to eliminate duplicates Z: 19 29.798 2.122 0.977 0.824 0.889 0.389 CB 1.423 19 residues pruned to eliminate duplicates Z: 13 36.681 2.340 1.080 0.913 0.917 0.750 CA 1.679 13 residues pruned to eliminate duplicates Z: 14 37.516 2.314 1.102 0.904 1.000 0.846 CB 1.525 14 residues pruned to eliminate duplicates Z: 9 9.589 1.641 0.349 0.864 1.000 0.625 CA 1.123 9 residues pruned to eliminate duplicates Z: 7 4.975 2.005 -0.387 0.780 1.000 0.833 CB 1.291 Z: 13 30.515 2.196 0.680 0.931 1.000 0.917 CA 1.668 13 residues pruned to eliminate duplicates Z: 12 4.736 1.667 0.328 0.262 0.818 0.455 CB 1.035 Z: 19 32.542 2.168 0.699 0.880 0.944 0.667 CA 1.599 19 residues pruned to eliminate duplicates Z: 6 4.374 1.691 0.162 0.562 1.000 0.800 N 0.938 Z: 96 60.836 2.201 0.797 0.590 0.905 0.632 CA 1.598 96 residues pruned to eliminate duplicates Z: 13 42.894 2.400 1.091 0.924 1.000 0.750 CB 1.733 13 residues pruned to eliminate duplicates Z: 6 12.480 1.938 0.635 0.739 1.000 0.800 CA 1.422 6 residues pruned to eliminate duplicates Z: 10 8.928 1.844 0.598 0.291 0.889 0.667 N 1.437 10 residues pruned to eliminate duplicates Z: 14 17.895 1.951 0.503 0.824 1.000 0.846 CB 1.279 14 residues pruned to eliminate duplicates Z: 67 51.211 2.281 0.752 0.528 0.955 0.636 CB 1.607 67 residues pruned to eliminate duplicates Z: 11 34.368 2.482 1.087 0.865 0.900 0.600 CB 1.709 11 residues pruned to eliminate duplicates Z: 8 8.266 1.594 0.778 0.685 0.857 0.286 N 1.086 8 residues pruned to eliminate duplicates Z: 14 29.149 2.074 0.795 0.873 1.000 0.923 CA 1.581 14 residues pruned to eliminate duplicates Z: 21 37.715 2.304 0.863 0.875 0.950 0.750 CA 1.504 21 residues pruned to eliminate duplicates Z: 18 15.192 1.899 0.376 0.648 0.941 0.647 CB 1.305 18 residues pruned to eliminate duplicates Z: 12 13.665 1.811 0.260 0.892 0.909 0.818 CA 1.427 12 residues pruned to eliminate duplicates Z: 16 15.229 2.105 0.440 0.432 0.933 0.667 CA 1.490 16 residues pruned to eliminate duplicates Z: 20 33.019 2.282 0.989 0.819 0.842 0.632 CA 1.503 20 residues pruned to eliminate duplicates Z: 7 9.315 1.933 0.657 0.711 1.000 0.667 CA 0.981 7 residues pruned to eliminate duplicates Z: 12 32.854 2.417 0.844 0.871 1.000 0.727 CB 1.622 12 residues pruned to eliminate duplicates Z: 17 16.955 1.879 0.297 0.867 1.000 0.875 CB 1.272 17 residues pruned to eliminate duplicates Z: 9 16.397 2.097 0.309 0.863 1.000 0.625 CB 1.549 9 residues pruned to eliminate duplicates Z: 27 18.880 1.758 0.630 0.607 0.923 0.538 CB 1.265 12 residues pruned to eliminate duplicates Z: 44 50.103 2.385 0.880 0.576 0.907 0.605 CB 1.745 44 residues pruned to eliminate duplicates Z: 12 17.604 1.850 0.700 0.906 0.818 0.636 CA 1.467 12 residues pruned to eliminate duplicates Z: 10 12.628 1.821 0.296 0.851 1.000 0.778 CB 1.321 11 residues pruned to eliminate duplicates Z: 16 23.184 1.937 0.837 0.878 0.933 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 10 4.715 1.532 0.446 0.388 0.667 0.444 N 1.198 Z: 20 35.300 2.052 1.087 0.886 0.895 0.526 CA 1.525 20 residues pruned to eliminate duplicates Z: 15 16.173 1.885 0.429 0.868 1.000 0.929 CA 1.173 15 residues pruned to eliminate duplicates Z: 16 15.862 1.879 0.304 0.846 0.933 0.800 CB 1.331 16 residues pruned to eliminate duplicates Z: 21 32.349 2.168 0.735 0.865 0.950 0.650 CA 1.483 21 residues pruned to eliminate duplicates Z: 66 46.080 2.219 0.891 0.538 0.831 0.615 CB 1.580 66 residues pruned to eliminate duplicates Z: 20 35.533 2.094 0.969 0.885 0.947 0.632 CA 1.507 20 residues pruned to eliminate duplicates Z: 16 19.818 2.010 0.530 0.787 0.933 0.733 CB 1.385 16 residues pruned to eliminate duplicates Z: 12 24.960 1.845 1.015 0.886 1.000 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 13 15.152 1.761 0.381 0.848 1.000 0.750 CB 1.335 11 residues pruned to eliminate duplicates Z: 38 23.151 2.014 0.736 0.454 0.946 0.486 CB 1.206 38 residues pruned to eliminate duplicates Z: 23 32.057 2.084 0.802 0.839 0.909 0.773 CA 1.496 23 residues pruned to eliminate duplicates Z: 7 4.934 1.581 0.340 0.595 0.833 0.333 CA 1.042 7 residues pruned to eliminate duplicates Z: 9 8.499 1.665 0.817 0.454 0.875 0.750 CA 1.190 8 residues pruned to eliminate duplicates Z: 21 35.925 2.213 0.674 0.886 1.000 0.650 CA 1.564 21 residues pruned to eliminate duplicates Z: 16 9.211 1.694 0.680 0.253 0.933 0.600 CB 1.189 16 residues pruned to eliminate duplicates Z: 10 30.420 2.445 0.797 0.886 1.000 0.778 CB 1.665 10 residues pruned to eliminate duplicates Z: 17 42.787 2.316 0.988 0.914 0.938 0.562 CA 1.753 17 residues pruned to eliminate duplicates Z: 6 3.475 1.734 0.126 0.489 0.800 0.400 CB 1.006 6 residues pruned to eliminate duplicates Z: 88 58.235 2.278 0.775 0.603 0.885 0.609 CA 1.582 88 residues pruned to eliminate duplicates Z: 113 86.997 2.301 0.929 0.693 0.938 0.598 CB 1.655 113 residues pruned to eliminate duplicates Z: 17 23.109 1.820 0.856 0.858 0.938 0.750 CB 1.344 16 residues pruned to eliminate duplicates Z: 23 15.965 2.234 0.354 0.456 0.773 0.545 CA 1.524 23 residues pruned to eliminate duplicates Z: 12 24.267 1.990 1.101 0.912 0.909 0.545 CA 1.363 12 residues pruned to eliminate duplicates Z: 10 8.463 1.627 0.610 0.841 0.778 0.667 CA 1.033 Z: 17 21.605 2.192 0.664 0.564 0.938 0.562 CB 1.485 17 residues pruned to eliminate duplicates Z: 55 33.272 2.130 0.799 0.552 0.852 0.500 CB 1.318 55 residues pruned to eliminate duplicates Z: 7 5.664 1.697 0.649 0.408 1.000 0.667 CA 0.911 7 residues pruned to eliminate duplicates Z: 12 10.429 1.939 0.511 0.457 0.727 0.545 CA 1.543 12 residues pruned to eliminate duplicates Z: 10 16.084 1.875 0.569 0.875 1.000 0.778 CB 1.325 10 residues pruned to eliminate duplicates Z: 51 44.394 2.324 0.798 0.505 0.900 0.640 CB 1.660 51 residues pruned to eliminate duplicates Z: 16 10.965 1.673 0.433 0.660 0.867 0.467 CB 1.175 13 residues pruned to eliminate duplicates Z: 95 59.491 2.231 0.824 0.641 0.904 0.596 CB 1.461 95 residues pruned to eliminate duplicates Z: 19 21.156 2.360 0.381 0.610 0.889 0.722 CA 1.551 19 residues pruned to eliminate duplicates Z: 6 2.491 1.540 0.484 0.352 0.600 0.400 N 0.954 8 1.474 1.397 0.320 0.212 0.571 0.429 CB 0.743 ? Z: 31 26.890 2.054 0.795 0.548 0.800 0.333 CA 1.588 31 residues pruned to eliminate duplicates Z: 9 11.339 1.703 0.520 0.852 0.875 0.375 CB 1.310 9 residues pruned to eliminate duplicates Z: 20 41.927 2.320 1.013 0.904 0.895 0.789 CA 1.639 20 residues pruned to eliminate duplicates Z: 12 17.698 1.911 0.543 0.880 1.000 0.818 CB 1.312 12 residues pruned to eliminate duplicates Z: 12 13.691 1.984 0.266 0.884 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 14 23.183 2.255 0.534 0.776 0.923 0.769 CB 1.579 14 residues pruned to eliminate duplicates Z: 11 3.826 1.566 0.492 0.206 0.700 0.400 CB 1.047 10 residues pruned to eliminate duplicates Z: 100 75.680 2.343 0.746 0.693 0.939 0.798 CA 1.660 100 residues pruned to eliminate duplicates Z: 19 35.143 2.199 0.969 0.846 0.944 0.722 CA 1.505 19 residues pruned to eliminate duplicates Z: 28 12.452 1.717 0.488 0.391 0.852 0.519 CB 1.237 28 residues pruned to eliminate duplicates Z: 21 21.341 1.873 0.594 0.850 0.950 0.850 CB 1.246 21 residues pruned to eliminate duplicates Z: 30 23.695 2.095 0.656 0.610 0.897 0.621 CB 1.275 30 residues pruned to eliminate duplicates Z: 17 42.357 2.393 1.043 0.878 0.938 0.625 CB 1.676 17 residues pruned to eliminate duplicates Z: 135 89.342 2.287 0.918 0.643 0.925 0.664 CA 1.663 135 residues pruned to eliminate duplicates Z: 6 2.763 1.761 -0.116 0.603 0.800 0.600 CB 0.899 Z: 12 19.338 1.946 0.605 0.873 1.000 0.909 CA 1.359 12 residues pruned to eliminate duplicates Z: 6 3.038 1.748 0.503 0.507 0.800 0.200 CB 0.642 Z: 23 38.546 2.204 0.802 0.878 0.909 0.727 CB 1.652 23 residues pruned to eliminate duplicates Z: 6 2.896 1.395 0.259 0.801 0.600 0.400 C 0.944 6 residues pruned to eliminate duplicates Z: 12 20.844 1.827 0.716 0.884 1.000 0.727 CB 1.448 12 residues pruned to eliminate duplicates Z: 64 50.570 2.230 0.939 0.571 0.905 0.524 CA 1.521 64 residues pruned to eliminate duplicates Z: 11 2.306 1.582 0.093 0.221 0.700 0.500 CB 0.836 11 residues pruned to eliminate duplicates Z: 12 29.210 2.214 1.069 0.877 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 18 38.815 2.279 0.828 0.888 0.941 0.529 CB 1.730 18 residues pruned to eliminate duplicates Z: 18 34.147 2.200 0.787 0.893 0.941 0.647 CB 1.607 18 residues pruned to eliminate duplicates Z: 11 18.350 1.956 0.742 0.870 0.900 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 26 51.165 2.395 1.299 0.675 0.960 0.560 CB 1.647 30 residues pruned to eliminate duplicates Z: 12 17.829 2.031 0.325 0.911 1.000 0.818 CB 1.415 12 residues pruned to eliminate duplicates Z: 29 17.246 1.958 0.659 0.488 0.750 0.536 CB 1.354 29 residues pruned to eliminate duplicates Z: 133 83.559 2.278 0.926 0.648 0.902 0.606 CA 1.603 133 residues pruned to eliminate duplicates Z: 7 5.703 1.765 0.598 0.284 0.833 0.500 CB 1.263 Z: 12 21.637 1.949 0.828 0.916 1.000 0.909 CA 1.294 12 residues pruned to eliminate duplicates Z: 13 39.010 2.367 1.077 0.863 1.000 0.500 CA 1.681 13 residues pruned to eliminate duplicates Z: 13 14.472 1.854 0.500 0.869 1.000 0.750 CB 1.097 13 residues pruned to eliminate duplicates Z: 11 13.787 2.200 -0.065 0.929 1.000 1.000 CA 1.484 11 residues pruned to eliminate duplicates Z: 65 50.839 2.248 0.736 0.552 0.922 0.656 CB 1.679 65 residues pruned to eliminate duplicates Z: 8 8.098 1.671 0.389 0.853 0.857 0.857 CB 1.137 7 residues pruned to eliminate duplicates Z: 15 22.804 2.039 0.857 0.796 0.929 0.857 CA 1.338 15 residues pruned to eliminate duplicates Z: 6 6.174 1.802 0.726 0.474 1.000 0.600 CA 0.911 6 residues pruned to eliminate duplicates Z: 29 23.798 2.137 0.655 0.494 0.893 0.607 CB 1.433 29 residues pruned to eliminate duplicates Z: 127 78.373 2.270 0.916 0.656 0.913 0.548 CB 1.522 127 residues pruned to eliminate duplicates Z: 128 83.193 2.261 0.885 0.673 0.945 0.622 CB 1.563 130 residues pruned to eliminate duplicates Z: 21 36.478 2.195 1.010 0.868 0.900 0.550 CA 1.501 21 residues pruned to eliminate duplicates Z: 119 73.619 2.253 0.756 0.680 0.898 0.644 CA 1.616 119 residues pruned to eliminate duplicates Z: 176 104.783 2.318 0.982 0.606 0.914 0.560 CB 1.706 176 residues pruned to eliminate duplicates Z: 6 3.829 1.480 0.525 0.619 0.800 0.400 N 0.848 Z: 69 33.586 2.006 0.611 0.507 0.926 0.662 CB 1.351 69 residues pruned to eliminate duplicates Z: 13 9.330 1.815 0.389 0.373 0.917 0.583 CA 1.335 13 residues pruned to eliminate duplicates Z: 7 6.684 1.831 0.204 0.526 0.833 0.667 CA 1.447 9 residues pruned to eliminate duplicates Z: 7 9.159 1.759 0.569 0.815 1.000 0.833 CA 1.031 4 residues pruned to eliminate duplicates Z: 12 38.730 2.321 1.089 0.922 0.909 0.636 CB 1.863 12 residues pruned to eliminate duplicates Z: 12 32.269 2.239 0.758 0.899 1.000 0.818 CB 1.768 12 residues pruned to eliminate duplicates Z: 61 43.775 2.247 0.766 0.476 0.933 0.650 CB 1.563 61 residues pruned to eliminate duplicates Z: 9 5.749 1.662 0.493 0.278 0.875 0.625 CB 1.203 6 residues pruned to eliminate duplicates Z: 6 12.366 2.142 0.643 0.790 1.000 1.000 CA 1.218 6 residues pruned to eliminate duplicates Z: 29 26.034 2.143 0.747 0.483 0.857 0.571 CB 1.559 29 residues pruned to eliminate duplicates Z: 13 16.257 1.959 0.343 0.861 1.000 0.833 CA 1.310 13 residues pruned to eliminate duplicates Z: 12 11.209 1.887 0.497 0.805 0.818 0.545 CB 1.121 12 residues pruned to eliminate duplicates Z: 58 40.573 2.175 0.737 0.533 0.895 0.509 CB 1.539 58 residues pruned to eliminate duplicates Z: 7 11.985 1.679 0.841 0.841 1.000 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 67 53.516 2.280 0.886 0.520 0.924 0.621 CB 1.626 67 residues pruned to eliminate duplicates Z: 20 22.232 2.211 0.712 0.549 0.789 0.632 CA 1.627 20 residues pruned to eliminate duplicates Z: 18 26.547 2.215 0.361 0.864 0.941 0.882 CB 1.664 18 residues pruned to eliminate duplicates Z: 16 16.102 1.794 0.418 0.892 0.933 0.733 CB 1.258 16 residues pruned to eliminate duplicates Z: 19 21.910 2.100 0.270 0.902 1.000 0.889 CA 1.382 19 residues pruned to eliminate duplicates Z: 11 13.548 1.657 0.758 0.900 1.000 0.800 CB 1.050 10 residues pruned to eliminate duplicates Z: 16 15.545 1.943 0.814 0.595 0.800 0.533 CA 1.300 16 residues pruned to eliminate duplicates Z: 10 12.310 1.885 0.606 0.374 1.000 0.556 CB 1.551 10 residues pruned to eliminate duplicates Z: 14 13.768 1.921 0.178 0.941 1.000 1.000 CB 1.172 14 residues pruned to eliminate duplicates Z: 7 3.290 1.627 0.040 0.343 0.833 0.667 CB 1.130 5 residues pruned to eliminate duplicates Z: 8 9.246 2.218 0.193 0.375 1.000 0.571 CA 1.509 8 residues pruned to eliminate duplicates Z: 11 12.147 1.636 0.556 0.922 1.000 1.000 CB 1.061 11 residues pruned to eliminate duplicates Z: 8 5.573 1.749 0.698 0.425 0.714 0.429 N 1.074 Z: 6 2.733 1.362 0.432 0.499 0.800 0.600 N 0.784 6 1.520 1.681 0.095 0.375 0.800 0.600 CB 0.527 ? Z: 17 22.797 1.899 0.753 0.830 1.000 0.438 CB 1.288 18 residues pruned to eliminate duplicates Z: 10 8.359 1.600 0.551 0.862 0.778 0.556 CB 1.061 10 residues pruned to eliminate duplicates Z: 16 24.057 2.168 0.470 0.839 1.000 0.600 CA 1.455 16 residues pruned to eliminate duplicates Z: 10 11.999 1.854 0.573 0.897 1.000 0.667 CB 0.981 10 residues pruned to eliminate duplicates Z: 31 35.719 2.282 0.726 0.547 0.967 0.700 CB 1.636 31 residues pruned to eliminate duplicates Z: 20 28.877 2.226 0.549 0.898 0.895 0.684 CA 1.536 20 residues pruned to eliminate duplicates Z: 8 6.866 1.740 0.304 0.833 0.714 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 10 7.326 1.384 0.460 0.829 0.889 0.778 CB 1.023 Z: 13 16.170 1.913 0.645 0.891 0.833 0.750 CA 1.279 13 residues pruned to eliminate duplicates Z: 11 19.785 2.046 0.913 0.809 0.800 0.400 CA 1.526 11 residues pruned to eliminate duplicates Z: 13 14.455 1.948 0.307 0.845 1.000 0.833 CB 1.218 13 residues pruned to eliminate duplicates Z: 9 8.473 1.593 0.307 0.828 1.000 0.750 CB 1.084 9 residues pruned to eliminate duplicates Z: 8 7.051 1.647 0.121 0.787 1.000 0.714 CB 1.122 7 residues pruned to eliminate duplicates Z: 6 9.433 1.819 0.289 0.777 1.000 0.800 CA 1.409 6 residues pruned to eliminate duplicates Z: 15 5.060 1.470 0.687 0.338 0.786 0.500 CB 0.828 15 residues pruned to eliminate duplicates Z: 11 4.706 1.401 0.355 0.370 0.900 0.400 CA 1.002 5 residues pruned to eliminate duplicates Z: 16 32.914 2.142 0.954 0.852 0.933 0.600 CA 1.609 16 residues pruned to eliminate duplicates Z: 8 6.404 1.592 0.913 0.487 0.857 0.571 CB 0.940 Z: 9 14.377 2.069 0.153 0.906 1.000 0.875 CA 1.515 9 residues pruned to eliminate duplicates Z: 10 5.187 1.466 0.472 0.443 0.778 0.444 CB 1.093 Z: 13 18.724 1.745 0.777 0.839 1.000 0.667 CB 1.302 16 residues pruned to eliminate duplicates Z: 27 15.157 1.797 0.466 0.640 0.885 0.654 CB 1.119 27 residues pruned to eliminate duplicates Z: 10 3.329 1.586 0.065 0.416 0.778 0.444 CB 0.922 10 residues pruned to eliminate duplicates Z: 7 2.527 1.847 0.170 0.422 0.667 0.500 CB 0.776 7 residues pruned to eliminate duplicates Z: 8 5.275 1.825 0.504 0.352 0.714 0.571 CB 1.194 8 residues pruned to eliminate duplicates Z: 7 8.776 1.740 0.895 0.545 1.000 0.833 CB 1.040 Z: 8 7.571 1.364 1.010 0.554 1.000 0.714 CB 0.991 Z: 127 70.867 2.201 0.862 0.607 0.897 0.643 CA 1.552 127 residues pruned to eliminate duplicates Z: 32 13.811 1.780 0.313 0.528 0.839 0.548 CB 1.231 32 residues pruned to eliminate duplicates Z: 11 7.855 1.788 0.253 0.465 0.900 0.600 CB 1.277 Z: 18 43.107 2.372 1.109 0.823 0.941 0.647 CA 1.679 18 residues pruned to eliminate duplicates Z: 35 40.628 2.274 0.909 0.493 0.971 0.676 CA 1.665 35 residues pruned to eliminate duplicates Z: 29 21.803 2.043 0.621 0.515 0.857 0.643 CA 1.430 29 residues pruned to eliminate duplicates Z: 12 12.540 1.821 0.386 0.833 0.818 0.636 CB 1.374 12 residues pruned to eliminate duplicates Z: 29 14.166 1.728 0.195 0.646 0.929 0.714 CB 1.218 30 residues pruned to eliminate duplicates Z: 8 6.389 1.647 0.112 0.840 1.000 0.714 CB 0.984 8 residues pruned to eliminate duplicates Z: 13 15.772 1.713 0.446 0.863 1.000 0.833 CA 1.349 13 residues pruned to eliminate duplicates Z: 13 11.624 1.607 0.897 0.766 0.917 0.750 CB 0.948 13 residues pruned to eliminate duplicates Z: 16 13.224 1.968 0.241 0.666 0.867 0.600 CB 1.383 16 residues pruned to eliminate duplicates Z: 11 26.015 2.015 0.891 0.911 1.000 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 11 20.793 2.036 0.734 0.917 1.000 0.800 CA 1.314 11 residues pruned to eliminate duplicates Z: 10 8.920 1.971 0.353 0.722 0.667 0.444 CA 1.368 10 residues pruned to eliminate duplicates Z: 9 10.350 1.479 0.623 0.863 1.000 0.625 CB 1.119 8 residues pruned to eliminate duplicates Z: 112 82.823 2.251 0.883 0.713 0.937 0.613 CA 1.631 112 residues pruned to eliminate duplicates Z: 26 24.447 2.138 0.778 0.528 0.880 0.600 CA 1.422 26 residues pruned to eliminate duplicates Z: 10 19.860 1.867 0.971 0.904 1.000 0.556 CB 1.281 10 residues pruned to eliminate duplicates Z: 34 25.183 2.004 0.669 0.606 0.848 0.364 CB 1.397 34 residues pruned to eliminate duplicates 6 1.332 1.528 0.563 0.348 1.000 0.400 CB 0.294 ? 6 1.329 1.268 0.223 0.418 0.800 0.400 CB 0.522 ? Z: 6 7.299 1.753 0.194 0.814 1.000 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 13 31.369 2.381 0.586 0.903 1.000 1.000 CA 1.710 13 residues pruned to eliminate duplicates Z: 9 11.082 1.656 0.314 0.857 1.000 0.625 CB 1.326 20 residues pruned to eliminate duplicates Z: 13 21.309 1.886 0.770 0.920 0.917 0.667 CA 1.416 13 residues pruned to eliminate duplicates Z: 9 10.891 1.851 0.949 0.438 0.875 0.875 CA 1.301 10 residues pruned to eliminate duplicates Z: 41 36.571 2.251 0.608 0.526 0.975 0.725 CA 1.597 48 residues pruned to eliminate duplicates Z: 17 20.229 2.026 0.567 0.652 0.938 0.812 CB 1.475 17 residues pruned to eliminate duplicates Z: 51 57.037 2.276 1.061 0.634 0.860 0.520 CB 1.762 51 residues pruned to eliminate duplicates Z: 41 26.562 2.115 0.604 0.480 0.900 0.500 CB 1.404 41 residues pruned to eliminate duplicates Z: 16 14.394 1.904 0.766 0.422 0.867 0.400 CA 1.383 16 residues pruned to eliminate duplicates 7 1.794 1.354 0.715 0.345 0.667 0.333 CB 0.560 ? Z: 18 24.313 2.246 0.721 0.551 0.882 0.706 CA 1.645 18 residues pruned to eliminate duplicates Z: 13 20.004 1.912 0.833 0.898 0.917 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 17 29.152 2.312 0.732 0.667 0.938 0.562 CA 1.663 17 residues pruned to eliminate duplicates Z: 19 32.565 2.175 0.703 0.853 0.944 0.556 CA 1.622 19 residues pruned to eliminate duplicates Z: 11 21.956 1.978 0.939 0.900 1.000 0.300 CB 1.293 11 residues pruned to eliminate duplicates 6 1.691 1.481 0.421 0.146 0.600 0.400 CB 0.926 ? Z: 23 14.548 1.793 0.635 0.367 0.864 0.455 CB 1.413 21 residues pruned to eliminate duplicates Z: 7 3.795 1.416 0.298 0.339 0.833 0.333 N 1.206 Z: 13 15.063 1.787 0.612 0.714 0.917 0.750 CA 1.357 13 residues pruned to eliminate duplicates Z: 25 27.746 2.106 0.963 0.538 0.917 0.542 CB 1.440 25 residues pruned to eliminate duplicates Z: 12 20.307 1.916 0.914 0.883 0.909 0.636 CB 1.327 12 residues pruned to eliminate duplicates Z: 7 6.842 1.556 0.750 0.606 1.000 0.833 CB 0.928 Z: 7 2.028 1.577 -0.359 0.561 0.833 0.667 CB 0.926 Z: 21 27.562 2.051 0.891 0.794 0.800 0.400 CA 1.535 21 residues pruned to eliminate duplicates Z: 9 7.033 1.508 0.834 0.505 0.875 0.375 CB 1.023 8 residues pruned to eliminate duplicates Z: 41 27.849 2.070 0.660 0.540 0.875 0.525 CB 1.408 41 residues pruned to eliminate duplicates Z: 61 51.480 2.160 0.893 0.695 0.917 0.583 CA 1.483 61 residues pruned to eliminate duplicates Z: 8 9.946 1.647 0.358 0.895 1.000 0.857 CB 1.206 8 residues pruned to eliminate duplicates Z: 16 19.481 1.882 0.584 0.886 1.000 0.867 CA 1.218 16 residues pruned to eliminate duplicates Z: 9 7.739 1.694 0.593 0.500 0.875 0.500 CB 1.158 9 residues pruned to eliminate duplicates Z: 13 10.271 1.765 0.276 0.652 0.917 0.333 CB 1.247 13 residues pruned to eliminate duplicates Z: 30 26.485 2.141 0.894 0.522 0.862 0.483 CB 1.377 30 residues pruned to eliminate duplicates Z: 6 2.428 1.800 0.398 0.473 0.800 0.400 CB 0.554 Z: 61 52.616 2.221 0.783 0.707 0.933 0.600 CA 1.522 61 residues pruned to eliminate duplicates Z: 15 8.678 1.902 0.509 0.456 0.714 0.500 CB 1.184 15 residues pruned to eliminate duplicates Z: 26 34.486 2.238 0.676 0.582 1.000 0.680 CA 1.699 26 residues pruned to eliminate duplicates Z: 10 9.381 1.541 0.420 0.890 0.889 0.889 CB 1.156 10 residues pruned to eliminate duplicates Z: 52 37.369 2.168 0.589 0.579 0.902 0.569 CB 1.561 52 residues pruned to eliminate duplicates Z: 6 10.381 1.959 0.283 0.778 1.000 0.800 CA 1.444 6 residues pruned to eliminate duplicates Z: 9 6.284 1.600 0.983 0.581 0.750 0.625 CB 0.864 Z: 30 11.830 1.706 0.494 0.531 0.793 0.448 CB 1.054 32 residues pruned to eliminate duplicates Z: 8 8.792 1.701 0.330 0.865 1.000 0.857 CB 1.076 8 residues pruned to eliminate duplicates Z: 19 38.828 2.154 0.847 0.884 1.000 0.667 CA 1.662 19 residues pruned to eliminate duplicates Z: 12 17.637 1.952 0.347 0.908 1.000 1.000 CB 1.437 12 residues pruned to eliminate duplicates Z: 6 3.119 1.585 -0.205 0.647 1.000 1.000 CB 0.964 Z: 12 24.015 1.957 0.859 0.922 1.000 1.000 CB 1.400 12 residues pruned to eliminate duplicates Z: 8 4.549 1.572 0.242 0.508 1.000 0.571 O 0.874 Z: 21 21.160 2.011 0.625 0.565 0.900 0.650 CA 1.510 21 residues pruned to eliminate duplicates Z: 7 4.576 1.396 0.575 0.485 0.833 0.667 N 1.035 Z: 12 12.180 2.078 0.181 0.434 1.000 0.636 CB 1.602 12 residues pruned to eliminate duplicates Z: 7 4.369 1.546 0.204 0.809 0.833 0.500 CB 0.878 7 residues pruned to eliminate duplicates Z: 20 16.116 1.881 0.807 0.341 0.947 0.579 CB 1.365 20 residues pruned to eliminate duplicates Z: 17 13.501 1.946 0.746 0.576 0.750 0.562 CB 1.231 17 residues pruned to eliminate duplicates Z: 10 6.776 2.016 0.677 0.181 0.889 0.667 CB 1.104 10 residues pruned to eliminate duplicates Z: 17 19.673 1.894 0.565 0.781 0.875 0.625 CB 1.480 17 residues pruned to eliminate duplicates Z: 28 12.632 1.874 0.593 0.246 0.963 0.407 CB 1.134 28 residues pruned to eliminate duplicates Z: 21 12.847 1.736 0.606 0.414 0.900 0.650 CB 1.253 21 residues pruned to eliminate duplicates Z: 13 37.235 2.189 1.053 0.918 0.917 0.667 CA 1.841 13 residues pruned to eliminate duplicates Z: 13 7.221 1.947 0.394 0.270 0.667 0.583 CA 1.497 13 residues pruned to eliminate duplicates Z: 32 29.199 2.160 0.810 0.528 0.839 0.516 CB 1.556 32 residues pruned to eliminate duplicates Z: 6 3.606 1.597 0.865 0.328 0.600 0.600 CB 1.090 Z: 9 11.447 1.864 0.678 0.649 0.875 0.750 CA 1.288 9 residues pruned to eliminate duplicates Z: 8 4.374 1.573 0.297 0.491 0.857 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 18 27.992 2.126 0.800 0.780 0.882 0.471 CA 1.571 18 residues pruned to eliminate duplicates Z: 11 7.503 1.610 0.293 0.801 1.000 0.800 CB 0.876 11 residues pruned to eliminate duplicates Z: 8 7.331 1.691 0.554 0.861 0.857 0.429 CB 0.904 8 residues pruned to eliminate duplicates Z: 26 33.375 2.172 0.715 0.635 1.000 0.640 CA 1.579 26 residues pruned to eliminate duplicates Z: 8 11.550 1.947 0.811 0.484 1.000 0.857 CB 1.259 8 residues pruned to eliminate duplicates Z: 13 15.356 1.846 0.633 0.919 1.000 0.333 CB 1.036 13 residues pruned to eliminate duplicates Z: 62 57.864 2.221 0.930 0.629 0.951 0.426 CB 1.610 62 residues pruned to eliminate duplicates Z: 122 65.697 2.189 0.700 0.653 0.901 0.711 CB 1.545 122 residues pruned to eliminate duplicates Z: 8 4.539 1.819 -0.250 0.534 0.857 0.429 CB 1.419 Z: 12 19.338 1.962 0.662 0.919 1.000 0.727 CB 1.260 12 residues pruned to eliminate duplicates Z: 12 19.570 2.031 0.834 0.780 0.909 0.909 CA 1.362 12 residues pruned to eliminate duplicates Z: 27 46.246 2.373 1.163 0.665 0.962 0.538 CB 1.578 27 residues pruned to eliminate duplicates 7 1.443 1.462 0.380 0.196 0.667 0.167 CB 0.629 ? 8 1.436 1.489 -0.037 0.104 0.857 0.143 CB 0.731 ? Z: 11 29.339 2.034 1.118 0.907 1.000 0.700 CA 1.530 11 residues pruned to eliminate duplicates Z: 16 17.522 1.816 0.505 0.926 0.933 0.933 CB 1.243 16 residues pruned to eliminate duplicates Z: 12 13.702 1.956 0.775 0.813 0.818 0.636 CB 1.107 12 residues pruned to eliminate duplicates Z: 11 13.127 1.609 0.786 0.923 1.000 1.000 CB 1.015 11 residues pruned to eliminate duplicates Z: 6 5.032 1.642 1.001 0.582 1.000 0.600 CB 0.633 8 residues pruned to eliminate duplicates Z: 55 66.269 2.285 0.947 0.732 0.981 0.722 CB 1.676 55 residues pruned to eliminate duplicates Z: 8 12.746 1.701 0.599 0.915 1.000 1.000 CB 1.252 8 residues pruned to eliminate duplicates Z: 8 10.659 1.593 0.784 0.811 1.000 0.857 CA 1.081 8 residues pruned to eliminate duplicates Z: 6 6.128 1.464 0.910 0.463 1.000 0.400 CA 1.018 Z: 186 86.661 2.233 0.894 0.563 0.886 0.551 CB 1.599 186 residues pruned to eliminate duplicates Z: 39 47.026 2.204 0.822 0.771 1.000 0.711 CA 1.495 39 residues pruned to eliminate duplicates Z: 12 36.567 2.407 1.083 0.912 1.000 0.636 CB 1.557 12 residues pruned to eliminate duplicates Z: 46 22.723 1.767 0.557 0.610 0.956 0.689 CB 1.161 53 residues pruned to eliminate duplicates Z: 14 13.158 1.655 0.728 0.732 0.846 0.462 CB 1.224 14 residues pruned to eliminate duplicates Z: 14 21.416 2.185 0.375 0.854 0.923 0.692 CA 1.582 14 residues pruned to eliminate duplicates Z: 184 97.686 2.298 0.912 0.598 0.902 0.656 CA 1.660 184 residues pruned to eliminate duplicates Z: 12 23.155 1.891 0.964 0.902 1.000 0.727 CA 1.341 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 8.266 1.703 0.210 0.515 1.000 0.571 CB 1.056 15 residues pruned to eliminate duplicates Z: 8 7.843 1.752 0.194 0.622 1.000 0.429 CB 1.263 8 residues pruned to eliminate duplicates Z: 12 7.498 1.707 0.417 0.527 0.909 0.545 CB 1.001 12 residues pruned to eliminate duplicates Z: 12 6.515 1.700 0.225 0.385 0.909 0.364 CB 1.171 12 residues pruned to eliminate duplicates Z: 8 13.634 2.052 0.895 0.556 1.000 1.000 CA 1.255 8 residues pruned to eliminate duplicates Z: 8 14.172 2.096 0.779 0.549 0.857 0.857 CA 1.598 8 residues pruned to eliminate duplicates Z: 12 10.772 1.892 0.734 0.489 0.818 0.545 CB 1.224 14 residues pruned to eliminate duplicates Z: 14 25.038 2.320 0.731 0.765 0.923 0.692 CA 1.481 14 residues pruned to eliminate duplicates Z: 24 22.184 2.252 0.837 0.509 0.783 0.565 CB 1.416 24 residues pruned to eliminate duplicates Z: 44 29.950 2.081 0.587 0.520 0.930 0.535 CB 1.457 44 residues pruned to eliminate duplicates Z: 17 24.695 2.286 0.710 0.559 0.875 0.688 CB 1.704 17 residues pruned to eliminate duplicates Z: 26 28.351 2.237 0.793 0.497 0.880 0.520 CB 1.611 26 residues pruned to eliminate duplicates Z: 23 30.047 2.267 0.815 0.519 0.909 0.591 CB 1.681 23 residues pruned to eliminate duplicates Z: 26 26.626 2.217 0.657 0.531 0.880 0.680 CA 1.597 26 residues pruned to eliminate duplicates Z: 25 26.079 2.198 0.841 0.507 0.833 0.375 CB 1.567 25 residues pruned to eliminate duplicates Z: 23 34.173 2.347 0.655 0.590 1.000 0.773 CB 1.720 23 residues pruned to eliminate duplicates Z: 23 29.469 2.323 0.638 0.583 0.955 0.773 CB 1.597 23 residues pruned to eliminate duplicates Z: 23 37.032 2.331 0.763 0.599 1.000 0.773 CA 1.748 23 residues pruned to eliminate duplicates Z: 22 34.135 2.337 0.930 0.614 0.905 0.714 CA 1.638 22 residues pruned to eliminate duplicates Z: 23 34.797 2.302 0.936 0.642 0.955 0.727 CB 1.527 23 residues pruned to eliminate duplicates Z: 56 35.451 2.126 0.649 0.550 0.855 0.600 CB 1.520 56 residues pruned to eliminate duplicates Z: 21 11.012 1.756 0.682 0.358 0.950 0.450 CB 1.023 21 residues pruned to eliminate duplicates Z: 26 29.815 2.190 0.650 0.561 1.000 0.680 CB 1.555 26 residues pruned to eliminate duplicates Z: 27 30.292 2.155 0.872 0.512 0.923 0.462 CB 1.576 27 residues pruned to eliminate duplicates Z: 25 33.917 2.269 0.786 0.586 0.958 0.750 CB 1.642 25 residues pruned to eliminate duplicates Z: 51 32.086 1.991 0.786 0.520 0.960 0.700 CB 1.304 51 residues pruned to eliminate duplicates Z: 24 31.296 2.297 0.666 0.585 0.957 0.783 CA 1.643 24 residues pruned to eliminate duplicates Z: 44 25.436 1.932 0.546 0.496 0.977 0.558 CB 1.336 46 residues pruned to eliminate duplicates Z: 13 21.601 2.127 0.716 0.762 1.000 0.667 CA 1.353 13 residues pruned to eliminate duplicates Z: 46 26.523 1.935 0.636 0.518 0.911 0.644 CB 1.347 45 residues pruned to eliminate duplicates Z: 9 13.579 1.928 0.758 0.768 0.750 0.500 CA 1.489 9 residues pruned to eliminate duplicates Z: 65 26.302 1.956 0.708 0.540 0.781 0.422 CB 1.212 66 residues pruned to eliminate duplicates Z: 12 16.655 1.980 0.617 0.881 1.000 0.818 CA 1.136 12 residues pruned to eliminate duplicates Z: 44 26.028 1.914 0.647 0.491 0.977 0.581 CB 1.301 44 residues pruned to eliminate duplicates Z: 20 21.643 2.040 0.866 0.609 0.895 0.579 CB 1.315 20 residues pruned to eliminate duplicates Z: 20 22.175 2.052 0.860 0.555 0.895 0.474 CB 1.412 20 residues pruned to eliminate duplicates Z: 19 18.250 2.087 0.711 0.589 0.722 0.667 CB 1.532 19 residues pruned to eliminate duplicates Z: 14 22.065 2.028 1.085 0.647 0.923 0.769 CB 1.367 14 residues pruned to eliminate duplicates Z: 46 25.466 1.915 0.768 0.521 0.867 0.489 CB 1.267 46 residues pruned to eliminate duplicates Z: 35 25.346 1.955 0.868 0.477 0.912 0.500 CB 1.336 35 residues pruned to eliminate duplicates Z: 37 24.699 1.915 0.872 0.450 0.917 0.472 CB 1.318 37 residues pruned to eliminate duplicates Z: 36 22.568 1.954 0.692 0.463 0.914 0.657 CB 1.310 36 residues pruned to eliminate duplicates Z: 37 20.808 1.939 0.727 0.438 0.861 0.528 CB 1.282 37 residues pruned to eliminate duplicates Z: 44 23.153 1.948 0.555 0.457 0.907 0.581 CB 1.343 44 residues pruned to eliminate duplicates Z: 28 15.274 1.791 0.522 0.433 0.889 0.519 CB 1.301 27 residues pruned to eliminate duplicates Z: 6 4.386 1.839 0.223 0.231 0.800 0.400 CB 1.492 6 residues pruned to eliminate duplicates Z: 17 10.132 1.781 0.625 0.290 0.938 0.562 CB 1.182 17 residues pruned to eliminate duplicates Z: 32 24.512 2.020 0.805 0.473 0.871 0.355 CB 1.425 32 residues pruned to eliminate duplicates Z: 36 21.689 1.934 0.762 0.423 0.857 0.571 CB 1.360 36 residues pruned to eliminate duplicates Z: 14 8.609 1.737 0.541 0.253 0.923 0.385 CB 1.283 14 residues pruned to eliminate duplicates Z: 126 80.914 2.281 0.821 0.667 0.920 0.656 CA 1.623 126 residues pruned to eliminate duplicates Z: 24 35.197 2.277 0.726 0.701 0.913 0.783 CB 1.702 24 residues pruned to eliminate duplicates Z: 96 71.563 2.242 0.834 0.719 0.958 0.726 CA 1.529 96 residues pruned to eliminate duplicates Z: 51 43.450 2.155 0.666 0.670 0.920 0.720 CA 1.589 51 residues pruned to eliminate duplicates Z: 27 28.522 2.115 0.527 0.675 0.885 0.731 CA 1.666 27 residues pruned to eliminate duplicates Z: 37 31.514 2.014 0.895 0.587 0.889 0.583 CB 1.425 37 residues pruned to eliminate duplicates Z: 35 41.579 2.193 0.808 0.754 0.912 0.794 CB 1.573 35 residues pruned to eliminate duplicates Z: 97 76.736 2.251 0.913 0.705 0.927 0.708 CA 1.628 97 residues pruned to eliminate duplicates Z: 97 67.110 2.254 0.722 0.714 0.927 0.677 CA 1.568 97 residues pruned to eliminate duplicates Z: 47 53.822 2.242 0.759 0.768 0.957 0.630 CA 1.659 47 residues pruned to eliminate duplicates Z: 66 42.148 2.107 0.831 0.531 0.877 0.523 CB 1.499 66 residues pruned to eliminate duplicates Z: 128 75.989 2.255 0.743 0.662 0.913 0.630 CA 1.616 128 residues pruned to eliminate duplicates Z: 127 78.314 2.264 0.801 0.659 0.913 0.659 CA 1.617 127 residues pruned to eliminate duplicates Z: 37 35.481 2.099 0.765 0.713 0.861 0.722 CA 1.528 37 residues pruned to eliminate duplicates Z: 129 79.967 2.264 0.801 0.644 0.930 0.656 CA 1.629 129 residues pruned to eliminate duplicates Z: 78 49.109 2.179 0.676 0.628 0.896 0.649 CB 1.516 76 residues pruned to eliminate duplicates Z: 18 41.871 2.282 0.935 0.884 1.000 0.588 CB 1.661 18 residues pruned to eliminate duplicates Z: 95 65.289 2.203 0.801 0.693 0.936 0.702 CA 1.520 54 residues pruned to eliminate duplicates Z: 22 33.483 2.169 0.801 0.759 0.952 0.571 CA 1.560 22 residues pruned to eliminate duplicates Z: 131 77.742 2.230 0.855 0.629 0.915 0.615 CA 1.594 131 residues pruned to eliminate duplicates Z: 77 61.810 2.223 0.794 0.707 0.934 0.671 CA 1.576 77 residues pruned to eliminate duplicates Z: 27 42.294 2.278 0.961 0.699 0.962 0.769 CB 1.611 27 residues pruned to eliminate duplicates Z: 129 80.327 2.260 0.880 0.648 0.898 0.625 CA 1.620 89 residues pruned to eliminate duplicates Z: 10 18.185 1.962 0.667 0.874 1.000 0.556 CB 1.349 10 residues pruned to eliminate duplicates Z: 47 46.513 2.169 0.747 0.751 0.957 0.522 CB 1.513 47 residues pruned to eliminate duplicates Z: 94 64.144 2.234 0.651 0.709 0.935 0.699 CA 1.594 94 residues pruned to eliminate duplicates Z: 133 76.662 2.233 0.838 0.629 0.902 0.553 CA 1.598 133 residues pruned to eliminate duplicates Z: 42 38.356 2.110 0.985 0.635 0.878 0.561 CA 1.434 42 residues pruned to eliminate duplicates Z: 38 42.287 2.114 0.904 0.689 0.946 0.703 CA 1.535 38 residues pruned to eliminate duplicates Z: 122 81.517 2.261 0.821 0.677 0.926 0.612 CA 1.652 122 residues pruned to eliminate duplicates Z: 131 81.142 2.265 0.895 0.641 0.892 0.677 CB 1.628 131 residues pruned to eliminate duplicates Z: 12 19.038 1.927 1.074 0.851 0.818 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 127 87.043 2.279 0.907 0.659 0.929 0.659 CB 1.658 128 residues pruned to eliminate duplicates Z: 26 40.186 2.137 0.953 0.838 0.920 0.720 CA 1.564 26 residues pruned to eliminate duplicates Z: 129 81.894 2.258 0.890 0.647 0.906 0.594 CA 1.632 129 residues pruned to eliminate duplicates Z: 127 76.805 2.262 0.857 0.643 0.881 0.643 CA 1.618 127 residues pruned to eliminate duplicates Z: 68 61.527 2.223 0.908 0.721 0.940 0.612 CA 1.543 68 residues pruned to eliminate duplicates Z: 134 80.466 2.251 0.879 0.625 0.910 0.594 CB 1.612 134 residues pruned to eliminate duplicates Z: 103 61.022 2.195 0.870 0.593 0.882 0.608 CA 1.526 103 residues pruned to eliminate duplicates Z: 78 61.376 2.222 0.933 0.683 0.896 0.675 CA 1.537 78 residues pruned to eliminate duplicates Z: 127 83.967 2.270 0.923 0.641 0.905 0.619 CA 1.659 127 residues pruned to eliminate duplicates Z: 126 86.438 2.275 0.897 0.669 0.936 0.664 CB 1.638 127 residues pruned to eliminate duplicates Z: 14 37.392 2.351 0.943 0.923 1.000 0.846 CB 1.596 14 residues pruned to eliminate duplicates Z: 128 80.804 2.269 0.819 0.651 0.929 0.614 CB 1.624 128 residues pruned to eliminate duplicates Z: 103 76.630 2.296 0.926 0.668 0.912 0.676 CA 1.611 102 residues pruned to eliminate duplicates Z: 14 37.882 2.381 1.035 0.911 0.923 0.769 CB 1.665 14 residues pruned to eliminate duplicates Z: 108 67.261 2.199 0.820 0.644 0.916 0.645 CA 1.550 108 residues pruned to eliminate duplicates Z: 108 63.592 2.213 0.752 0.638 0.888 0.664 CB 1.569 108 residues pruned to eliminate duplicates Z: 96 67.893 2.276 0.824 0.632 0.895 0.579 CB 1.657 79 residues pruned to eliminate duplicates Z: 21 29.061 2.282 0.636 0.774 0.900 0.800 CA 1.518 21 residues pruned to eliminate duplicates Z: 110 78.102 2.273 0.846 0.692 0.917 0.633 CA 1.630 110 residues pruned to eliminate duplicates Z: 128 81.420 2.271 0.811 0.650 0.913 0.638 CA 1.672 128 residues pruned to eliminate duplicates Z: 20 27.493 2.239 0.595 0.742 0.947 0.632 CA 1.500 20 residues pruned to eliminate duplicates Z: 124 84.387 2.254 0.908 0.660 0.911 0.667 CA 1.675 124 residues pruned to eliminate duplicates Z: 114 76.708 2.241 0.829 0.664 0.929 0.681 CB 1.628 114 residues pruned to eliminate duplicates Z: 77 51.900 2.242 0.790 0.544 0.895 0.487 CA 1.587 77 residues pruned to eliminate duplicates Z: 65 60.614 2.221 0.968 0.729 0.922 0.719 CA 1.530 65 residues pruned to eliminate duplicates Z: 54 56.415 2.293 0.958 0.721 0.925 0.736 CA 1.529 54 residues pruned to eliminate duplicates Z: 96 65.576 2.233 0.851 0.620 0.895 0.611 CB 1.624 96 residues pruned to eliminate duplicates Z: 86 70.558 2.276 0.854 0.736 0.906 0.671 CA 1.619 86 residues pruned to eliminate duplicates Z: 114 77.475 2.249 0.875 0.678 0.894 0.628 CB 1.642 114 residues pruned to eliminate duplicates Z: 118 67.452 2.212 0.800 0.617 0.872 0.564 CB 1.608 118 residues pruned to eliminate duplicates Z: 130 88.140 2.274 0.878 0.652 0.961 0.659 CA 1.641 130 residues pruned to eliminate duplicates Z: 127 80.844 2.265 0.850 0.660 0.905 0.587 CB 1.638 127 residues pruned to eliminate duplicates Z: 106 76.083 2.273 0.931 0.643 0.905 0.667 CA 1.635 106 residues pruned to eliminate duplicates Z: 53 52.529 2.266 0.924 0.647 0.904 0.692 CA 1.612 53 residues pruned to eliminate duplicates Z: 80 65.798 2.293 0.921 0.615 0.886 0.557 CB 1.702 80 residues pruned to eliminate duplicates Z: 89 70.109 2.265 0.860 0.701 0.920 0.614 CB 1.605 89 residues pruned to eliminate duplicates Z: 98 72.232 2.236 0.807 0.699 0.948 0.660 CA 1.596 98 residues pruned to eliminate duplicates Z: 131 80.532 2.265 0.864 0.648 0.900 0.646 CB 1.618 131 residues pruned to eliminate duplicates Z: 133 81.421 2.250 0.859 0.632 0.932 0.636 CA 1.606 133 residues pruned to eliminate duplicates Z: 104 69.019 2.273 0.802 0.657 0.893 0.680 CA 1.607 104 residues pruned to eliminate duplicates Z: 87 69.536 2.235 0.838 0.735 0.965 0.651 CA 1.531 87 residues pruned to eliminate duplicates Z: 103 71.161 2.284 0.830 0.657 0.902 0.706 CA 1.616 103 residues pruned to eliminate duplicates Z: 107 64.322 2.223 0.751 0.647 0.887 0.670 CA 1.577 107 residues pruned to eliminate duplicates Z: 130 81.770 2.268 0.834 0.642 0.922 0.597 CA 1.643 130 residues pruned to eliminate duplicates Z: 98 71.949 2.239 0.867 0.680 0.938 0.670 CA 1.579 98 residues pruned to eliminate duplicates Z: 129 85.264 2.273 0.843 0.661 0.930 0.633 CB 1.667 129 residues pruned to eliminate duplicates Z: 122 79.448 2.259 0.836 0.659 0.934 0.653 CA 1.608 122 residues pruned to eliminate duplicates Z: 59 44.699 2.194 0.874 0.521 0.897 0.569 CB 1.559 59 residues pruned to eliminate duplicates Z: 17 25.412 2.142 0.656 0.730 0.938 0.688 CA 1.553 17 residues pruned to eliminate duplicates Z: 93 72.128 2.238 0.853 0.714 0.913 0.630 CB 1.636 93 residues pruned to eliminate duplicates Z: 104 70.794 2.224 0.810 0.698 0.922 0.592 CA 1.568 104 residues pruned to eliminate duplicates Z: 176 94.527 2.261 0.886 0.612 0.920 0.594 CB 1.639 176 residues pruned to eliminate duplicates Z: 121 82.078 2.265 0.876 0.663 0.933 0.625 CB 1.624 121 residues pruned to eliminate duplicates Z: 192 96.570 2.264 0.840 0.605 0.937 0.634 CB 1.620 192 residues pruned to eliminate duplicates Z: 128 81.962 2.246 0.910 0.668 0.898 0.583 CB 1.618 128 residues pruned to eliminate duplicates Z: 104 78.437 2.290 0.938 0.666 0.922 0.670 CA 1.620 104 residues pruned to eliminate duplicates Z: 45 37.750 2.172 0.852 0.602 0.864 0.500 CB 1.486 45 residues pruned to eliminate duplicates Z: 128 84.803 2.253 0.924 0.663 0.921 0.614 CA 1.619 128 residues pruned to eliminate duplicates Z: 42 38.240 2.254 0.898 0.503 0.854 0.610 CB 1.631 42 residues pruned to eliminate duplicates Z: 190 87.383 2.196 0.819 0.593 0.921 0.651 CB 1.581 200 residues pruned to eliminate duplicates Z: 103 73.240 2.279 0.838 0.661 0.931 0.637 CA 1.601 103 residues pruned to eliminate duplicates Z: 82 57.888 2.225 0.941 0.591 0.877 0.593 CA 1.557 82 residues pruned to eliminate duplicates Z: 135 76.445 2.250 0.819 0.634 0.903 0.627 CA 1.576 135 residues pruned to eliminate duplicates Z: 107 70.616 2.231 0.923 0.635 0.868 0.613 CB 1.623 107 residues pruned to eliminate duplicates Z: 96 64.991 2.243 0.877 0.619 0.884 0.600 CA 1.600 96 residues pruned to eliminate duplicates Z: 126 79.133 2.262 0.831 0.654 0.912 0.680 CA 1.624 126 residues pruned to eliminate duplicates Z: 32 33.091 2.271 0.908 0.560 0.806 0.548 CB 1.605 32 residues pruned to eliminate duplicates Z: 92 74.701 2.277 0.998 0.635 0.934 0.505 CB 1.623 92 residues pruned to eliminate duplicates Z: 40 29.764 2.189 0.998 0.442 0.744 0.513 CB 1.555 40 residues pruned to eliminate duplicates Z: 35 35.070 2.314 1.088 0.505 0.765 0.647 CB 1.619 35 residues pruned to eliminate duplicates Z: 127 76.447 2.234 0.805 0.655 0.897 0.627 CB 1.630 127 residues pruned to eliminate duplicates Z: 105 76.326 2.259 0.918 0.655 0.913 0.577 CA 1.638 105 residues pruned to eliminate duplicates Z: 37 31.819 2.272 0.965 0.490 0.778 0.528 CB 1.543 37 residues pruned to eliminate duplicates Z: 127 88.023 2.263 1.001 0.654 0.921 0.635 CA 1.630 127 residues pruned to eliminate duplicates Z: 104 72.137 2.272 0.844 0.648 0.913 0.621 CA 1.619 104 residues pruned to eliminate duplicates Z: 33 30.815 2.261 0.908 0.500 0.844 0.531 CB 1.496 33 residues pruned to eliminate duplicates Z: 109 73.313 2.220 0.989 0.639 0.880 0.546 CB 1.594 109 residues pruned to eliminate duplicates Z: 130 82.393 2.228 0.965 0.639 0.922 0.550 CB 1.577 130 residues pruned to eliminate duplicates Z: 127 92.033 2.282 0.942 0.676 0.952 0.619 CA 1.652 127 residues pruned to eliminate duplicates Z: 128 84.217 2.255 0.878 0.646 0.953 0.559 CB 1.616 128 residues pruned to eliminate duplicates Z: 74 54.039 2.240 0.802 0.603 0.863 0.616 CB 1.646 74 residues pruned to eliminate duplicates Z: 42 35.571 2.220 0.937 0.493 0.854 0.537 CB 1.524 42 residues pruned to eliminate duplicates Z: 23 23.043 2.194 0.881 0.438 0.773 0.364 CB 1.643 23 residues pruned to eliminate duplicates Z: 20 25.275 2.255 1.066 0.428 0.789 0.474 CA 1.699 20 residues pruned to eliminate duplicates Z: 38 22.956 1.952 0.903 0.414 0.811 0.432 CB 1.371 38 residues pruned to eliminate duplicates Z: 38 26.231 2.208 0.740 0.429 0.757 0.405 CB 1.596 38 residues pruned to eliminate duplicates Z: 42 35.054 2.263 0.924 0.487 0.854 0.390 CB 1.492 42 residues pruned to eliminate duplicates Z: 127 74.616 2.214 0.872 0.618 0.897 0.603 CB 1.599 127 residues pruned to eliminate duplicates Z: 22 20.397 2.117 0.745 0.390 0.857 0.429 CB 1.581 22 residues pruned to eliminate duplicates Z: 101 73.978 2.244 0.907 0.660 0.940 0.620 CA 1.585 101 residues pruned to eliminate duplicates Z: 56 36.767 2.291 0.612 0.459 0.891 0.582 CB 1.571 21 residues pruned to eliminate duplicates Z: 13 29.207 2.445 0.755 0.758 1.000 0.500 CA 1.561 13 residues pruned to eliminate duplicates Z: 147 80.375 2.269 0.814 0.626 0.884 0.616 CB 1.626 147 residues pruned to eliminate duplicates Z: 86 53.001 2.323 0.722 0.507 0.882 0.635 CB 1.618 90 residues pruned to eliminate duplicates Z: 12 24.498 2.449 0.334 0.841 1.000 0.727 CA 1.685 12 residues pruned to eliminate duplicates Z: 24 22.417 2.349 0.407 0.516 0.913 0.696 CB 1.525 24 residues pruned to eliminate duplicates Z: 46 33.305 2.293 0.533 0.504 0.911 0.644 CA 1.544 46 residues pruned to eliminate duplicates Z: 28 25.541 2.344 0.518 0.471 0.852 0.593 CA 1.670 28 residues pruned to eliminate duplicates Z: 24 18.666 2.312 0.548 0.480 0.783 0.696 CB 1.418 24 residues pruned to eliminate duplicates Z: 49 36.964 2.306 0.653 0.480 0.875 0.583 CA 1.632 49 residues pruned to eliminate duplicates Z: 25 18.093 2.257 0.405 0.469 0.875 0.458 CA 1.374 25 residues pruned to eliminate duplicates Z: 69 43.373 2.278 0.628 0.477 0.926 0.632 CA 1.567 69 residues pruned to eliminate duplicates Z: 51 39.861 2.319 0.626 0.487 0.980 0.720 CA 1.545 49 residues pruned to eliminate duplicates Z: 14 17.328 2.469 0.211 0.664 1.000 0.615 CA 1.382 14 residues pruned to eliminate duplicates Z: 162 85.840 2.268 0.860 0.583 0.925 0.609 CB 1.601 162 residues pruned to eliminate duplicates Z: 25 23.993 2.368 0.445 0.522 0.917 0.542 CA 1.529 25 residues pruned to eliminate duplicates Z: 58 35.250 2.217 0.547 0.452 0.930 0.649 CA 1.537 58 residues pruned to eliminate duplicates Z: 50 44.387 2.315 0.732 0.511 0.959 0.633 CA 1.631 50 residues pruned to eliminate duplicates Z: 11 18.904 2.219 1.004 0.437 1.000 0.800 CA 1.436 11 residues pruned to eliminate duplicates Z: 73 43.915 2.257 0.622 0.480 0.944 0.639 CB 1.527 69 residues pruned to eliminate duplicates Z: 8 9.460 1.946 0.660 0.482 0.857 0.571 CA 1.315 Z: 13 22.640 2.265 0.909 0.674 0.917 0.500 CA 1.404 13 residues pruned to eliminate duplicates Z: 49 47.469 2.302 0.858 0.563 0.958 0.646 CA 1.573 57 residues pruned to eliminate duplicates Z: 26 28.829 2.238 0.824 0.510 0.920 0.680 CA 1.520 26 residues pruned to eliminate duplicates Z: 26 27.006 2.221 0.986 0.491 0.800 0.520 CA 1.545 26 residues pruned to eliminate duplicates Z: 27 36.230 2.244 0.962 0.544 1.000 0.692 CA 1.546 27 residues pruned to eliminate duplicates Z: 27 30.437 2.209 0.948 0.484 0.923 0.654 CA 1.528 27 residues pruned to eliminate duplicates Z: 28 32.876 2.242 0.980 0.491 0.963 0.741 CA 1.494 30 residues pruned to eliminate duplicates Z: 13 27.757 2.117 0.855 0.901 1.000 0.917 CA 1.456 13 residues pruned to eliminate duplicates Z: 32 28.607 2.129 0.741 0.427 0.968 0.581 CB 1.545 28 residues pruned to eliminate duplicates Z: 13 25.309 2.121 0.968 0.846 1.000 0.667 CA 1.300 13 residues pruned to eliminate duplicates Z: 61 40.189 2.198 0.687 0.488 0.933 0.633 CB 1.518 56 residues pruned to eliminate duplicates Z: 14 21.059 2.178 0.946 0.740 1.000 0.692 CA 1.112 14 residues pruned to eliminate duplicates Z: 30 29.380 2.170 0.910 0.420 0.931 0.586 CB 1.536 30 residues pruned to eliminate duplicates Z: 27 31.503 2.232 0.897 0.507 0.962 0.577 CB 1.507 27 residues pruned to eliminate duplicates Z: 83 63.674 2.209 0.964 0.599 0.951 0.610 CA 1.550 83 residues pruned to eliminate duplicates Z: 32 23.894 2.073 0.757 0.411 0.871 0.548 CA 1.485 32 residues pruned to eliminate duplicates Z: 28 26.447 2.124 0.956 0.466 0.852 0.556 CA 1.488 28 residues pruned to eliminate duplicates Z: 53 43.551 2.320 0.853 0.475 0.904 0.673 CA 1.594 64 residues pruned to eliminate duplicates Z: 7 11.289 1.803 1.190 0.497 1.000 0.667 CA 1.172 7 residues pruned to eliminate duplicates Z: 11 15.368 2.143 0.972 0.311 0.900 0.700 CB 1.575 11 residues pruned to eliminate duplicates Z: 7 6.926 1.635 1.087 0.376 0.833 0.333 CA 1.135 6 residues pruned to eliminate duplicates Z: 6 7.356 1.871 0.918 0.486 1.000 0.400 CB 0.930 6 residues pruned to eliminate duplicates Z: 6 4.495 1.632 0.321 0.403 0.800 0.200 N 1.292 6 residues pruned to eliminate duplicates Z: 108 76.626 2.295 0.850 0.682 0.907 0.664 CA 1.629 108 residues pruned to eliminate duplicates Z: 22 29.736 2.197 0.718 0.677 0.905 0.571 CA 1.614 22 residues pruned to eliminate duplicates Z: 136 84.330 2.272 0.849 0.628 0.933 0.630 CA 1.642 136 residues pruned to eliminate duplicates Z: 128 81.358 2.285 0.899 0.623 0.890 0.630 CA 1.664 128 residues pruned to eliminate duplicates Z: 132 89.078 2.307 0.882 0.655 0.924 0.641 CA 1.679 132 residues pruned to eliminate duplicates Z: 130 78.222 2.256 0.890 0.622 0.884 0.574 CA 1.628 130 residues pruned to eliminate duplicates Z: 28 39.041 2.220 0.870 0.640 0.926 0.593 CB 1.715 28 residues pruned to eliminate duplicates Z: 130 85.862 2.309 0.881 0.656 0.907 0.605 CA 1.661 130 residues pruned to eliminate duplicates Z: 47 53.847 2.277 0.836 0.708 0.913 0.652 CA 1.723 48 residues pruned to eliminate duplicates Z: 17 37.437 2.279 0.816 0.840 1.000 0.688 CA 1.688 17 residues pruned to eliminate duplicates Z: 41 57.011 2.331 0.904 0.714 0.925 0.650 CA 1.809 41 residues pruned to eliminate duplicates Z: 110 82.202 2.287 0.928 0.674 0.927 0.596 CA 1.642 110 residues pruned to eliminate duplicates Z: 100 85.238 2.344 0.900 0.689 0.939 0.626 CA 1.723 100 residues pruned to eliminate duplicates Z: 92 83.378 2.339 0.946 0.718 0.934 0.670 CA 1.689 92 residues pruned to eliminate duplicates Z: 99 79.371 2.326 0.766 0.699 0.969 0.643 CA 1.678 99 residues pruned to eliminate duplicates Z: 26 40.229 2.258 0.791 0.681 0.960 0.600 CA 1.755 26 residues pruned to eliminate duplicates Z: 114 79.422 2.275 0.891 0.649 0.912 0.593 CA 1.658 114 residues pruned to eliminate duplicates Z: 101 81.206 2.337 0.830 0.696 0.930 0.610 CA 1.706 101 residues pruned to eliminate duplicates Z: 129 85.437 2.302 0.818 0.661 0.945 0.617 CA 1.644 129 residues pruned to eliminate duplicates Z: 104 81.749 2.338 0.885 0.661 0.932 0.641 CA 1.689 104 residues pruned to eliminate duplicates Z: 89 80.600 2.371 0.845 0.725 0.943 0.705 CA 1.700 89 residues pruned to eliminate duplicates Z: 88 77.666 2.355 0.873 0.718 0.908 0.690 CA 1.707 88 residues pruned to eliminate duplicates Z: 89 78.245 2.358 0.888 0.716 0.898 0.670 CA 1.717 89 residues pruned to eliminate duplicates Z: 131 84.147 2.262 0.871 0.644 0.915 0.631 CA 1.665 131 residues pruned to eliminate duplicates Z: 170 87.056 2.253 0.822 0.596 0.917 0.663 CB 1.623 170 residues pruned to eliminate duplicates Z: 65 74.189 2.374 0.894 0.747 0.938 0.656 CA 1.765 65 residues pruned to eliminate duplicates Z: 134 86.129 2.303 0.917 0.634 0.910 0.624 CA 1.640 134 residues pruned to eliminate duplicates Z: 132 85.858 2.315 0.879 0.651 0.908 0.611 CA 1.649 132 residues pruned to eliminate duplicates Z: 46 49.690 2.288 0.903 0.627 0.867 0.556 CA 1.742 46 residues pruned to eliminate duplicates Z: 99 91.578 2.377 0.945 0.701 0.969 0.643 CA 1.719 99 residues pruned to eliminate duplicates Z: 65 51.372 2.216 0.946 0.595 0.828 0.562 CA 1.643 65 residues pruned to eliminate duplicates Z: 103 84.496 2.344 0.970 0.671 0.902 0.618 CA 1.716 103 residues pruned to eliminate duplicates Z: 79 71.908 2.342 0.789 0.705 0.962 0.731 CB 1.677 79 residues pruned to eliminate duplicates Z: 108 82.702 2.325 0.958 0.677 0.907 0.551 CA 1.646 108 residues pruned to eliminate duplicates Z: 169 86.335 2.248 0.844 0.598 0.923 0.631 CB 1.586 169 residues pruned to eliminate duplicates Z: 96 91.087 2.383 0.958 0.705 0.968 0.674 CA 1.715 96 residues pruned to eliminate duplicates Z: 127 92.882 2.328 0.948 0.655 0.937 0.619 CA 1.687 127 residues pruned to eliminate duplicates Z: 170 86.690 2.257 0.841 0.608 0.899 0.633 CB 1.611 170 residues pruned to eliminate duplicates Z: 133 86.262 2.286 0.908 0.626 0.917 0.591 CA 1.667 133 residues pruned to eliminate duplicates Z: 111 82.569 2.300 0.945 0.648 0.927 0.582 CA 1.652 111 residues pruned to eliminate duplicates Z: 103 86.014 2.332 0.976 0.675 0.931 0.637 CA 1.689 103 residues pruned to eliminate duplicates Z: 103 85.692 2.320 0.987 0.682 0.931 0.667 CA 1.672 103 residues pruned to eliminate duplicates Z: 110 80.449 2.298 0.906 0.656 0.927 0.606 CA 1.642 110 residues pruned to eliminate duplicates Z: 168 93.952 2.307 0.839 0.614 0.916 0.653 CA 1.678 168 residues pruned to eliminate duplicates Z: 106 77.520 2.311 0.925 0.650 0.895 0.638 CA 1.652 106 residues pruned to eliminate duplicates Z: 128 88.356 2.299 0.944 0.651 0.913 0.575 CA 1.668 128 residues pruned to eliminate duplicates Z: 104 84.607 2.336 0.909 0.693 0.932 0.650 CA 1.681 104 residues pruned to eliminate duplicates Z: 131 83.261 2.283 0.919 0.637 0.908 0.592 CA 1.614 131 residues pruned to eliminate duplicates Z: 125 91.589 2.316 0.930 0.661 0.927 0.573 CB 1.709 125 residues pruned to eliminate duplicates Z: 76 80.083 2.349 0.986 0.725 0.947 0.653 CA 1.709 76 residues pruned to eliminate duplicates Z: 21 30.350 2.194 0.662 0.843 0.950 0.750 CA 1.458 21 residues pruned to eliminate duplicates Z: 87 57.117 2.235 0.838 0.576 0.919 0.581 CA 1.516 87 residues pruned to eliminate duplicates Z: 129 86.916 2.307 0.932 0.640 0.914 0.609 CA 1.654 129 residues pruned to eliminate duplicates Z: 126 92.018 2.317 0.919 0.663 0.944 0.648 CA 1.686 126 residues pruned to eliminate duplicates Z: 102 79.469 2.313 0.962 0.679 0.891 0.584 CA 1.659 102 residues pruned to eliminate duplicates Z: 57 65.178 2.350 0.912 0.717 0.946 0.714 CA 1.683 57 residues pruned to eliminate duplicates Z: 128 81.892 2.280 0.925 0.630 0.898 0.614 CA 1.633 128 residues pruned to eliminate duplicates Z: 109 88.187 2.298 1.015 0.668 0.926 0.602 CA 1.694 109 residues pruned to eliminate duplicates Z: 106 83.144 2.323 0.974 0.631 0.924 0.638 CB 1.694 106 residues pruned to eliminate duplicates Z: 104 85.646 2.314 0.974 0.681 0.942 0.573 CA 1.661 104 residues pruned to eliminate duplicates Z: 111 87.737 2.326 0.985 0.691 0.918 0.582 CA 1.657 111 residues pruned to eliminate duplicates Z: 130 90.782 2.316 0.980 0.657 0.915 0.566 CA 1.647 130 residues pruned to eliminate duplicates Z: 104 85.554 2.339 1.001 0.673 0.903 0.650 CB 1.701 104 residues pruned to eliminate duplicates Z: 170 87.830 2.238 0.887 0.588 0.917 0.592 CA 1.603 170 residues pruned to eliminate duplicates Z: 169 90.744 2.254 0.822 0.617 0.929 0.613 CB 1.643 169 residues pruned to eliminate duplicates Z: 127 91.342 2.315 0.916 0.662 0.944 0.611 CA 1.671 127 residues pruned to eliminate duplicates Z: 62 52.006 2.243 0.945 0.629 0.885 0.574 CB 1.526 62 residues pruned to eliminate duplicates Z: 65 70.522 2.366 1.063 0.686 0.922 0.719 CA 1.652 65 residues pruned to eliminate duplicates Z: 133 93.939 2.286 1.018 0.661 0.924 0.629 CA 1.652 133 residues pruned to eliminate duplicates Z: 134 83.400 2.271 0.960 0.624 0.895 0.571 CA 1.616 134 residues pruned to eliminate duplicates Z: 130 91.864 2.308 0.978 0.655 0.907 0.620 CA 1.691 130 residues pruned to eliminate duplicates Z: 165 93.446 2.272 0.931 0.615 0.902 0.634 CA 1.653 165 residues pruned to eliminate duplicates Z: 114 84.917 2.300 0.951 0.684 0.920 0.655 CA 1.633 114 residues pruned to eliminate duplicates Z: 98 86.407 2.339 0.948 0.709 0.948 0.629 CA 1.679 98 residues pruned to eliminate duplicates Z: 25 29.808 2.310 0.804 0.605 0.917 0.625 CB 1.442 25 residues pruned to eliminate duplicates Z: 116 83.350 2.281 0.932 0.698 0.896 0.635 CB 1.643 114 residues pruned to eliminate duplicates Z: 15 28.655 2.213 0.705 0.815 0.929 0.857 CB 1.662 15 residues pruned to eliminate duplicates Z: 125 90.952 2.312 0.990 0.682 0.919 0.677 CA 1.635 127 residues pruned to eliminate duplicates Z: 13 32.400 2.307 1.143 0.866 0.917 0.750 CA 1.511 13 residues pruned to eliminate duplicates Z: 131 87.674 2.297 0.954 0.657 0.908 0.592 CA 1.631 131 residues pruned to eliminate duplicates Z: 97 91.317 2.372 0.975 0.710 0.948 0.562 CA 1.735 97 residues pruned to eliminate duplicates Z: 80 65.008 2.289 0.883 0.675 0.924 0.658 CA 1.563 80 residues pruned to eliminate duplicates Z: 133 94.407 2.306 1.028 0.657 0.917 0.598 CA 1.658 133 residues pruned to eliminate duplicates Z: 79 65.569 2.278 0.957 0.617 0.936 0.564 CA 1.593 79 residues pruned to eliminate duplicates Z: 55 46.700 2.202 0.978 0.599 0.889 0.593 CB 1.493 55 residues pruned to eliminate duplicates Z: 128 87.575 2.322 0.981 0.642 0.890 0.630 CA 1.662 128 residues pruned to eliminate duplicates Z: 15 12.189 2.118 0.731 0.309 0.857 0.286 CB 1.282 15 residues pruned to eliminate duplicates Z: 24 33.308 2.354 0.898 0.627 0.870 0.696 CB 1.587 24 residues pruned to eliminate duplicates Z: 82 58.963 2.281 0.916 0.585 0.864 0.593 CA 1.599 82 residues pruned to eliminate duplicates Z: 120 64.671 2.210 0.893 0.532 0.908 0.605 CB 1.513 120 residues pruned to eliminate duplicates Z: 103 87.374 2.329 0.986 0.675 0.941 0.627 CA 1.692 103 residues pruned to eliminate duplicates Z: 134 91.426 2.295 1.010 0.634 0.895 0.594 CA 1.693 134 residues pruned to eliminate duplicates Z: 129 90.943 2.319 0.967 0.664 0.914 0.609 CA 1.656 129 residues pruned to eliminate duplicates Z: 132 81.355 2.278 0.852 0.616 0.908 0.611 CA 1.661 132 residues pruned to eliminate duplicates Z: 12 20.161 2.076 0.968 0.739 0.818 0.727 CB 1.468 12 residues pruned to eliminate duplicates Z: 31 34.045 2.163 1.151 0.555 0.867 0.533 CB 1.461 31 residues pruned to eliminate duplicates Z: 30 34.144 2.164 0.980 0.562 0.931 0.586 CA 1.496 30 residues pruned to eliminate duplicates Z: 49 44.409 2.257 0.878 0.559 0.917 0.479 CB 1.557 49 residues pruned to eliminate duplicates Z: 125 87.259 2.293 1.027 0.621 0.903 0.524 CB 1.665 125 residues pruned to eliminate duplicates Z: 127 94.372 2.320 1.015 0.673 0.929 0.579 CB 1.652 127 residues pruned to eliminate duplicates Z: 11 21.251 2.069 0.927 0.845 0.900 0.400 CB 1.393 11 residues pruned to eliminate duplicates Z: 56 46.345 2.202 0.933 0.565 0.873 0.527 CB 1.579 56 residues pruned to eliminate duplicates Z: 53 40.260 2.194 0.894 0.536 0.846 0.346 CB 1.534 53 residues pruned to eliminate duplicates Z: 27 34.102 2.182 1.017 0.531 0.885 0.346 CA 1.665 27 residues pruned to eliminate duplicates Z: 104 78.491 2.300 0.951 0.648 0.913 0.621 CA 1.646 104 residues pruned to eliminate duplicates Z: 56 41.502 2.187 0.980 0.558 0.836 0.455 CB 1.461 56 residues pruned to eliminate duplicates Z: 132 89.196 2.297 0.952 0.650 0.916 0.580 CA 1.650 132 residues pruned to eliminate duplicates Z: 135 82.140 2.263 0.944 0.629 0.881 0.545 CA 1.622 135 residues pruned to eliminate duplicates Z: 19 23.440 2.293 0.840 0.497 0.833 0.667 CA 1.576 19 residues pruned to eliminate duplicates Z: 127 87.424 2.314 0.932 0.653 0.897 0.587 CB 1.684 127 residues pruned to eliminate duplicates Z: 22 18.348 2.114 0.890 0.475 0.714 0.476 CA 1.439 22 residues pruned to eliminate duplicates Z: 132 88.326 2.286 0.944 0.647 0.908 0.588 CA 1.667 132 residues pruned to eliminate duplicates Z: 28 28.770 2.178 0.924 0.556 0.815 0.481 CB 1.536 28 residues pruned to eliminate duplicates Z: 130 91.091 2.304 1.010 0.651 0.891 0.581 CB 1.687 130 residues pruned to eliminate duplicates Z: 20 23.260 2.186 0.842 0.473 0.947 0.368 CA 1.439 20 residues pruned to eliminate duplicates Z: 21 20.390 2.110 0.821 0.461 0.900 0.450 CA 1.372 21 residues pruned to eliminate duplicates Z: 54 41.496 2.215 0.925 0.562 0.830 0.509 CB 1.517 54 residues pruned to eliminate duplicates Z: 28 32.640 2.184 0.866 0.542 0.926 0.593 CA 1.597 28 residues pruned to eliminate duplicates Z: 71 46.337 2.285 0.647 0.459 0.886 0.571 CB 1.732 71 residues pruned to eliminate duplicates Z: 117 65.142 2.256 0.790 0.526 0.888 0.534 CB 1.644 117 residues pruned to eliminate duplicates Z: 74 49.722 2.278 0.714 0.506 0.890 0.589 CA 1.664 74 residues pruned to eliminate duplicates Z: 84 55.211 2.239 0.774 0.497 0.916 0.590 CA 1.671 84 residues pruned to eliminate duplicates Z: 66 49.313 2.260 0.712 0.535 0.938 0.538 CB 1.628 66 residues pruned to eliminate duplicates Z: 186 95.377 2.274 0.830 0.600 0.935 0.600 CB 1.638 186 residues pruned to eliminate duplicates Z: 177 99.054 2.297 0.943 0.609 0.903 0.528 CB 1.670 177 residues pruned to eliminate duplicates Z: 194 102.850 2.293 0.877 0.610 0.938 0.606 CB 1.652 194 residues pruned to eliminate duplicates Z: 44 41.092 2.364 0.592 0.559 0.907 0.628 CA 1.733 44 residues pruned to eliminate duplicates Z: 16 21.916 2.265 0.579 0.584 0.867 0.667 CA 1.685 16 residues pruned to eliminate duplicates Z: 64 55.297 2.241 0.913 0.563 0.921 0.540 CA 1.661 64 residues pruned to eliminate duplicates Z: 67 46.319 2.277 0.538 0.519 0.970 0.667 CB 1.649 67 residues pruned to eliminate duplicates Z: 52 46.719 2.324 0.717 0.505 0.961 0.647 CA 1.698 52 residues pruned to eliminate duplicates Z: 57 47.882 2.277 0.787 0.518 0.964 0.625 CB 1.602 57 residues pruned to eliminate duplicates Z: 52 41.202 2.288 0.550 0.534 0.961 0.725 CA 1.638 52 residues pruned to eliminate duplicates Z: 63 50.895 2.308 0.571 0.586 0.984 0.790 CB 1.668 63 residues pruned to eliminate duplicates Z: 66 44.381 2.296 0.502 0.524 0.969 0.723 CB 1.609 66 residues pruned to eliminate duplicates Z: 68 46.041 2.234 0.643 0.490 0.940 0.597 CA 1.647 68 residues pruned to eliminate duplicates Z: 62 52.638 2.309 0.674 0.549 0.984 0.689 CA 1.689 62 residues pruned to eliminate duplicates Z: 66 48.603 2.305 0.561 0.528 0.969 0.692 CA 1.682 66 residues pruned to eliminate duplicates Z: 67 48.325 2.276 0.644 0.506 0.970 0.682 CA 1.630 67 residues pruned to eliminate duplicates Z: 65 54.982 2.302 0.806 0.538 0.984 0.672 CB 1.619 65 residues pruned to eliminate duplicates Z: 65 56.066 2.296 0.740 0.559 1.000 0.672 CA 1.657 65 residues pruned to eliminate duplicates Z: 68 52.333 2.286 0.742 0.511 0.955 0.716 CA 1.663 68 residues pruned to eliminate duplicates Z: 104 52.032 2.176 0.741 0.484 0.903 0.592 CB 1.524 104 residues pruned to eliminate duplicates Z: 67 52.812 2.266 0.774 0.532 0.955 0.682 CB 1.642 67 residues pruned to eliminate duplicates Z: 51 47.552 2.333 0.713 0.521 0.940 0.640 CB 1.753 51 residues pruned to eliminate duplicates Z: 68 53.066 2.281 0.740 0.515 0.970 0.701 CB 1.659 68 residues pruned to eliminate duplicates Z: 68 46.269 2.260 0.639 0.536 0.925 0.761 CB 1.592 68 residues pruned to eliminate duplicates Z: 67 54.671 2.296 0.829 0.518 0.955 0.697 CA 1.649 67 residues pruned to eliminate duplicates Z: 54 50.826 2.313 0.862 0.481 0.962 0.585 CA 1.718 54 residues pruned to eliminate duplicates Z: 50 44.165 2.284 0.733 0.548 0.939 0.592 CA 1.619 50 residues pruned to eliminate duplicates Z: 66 53.587 2.318 0.726 0.535 0.954 0.723 CB 1.682 66 residues pruned to eliminate duplicates Z: 48 50.837 2.356 0.795 0.542 0.979 0.745 CB 1.718 48 residues pruned to eliminate duplicates Z: 53 53.001 2.333 0.849 0.509 0.981 0.654 CA 1.722 53 residues pruned to eliminate duplicates Z: 67 51.684 2.297 0.827 0.511 0.909 0.621 CB 1.650 67 residues pruned to eliminate duplicates Z: 66 49.588 2.289 0.698 0.535 0.938 0.662 CB 1.630 66 residues pruned to eliminate duplicates Z: 66 52.898 2.306 0.803 0.513 0.938 0.692 CB 1.661 66 residues pruned to eliminate duplicates Z: 52 51.541 2.334 0.862 0.510 0.941 0.627 CB 1.746 52 residues pruned to eliminate duplicates Z: 65 55.130 2.300 0.764 0.544 0.984 0.625 CB 1.653 65 residues pruned to eliminate duplicates Z: 50 46.543 2.345 0.716 0.535 0.939 0.694 CA 1.700 50 residues pruned to eliminate duplicates Z: 43 32.315 2.207 0.607 0.505 0.929 0.595 CB 1.507 43 residues pruned to eliminate duplicates Z: 70 47.586 2.256 0.724 0.507 0.942 0.681 CB 1.552 70 residues pruned to eliminate duplicates Z: 50 46.180 2.314 0.769 0.539 0.918 0.694 CB 1.689 50 residues pruned to eliminate duplicates Z: 68 49.601 2.269 0.706 0.513 0.940 0.657 CB 1.642 68 residues pruned to eliminate duplicates Z: 64 50.080 2.274 0.723 0.549 0.952 0.714 CB 1.611 64 residues pruned to eliminate duplicates Z: 67 54.809 2.272 0.817 0.511 0.955 0.667 CB 1.694 67 residues pruned to eliminate duplicates Z: 67 47.205 2.252 0.735 0.500 0.909 0.667 CB 1.637 67 residues pruned to eliminate duplicates Z: 66 51.832 2.261 0.775 0.515 0.954 0.692 CB 1.655 66 residues pruned to eliminate duplicates Z: 32 19.540 2.028 0.628 0.399 0.903 0.613 CB 1.308 32 residues pruned to eliminate duplicates Z: 6 6.592 1.689 0.518 0.471 1.000 0.600 CA 1.184 6 residues pruned to eliminate duplicates Z: 54 42.646 2.193 0.892 0.489 0.962 0.604 CB 1.484 54 residues pruned to eliminate duplicates Z: 29 25.003 2.150 0.587 0.469 0.964 0.750 CB 1.482 29 residues pruned to eliminate duplicates Z: 66 50.443 2.314 0.767 0.515 0.923 0.708 CB 1.633 66 residues pruned to eliminate duplicates Z: 32 25.459 2.063 0.707 0.415 0.968 0.774 CB 1.466 32 residues pruned to eliminate duplicates Z: 68 49.638 2.279 0.734 0.505 0.925 0.716 CA 1.649 68 residues pruned to eliminate duplicates Z: 68 48.594 2.266 0.671 0.511 0.955 0.672 CB 1.624 67 residues pruned to eliminate duplicates Z: 12 18.784 2.020 0.508 0.723 1.000 0.636 CA 1.520 12 residues pruned to eliminate duplicates Z: 11 17.538 2.097 0.354 0.713 1.000 0.700 CB 1.610 11 residues pruned to eliminate duplicates Z: 65 52.652 2.301 0.711 0.519 0.984 0.703 CB 1.667 65 residues pruned to eliminate duplicates Z: 66 54.437 2.290 0.844 0.505 0.938 0.569 CB 1.695 66 residues pruned to eliminate duplicates Z: 67 52.431 2.298 0.794 0.506 0.939 0.652 CB 1.657 68 residues pruned to eliminate duplicates Z: 10 14.925 2.000 0.400 0.796 0.889 0.444 CB 1.542 10 residues pruned to eliminate duplicates Z: 46 36.362 2.215 0.731 0.485 0.911 0.644 CB 1.576 46 residues pruned to eliminate duplicates Z: 66 47.297 2.228 0.753 0.504 0.908 0.569 CB 1.648 65 residues pruned to eliminate duplicates Z: 11 14.025 1.850 0.547 0.741 1.000 0.700 CB 1.249 11 residues pruned to eliminate duplicates Z: 38 28.846 2.041 0.728 0.550 0.811 0.541 CB 1.580 38 residues pruned to eliminate duplicates Z: 10 20.827 2.043 0.429 0.905 1.000 0.889 CA 1.693 10 residues pruned to eliminate duplicates Z: 11 22.647 1.925 0.698 0.892 1.000 0.900 N 1.574 11 residues pruned to eliminate duplicates Z: 12 24.470 1.887 0.954 0.856 0.909 0.545 CB 1.623 12 residues pruned to eliminate duplicates Z: 15 13.989 1.798 0.550 0.611 0.786 0.429 N 1.537 15 residues pruned to eliminate duplicates Z: 16 18.461 1.934 0.818 0.673 0.867 0.533 CB 1.334 16 residues pruned to eliminate duplicates Z: 61 23.497 1.884 0.599 0.430 0.850 0.483 CB 1.273 61 residues pruned to eliminate duplicates Z: 11 21.766 1.868 0.809 0.888 1.000 0.600 CB 1.467 11 residues pruned to eliminate duplicates Z: 31 26.866 2.040 0.673 0.578 0.933 0.367 CB 1.429 31 residues pruned to eliminate duplicates Z: 17 20.574 1.921 0.553 0.728 0.938 0.688 CB 1.497 17 residues pruned to eliminate duplicates Z: 36 18.674 1.954 0.579 0.418 0.829 0.543 CB 1.345 36 residues pruned to eliminate duplicates Z: 31 25.671 2.028 0.696 0.586 0.833 0.500 CB 1.505 31 residues pruned to eliminate duplicates Z: 8 6.313 1.473 0.282 0.676 1.000 0.571 CA 1.075 8 residues pruned to eliminate duplicates Z: 19 16.123 2.033 0.549 0.427 0.944 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 49 26.072 1.833 0.729 0.610 0.917 0.625 CB 1.168 48 residues pruned to eliminate duplicates Z: 9 7.577 1.670 0.564 0.493 0.875 0.750 CA 1.181 9 residues pruned to eliminate duplicates Z: 39 19.221 1.936 0.423 0.450 0.868 0.579 CB 1.372 39 residues pruned to eliminate duplicates Z: 38 19.278 1.917 0.572 0.481 0.811 0.595 CB 1.323 38 residues pruned to eliminate duplicates Z: 34 21.676 1.977 0.628 0.591 0.848 0.424 CB 1.267 34 residues pruned to eliminate duplicates Z: 22 15.156 1.977 0.456 0.416 0.810 0.429 CB 1.550 22 residues pruned to eliminate duplicates Z: 21 18.574 2.061 0.522 0.509 0.900 0.550 CB 1.458 21 residues pruned to eliminate duplicates Z: 30 28.879 2.103 0.680 0.636 0.897 0.483 CB 1.491 30 residues pruned to eliminate duplicates Z: 31 29.583 2.054 0.715 0.624 0.900 0.400 CB 1.516 31 residues pruned to eliminate duplicates Z: 31 26.811 2.048 0.766 0.563 0.833 0.500 CB 1.528 31 residues pruned to eliminate duplicates Z: 47 30.170 1.986 0.717 0.548 0.891 0.478 CB 1.396 47 residues pruned to eliminate duplicates Z: 32 29.004 2.050 0.775 0.603 0.871 0.516 CB 1.490 32 residues pruned to eliminate duplicates Z: 20 17.371 2.098 0.503 0.474 0.789 0.579 CB 1.643 20 residues pruned to eliminate duplicates Z: 32 25.139 2.038 0.555 0.580 0.903 0.387 CB 1.460 32 residues pruned to eliminate duplicates Z: 46 22.252 1.965 0.635 0.489 0.800 0.511 CB 1.306 46 residues pruned to eliminate duplicates Z: 69 23.404 1.862 0.545 0.471 0.853 0.500 CB 1.191 69 residues pruned to eliminate duplicates Z: 18 16.930 1.967 0.746 0.572 0.824 0.647 CB 1.354 18 residues pruned to eliminate duplicates Z: 49 29.096 1.973 0.677 0.520 0.875 0.479 CB 1.423 49 residues pruned to eliminate duplicates Z: 64 30.871 1.966 0.628 0.504 0.937 0.587 CB 1.293 64 residues pruned to eliminate duplicates Z: 24 17.971 1.880 0.691 0.558 0.957 0.739 CB 1.165 24 residues pruned to eliminate duplicates Z: 49 34.809 2.023 0.721 0.522 1.000 0.667 CB 1.411 49 residues pruned to eliminate duplicates Z: 22 15.966 1.842 0.544 0.521 1.000 0.619 CB 1.200 22 residues pruned to eliminate duplicates Z: 21 13.078 1.819 0.348 0.494 0.950 0.650 CB 1.263 21 residues pruned to eliminate duplicates Z: 28 16.092 1.770 0.653 0.450 1.000 0.630 CB 1.114 28 residues pruned to eliminate duplicates Z: 45 36.933 2.083 0.806 0.562 1.000 0.750 CB 1.393 45 residues pruned to eliminate duplicates Z: 49 30.743 2.026 0.735 0.499 0.917 0.667 CB 1.379 49 residues pruned to eliminate duplicates Z: 18 14.326 1.873 0.689 0.612 0.882 0.706 CB 1.120 18 residues pruned to eliminate duplicates Z: 42 28.266 2.089 0.695 0.499 0.902 0.585 CB 1.383 42 residues pruned to eliminate duplicates Z: 125 68.974 2.205 0.819 0.585 0.935 0.556 CB 1.521 125 residues pruned to eliminate duplicates Z: 12 13.470 1.895 0.454 0.486 1.000 0.545 CA 1.494 12 residues pruned to eliminate duplicates Z: 96 55.499 2.194 0.820 0.609 0.874 0.516 CB 1.472 96 residues pruned to eliminate duplicates Z: 99 63.024 2.273 0.750 0.672 0.898 0.704 CB 1.521 99 residues pruned to eliminate duplicates Z: 100 63.502 2.232 0.765 0.682 0.889 0.616 CB 1.542 100 residues pruned to eliminate duplicates Z: 130 77.397 2.269 0.831 0.670 0.891 0.628 CB 1.572 130 residues pruned to eliminate duplicates Z: 61 46.630 2.224 0.685 0.645 0.900 0.633 CB 1.559 44 residues pruned to eliminate duplicates Z: 7 5.134 1.586 0.737 0.535 0.833 0.500 CA 0.883 7 residues pruned to eliminate duplicates Z: 126 78.240 2.266 0.800 0.667 0.936 0.656 CB 1.571 126 residues pruned to eliminate duplicates Z: 110 77.814 2.295 0.933 0.680 0.936 0.661 CB 1.521 110 residues pruned to eliminate duplicates Z: 93 75.459 2.293 0.863 0.729 0.935 0.609 CB 1.603 93 residues pruned to eliminate duplicates Z: 90 79.785 2.328 0.977 0.728 0.933 0.640 CB 1.605 90 residues pruned to eliminate duplicates Z: 120 72.944 2.246 0.775 0.676 0.916 0.647 CB 1.557 120 residues pruned to eliminate duplicates Z: 79 69.390 2.314 0.812 0.733 0.936 0.564 CB 1.624 79 residues pruned to eliminate duplicates Z: 96 70.557 2.293 0.812 0.695 0.916 0.632 CB 1.592 96 residues pruned to eliminate duplicates Z: 132 71.896 2.242 0.837 0.639 0.901 0.588 CB 1.486 132 residues pruned to eliminate duplicates Z: 89 77.597 2.315 1.021 0.726 0.920 0.636 CB 1.567 89 residues pruned to eliminate duplicates Z: 27 43.622 2.336 1.127 0.656 0.885 0.577 CB 1.684 27 residues pruned to eliminate duplicates Z: 132 73.030 2.242 0.863 0.638 0.908 0.588 CB 1.478 132 residues pruned to eliminate duplicates Z: 38 47.584 2.237 1.101 0.667 0.919 0.595 CB 1.552 38 residues pruned to eliminate duplicates Z: 139 79.008 2.228 0.906 0.645 0.913 0.594 CB 1.514 139 residues pruned to eliminate duplicates Z: 77 70.328 2.334 0.894 0.717 0.921 0.684 CB 1.629 77 residues pruned to eliminate duplicates Z: 113 76.801 2.293 0.911 0.693 0.929 0.536 CB 1.495 113 residues pruned to eliminate duplicates Z: 75 69.278 2.317 0.850 0.712 0.946 0.608 CB 1.639 75 residues pruned to eliminate duplicates Z: 88 71.109 2.316 0.760 0.742 0.931 0.701 CB 1.616 88 residues pruned to eliminate duplicates Z: 127 75.012 2.256 0.853 0.651 0.921 0.659 CB 1.509 127 residues pruned to eliminate duplicates Z: 131 79.402 2.259 0.884 0.667 0.915 0.615 CB 1.531 131 residues pruned to eliminate duplicates Z: 100 72.701 2.288 0.826 0.689 0.939 0.616 CB 1.565 100 residues pruned to eliminate duplicates Z: 74 62.230 2.280 0.977 0.669 0.890 0.562 CB 1.552 74 residues pruned to eliminate duplicates Z: 127 75.080 2.248 0.867 0.641 0.921 0.651 CB 1.518 127 residues pruned to eliminate duplicates Z: 125 74.392 2.245 0.871 0.656 0.903 0.597 CB 1.524 125 residues pruned to eliminate duplicates Z: 111 71.413 2.294 0.809 0.687 0.900 0.591 CB 1.537 111 residues pruned to eliminate duplicates Z: 112 80.400 2.317 0.899 0.694 0.937 0.613 CB 1.550 112 residues pruned to eliminate duplicates Z: 86 72.039 2.305 0.921 0.699 0.918 0.576 CB 1.604 86 residues pruned to eliminate duplicates Z: 130 72.694 2.243 0.880 0.627 0.868 0.643 CB 1.552 130 residues pruned to eliminate duplicates Z: 97 76.368 2.297 0.818 0.719 0.948 0.698 CB 1.616 97 residues pruned to eliminate duplicates Z: 116 77.436 2.283 0.826 0.678 0.939 0.609 CB 1.566 116 residues pruned to eliminate duplicates Z: 127 77.757 2.262 0.854 0.659 0.929 0.595 CB 1.534 127 residues pruned to eliminate duplicates Z: 63 65.257 2.307 0.895 0.756 0.919 0.710 CB 1.641 63 residues pruned to eliminate duplicates Z: 136 70.645 2.216 0.823 0.634 0.919 0.622 CB 1.445 136 residues pruned to eliminate duplicates Z: 122 75.993 2.264 0.828 0.675 0.909 0.612 CB 1.562 122 residues pruned to eliminate duplicates Z: 108 87.433 2.321 0.966 0.704 0.925 0.664 CB 1.663 108 residues pruned to eliminate duplicates Z: 126 75.914 2.241 0.892 0.636 0.912 0.640 CB 1.547 126 residues pruned to eliminate duplicates Z: 134 73.873 2.233 0.820 0.627 0.932 0.586 CB 1.501 134 residues pruned to eliminate duplicates Z: 130 76.626 2.248 0.822 0.652 0.922 0.643 CB 1.551 130 residues pruned to eliminate duplicates Z: 130 69.390 2.235 0.880 0.622 0.853 0.504 CB 1.519 130 residues pruned to eliminate duplicates Z: 81 64.847 2.289 0.936 0.672 0.900 0.562 CB 1.550 81 residues pruned to eliminate duplicates Z: 129 82.957 2.272 0.935 0.658 0.922 0.641 CB 1.563 129 residues pruned to eliminate duplicates Z: 87 82.745 2.328 0.914 0.736 0.977 0.651 CB 1.658 87 residues pruned to eliminate duplicates Z: 82 65.623 2.281 0.915 0.663 0.938 0.568 CB 1.530 82 residues pruned to eliminate duplicates Z: 85 63.055 2.262 0.884 0.659 0.881 0.560 CB 1.580 85 residues pruned to eliminate duplicates Z: 127 76.146 2.253 0.885 0.670 0.905 0.667 CB 1.509 127 residues pruned to eliminate duplicates Z: 110 72.911 2.277 0.929 0.681 0.899 0.569 CB 1.497 110 residues pruned to eliminate duplicates Z: 129 76.778 2.259 0.851 0.662 0.906 0.602 CB 1.540 129 residues pruned to eliminate duplicates Z: 43 47.381 2.271 0.894 0.683 0.905 0.643 CA 1.587 43 residues pruned to eliminate duplicates Z: 132 75.641 2.245 0.961 0.646 0.878 0.557 CB 1.492 132 residues pruned to eliminate duplicates Z: 130 86.305 2.257 0.987 0.663 0.922 0.651 CB 1.579 130 residues pruned to eliminate duplicates Z: 133 81.752 2.246 0.982 0.645 0.932 0.553 CB 1.499 133 residues pruned to eliminate duplicates Z: 114 74.007 2.246 1.006 0.626 0.912 0.540 CB 1.506 114 residues pruned to eliminate duplicates Z: 78 59.631 2.228 0.789 0.681 0.935 0.662 CB 1.544 78 residues pruned to eliminate duplicates Z: 91 76.878 2.304 0.957 0.699 0.944 0.578 CB 1.587 91 residues pruned to eliminate duplicates Z: 40 47.825 2.340 0.827 0.719 0.897 0.667 CB 1.637 40 residues pruned to eliminate duplicates Z: 104 79.522 2.284 0.951 0.674 0.942 0.563 CB 1.590 104 residues pruned to eliminate duplicates Z: 77 70.381 2.327 1.030 0.684 0.908 0.500 CB 1.591 77 residues pruned to eliminate duplicates Z: 41 46.871 2.328 0.798 0.711 0.900 0.775 CB 1.625 41 residues pruned to eliminate duplicates Z: 90 77.463 2.309 0.951 0.713 0.921 0.618 CB 1.631 90 residues pruned to eliminate duplicates Z: 110 78.774 2.293 0.894 0.706 0.917 0.642 CB 1.570 110 residues pruned to eliminate duplicates Z: 129 76.375 2.250 0.919 0.656 0.891 0.578 CB 1.519 129 residues pruned to eliminate duplicates Z: 119 83.122 2.273 0.970 0.675 0.949 0.610 CB 1.533 119 residues pruned to eliminate duplicates Z: 100 70.908 2.252 0.938 0.666 0.919 0.576 CB 1.523 100 residues pruned to eliminate duplicates Z: 115 79.067 2.298 0.901 0.676 0.939 0.526 CB 1.535 115 residues pruned to eliminate duplicates Z: 109 82.470 2.299 0.940 0.689 0.944 0.583 CB 1.585 109 residues pruned to eliminate duplicates Z: 93 63.566 2.269 0.804 0.644 0.902 0.685 CB 1.570 93 residues pruned to eliminate duplicates Z: 62 55.193 2.254 0.839 0.671 0.918 0.623 CB 1.585 62 residues pruned to eliminate duplicates Z: 53 48.023 2.194 0.902 0.657 0.885 0.558 CB 1.559 53 residues pruned to eliminate duplicates Z: 79 50.422 2.179 0.890 0.630 0.859 0.564 CB 1.428 79 residues pruned to eliminate duplicates Z: 98 78.308 2.302 0.958 0.695 0.938 0.608 CB 1.574 98 residues pruned to eliminate duplicates Z: 87 80.683 2.323 1.104 0.717 0.919 0.640 CB 1.592 87 residues pruned to eliminate duplicates Z: 131 81.575 2.254 0.955 0.667 0.915 0.569 CB 1.520 131 residues pruned to eliminate duplicates Z: 113 82.607 2.300 1.015 0.677 0.929 0.536 CB 1.542 113 residues pruned to eliminate duplicates Z: 94 73.359 2.277 1.053 0.665 0.903 0.495 CB 1.546 94 residues pruned to eliminate duplicates Z: 129 72.156 2.263 0.835 0.636 0.906 0.625 CB 1.491 129 residues pruned to eliminate duplicates Z: 115 84.854 2.298 1.032 0.691 0.939 0.544 CB 1.523 115 residues pruned to eliminate duplicates Z: 115 79.621 2.301 0.952 0.679 0.939 0.596 CB 1.500 115 residues pruned to eliminate duplicates Z: 90 74.025 2.300 0.956 0.708 0.933 0.539 CB 1.548 90 residues pruned to eliminate duplicates Z: 117 80.705 2.280 0.920 0.681 0.922 0.569 CB 1.571 117 residues pruned to eliminate duplicates Z: 87 80.601 2.310 1.067 0.691 0.930 0.547 CB 1.643 87 residues pruned to eliminate duplicates Z: 52 36.152 2.172 0.801 0.581 0.922 0.588 CB 1.298 52 residues pruned to eliminate duplicates Z: 117 68.451 2.222 0.830 0.641 0.914 0.586 CB 1.499 117 residues pruned to eliminate duplicates Z: 47 36.424 2.181 0.760 0.589 0.870 0.543 CB 1.476 47 residues pruned to eliminate duplicates Z: 89 66.046 2.279 0.818 0.694 0.932 0.625 CB 1.528 89 residues pruned to eliminate duplicates Z: 132 74.936 2.220 0.972 0.637 0.901 0.511 CB 1.460 132 residues pruned to eliminate duplicates Z: 111 68.605 2.229 0.862 0.666 0.909 0.618 CB 1.487 111 residues pruned to eliminate duplicates Z: 54 38.058 2.150 0.849 0.576 0.887 0.528 CB 1.379 54 residues pruned to eliminate duplicates Z: 40 23.392 2.092 0.763 0.470 0.821 0.564 CB 1.276 40 residues pruned to eliminate duplicates Z: 18 16.395 2.120 0.749 0.597 0.882 0.412 CB 1.107 18 residues pruned to eliminate duplicates Z: 36 21.604 2.070 0.719 0.451 0.829 0.571 CB 1.303 36 residues pruned to eliminate duplicates Z: 128 74.908 2.228 0.905 0.641 0.906 0.559 CB 1.515 128 residues pruned to eliminate duplicates Z: 31 27.390 2.149 0.819 0.556 0.867 0.600 CB 1.398 31 residues pruned to eliminate duplicates Z: 43 27.567 2.078 0.769 0.512 0.905 0.524 CB 1.264 43 residues pruned to eliminate duplicates Z: 33 20.842 2.059 0.802 0.489 0.781 0.469 CB 1.285 33 residues pruned to eliminate duplicates Z: 119 75.955 2.268 0.973 0.668 0.898 0.551 CB 1.489 119 residues pruned to eliminate duplicates Z: 41 27.948 2.113 0.838 0.495 0.850 0.550 CB 1.346 41 residues pruned to eliminate duplicates Z: 55 34.945 2.123 0.928 0.562 0.833 0.500 CB 1.313 55 residues pruned to eliminate duplicates Z: 33 22.423 2.131 0.801 0.518 0.812 0.500 CB 1.249 33 residues pruned to eliminate duplicates Z: 28 24.492 2.075 1.036 0.481 0.815 0.519 CB 1.396 28 residues pruned to eliminate duplicates Z: 37 23.881 2.092 0.800 0.478 0.861 0.528 CB 1.255 37 residues pruned to eliminate duplicates Z: 30 21.739 2.093 0.750 0.520 0.862 0.552 CB 1.254 30 residues pruned to eliminate duplicates Z: 131 68.858 2.218 0.878 0.618 0.908 0.562 CB 1.429 131 residues pruned to eliminate duplicates Z: 73 34.541 1.975 0.765 0.489 0.917 0.611 CB 1.287 73 residues pruned to eliminate duplicates Z: 31 21.381 2.070 0.869 0.504 0.800 0.433 CB 1.256 31 residues pruned to eliminate duplicates Z: 55 32.417 2.078 0.778 0.542 0.889 0.444 CB 1.290 55 residues pruned to eliminate duplicates Z: 26 16.826 2.046 0.846 0.452 0.760 0.280 CB 1.231 26 residues pruned to eliminate duplicates Z: 88 33.533 1.953 0.682 0.487 0.874 0.483 CB 1.270 88 residues pruned to eliminate duplicates Z: 30 21.349 2.084 0.701 0.532 0.828 0.448 CB 1.309 30 residues pruned to eliminate duplicates Z: 131 77.570 2.270 0.925 0.648 0.900 0.562 CB 1.507 131 residues pruned to eliminate duplicates Z: 15 13.636 1.968 0.642 0.366 0.857 0.571 CA 1.520 15 residues pruned to eliminate duplicates Z: 40 29.018 2.140 0.712 0.572 0.897 0.590 CB 1.318 40 residues pruned to eliminate duplicates Z: 127 80.298 2.267 0.942 0.651 0.921 0.587 CB 1.533 127 residues pruned to eliminate duplicates Z: 49 26.632 2.032 0.746 0.533 0.812 0.417 CB 1.292 49 residues pruned to eliminate duplicates Z: 35 25.967 2.104 0.829 0.477 0.882 0.559 CB 1.342 35 residues pruned to eliminate duplicates Z: 32 19.294 2.058 0.739 0.483 0.774 0.484 CB 1.273 32 residues pruned to eliminate duplicates Z: 15 7.999 1.840 0.132 0.573 0.714 0.429 CB 1.339 15 residues pruned to eliminate duplicates Z: 16 9.795 1.824 0.379 0.557 0.733 0.467 CB 1.297 16 residues pruned to eliminate duplicates Z: 18 11.541 1.727 0.648 0.545 0.765 0.471 CB 1.231 18 residues pruned to eliminate duplicates Z: 16 9.715 1.807 0.389 0.558 0.800 0.733 CB 1.181 16 residues pruned to eliminate duplicates Z: 15 10.168 1.833 0.395 0.581 0.714 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 16 10.059 1.805 0.383 0.506 0.800 0.467 CA 1.292 16 residues pruned to eliminate duplicates Z: 18 7.310 1.825 0.200 0.534 0.706 0.529 CB 1.109 18 residues pruned to eliminate duplicates Z: 12 9.174 1.853 0.131 0.712 0.818 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 14 11.324 1.909 0.186 0.637 0.846 0.615 CB 1.442 14 residues pruned to eliminate duplicates Z: 19 8.950 1.807 0.338 0.520 0.778 0.556 CB 1.099 19 residues pruned to eliminate duplicates Z: 34 19.951 1.892 0.602 0.494 0.818 0.545 CB 1.409 34 residues pruned to eliminate duplicates Z: 16 12.118 1.836 0.396 0.571 0.867 0.533 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 9.758 1.779 0.359 0.542 0.800 0.533 CB 1.250 16 residues pruned to eliminate duplicates Z: 40 14.595 1.714 0.568 0.412 0.821 0.436 CB 1.162 32 residues pruned to eliminate duplicates Z: 6 4.410 1.790 0.775 0.262 0.600 0.400 CA 1.358 6 residues pruned to eliminate duplicates Z: 8 4.122 1.825 0.282 0.170 0.714 0.429 N 1.392 8 residues pruned to eliminate duplicates Z: 35 19.540 1.958 0.605 0.386 0.824 0.500 CB 1.461 69 residues pruned to eliminate duplicates Z: 34 15.430 1.818 0.353 0.552 0.909 0.667 CB 1.142 Z: 7 5.043 1.654 0.667 0.295 0.833 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 26 20.480 1.848 0.532 0.677 1.000 0.680 CB 1.230 27 residues pruned to eliminate duplicates Z: 17 12.342 1.848 0.181 0.800 1.000 0.938 CB 1.088 17 residues pruned to eliminate duplicates Z: 10 8.470 1.742 0.509 0.470 0.778 0.444 N 1.424 10 residues pruned to eliminate duplicates Z: 32 17.689 1.835 0.342 0.689 0.903 0.742 CB 1.201 33 residues pruned to eliminate duplicates Z: 16 13.536 1.811 0.366 0.840 0.933 0.600 CB 1.130 16 residues pruned to eliminate duplicates Z: 22 12.453 1.821 0.241 0.610 0.905 0.762 CB 1.198 22 residues pruned to eliminate duplicates Z: 26 16.142 1.876 0.469 0.638 0.840 0.640 CB 1.225 26 residues pruned to eliminate duplicates Z: 33 17.748 1.877 0.600 0.517 0.875 0.562 CB 1.175 35 residues pruned to eliminate duplicates Z: 18 19.544 1.805 0.804 0.812 0.882 0.235 CB 1.257 18 residues pruned to eliminate duplicates Z: 28 18.404 1.831 0.672 0.581 0.889 0.444 CB 1.204 28 residues pruned to eliminate duplicates Z: 29 14.847 1.817 0.531 0.603 0.893 0.464 CB 1.024 29 residues pruned to eliminate duplicates Z: 28 15.805 1.799 0.519 0.636 0.926 0.481 CB 1.059 28 residues pruned to eliminate duplicates Z: 25 15.699 1.805 0.815 0.597 0.917 0.458 CB 0.972 25 residues pruned to eliminate duplicates Z: 22 18.945 1.867 0.757 0.741 0.952 0.476 CB 1.066 22 residues pruned to eliminate duplicates Z: 24 19.942 1.851 0.711 0.695 0.957 0.522 CB 1.148 24 residues pruned to eliminate duplicates Z: 21 20.496 1.893 0.772 0.730 0.900 0.750 CB 1.234 21 residues pruned to eliminate duplicates Z: 29 18.645 1.797 0.696 0.601 0.929 0.429 CB 1.131 29 residues pruned to eliminate duplicates Z: 27 14.630 1.760 0.489 0.583 0.962 0.423 CB 1.052 27 residues pruned to eliminate duplicates Z: 35 16.536 1.780 0.661 0.539 0.824 0.412 CB 1.121 35 residues pruned to eliminate duplicates Z: 35 16.487 1.781 0.614 0.497 0.794 0.412 CB 1.243 35 residues pruned to eliminate duplicates Z: 29 16.367 1.765 0.658 0.640 0.857 0.286 CB 1.082 29 residues pruned to eliminate duplicates Z: 77 29.949 1.852 0.499 0.611 0.868 0.605 CB 1.282 77 residues pruned to eliminate duplicates Z: 7 7.232 1.627 0.312 0.776 0.833 0.833 O 1.301 7 residues pruned to eliminate duplicates Z: 7 8.038 1.740 0.139 0.777 1.000 0.833 CB 1.297 7 residues pruned to eliminate duplicates Z: 8 5.382 1.604 0.321 0.580 0.857 0.429 CB 1.037 8 residues pruned to eliminate duplicates Z: 6 3.409 1.811 0.433 0.513 0.600 0.200 CB 0.967 6 residues pruned to eliminate duplicates Z: 37 23.782 1.914 0.560 0.603 0.861 0.611 CB 1.398 37 residues pruned to eliminate duplicates Z: 17 8.786 1.799 0.211 0.494 0.750 0.438 CB 1.352 17 residues pruned to eliminate duplicates Z: 36 20.457 1.919 0.423 0.615 0.857 0.571 CB 1.325 36 residues pruned to eliminate duplicates Z: 17 7.088 1.738 0.101 0.442 0.812 0.500 CB 1.209 17 residues pruned to eliminate duplicates Z: 59 25.642 1.827 0.515 0.601 0.897 0.586 CB 1.233 59 residues pruned to eliminate duplicates Z: 56 23.540 1.810 0.472 0.597 0.873 0.691 CB 1.245 56 residues pruned to eliminate duplicates Z: 47 23.473 1.894 0.448 0.657 0.870 0.696 CB 1.254 47 residues pruned to eliminate duplicates Z: 61 22.769 1.823 0.470 0.546 0.867 0.567 CB 1.210 61 residues pruned to eliminate duplicates Z: 49 25.162 1.873 0.493 0.653 0.917 0.667 CB 1.229 49 residues pruned to eliminate duplicates Z: 47 24.467 1.869 0.423 0.624 0.935 0.696 CB 1.291 47 residues pruned to eliminate duplicates Z: 55 25.438 1.850 0.503 0.618 0.852 0.648 CB 1.308 55 residues pruned to eliminate duplicates Z: 41 24.665 1.900 0.464 0.705 0.925 0.625 CB 1.259 41 residues pruned to eliminate duplicates Z: 33 26.925 1.991 0.507 0.708 0.938 0.688 CB 1.400 33 residues pruned to eliminate duplicates Z: 49 24.742 1.842 0.585 0.655 0.896 0.646 CB 1.182 49 residues pruned to eliminate duplicates Z: 46 28.852 1.892 0.607 0.694 0.933 0.733 CB 1.270 46 residues pruned to eliminate duplicates Z: 40 26.043 1.930 0.491 0.686 0.923 0.744 CB 1.324 40 residues pruned to eliminate duplicates Z: 57 25.775 1.842 0.530 0.630 0.875 0.625 CB 1.235 57 residues pruned to eliminate duplicates Z: 52 22.125 1.831 0.421 0.566 0.902 0.608 CB 1.238 52 residues pruned to eliminate duplicates Z: 58 24.368 1.852 0.484 0.650 0.877 0.667 CB 1.164 58 residues pruned to eliminate duplicates Z: 37 26.899 1.946 0.489 0.727 0.944 0.694 CB 1.334 37 residues pruned to eliminate duplicates Z: 47 18.775 1.731 0.570 0.511 0.848 0.543 CB 1.188 47 residues pruned to eliminate duplicates Z: 33 25.318 1.968 0.558 0.718 0.938 0.719 CB 1.277 33 residues pruned to eliminate duplicates Z: 87 29.905 1.887 0.488 0.532 0.837 0.547 CB 1.329 87 residues pruned to eliminate duplicates Z: 20 23.988 1.956 0.731 0.722 0.947 0.579 CB 1.404 20 residues pruned to eliminate duplicates Z: 38 31.184 1.959 0.633 0.692 0.946 0.676 CB 1.421 38 residues pruned to eliminate duplicates Z: 39 29.045 1.933 0.697 0.686 0.921 0.632 CB 1.315 39 residues pruned to eliminate duplicates Z: 54 23.111 1.818 0.580 0.641 0.906 0.491 CB 1.070 54 residues pruned to eliminate duplicates Z: 42 26.665 1.875 0.598 0.672 0.951 0.634 CB 1.246 42 residues pruned to eliminate duplicates Z: 39 27.749 1.942 0.599 0.677 0.921 0.711 CB 1.337 39 residues pruned to eliminate duplicates Z: 34 22.803 1.842 0.589 0.662 0.939 0.727 CB 1.243 34 residues pruned to eliminate duplicates Z: 45 25.145 1.883 0.502 0.632 0.909 0.636 CB 1.302 45 residues pruned to eliminate duplicates Z: 40 28.404 1.915 0.621 0.709 0.949 0.769 CB 1.277 40 residues pruned to eliminate duplicates Z: 27 21.793 1.890 0.722 0.660 0.846 0.654 CB 1.338 27 residues pruned to eliminate duplicates Z: 49 29.660 1.868 0.713 0.650 0.917 0.542 CB 1.270 49 residues pruned to eliminate duplicates Z: 47 24.266 1.870 0.511 0.640 0.870 0.522 CB 1.277 47 residues pruned to eliminate duplicates Z: 26 24.970 1.909 0.757 0.686 0.920 0.520 CB 1.364 26 residues pruned to eliminate duplicates Z: 114 38.365 1.848 0.597 0.552 0.929 0.566 CB 1.251 114 residues pruned to eliminate duplicates Z: 29 17.495 1.810 0.601 0.623 0.893 0.429 CB 1.138 29 residues pruned to eliminate duplicates Z: 60 27.686 1.830 0.554 0.608 0.915 0.627 CB 1.250 60 residues pruned to eliminate duplicates Z: 29 19.050 1.827 0.655 0.614 0.857 0.536 CB 1.247 29 residues pruned to eliminate duplicates 751 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 152 D: 26 E: 193 F: 190 G: 178 CC for partial structure against native data = 41.22 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.582, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.663, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.801, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.817, Connect. = 0.784 for dens.mod. cycle 4 = 0.300, Contrast = 0.832, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.836, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.840, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.841, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.841, Connect. = 0.789 for dens.mod. cycle 9 = 0.300, Contrast = 0.840, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4190 peaks > 0.5 sigma used to seed fragment search Space for about 1349 unique residues taking solvent into account 946 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 35.774 2.361 0.658 0.880 1.000 0.750 CA 1.656 B: 15 30.167 2.234 0.849 0.884 1.000 0.786 CB 1.411 C: 14 33.762 2.273 0.819 0.902 1.000 0.769 CA 1.616 D: 19 41.754 2.290 1.016 0.848 1.000 0.833 CB 1.581 17 residues pruned to eliminate duplicates E: 63 47.268 2.281 0.663 0.543 0.952 0.629 CA 1.595 F: 15 33.287 2.181 0.964 0.840 1.000 0.929 CA 1.550 G: 14 32.621 2.328 0.851 0.921 0.923 0.923 CB 1.600 15 residues pruned to eliminate duplicates H: 15 21.241 2.141 0.349 0.877 1.000 1.000 CA 1.427 15 residues pruned to eliminate duplicates I: 13 31.611 2.352 0.897 0.870 1.000 0.750 CB 1.493 J: 13 34.641 2.382 1.107 0.879 1.000 0.583 CB 1.445 13 residues pruned to eliminate duplicates K: 13 38.411 2.282 1.015 0.872 0.917 0.667 CA 1.918 L: 15 25.795 2.172 0.723 0.816 0.929 0.857 CA 1.508 15 residues pruned to eliminate duplicates M: 14 26.117 2.289 0.367 0.927 1.000 0.846 CA 1.623 14 residues pruned to eliminate duplicates N: 15 28.334 2.140 0.845 0.816 1.000 0.643 CA 1.458 14 residues pruned to eliminate duplicates O: 13 22.056 2.046 0.798 0.849 0.917 0.667 CB 1.400 P: 12 35.065 2.268 0.941 0.898 1.000 0.636 CA 1.718 12 residues pruned to eliminate duplicates Q: 15 23.599 2.170 0.495 0.872 1.000 0.714 CA 1.417 15 residues pruned to eliminate duplicates R: 18 43.898 2.353 1.040 0.851 0.941 0.765 CA 1.744 19 residues pruned to eliminate duplicates S: 13 38.217 2.210 1.014 0.924 1.000 0.667 CA 1.740 13 residues pruned to eliminate duplicates T: 13 33.945 2.184 0.979 0.921 0.917 0.583 CA 1.741 13 residues pruned to eliminate duplicates U: 14 32.845 2.432 0.625 0.914 1.000 0.923 CA 1.630 14 residues pruned to eliminate duplicates V: 19 22.736 2.133 0.309 0.836 0.944 0.778 CA 1.521 W: 14 29.046 2.181 0.748 0.849 1.000 0.615 CA 1.567 14 residues pruned to eliminate duplicates X: 17 43.540 2.357 1.106 0.903 0.938 0.750 CB 1.668 16 residues pruned to eliminate duplicates Y: 18 41.956 2.391 1.181 0.823 0.941 0.529 CB 1.567 18 residues pruned to eliminate duplicates Z: 12 24.986 2.155 1.002 0.875 0.909 0.636 CB 1.397 13 residues pruned to eliminate duplicates Z: 6 8.289 2.023 -0.033 0.784 1.000 1.000 CA 1.476 Z: 15 21.429 2.074 0.738 0.760 0.929 0.786 CA 1.358 Z: 9 12.071 1.612 0.493 0.717 1.000 0.500 CB 1.457 Z: 173 96.390 2.311 0.858 0.605 0.924 0.640 CA 1.676 104 residues pruned to eliminate duplicates Z: 20 34.589 2.242 0.941 0.832 0.895 0.526 CA 1.529 Z: 21 42.189 2.262 1.038 0.851 0.950 0.550 CA 1.594 21 residues pruned to eliminate duplicates Z: 21 31.553 2.202 0.839 0.883 0.900 0.400 CA 1.400 21 residues pruned to eliminate duplicates Z: 20 36.198 2.243 0.820 0.870 0.895 0.526 CA 1.660 20 residues pruned to eliminate duplicates Z: 15 33.554 2.325 1.065 0.927 1.000 0.714 CB 1.309 15 residues pruned to eliminate duplicates Z: 22 29.683 2.160 0.672 0.862 0.905 0.571 CA 1.455 22 residues pruned to eliminate duplicates Z: 22 31.554 2.161 0.840 0.814 0.952 0.571 CA 1.384 22 residues pruned to eliminate duplicates Z: 12 36.304 2.423 0.918 0.897 1.000 0.818 CA 1.686 12 residues pruned to eliminate duplicates Z: 14 21.576 2.256 0.247 0.871 1.000 0.846 CA 1.551 14 residues pruned to eliminate duplicates Z: 12 27.880 2.242 0.604 0.904 1.000 0.909 CA 1.665 12 residues pruned to eliminate duplicates Z: 18 28.333 2.197 0.469 0.883 0.941 0.882 CB 1.636 18 residues pruned to eliminate duplicates Z: 13 38.612 2.338 0.935 0.907 0.917 0.667 CA 1.910 13 residues pruned to eliminate duplicates Z: 19 36.625 2.292 1.292 0.803 0.889 0.500 CB 1.419 19 residues pruned to eliminate duplicates Z: 20 33.266 2.297 0.632 0.863 0.947 0.737 CA 1.576 20 residues pruned to eliminate duplicates Z: 12 35.114 2.380 0.805 0.918 1.000 0.818 CA 1.737 12 residues pruned to eliminate duplicates Z: 15 29.128 2.177 0.857 0.866 1.000 0.714 CA 1.410 15 residues pruned to eliminate duplicates Z: 14 30.953 2.208 0.905 0.864 0.923 0.846 CB 1.621 14 residues pruned to eliminate duplicates Z: 14 29.070 2.296 0.544 0.917 1.000 0.769 CB 1.605 14 residues pruned to eliminate duplicates Z: 132 84.073 2.255 0.946 0.654 0.908 0.641 CB 1.597 54 residues pruned to eliminate duplicates Z: 13 26.497 2.171 0.915 0.841 0.917 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 12 29.052 2.213 0.950 0.888 0.909 0.727 CA 1.609 12 residues pruned to eliminate duplicates Z: 19 23.575 2.058 0.661 0.786 0.889 0.722 CA 1.422 Z: 14 35.396 2.352 0.928 0.922 1.000 0.615 CB 1.523 14 residues pruned to eliminate duplicates Z: 13 28.018 2.093 0.869 0.884 1.000 0.667 CA 1.494 Z: 12 31.021 2.292 0.789 0.902 1.000 0.727 CA 1.627 Z: 16 19.484 2.122 0.835 0.488 0.800 0.467 CB 1.634 15 residues pruned to eliminate duplicates Z: 13 28.458 2.384 0.824 0.913 0.917 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 11 26.283 2.189 0.928 0.907 0.900 0.700 CB 1.555 11 residues pruned to eliminate duplicates Z: 13 25.918 2.474 0.658 0.799 0.917 0.833 CA 1.532 Z: 10 8.954 1.569 0.630 0.618 0.778 0.444 CA 1.342 10 residues pruned to eliminate duplicates Z: 17 47.769 2.390 1.257 0.917 0.938 0.812 CB 1.666 17 residues pruned to eliminate duplicates Z: 12 25.914 2.218 0.626 0.902 1.000 0.727 CA 1.545 12 residues pruned to eliminate duplicates Z: 14 22.987 2.049 0.569 0.894 1.000 0.846 CA 1.423 Z: 21 34.854 2.223 0.722 0.870 1.000 0.700 CA 1.486 21 residues pruned to eliminate duplicates Z: 13 33.675 2.309 1.100 0.911 0.917 0.833 CB 1.550 13 residues pruned to eliminate duplicates Z: 52 43.598 2.254 0.731 0.539 0.961 0.745 CB 1.567 27 residues pruned to eliminate duplicates Z: 11 29.946 2.524 0.507 0.921 1.000 0.900 CA 1.752 11 residues pruned to eliminate duplicates Z: 19 22.933 2.112 0.286 0.828 1.000 0.778 CA 1.499 19 residues pruned to eliminate duplicates Z: 18 30.449 2.219 0.605 0.873 0.941 0.647 CB 1.605 18 residues pruned to eliminate duplicates Z: 11 37.994 2.487 0.928 0.890 1.000 0.600 CA 1.802 13 residues pruned to eliminate duplicates Z: 20 40.262 2.290 1.070 0.844 0.842 0.421 CA 1.721 20 residues pruned to eliminate duplicates Z: 11 20.489 2.041 0.780 0.877 0.900 0.700 CA 1.439 Z: 14 18.500 2.149 0.443 0.769 0.846 0.769 CB 1.542 14 residues pruned to eliminate duplicates Z: 9 15.379 2.157 0.294 0.911 1.000 0.750 CB 1.381 9 residues pruned to eliminate duplicates Z: 25 30.713 2.224 0.870 0.591 0.833 0.458 CB 1.659 25 residues pruned to eliminate duplicates Z: 11 36.551 2.351 1.059 0.845 1.000 0.700 CA 1.775 11 residues pruned to eliminate duplicates Z: 13 22.434 2.056 0.673 0.832 0.917 0.667 CA 1.541 13 residues pruned to eliminate duplicates Z: 15 24.138 2.123 0.462 0.823 1.000 0.857 CA 1.571 15 residues pruned to eliminate duplicates Z: 13 17.072 1.898 0.385 0.886 1.000 0.833 CB 1.353 Z: 12 30.253 2.330 0.646 0.848 1.000 0.818 CB 1.765 13 residues pruned to eliminate duplicates Z: 14 26.732 2.160 0.916 0.774 0.923 0.769 CA 1.524 14 residues pruned to eliminate duplicates Z: 15 25.334 2.136 0.517 0.895 1.000 0.929 CA 1.498 15 residues pruned to eliminate duplicates Z: 22 34.758 2.191 0.773 0.871 0.952 0.762 CA 1.496 22 residues pruned to eliminate duplicates Z: 14 29.293 2.202 0.834 0.820 1.000 0.846 CB 1.524 15 residues pruned to eliminate duplicates Z: 12 25.073 2.440 0.546 0.828 1.000 0.909 CA 1.509 12 residues pruned to eliminate duplicates Z: 13 30.634 2.264 0.790 0.910 0.917 0.750 CA 1.688 13 residues pruned to eliminate duplicates Z: 12 24.211 2.273 0.521 0.863 1.000 0.818 CA 1.549 12 residues pruned to eliminate duplicates Z: 11 25.239 2.498 0.537 0.888 0.900 0.900 CA 1.665 11 residues pruned to eliminate duplicates Z: 12 30.750 2.147 0.930 0.884 1.000 0.909 CB 1.618 13 residues pruned to eliminate duplicates Z: 11 26.492 2.263 0.800 0.917 1.000 1.000 CA 1.452 11 residues pruned to eliminate duplicates Z: 12 28.158 2.306 0.995 0.822 0.909 0.636 CA 1.535 12 residues pruned to eliminate duplicates Z: 21 32.730 2.249 0.761 0.875 0.850 0.700 CA 1.581 21 residues pruned to eliminate duplicates Z: 12 24.913 2.450 0.496 0.840 0.909 0.727 CA 1.683 12 residues pruned to eliminate duplicates Z: 190 101.463 2.291 0.922 0.601 0.915 0.630 CA 1.664 189 residues pruned to eliminate duplicates Z: 13 32.113 2.307 0.982 0.910 0.917 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 21 28.239 2.263 0.480 0.837 0.950 0.800 CA 1.484 21 residues pruned to eliminate duplicates Z: 13 34.099 2.182 0.868 0.919 1.000 0.917 CA 1.702 13 residues pruned to eliminate duplicates Z: 22 35.938 2.200 0.841 0.862 0.905 0.571 CA 1.571 22 residues pruned to eliminate duplicates Z: 12 21.508 1.975 0.674 0.918 1.000 0.909 CA 1.384 Z: 134 79.241 2.239 0.936 0.617 0.902 0.564 CA 1.573 134 residues pruned to eliminate duplicates Z: 23 32.791 2.160 0.703 0.824 1.000 0.682 CA 1.435 23 residues pruned to eliminate duplicates Z: 9 16.955 2.145 0.506 0.839 1.000 0.625 CB 1.386 9 residues pruned to eliminate duplicates Z: 19 48.220 2.251 1.315 0.864 1.000 0.778 CB 1.599 19 residues pruned to eliminate duplicates Z: 13 22.323 2.249 0.626 0.793 1.000 0.750 CB 1.363 13 residues pruned to eliminate duplicates Z: 13 17.232 2.043 0.490 0.859 1.000 0.833 CA 1.202 13 residues pruned to eliminate duplicates Z: 25 19.454 2.160 0.681 0.312 0.833 0.417 CB 1.617 25 residues pruned to eliminate duplicates Z: 12 15.028 2.041 0.412 0.804 0.909 0.636 CB 1.326 12 residues pruned to eliminate duplicates Z: 14 23.198 2.321 0.625 0.807 0.923 0.615 CB 1.414 14 residues pruned to eliminate duplicates Z: 6 4.206 1.482 0.195 0.746 1.000 0.800 CB 0.852 6 residues pruned to eliminate duplicates Z: 21 25.915 1.970 0.797 0.831 0.950 0.550 CA 1.294 21 residues pruned to eliminate duplicates Z: 13 32.999 2.347 0.749 0.871 1.000 0.833 CA 1.693 12 residues pruned to eliminate duplicates Z: 20 29.999 2.094 0.685 0.831 0.895 0.526 CA 1.638 20 residues pruned to eliminate duplicates Z: 21 33.293 2.177 1.072 0.822 0.750 0.550 CB 1.664 21 residues pruned to eliminate duplicates Z: 14 33.612 2.234 0.963 0.860 1.000 0.846 CA 1.563 14 residues pruned to eliminate duplicates Z: 15 44.559 2.374 1.193 0.902 1.000 0.643 CB 1.631 15 residues pruned to eliminate duplicates Z: 12 23.447 1.969 0.820 0.914 1.000 0.909 CA 1.395 12 residues pruned to eliminate duplicates Z: 9 14.455 1.958 0.540 0.914 0.875 0.875 CB 1.369 9 residues pruned to eliminate duplicates Z: 9 7.131 1.910 0.706 0.459 0.875 0.500 CB 0.923 9 residues pruned to eliminate duplicates Z: 22 36.848 2.247 0.716 0.844 1.000 0.619 CA 1.552 22 residues pruned to eliminate duplicates Z: 15 28.944 2.100 0.782 0.817 1.000 0.857 CA 1.569 15 residues pruned to eliminate duplicates Z: 19 28.349 2.053 0.624 0.861 0.944 0.444 CB 1.560 19 residues pruned to eliminate duplicates Z: 24 19.848 1.999 0.563 0.616 0.826 0.478 CB 1.436 Z: 8 5.425 1.982 -0.147 0.323 0.857 0.571 O 1.720 8 residues pruned to eliminate duplicates Z: 11 27.855 2.263 0.995 0.883 1.000 0.500 CB 1.411 11 residues pruned to eliminate duplicates Z: 13 26.397 2.246 0.694 0.864 0.917 0.833 CA 1.601 13 residues pruned to eliminate duplicates Z: 36 26.973 2.143 0.808 0.517 0.800 0.457 CA 1.446 36 residues pruned to eliminate duplicates Z: 18 22.626 1.862 0.674 0.838 0.941 0.706 CA 1.397 Z: 18 28.168 2.154 0.753 0.861 0.941 0.882 CA 1.413 18 residues pruned to eliminate duplicates Z: 127 83.894 2.269 0.929 0.666 0.921 0.611 CB 1.591 129 residues pruned to eliminate duplicates Z: 20 24.459 2.051 0.480 0.738 0.947 0.579 CA 1.576 20 residues pruned to eliminate duplicates Z: 7 13.485 2.177 0.312 0.649 1.000 0.667 CA 1.677 7 residues pruned to eliminate duplicates Z: 13 34.494 2.164 0.910 0.914 1.000 0.500 CA 1.704 13 residues pruned to eliminate duplicates Z: 13 39.747 2.239 0.913 0.915 1.000 0.667 CA 1.895 13 residues pruned to eliminate duplicates Z: 13 18.753 2.061 0.586 0.862 1.000 0.750 CA 1.216 13 residues pruned to eliminate duplicates Z: 18 27.407 2.154 0.485 0.876 1.000 0.941 CA 1.510 18 residues pruned to eliminate duplicates Z: 20 29.797 2.233 0.556 0.870 0.895 0.737 CA 1.605 20 residues pruned to eliminate duplicates Z: 130 72.242 2.251 0.726 0.663 0.922 0.558 CB 1.526 91 residues pruned to eliminate duplicates Z: 18 24.171 2.157 0.299 0.863 1.000 0.941 CA 1.535 18 residues pruned to eliminate duplicates Z: 20 23.241 2.106 0.413 0.797 0.947 0.842 CA 1.459 20 residues pruned to eliminate duplicates Z: 12 30.960 2.156 0.865 0.898 1.000 0.818 CA 1.661 12 residues pruned to eliminate duplicates Z: 20 28.463 2.217 1.186 0.455 0.842 0.579 CA 1.676 20 residues pruned to eliminate duplicates Z: 20 40.598 2.261 0.985 0.884 1.000 0.632 CA 1.500 20 residues pruned to eliminate duplicates Z: 44 32.705 2.077 0.666 0.559 0.907 0.535 CB 1.501 21 residues pruned to eliminate duplicates Z: 13 23.197 2.445 0.362 0.796 1.000 0.750 CB 1.552 13 residues pruned to eliminate duplicates Z: 20 34.737 2.243 1.188 0.764 0.895 0.474 CB 1.435 20 residues pruned to eliminate duplicates Z: 12 31.588 2.420 0.775 0.862 1.000 0.727 CB 1.628 12 residues pruned to eliminate duplicates Z: 15 23.213 2.145 0.793 0.737 0.929 0.571 CA 1.404 15 residues pruned to eliminate duplicates Z: 16 19.340 2.137 0.631 0.731 0.867 0.800 CA 1.343 16 residues pruned to eliminate duplicates Z: 13 22.238 2.205 0.635 0.923 0.917 0.917 CA 1.365 13 residues pruned to eliminate duplicates Z: 13 37.745 2.235 0.995 0.924 0.917 0.500 CA 1.873 13 residues pruned to eliminate duplicates Z: 16 39.219 2.392 0.785 0.917 1.000 0.933 CA 1.674 16 residues pruned to eliminate duplicates Z: 13 22.206 2.028 0.782 0.812 0.833 0.500 CB 1.623 13 residues pruned to eliminate duplicates Z: 14 18.130 1.786 0.590 0.875 1.000 0.692 CA 1.287 14 residues pruned to eliminate duplicates Z: 14 27.145 2.210 0.658 0.870 0.923 0.923 CA 1.625 14 residues pruned to eliminate duplicates Z: 16 29.931 2.115 1.043 0.792 0.933 0.867 CB 1.483 16 residues pruned to eliminate duplicates Z: 13 21.212 1.922 0.826 0.873 0.917 0.583 CA 1.386 13 residues pruned to eliminate duplicates Z: 11 27.087 2.159 0.887 0.900 1.000 0.900 CA 1.501 11 residues pruned to eliminate duplicates Z: 9 16.830 2.101 0.527 0.873 0.875 0.625 CB 1.543 10 residues pruned to eliminate duplicates Z: 20 32.144 2.172 0.942 0.861 0.842 0.474 CA 1.526 20 residues pruned to eliminate duplicates Z: 13 28.362 2.521 0.453 0.931 1.000 0.917 CA 1.562 13 residues pruned to eliminate duplicates Z: 29 25.577 2.154 0.864 0.459 0.857 0.607 CA 1.464 29 residues pruned to eliminate duplicates Z: 22 36.154 2.158 0.896 0.851 1.000 0.476 CA 1.427 22 residues pruned to eliminate duplicates Z: 12 36.868 2.315 0.844 0.918 1.000 0.909 CA 1.836 12 residues pruned to eliminate duplicates Z: 12 32.672 2.371 0.783 0.913 1.000 0.727 CA 1.649 12 residues pruned to eliminate duplicates Z: 12 19.978 1.971 0.709 0.901 1.000 0.909 CA 1.276 11 residues pruned to eliminate duplicates Z: 19 34.924 2.147 0.854 0.854 1.000 0.722 CA 1.527 19 residues pruned to eliminate duplicates Z: 14 31.932 2.277 0.869 0.932 0.923 0.769 CB 1.575 14 residues pruned to eliminate duplicates Z: 194 99.838 2.304 0.823 0.605 0.943 0.596 CA 1.642 193 residues pruned to eliminate duplicates Z: 22 34.546 2.146 0.924 0.819 0.905 0.429 CA 1.530 22 residues pruned to eliminate duplicates Z: 11 22.055 2.069 0.788 0.810 1.000 0.800 CB 1.440 11 residues pruned to eliminate duplicates Z: 12 24.745 2.182 1.123 0.903 1.000 0.909 CB 1.148 12 residues pruned to eliminate duplicates Z: 12 20.442 2.109 0.443 0.923 1.000 1.000 CB 1.423 12 residues pruned to eliminate duplicates Z: 18 33.201 2.229 0.781 0.857 0.882 0.706 CB 1.693 18 residues pruned to eliminate duplicates Z: 17 31.209 2.203 0.520 0.862 1.000 0.750 CA 1.712 17 residues pruned to eliminate duplicates Z: 195 105.654 2.298 0.881 0.609 0.943 0.593 CA 1.677 194 residues pruned to eliminate duplicates Z: 10 9.277 1.919 0.181 0.769 0.889 0.778 CA 1.209 Z: 21 33.369 2.239 0.769 0.884 0.950 0.750 CA 1.434 21 residues pruned to eliminate duplicates Z: 10 19.144 2.232 0.690 0.566 1.000 0.667 CA 1.588 10 residues pruned to eliminate duplicates Z: 54 41.884 2.279 0.997 0.562 0.792 0.472 CB 1.503 54 residues pruned to eliminate duplicates Z: 127 79.820 2.248 0.912 0.645 0.889 0.476 CB 1.626 127 residues pruned to eliminate duplicates Z: 13 23.854 2.064 0.865 0.865 0.917 0.667 CA 1.430 13 residues pruned to eliminate duplicates Z: 7 7.645 1.808 0.961 0.530 0.833 0.167 CA 1.026 7 residues pruned to eliminate duplicates Z: 11 17.942 2.068 0.404 0.899 1.000 0.800 CA 1.397 11 residues pruned to eliminate duplicates Z: 14 30.034 2.264 0.830 0.808 1.000 0.846 CA 1.537 14 residues pruned to eliminate duplicates Z: 13 28.794 2.329 0.761 0.828 1.000 0.833 CA 1.526 13 residues pruned to eliminate duplicates Z: 18 28.181 2.208 0.655 0.837 0.941 0.824 CA 1.486 18 residues pruned to eliminate duplicates Z: 54 33.685 2.088 0.712 0.559 0.868 0.547 CB 1.408 54 residues pruned to eliminate duplicates Z: 7 14.942 2.325 0.348 0.871 1.000 0.833 CB 1.420 7 residues pruned to eliminate duplicates Z: 12 22.570 2.201 0.458 0.863 1.000 0.636 CA 1.556 12 residues pruned to eliminate duplicates Z: 20 39.654 2.331 0.831 0.883 1.000 0.842 CA 1.541 20 residues pruned to eliminate duplicates Z: 13 27.273 2.177 0.496 0.890 1.000 0.750 CA 1.739 13 residues pruned to eliminate duplicates Z: 15 31.466 2.183 1.055 0.839 0.929 0.357 CB 1.509 15 residues pruned to eliminate duplicates Z: 34 19.612 1.880 0.607 0.548 0.848 0.394 CB 1.271 27 residues pruned to eliminate duplicates Z: 18 28.281 2.231 0.646 0.839 0.941 0.765 CA 1.482 18 residues pruned to eliminate duplicates Z: 11 19.529 1.992 0.357 0.882 1.000 0.800 CB 1.654 11 residues pruned to eliminate duplicates Z: 19 40.132 2.290 1.403 0.794 0.944 0.389 CB 1.406 19 residues pruned to eliminate duplicates Z: 12 22.052 2.199 0.673 0.893 0.909 0.636 CB 1.427 12 residues pruned to eliminate duplicates Z: 21 38.307 2.291 1.131 0.895 0.800 0.650 CA 1.573 21 residues pruned to eliminate duplicates Z: 19 33.264 2.312 0.555 0.893 1.000 0.722 CA 1.565 19 residues pruned to eliminate duplicates Z: 18 28.360 2.219 0.636 0.828 0.882 0.529 CA 1.617 18 residues pruned to eliminate duplicates Z: 25 30.725 2.266 0.924 0.504 0.917 0.500 CA 1.564 25 residues pruned to eliminate duplicates Z: 17 21.731 1.922 0.826 0.827 0.875 0.625 CA 1.333 17 residues pruned to eliminate duplicates Z: 102 63.041 2.250 0.787 0.526 0.931 0.634 CA 1.634 102 residues pruned to eliminate duplicates Z: 22 30.089 2.189 0.690 0.820 0.952 0.714 CA 1.412 22 residues pruned to eliminate duplicates Z: 12 23.887 2.308 0.527 0.849 1.000 1.000 CA 1.515 12 residues pruned to eliminate duplicates Z: 104 73.959 2.281 0.860 0.662 0.903 0.592 CA 1.637 104 residues pruned to eliminate duplicates Z: 20 26.419 2.051 0.830 0.782 0.947 0.895 CA 1.329 20 residues pruned to eliminate duplicates Z: 11 32.884 2.440 1.029 0.862 0.900 0.600 CB 1.713 11 residues pruned to eliminate duplicates Z: 21 28.168 2.199 0.541 0.872 0.950 0.800 CA 1.426 21 residues pruned to eliminate duplicates Z: 29 31.726 2.089 0.833 0.634 0.929 0.536 CA 1.487 29 residues pruned to eliminate duplicates Z: 14 41.250 2.437 1.154 0.915 1.000 0.769 CB 1.540 14 residues pruned to eliminate duplicates Z: 13 29.531 2.283 0.808 0.858 1.000 0.750 CA 1.521 13 residues pruned to eliminate duplicates Z: 103 74.845 2.268 0.962 0.665 0.922 0.549 CB 1.550 103 residues pruned to eliminate duplicates Z: 8 9.010 1.813 0.745 0.504 0.857 0.714 CA 1.251 Z: 12 22.538 2.180 0.805 0.875 1.000 0.818 CB 1.255 12 residues pruned to eliminate duplicates Z: 12 22.420 2.032 0.576 0.931 1.000 1.000 CA 1.476 18 residues pruned to eliminate duplicates Z: 13 27.683 2.232 0.911 0.846 1.000 0.833 CA 1.392 13 residues pruned to eliminate duplicates Z: 13 17.368 2.154 0.314 0.849 1.000 1.000 CA 1.312 13 residues pruned to eliminate duplicates Z: 13 33.581 2.318 1.060 0.903 0.917 0.500 CB 1.579 13 residues pruned to eliminate duplicates Z: 53 35.691 2.155 0.872 0.619 0.846 0.500 CB 1.296 54 residues pruned to eliminate duplicates Z: 12 13.952 1.988 0.224 0.878 1.000 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 18 28.109 2.242 0.673 0.820 0.941 0.647 CA 1.463 18 residues pruned to eliminate duplicates Z: 88 82.537 2.329 0.986 0.729 0.954 0.563 CB 1.631 89 residues pruned to eliminate duplicates Z: 86 49.176 2.221 0.781 0.510 0.906 0.576 CB 1.474 86 residues pruned to eliminate duplicates Z: 6 5.349 1.590 0.103 0.634 1.000 0.400 CB 1.203 Z: 12 29.671 2.269 0.895 0.844 1.000 0.727 CA 1.548 12 residues pruned to eliminate duplicates Z: 6 9.130 1.931 0.602 0.799 0.800 0.800 N 1.271 6 residues pruned to eliminate duplicates Z: 12 32.085 2.376 0.952 0.882 1.000 0.909 CA 1.508 12 residues pruned to eliminate duplicates Z: 15 33.592 2.198 1.089 0.833 1.000 0.643 CB 1.467 15 residues pruned to eliminate duplicates Z: 21 41.045 2.280 1.011 0.832 0.950 0.700 CA 1.581 21 residues pruned to eliminate duplicates Z: 50 27.291 1.966 0.707 0.489 0.878 0.469 CB 1.339 70 residues pruned to eliminate duplicates Z: 17 17.360 1.841 0.464 0.880 0.938 0.875 CA 1.245 17 residues pruned to eliminate duplicates Z: 87 63.363 2.217 0.997 0.581 0.895 0.477 CA 1.595 87 residues pruned to eliminate duplicates Z: 8 6.582 1.907 0.826 0.355 0.714 0.571 CB 1.170 8 residues pruned to eliminate duplicates Z: 12 25.670 2.078 0.873 0.897 1.000 0.545 CB 1.423 12 residues pruned to eliminate duplicates Z: 40 24.542 1.982 0.686 0.476 0.821 0.513 CB 1.468 29 residues pruned to eliminate duplicates Z: 13 27.718 2.148 0.528 0.932 1.000 0.833 CB 1.702 13 residues pruned to eliminate duplicates Z: 11 31.014 2.315 0.860 0.907 1.000 0.800 CA 1.619 11 residues pruned to eliminate duplicates Z: 7 8.007 1.617 0.552 0.796 1.000 0.833 CA 1.005 7 residues pruned to eliminate duplicates Z: 13 35.265 2.398 1.170 0.923 0.833 0.833 CB 1.650 13 residues pruned to eliminate duplicates Z: 9 11.274 1.850 0.453 0.729 1.000 0.375 CA 1.207 9 residues pruned to eliminate duplicates Z: 15 26.349 2.095 0.739 0.818 0.929 0.714 CA 1.580 15 residues pruned to eliminate duplicates Z: 12 22.928 2.147 0.617 0.912 0.909 0.636 CB 1.551 12 residues pruned to eliminate duplicates Z: 15 23.622 2.187 0.340 0.914 1.000 0.786 CB 1.523 15 residues pruned to eliminate duplicates Z: 10 19.378 2.323 0.304 0.920 1.000 0.889 CA 1.502 10 residues pruned to eliminate duplicates Z: 16 34.326 2.256 0.876 0.935 0.933 0.333 CB 1.564 16 residues pruned to eliminate duplicates Z: 13 14.738 1.989 0.303 0.843 1.000 0.750 CB 1.223 12 residues pruned to eliminate duplicates Z: 12 27.644 2.450 0.513 0.823 1.000 0.909 CA 1.699 12 residues pruned to eliminate duplicates Z: 14 18.977 1.949 0.725 0.939 0.923 0.769 CB 1.179 Z: 29 35.074 2.287 0.978 0.624 0.964 0.607 CB 1.352 29 residues pruned to eliminate duplicates Z: 12 30.782 2.229 0.875 0.834 1.000 0.636 CA 1.664 12 residues pruned to eliminate duplicates Z: 13 23.467 2.164 0.628 0.824 0.917 0.667 CB 1.584 13 residues pruned to eliminate duplicates Z: 13 21.132 2.158 0.935 0.850 0.833 0.417 CB 1.299 13 residues pruned to eliminate duplicates Z: 20 39.585 2.270 0.994 0.882 0.947 0.684 CA 1.532 20 residues pruned to eliminate duplicates Z: 44 35.894 2.163 0.667 0.567 0.907 0.605 CA 1.569 44 residues pruned to eliminate duplicates Z: 123 75.767 2.271 0.788 0.685 0.918 0.639 CB 1.553 128 residues pruned to eliminate duplicates Z: 18 16.620 1.837 0.209 0.800 1.000 0.765 CB 1.396 17 residues pruned to eliminate duplicates Z: 18 35.672 2.238 1.016 0.842 0.941 0.529 CA 1.518 18 residues pruned to eliminate duplicates Z: 18 34.208 2.126 1.079 0.866 0.882 0.647 CA 1.557 18 residues pruned to eliminate duplicates Z: 18 32.433 2.127 0.756 0.896 0.941 0.529 CA 1.603 18 residues pruned to eliminate duplicates Z: 15 23.334 2.145 0.688 0.734 0.929 0.857 CA 1.502 15 residues pruned to eliminate duplicates Z: 12 23.399 2.144 0.720 0.814 1.000 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 8 4.839 1.629 0.661 0.686 0.571 0.429 N 0.997 8 residues pruned to eliminate duplicates Z: 21 34.605 2.134 1.057 0.849 0.950 0.550 CA 1.376 21 residues pruned to eliminate duplicates Z: 20 40.619 2.137 1.227 0.844 0.947 0.632 CA 1.537 20 residues pruned to eliminate duplicates Z: 13 37.817 2.233 1.065 0.894 1.000 0.833 CA 1.698 13 residues pruned to eliminate duplicates Z: 11 22.380 2.345 0.323 0.903 1.000 0.800 CA 1.626 11 residues pruned to eliminate duplicates Z: 21 37.158 2.251 0.830 0.855 1.000 0.650 CA 1.489 21 residues pruned to eliminate duplicates Z: 14 38.630 2.244 1.152 0.897 1.000 0.615 CA 1.589 14 residues pruned to eliminate duplicates Z: 13 22.498 1.976 0.965 0.836 0.917 0.500 CA 1.366 13 residues pruned to eliminate duplicates Z: 10 29.860 2.528 0.670 0.882 1.000 0.889 CA 1.705 10 residues pruned to eliminate duplicates Z: 12 21.887 2.029 0.612 0.931 1.000 1.000 CA 1.409 12 residues pruned to eliminate duplicates Z: 20 33.545 2.050 1.288 0.834 0.789 0.368 CB 1.558 20 residues pruned to eliminate duplicates Z: 13 18.858 1.922 0.710 0.872 0.917 0.750 CA 1.317 13 residues pruned to eliminate duplicates Z: 14 24.239 2.214 0.605 0.878 1.000 0.769 CB 1.373 14 residues pruned to eliminate duplicates Z: 11 25.280 2.098 0.717 0.934 1.000 0.600 CA 1.547 11 residues pruned to eliminate duplicates Z: 16 21.742 2.034 0.674 0.804 0.933 0.933 CA 1.355 16 residues pruned to eliminate duplicates Z: 15 38.184 2.358 0.953 0.934 1.000 0.929 CB 1.546 15 residues pruned to eliminate duplicates Z: 11 16.510 1.989 0.505 0.845 0.800 0.800 CA 1.620 Z: 73 30.880 2.007 0.650 0.452 0.861 0.444 CB 1.341 73 residues pruned to eliminate duplicates Z: 28 33.132 2.108 0.930 0.644 0.852 0.222 CA 1.608 28 residues pruned to eliminate duplicates Z: 15 23.097 2.125 0.779 0.740 0.929 0.714 CA 1.419 15 residues pruned to eliminate duplicates Z: 6 6.346 1.813 1.121 0.528 0.800 0.800 CB 0.897 Z: 16 17.556 2.009 0.617 0.664 0.867 0.667 CA 1.383 16 residues pruned to eliminate duplicates Z: 19 30.111 2.143 1.029 0.827 0.833 0.500 CA 1.476 19 residues pruned to eliminate duplicates Z: 18 31.969 2.248 0.871 0.843 0.941 0.824 CA 1.459 18 residues pruned to eliminate duplicates Z: 13 20.340 1.913 0.704 0.848 1.000 0.667 CB 1.337 13 residues pruned to eliminate duplicates Z: 21 33.111 2.197 0.807 0.807 1.000 0.700 CA 1.427 21 residues pruned to eliminate duplicates Z: 12 23.471 2.106 0.653 0.897 0.909 0.636 CB 1.601 12 residues pruned to eliminate duplicates Z: 101 76.552 2.292 0.973 0.653 0.910 0.530 CA 1.614 102 residues pruned to eliminate duplicates Z: 12 25.007 1.973 0.882 0.900 1.000 0.545 CA 1.451 12 residues pruned to eliminate duplicates Z: 12 14.783 1.858 0.556 0.909 1.000 0.727 CA 1.095 12 residues pruned to eliminate duplicates Z: 123 83.301 2.280 0.923 0.666 0.918 0.607 CA 1.607 123 residues pruned to eliminate duplicates Z: 11 16.604 1.877 0.600 0.867 1.000 0.800 CB 1.279 Z: 10 11.298 1.637 0.613 0.835 0.889 0.778 CB 1.202 10 residues pruned to eliminate duplicates Z: 13 32.292 2.198 0.811 0.908 1.000 0.667 CA 1.663 13 residues pruned to eliminate duplicates Z: 14 14.777 1.845 0.557 0.842 0.923 0.692 CA 1.151 14 residues pruned to eliminate duplicates Z: 12 23.475 2.080 0.694 0.885 1.000 0.636 CA 1.450 12 residues pruned to eliminate duplicates Z: 6 9.386 1.964 0.733 0.674 1.000 0.600 CB 1.051 Z: 14 28.039 2.210 0.675 0.861 1.000 0.615 CA 1.544 14 residues pruned to eliminate duplicates Z: 22 14.002 1.890 0.688 0.438 0.810 0.524 CB 1.261 22 residues pruned to eliminate duplicates Z: 11 21.185 2.008 0.754 0.885 1.000 0.900 CB 1.373 11 residues pruned to eliminate duplicates Z: 21 33.423 2.210 0.738 0.819 0.950 0.500 CA 1.553 21 residues pruned to eliminate duplicates Z: 7 9.986 1.931 0.507 0.623 0.833 0.667 CA 1.497 7 residues pruned to eliminate duplicates Z: 16 29.819 2.197 0.721 0.907 0.933 0.800 CA 1.550 16 residues pruned to eliminate duplicates Z: 11 23.329 2.339 0.982 0.918 0.900 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 14 41.078 2.267 1.430 0.906 0.923 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 18 13.155 1.707 0.158 0.803 0.941 0.765 CA 1.316 18 residues pruned to eliminate duplicates Z: 7 8.697 1.794 0.147 0.806 1.000 0.667 CA 1.321 7 residues pruned to eliminate duplicates Z: 17 18.950 1.914 0.494 0.765 1.000 0.750 CA 1.310 16 residues pruned to eliminate duplicates Z: 20 30.270 2.193 0.693 0.795 0.947 0.579 CA 1.525 20 residues pruned to eliminate duplicates Z: 8 10.819 1.636 0.425 0.765 1.000 0.429 N 1.386 Z: 16 19.391 2.050 0.709 0.753 1.000 0.600 CA 1.141 16 residues pruned to eliminate duplicates Z: 20 35.835 2.160 0.981 0.851 0.947 0.632 CA 1.501 20 residues pruned to eliminate duplicates Z: 13 21.191 2.021 0.755 0.926 0.917 0.500 CA 1.320 13 residues pruned to eliminate duplicates Z: 9 4.554 1.831 1.138 0.389 0.625 0.375 CB 0.740 Z: 8 7.573 1.731 0.208 0.663 0.857 0.857 O 1.373 Z: 8 4.658 1.516 0.523 0.470 0.857 0.286 CA 0.917 Z: 19 29.253 2.289 0.542 0.847 0.889 0.556 CB 1.631 19 residues pruned to eliminate duplicates Z: 15 31.378 2.214 0.813 0.907 0.929 0.786 CB 1.600 15 residues pruned to eliminate duplicates Z: 129 74.507 2.239 0.850 0.678 0.898 0.547 CB 1.502 137 residues pruned to eliminate duplicates Z: 7 7.361 1.612 0.336 0.824 1.000 1.000 CB 1.054 Z: 21 40.891 2.257 0.996 0.864 1.000 0.700 CA 1.488 21 residues pruned to eliminate duplicates Z: 10 14.021 1.759 0.573 0.845 1.000 0.667 CA 1.255 10 residues pruned to eliminate duplicates Z: 135 81.564 2.221 0.970 0.636 0.918 0.634 CB 1.545 132 residues pruned to eliminate duplicates Z: 21 41.849 2.259 0.929 0.844 0.950 0.600 CA 1.682 21 residues pruned to eliminate duplicates Z: 17 25.794 1.937 0.842 0.867 0.938 0.750 CA 1.411 18 residues pruned to eliminate duplicates Z: 15 26.975 2.070 0.829 0.793 0.929 0.786 CB 1.585 15 residues pruned to eliminate duplicates Z: 45 32.421 2.064 0.819 0.527 0.864 0.455 CB 1.467 45 residues pruned to eliminate duplicates Z: 11 7.681 2.010 0.325 0.404 0.800 0.600 CB 1.261 Z: 20 33.209 2.203 0.895 0.840 0.895 0.579 CB 1.522 20 residues pruned to eliminate duplicates Z: 12 16.580 1.950 0.634 0.850 0.909 0.636 CA 1.278 12 residues pruned to eliminate duplicates Z: 17 29.680 2.208 0.935 0.858 0.938 0.688 CA 1.365 17 residues pruned to eliminate duplicates Z: 17 44.468 2.445 1.315 0.879 0.938 0.500 CB 1.519 17 residues pruned to eliminate duplicates Z: 19 21.260 2.053 0.436 0.812 0.944 0.889 CA 1.373 19 residues pruned to eliminate duplicates Z: 11 16.787 2.297 0.086 0.922 1.000 0.900 CA 1.496 11 residues pruned to eliminate duplicates Z: 16 32.659 2.158 1.200 0.816 0.867 0.467 CA 1.557 16 residues pruned to eliminate duplicates Z: 82 72.820 2.330 0.912 0.653 0.938 0.642 CA 1.678 82 residues pruned to eliminate duplicates Z: 13 14.924 1.866 0.550 0.807 0.917 0.750 CB 1.244 14 residues pruned to eliminate duplicates Z: 15 20.014 1.944 0.749 0.921 0.857 0.500 CB 1.292 16 residues pruned to eliminate duplicates Z: 18 33.547 2.378 0.708 0.809 0.882 0.765 CA 1.734 18 residues pruned to eliminate duplicates Z: 42 48.076 2.281 0.908 0.630 0.927 0.659 CA 1.647 42 residues pruned to eliminate duplicates Z: 7 13.826 2.023 0.791 0.587 1.000 0.833 CA 1.433 Z: 10 15.794 1.821 0.527 0.895 1.000 0.889 CB 1.357 Z: 11 5.111 1.669 -0.049 0.504 0.900 0.400 CB 1.126 Z: 15 24.268 1.998 0.796 0.929 0.929 0.571 CA 1.362 15 residues pruned to eliminate duplicates Z: 13 34.767 2.212 0.849 0.917 1.000 0.917 CB 1.733 13 residues pruned to eliminate duplicates Z: 6 5.438 1.807 -0.033 0.815 0.800 0.400 CA 1.324 6 residues pruned to eliminate duplicates Z: 11 14.954 1.969 0.332 0.871 0.900 0.800 CB 1.462 11 residues pruned to eliminate duplicates Z: 76 63.636 2.317 0.783 0.734 0.920 0.707 CA 1.567 76 residues pruned to eliminate duplicates Z: 11 20.180 2.069 0.554 0.911 1.000 0.700 CA 1.407 11 residues pruned to eliminate duplicates Z: 9 14.731 2.049 0.276 0.769 1.000 0.500 CA 1.571 9 residues pruned to eliminate duplicates Z: 11 15.028 2.000 0.418 0.913 1.000 0.900 CA 1.185 11 residues pruned to eliminate duplicates Z: 16 23.234 2.051 0.896 0.772 0.933 0.467 CB 1.299 16 residues pruned to eliminate duplicates Z: 15 35.648 2.193 1.054 0.901 1.000 0.857 CB 1.510 15 residues pruned to eliminate duplicates Z: 10 18.359 2.010 0.532 0.870 1.000 0.556 CB 1.450 10 residues pruned to eliminate duplicates Z: 7 7.245 1.585 0.610 0.667 1.000 0.667 CA 0.994 Z: 17 22.001 1.962 0.864 0.776 0.938 0.688 CA 1.257 17 residues pruned to eliminate duplicates Z: 12 23.112 2.086 1.005 0.877 0.818 0.364 CB 1.479 12 residues pruned to eliminate duplicates Z: 10 14.809 1.837 0.497 0.852 1.000 0.667 CB 1.328 9 residues pruned to eliminate duplicates Z: 10 30.110 2.218 1.053 0.885 1.000 0.778 CA 1.592 10 residues pruned to eliminate duplicates Z: 11 20.775 1.983 0.460 0.904 1.000 0.700 CA 1.617 11 residues pruned to eliminate duplicates Z: 15 47.219 2.357 1.363 0.918 1.000 0.643 CB 1.597 15 residues pruned to eliminate duplicates Z: 132 90.275 2.301 0.980 0.659 0.916 0.618 CA 1.631 132 residues pruned to eliminate duplicates Z: 11 26.511 2.177 0.976 0.896 0.900 0.800 CA 1.551 11 residues pruned to eliminate duplicates Z: 40 28.184 2.134 0.711 0.564 0.872 0.538 CB 1.333 35 residues pruned to eliminate duplicates Z: 11 16.783 1.855 0.654 0.881 1.000 0.900 CB 1.253 11 residues pruned to eliminate duplicates Z: 12 15.779 2.046 0.672 0.804 0.818 0.727 CA 1.303 12 residues pruned to eliminate duplicates Z: 10 11.561 1.871 0.475 0.760 1.000 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 12 6.064 1.774 0.252 0.329 0.818 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 7 7.164 1.646 0.158 0.794 1.000 0.500 CB 1.186 7 residues pruned to eliminate duplicates Z: 17 25.403 2.251 0.403 0.840 0.938 0.750 CA 1.600 17 residues pruned to eliminate duplicates Z: 21 32.052 2.252 0.726 0.854 0.900 0.700 CA 1.512 21 residues pruned to eliminate duplicates Z: 6 10.859 1.742 0.871 0.675 1.000 0.800 CB 1.268 Z: 14 33.867 2.270 1.275 0.816 0.846 0.462 CB 1.634 14 residues pruned to eliminate duplicates Z: 10 21.913 2.033 0.832 0.876 1.000 0.889 CA 1.425 10 residues pruned to eliminate duplicates Z: 7 4.801 1.684 0.280 0.692 0.833 0.667 CA 0.916 7 residues pruned to eliminate duplicates Z: 11 14.106 1.832 0.418 0.909 1.000 1.000 CA 1.219 11 residues pruned to eliminate duplicates Z: 10 16.401 1.869 0.632 0.892 1.000 0.778 CB 1.288 10 residues pruned to eliminate duplicates Z: 18 20.008 1.814 0.616 0.861 0.941 0.647 CB 1.292 15 residues pruned to eliminate duplicates Z: 14 26.113 2.165 0.761 0.839 1.000 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 11 11.818 1.863 0.308 0.859 0.900 0.900 CA 1.253 11 residues pruned to eliminate duplicates Z: 12 25.012 2.101 0.803 0.892 0.909 0.545 CB 1.573 12 residues pruned to eliminate duplicates Z: 9 10.559 1.897 0.365 0.784 0.875 0.500 CB 1.283 9 residues pruned to eliminate duplicates Z: 47 48.184 2.259 1.012 0.550 0.913 0.652 CA 1.630 47 residues pruned to eliminate duplicates Z: 7 9.194 1.981 0.862 0.522 1.000 0.833 CA 0.995 8 residues pruned to eliminate duplicates Z: 13 20.446 2.081 0.637 0.864 1.000 0.833 CA 1.270 13 residues pruned to eliminate duplicates Z: 15 42.925 2.355 0.996 0.929 1.000 0.643 CA 1.708 15 residues pruned to eliminate duplicates Z: 44 49.891 2.357 0.958 0.576 0.930 0.674 CA 1.647 44 residues pruned to eliminate duplicates Z: 33 24.029 1.957 0.714 0.591 0.812 0.594 CB 1.428 27 residues pruned to eliminate duplicates Z: 11 13.545 1.873 0.421 0.880 1.000 0.900 CB 1.166 10 residues pruned to eliminate duplicates Z: 113 83.106 2.295 0.981 0.639 0.920 0.571 CA 1.650 113 residues pruned to eliminate duplicates Z: 7 10.492 2.125 0.177 0.678 1.000 0.667 CA 1.454 7 residues pruned to eliminate duplicates Z: 6 3.280 1.577 0.161 0.431 0.800 0.600 CB 1.076 Z: 17 34.127 2.282 0.739 0.863 1.000 0.562 CA 1.578 17 residues pruned to eliminate duplicates Z: 12 23.287 1.921 0.821 0.887 1.000 0.818 CA 1.447 12 residues pruned to eliminate duplicates Z: 14 20.614 1.785 0.730 0.885 1.000 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 20 30.310 2.247 0.665 0.842 0.895 0.421 CA 1.548 20 residues pruned to eliminate duplicates Z: 17 14.645 1.933 0.434 0.758 0.875 0.625 CA 1.201 17 residues pruned to eliminate duplicates Z: 6 3.912 1.624 1.078 0.425 0.600 0.400 CB 0.934 Z: 107 77.127 2.298 0.856 0.693 0.925 0.679 CA 1.593 105 residues pruned to eliminate duplicates Z: 33 17.856 1.799 0.432 0.586 0.875 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 18 34.492 2.261 0.810 0.730 0.941 0.706 CA 1.766 18 residues pruned to eliminate duplicates Z: 133 91.365 2.306 0.974 0.655 0.902 0.629 CA 1.677 133 residues pruned to eliminate duplicates Z: 108 74.714 2.180 0.914 0.665 0.935 0.664 CA 1.590 108 residues pruned to eliminate duplicates Z: 33 25.160 1.956 0.571 0.731 0.906 0.594 CB 1.297 31 residues pruned to eliminate duplicates Z: 40 53.403 2.283 0.977 0.676 0.923 0.615 CA 1.745 40 residues pruned to eliminate duplicates 6 1.923 1.476 0.657 0.271 0.800 0.600 N 0.570 ? Z: 99 58.905 2.169 0.822 0.619 0.878 0.490 CB 1.533 99 residues pruned to eliminate duplicates Z: 7 7.840 1.809 0.331 0.667 0.833 0.333 N 1.366 7 residues pruned to eliminate duplicates Z: 19 26.654 2.087 0.836 0.824 0.889 0.444 CB 1.393 19 residues pruned to eliminate duplicates Z: 11 25.348 2.202 0.717 0.905 0.900 0.600 CA 1.676 11 residues pruned to eliminate duplicates Z: 29 23.949 2.131 0.752 0.446 0.857 0.464 CB 1.494 29 residues pruned to eliminate duplicates Z: 10 4.836 1.791 0.325 0.308 0.778 0.556 CB 1.081 Z: 15 21.191 1.880 0.730 0.908 1.000 0.929 CA 1.237 15 residues pruned to eliminate duplicates Z: 7 13.197 1.981 0.881 0.625 1.000 0.667 CB 1.285 7 residues pruned to eliminate duplicates Z: 16 26.239 1.961 0.874 0.904 0.933 0.733 CA 1.406 16 residues pruned to eliminate duplicates Z: 18 10.769 1.944 0.124 0.523 0.941 0.529 CB 1.241 9 residues pruned to eliminate duplicates Z: 17 35.239 2.228 0.980 0.877 0.938 0.312 CA 1.547 17 residues pruned to eliminate duplicates Z: 17 20.197 1.958 0.718 0.732 0.875 0.750 CA 1.393 17 residues pruned to eliminate duplicates Z: 15 11.048 1.934 0.230 0.638 0.857 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 16 24.472 2.229 0.669 0.899 0.933 0.733 CA 1.301 16 residues pruned to eliminate duplicates Z: 12 25.443 2.213 0.628 0.879 1.000 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 103 74.720 2.280 0.835 0.668 0.931 0.676 CA 1.626 103 residues pruned to eliminate duplicates Z: 11 22.012 1.974 0.702 0.905 0.900 0.700 CA 1.639 11 residues pruned to eliminate duplicates Z: 113 92.131 2.324 1.067 0.692 0.911 0.598 CA 1.669 113 residues pruned to eliminate duplicates Z: 18 32.798 2.055 0.882 0.919 1.000 0.706 CA 1.449 18 residues pruned to eliminate duplicates Z: 16 25.015 1.905 0.793 0.913 1.000 0.733 CA 1.339 16 residues pruned to eliminate duplicates Z: 28 37.127 2.193 1.017 0.648 0.889 0.481 CA 1.584 29 residues pruned to eliminate duplicates Z: 15 10.946 1.822 0.007 0.877 0.929 0.929 CB 1.248 15 residues pruned to eliminate duplicates Z: 18 44.321 2.331 1.204 0.815 1.000 0.588 CB 1.591 18 residues pruned to eliminate duplicates Z: 13 26.761 2.055 0.708 0.919 1.000 0.917 CA 1.551 13 residues pruned to eliminate duplicates Z: 17 22.461 1.929 0.818 0.852 0.875 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 8 9.718 2.011 0.358 0.534 1.000 0.571 CB 1.301 8 residues pruned to eliminate duplicates Z: 125 91.078 2.266 1.065 0.652 0.911 0.492 CB 1.666 125 residues pruned to eliminate duplicates Z: 11 19.219 2.051 0.696 0.900 1.000 0.500 CB 1.248 11 residues pruned to eliminate duplicates Z: 19 23.382 2.104 0.817 0.617 0.833 0.611 CA 1.548 22 residues pruned to eliminate duplicates Z: 8 15.511 1.910 1.094 0.878 0.857 0.429 CA 1.242 8 residues pruned to eliminate duplicates Z: 22 43.252 2.227 1.157 0.880 0.905 0.571 CA 1.574 22 residues pruned to eliminate duplicates Z: 11 16.308 1.994 0.403 0.904 1.000 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 11 16.158 1.839 0.665 0.894 1.000 0.800 CB 1.196 11 residues pruned to eliminate duplicates Z: 6 6.963 1.753 0.406 0.490 1.000 0.800 N 1.276 Z: 10 14.701 1.815 0.945 0.647 0.889 0.667 CA 1.361 Z: 56 41.787 2.198 0.812 0.588 0.873 0.600 CB 1.491 56 residues pruned to eliminate duplicates Z: 17 22.352 1.929 0.746 0.847 0.938 0.750 CB 1.314 29 residues pruned to eliminate duplicates Z: 17 22.690 1.949 0.603 0.842 1.000 0.875 CA 1.353 17 residues pruned to eliminate duplicates Z: 69 47.387 2.237 0.660 0.529 0.941 0.691 CA 1.598 69 residues pruned to eliminate duplicates Z: 6 16.405 2.007 0.918 0.813 1.000 1.000 CA 1.452 6 residues pruned to eliminate duplicates Z: 11 26.440 2.021 0.726 0.893 1.000 0.800 CB 1.721 11 residues pruned to eliminate duplicates Z: 18 19.208 2.119 0.223 0.857 0.882 0.882 CB 1.502 18 residues pruned to eliminate duplicates Z: 57 67.743 2.338 1.016 0.672 0.929 0.536 CA 1.765 57 residues pruned to eliminate duplicates Z: 11 21.811 2.307 0.868 0.911 0.900 0.700 CB 1.260 11 residues pruned to eliminate duplicates Z: 17 19.007 1.771 0.674 0.840 0.938 0.625 CB 1.276 17 residues pruned to eliminate duplicates Z: 23 31.297 2.258 0.839 0.555 0.955 0.682 CA 1.595 23 residues pruned to eliminate duplicates Z: 15 22.401 2.230 0.309 0.939 1.000 0.929 CA 1.425 15 residues pruned to eliminate duplicates Z: 21 16.271 1.895 0.555 0.580 0.900 0.750 CB 1.270 21 residues pruned to eliminate duplicates Z: 23 28.617 2.069 0.492 0.848 1.000 0.682 CA 1.466 23 residues pruned to eliminate duplicates Z: 12 28.853 2.183 0.866 0.889 0.909 0.545 CA 1.692 12 residues pruned to eliminate duplicates Z: 15 12.787 1.864 0.438 0.603 0.929 0.571 CA 1.245 15 residues pruned to eliminate duplicates Z: 12 16.861 1.944 0.463 0.888 1.000 0.818 CB 1.287 12 residues pruned to eliminate duplicates Z: 20 25.599 2.217 0.698 0.560 0.947 0.632 CA 1.552 20 residues pruned to eliminate duplicates Z: 14 17.380 1.988 0.626 0.898 1.000 1.000 CA 1.067 14 residues pruned to eliminate duplicates Z: 15 30.291 2.127 0.887 0.847 0.929 0.571 CA 1.612 15 residues pruned to eliminate duplicates Z: 13 17.725 1.716 0.728 0.858 1.000 0.833 CB 1.271 11 residues pruned to eliminate duplicates Z: 12 25.610 2.197 1.165 0.890 0.909 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 129 77.708 2.238 0.917 0.631 0.930 0.531 CB 1.523 129 residues pruned to eliminate duplicates Z: 8 9.689 1.786 0.766 0.632 0.857 0.571 CA 1.197 8 residues pruned to eliminate duplicates Z: 10 25.157 2.092 1.127 0.886 1.000 0.667 CB 1.360 10 residues pruned to eliminate duplicates Z: 15 22.864 2.129 0.964 0.818 0.714 0.357 CA 1.553 15 residues pruned to eliminate duplicates Z: 12 13.639 1.835 0.570 0.844 0.727 0.636 N 1.461 12 residues pruned to eliminate duplicates Z: 25 10.621 1.900 0.624 0.325 0.708 0.333 CB 1.202 16 residues pruned to eliminate duplicates Z: 15 15.978 1.809 0.650 0.732 0.929 0.857 CA 1.252 15 residues pruned to eliminate duplicates Z: 6 3.683 1.693 0.556 0.450 0.800 0.400 CB 0.823 Z: 8 12.045 1.859 0.351 0.898 1.000 1.000 CB 1.298 8 residues pruned to eliminate duplicates Z: 8 3.268 1.596 0.858 0.226 0.571 0.286 CB 1.005 Z: 12 22.572 2.106 1.005 0.909 0.909 0.273 CB 1.258 12 residues pruned to eliminate duplicates Z: 83 59.990 2.238 0.841 0.603 0.915 0.598 CA 1.593 83 residues pruned to eliminate duplicates Z: 17 20.179 1.945 0.532 0.862 0.938 0.750 CA 1.325 17 residues pruned to eliminate duplicates Z: 11 15.924 1.880 0.360 0.890 0.900 0.800 CB 1.575 11 residues pruned to eliminate duplicates Z: 12 29.104 2.062 1.021 0.916 1.000 0.636 CA 1.487 12 residues pruned to eliminate duplicates Z: 12 18.344 2.263 0.523 0.865 0.727 0.364 CA 1.616 12 residues pruned to eliminate duplicates Z: 9 8.379 1.574 0.414 0.844 0.875 0.625 CB 1.133 8 residues pruned to eliminate duplicates Z: 63 45.326 2.200 0.869 0.484 0.903 0.629 CB 1.576 63 residues pruned to eliminate duplicates Z: 12 17.481 1.961 0.532 0.917 1.000 0.909 CB 1.238 12 residues pruned to eliminate duplicates Z: 20 12.932 1.932 0.382 0.506 0.895 0.632 CB 1.234 20 residues pruned to eliminate duplicates Z: 15 20.091 1.988 0.538 0.919 0.929 0.714 CB 1.333 15 residues pruned to eliminate duplicates Z: 18 30.926 2.174 0.677 0.820 1.000 0.588 CA 1.559 18 residues pruned to eliminate duplicates Z: 128 79.143 2.245 0.798 0.666 0.913 0.685 CA 1.634 128 residues pruned to eliminate duplicates Z: 51 31.162 2.051 0.587 0.495 0.920 0.540 CB 1.479 51 residues pruned to eliminate duplicates Z: 9 17.390 1.930 0.637 0.869 1.000 0.750 CB 1.421 9 residues pruned to eliminate duplicates Z: 8 22.745 2.035 0.866 0.884 1.000 0.714 CB 1.637 8 residues pruned to eliminate duplicates Z: 20 33.053 2.235 0.831 0.879 0.947 0.684 CA 1.418 20 residues pruned to eliminate duplicates Z: 27 17.861 1.936 0.642 0.421 0.885 0.577 CB 1.352 27 residues pruned to eliminate duplicates Z: 173 92.587 2.288 0.880 0.595 0.895 0.564 CB 1.674 173 residues pruned to eliminate duplicates Z: 11 17.759 1.955 0.541 0.879 1.000 0.700 CA 1.352 11 residues pruned to eliminate duplicates Z: 21 32.817 2.228 0.715 0.851 1.000 0.800 CA 1.421 21 residues pruned to eliminate duplicates Z: 21 17.815 1.824 0.512 0.592 0.900 0.500 CB 1.470 21 residues pruned to eliminate duplicates Z: 12 25.476 1.929 0.693 0.905 1.000 0.909 CB 1.674 12 residues pruned to eliminate duplicates Z: 8 6.419 1.596 0.261 0.828 0.857 0.714 CB 1.059 7 residues pruned to eliminate duplicates Z: 16 19.307 1.893 0.563 0.866 1.000 0.667 CA 1.233 16 residues pruned to eliminate duplicates Z: 60 44.427 2.145 0.857 0.520 0.915 0.576 CB 1.556 27 residues pruned to eliminate duplicates Z: 47 44.097 2.307 0.718 0.566 0.957 0.652 CA 1.610 47 residues pruned to eliminate duplicates Z: 15 18.447 1.913 0.429 0.927 1.000 0.786 CB 1.264 15 residues pruned to eliminate duplicates Z: 102 76.871 2.283 0.934 0.668 0.911 0.663 CA 1.629 102 residues pruned to eliminate duplicates Z: 7 4.346 1.669 0.458 0.489 0.833 0.833 CB 0.885 Z: 11 20.821 2.016 0.620 0.893 0.900 0.400 CB 1.608 11 residues pruned to eliminate duplicates Z: 7 8.202 1.710 0.358 0.607 1.000 0.667 CA 1.303 7 residues pruned to eliminate duplicates Z: 12 14.607 1.827 0.290 0.846 1.000 0.636 CA 1.387 12 residues pruned to eliminate duplicates Z: 6 5.583 1.611 0.471 0.738 0.800 0.400 CA 1.064 6 residues pruned to eliminate duplicates Z: 6 3.705 1.904 -0.145 0.762 0.600 0.400 CB 1.343 6 residues pruned to eliminate duplicates Z: 112 70.343 2.263 0.655 0.711 0.946 0.694 CB 1.556 112 residues pruned to eliminate duplicates Z: 30 37.415 2.309 1.086 0.638 0.897 0.483 CB 1.415 30 residues pruned to eliminate duplicates Z: 11 4.779 1.884 0.450 0.309 0.600 0.600 CB 1.140 11 residues pruned to eliminate duplicates Z: 9 16.263 2.028 0.500 0.820 1.000 0.625 CA 1.432 9 residues pruned to eliminate duplicates Z: 16 17.685 2.097 0.476 0.561 0.867 0.600 CB 1.604 22 residues pruned to eliminate duplicates Z: 28 14.694 1.806 0.436 0.418 0.889 0.593 CB 1.337 28 residues pruned to eliminate duplicates Z: 15 21.067 2.179 0.711 0.742 0.929 0.714 CA 1.310 15 residues pruned to eliminate duplicates Z: 11 22.808 2.025 0.692 0.893 0.900 0.800 CB 1.679 11 residues pruned to eliminate duplicates Z: 11 24.911 2.192 1.051 0.894 0.800 0.600 CA 1.571 11 residues pruned to eliminate duplicates Z: 25 19.052 1.928 0.836 0.508 0.833 0.625 CB 1.308 25 residues pruned to eliminate duplicates Z: 23 15.017 1.832 0.630 0.565 0.818 0.591 CB 1.230 11 residues pruned to eliminate duplicates Z: 9 10.634 1.751 0.300 0.860 1.000 0.750 CB 1.215 8 residues pruned to eliminate duplicates Z: 6 6.536 1.668 0.325 0.632 1.000 0.800 O 1.168 Z: 6 3.358 1.618 0.157 0.338 1.000 0.400 CA 0.956 Z: 19 21.698 1.895 0.587 0.833 1.000 0.611 CA 1.275 19 residues pruned to eliminate duplicates Z: 6 7.363 1.812 0.651 0.737 0.800 0.600 CA 1.112 6 residues pruned to eliminate duplicates Z: 11 22.307 1.958 0.555 0.893 1.000 0.900 CA 1.664 11 residues pruned to eliminate duplicates Z: 6 3.877 1.411 0.296 0.640 1.000 0.600 CB 0.832 Z: 11 14.177 1.792 0.339 0.883 0.900 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 11 5.578 1.706 0.679 0.294 0.600 0.300 CB 1.293 8 residues pruned to eliminate duplicates Z: 6 13.016 2.016 0.513 0.706 1.000 0.400 CA 1.582 6 residues pruned to eliminate duplicates Z: 6 4.121 1.753 0.489 0.549 0.600 0.600 CA 1.122 Z: 12 30.157 2.151 0.896 0.862 1.000 0.727 CA 1.638 12 residues pruned to eliminate duplicates Z: 28 18.598 1.804 0.615 0.632 0.852 0.593 CB 1.275 21 residues pruned to eliminate duplicates Z: 75 53.260 2.311 0.837 0.593 0.878 0.635 CB 1.519 75 residues pruned to eliminate duplicates 6 1.738 1.659 0.481 0.338 0.600 0.400 CB 0.629 ? Z: 7 16.533 1.799 0.898 0.761 1.000 0.667 C 1.568 7 residues pruned to eliminate duplicates Z: 10 8.563 1.793 -0.055 0.868 1.000 0.667 CB 1.232 10 residues pruned to eliminate duplicates Z: 8 2.799 1.302 0.388 0.361 0.714 0.429 O 0.952 Z: 104 48.671 2.133 0.705 0.481 0.913 0.583 CB 1.473 104 residues pruned to eliminate duplicates Z: 54 36.028 2.095 0.703 0.572 0.887 0.547 CB 1.459 59 residues pruned to eliminate duplicates Z: 6 4.281 1.883 -0.113 0.429 0.800 0.400 N 1.543 5 residues pruned to eliminate duplicates Z: 12 20.733 1.930 0.803 0.856 1.000 0.636 CA 1.325 12 residues pruned to eliminate duplicates Z: 16 26.371 2.016 1.002 0.893 0.933 0.533 CA 1.298 16 residues pruned to eliminate duplicates Z: 12 17.200 2.174 0.754 0.826 0.818 0.727 CB 1.254 12 residues pruned to eliminate duplicates Z: 9 2.561 1.535 0.227 0.245 0.875 0.500 N 0.737 Z: 12 6.002 1.674 0.182 0.436 0.818 0.364 N 1.194 12 residues pruned to eliminate duplicates Z: 9 8.889 1.560 0.767 0.770 1.000 0.750 CA 0.898 10 residues pruned to eliminate duplicates Z: 12 6.968 1.730 0.325 0.345 0.818 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 10 11.254 2.123 0.351 0.680 0.889 0.556 CB 1.247 10 residues pruned to eliminate duplicates Z: 62 46.173 2.266 0.694 0.696 0.885 0.672 CB 1.455 62 residues pruned to eliminate duplicates Z: 18 24.947 2.147 0.411 0.876 0.941 0.765 CA 1.542 18 residues pruned to eliminate duplicates Z: 14 13.462 1.711 0.400 0.848 0.923 0.846 CA 1.252 13 residues pruned to eliminate duplicates 6 1.883 1.292 0.722 0.491 0.600 0.600 O 0.636 ? Z: 6 4.844 1.566 0.881 0.471 0.600 0.600 N 1.262 Z: 12 14.910 1.783 0.683 0.864 0.909 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 13 21.886 1.945 0.750 0.851 1.000 0.667 CA 1.374 13 residues pruned to eliminate duplicates Z: 10 14.597 1.898 0.474 0.837 1.000 0.667 CA 1.301 10 residues pruned to eliminate duplicates Z: 11 15.635 1.881 0.409 0.851 1.000 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 6 2.849 1.543 0.018 0.546 1.000 0.600 CB 0.775 Z: 10 6.387 1.676 0.765 0.459 0.889 0.444 C 0.844 Z: 20 22.860 2.036 0.638 0.818 0.895 0.526 CB 1.334 20 residues pruned to eliminate duplicates Z: 17 12.276 1.710 0.357 0.661 0.938 0.562 CB 1.215 23 residues pruned to eliminate duplicates Z: 13 15.881 1.813 0.432 0.885 1.000 0.667 CA 1.275 13 residues pruned to eliminate duplicates Z: 16 16.601 1.918 0.609 0.596 0.867 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 21 32.321 2.198 0.940 0.876 0.800 0.500 CA 1.539 21 residues pruned to eliminate duplicates 6 1.344 1.527 0.085 0.475 0.800 0.600 CB 0.466 ? Z: 8 4.634 1.643 0.322 0.367 0.714 0.429 CB 1.303 Z: 14 17.898 1.865 0.735 0.863 0.846 0.769 CA 1.330 14 residues pruned to eliminate duplicates Z: 12 16.124 1.973 0.284 0.925 1.000 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 27 20.381 1.975 0.771 0.530 0.808 0.462 CA 1.374 27 residues pruned to eliminate duplicates Z: 35 26.585 2.116 0.633 0.512 0.853 0.588 CB 1.528 35 residues pruned to eliminate duplicates Z: 38 21.514 2.068 0.675 0.534 0.784 0.405 CB 1.260 38 residues pruned to eliminate duplicates Z: 7 6.883 1.787 0.653 0.435 1.000 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 17 53.075 2.428 1.610 0.865 0.938 0.312 CB 1.636 17 residues pruned to eliminate duplicates Z: 9 13.040 1.846 0.484 0.864 1.000 0.625 CA 1.234 9 residues pruned to eliminate duplicates Z: 11 12.539 1.812 0.556 0.854 0.800 0.200 CB 1.298 11 residues pruned to eliminate duplicates Z: 6 3.722 1.534 0.063 0.596 1.000 1.000 CB 0.932 Z: 6 2.013 1.463 0.151 0.446 0.600 0.600 CB 0.942 6 residues pruned to eliminate duplicates Z: 14 25.067 1.913 0.806 0.896 1.000 0.615 CA 1.442 14 residues pruned to eliminate duplicates Z: 27 17.044 1.968 0.486 0.417 0.923 0.538 CB 1.351 25 residues pruned to eliminate duplicates Z: 130 91.307 2.311 1.022 0.655 0.907 0.574 CA 1.643 130 residues pruned to eliminate duplicates Z: 9 4.073 1.833 0.044 0.401 0.750 0.375 CB 1.114 7 residues pruned to eliminate duplicates Z: 9 32.796 2.473 0.944 0.906 1.000 0.375 CA 1.715 9 residues pruned to eliminate duplicates Z: 11 11.921 1.789 0.477 0.838 1.000 0.800 CB 1.066 10 residues pruned to eliminate duplicates Z: 9 16.082 1.926 0.501 0.849 1.000 0.750 CB 1.458 9 residues pruned to eliminate duplicates Z: 11 12.622 1.705 0.501 0.828 1.000 0.700 CB 1.174 11 residues pruned to eliminate duplicates Z: 16 6.847 1.759 0.518 0.238 0.733 0.533 CB 1.223 16 residues pruned to eliminate duplicates Z: 15 11.997 1.822 0.320 0.726 0.929 0.786 CA 1.171 15 residues pruned to eliminate duplicates Z: 7 7.384 1.596 0.626 0.758 0.833 0.333 CB 1.109 7 residues pruned to eliminate duplicates Z: 13 13.505 1.862 0.568 0.742 0.833 0.750 CA 1.290 13 residues pruned to eliminate duplicates Z: 20 33.774 2.068 0.954 0.839 0.947 0.526 CA 1.512 20 residues pruned to eliminate duplicates Z: 19 27.234 2.219 0.492 0.896 0.944 0.833 CA 1.471 19 residues pruned to eliminate duplicates Z: 13 35.946 2.183 0.927 0.918 1.000 0.667 CA 1.739 13 residues pruned to eliminate duplicates Z: 41 31.978 2.129 0.774 0.554 0.900 0.550 CB 1.411 42 residues pruned to eliminate duplicates Z: 12 13.441 1.750 0.478 0.834 1.000 0.727 CB 1.174 12 residues pruned to eliminate duplicates Z: 9 9.023 1.536 0.431 0.807 1.000 0.625 CB 1.110 9 residues pruned to eliminate duplicates Z: 14 36.539 2.172 1.109 0.918 1.000 0.615 CB 1.560 14 residues pruned to eliminate duplicates Z: 10 17.119 1.937 0.610 0.911 1.000 0.889 CB 1.297 10 residues pruned to eliminate duplicates Z: 14 30.973 2.129 0.953 0.848 1.000 0.692 CA 1.532 14 residues pruned to eliminate duplicates Z: 63 20.566 1.867 0.599 0.452 0.823 0.419 CB 1.117 62 residues pruned to eliminate duplicates Z: 7 7.450 1.641 0.773 0.553 0.833 0.500 CB 1.191 7 residues pruned to eliminate duplicates Z: 21 26.338 2.121 0.568 0.804 0.900 0.650 CA 1.509 21 residues pruned to eliminate duplicates Z: 102 54.037 2.217 0.744 0.504 0.881 0.604 CB 1.572 102 residues pruned to eliminate duplicates Z: 10 9.849 1.609 0.411 0.889 0.889 0.889 CB 1.171 9 residues pruned to eliminate duplicates Z: 123 79.216 2.247 0.852 0.660 0.910 0.664 CB 1.633 123 residues pruned to eliminate duplicates Z: 154 77.508 2.214 0.836 0.578 0.908 0.601 CB 1.574 154 residues pruned to eliminate duplicates Z: 19 34.171 2.331 0.708 0.873 0.889 0.556 CA 1.658 19 residues pruned to eliminate duplicates Z: 13 13.539 1.912 0.901 0.579 0.833 0.583 CB 1.196 13 residues pruned to eliminate duplicates 7 1.781 1.354 0.730 0.491 0.500 0.500 CB 0.626 ? Z: 7 5.908 2.062 0.313 0.345 0.833 0.500 CB 1.266 7 residues pruned to eliminate duplicates Z: 19 22.464 2.114 0.557 0.820 0.889 0.722 CA 1.371 19 residues pruned to eliminate duplicates Z: 11 8.578 1.546 0.389 0.871 0.900 0.700 CB 1.024 11 residues pruned to eliminate duplicates Z: 9 2.493 1.560 0.645 0.183 0.625 0.375 N 0.804 Z: 24 24.447 2.105 0.905 0.533 0.826 0.435 CB 1.490 24 residues pruned to eliminate duplicates Z: 6 6.487 1.527 0.508 0.752 1.000 0.600 CB 1.007 6 residues pruned to eliminate duplicates Z: 27 13.774 1.889 0.454 0.532 0.731 0.423 CB 1.304 30 residues pruned to eliminate duplicates Z: 8 2.692 1.603 0.797 0.206 0.571 0.571 CA 0.876 8 residues pruned to eliminate duplicates Z: 7 8.044 1.706 0.222 0.885 1.000 1.000 CB 1.138 7 residues pruned to eliminate duplicates Z: 56 54.046 2.207 0.868 0.661 0.909 0.564 CB 1.674 56 residues pruned to eliminate duplicates Z: 18 10.702 1.761 0.763 0.420 0.706 0.471 CB 1.287 18 residues pruned to eliminate duplicates Z: 173 102.587 2.315 0.969 0.621 0.907 0.558 CA 1.688 48 residues pruned to eliminate duplicates Z: 8 7.365 1.650 0.893 0.489 1.000 0.714 CB 0.901 8 residues pruned to eliminate duplicates Z: 47 28.886 2.101 0.545 0.476 0.913 0.609 CB 1.472 47 residues pruned to eliminate duplicates Z: 10 4.078 1.625 0.132 0.355 0.778 0.444 N 1.112 10 residues pruned to eliminate duplicates Z: 7 6.259 1.552 0.597 0.590 0.833 0.333 CB 1.135 Z: 12 18.785 1.922 0.758 0.931 0.909 0.636 CB 1.288 12 residues pruned to eliminate duplicates Z: 14 32.051 2.114 1.074 0.892 1.000 0.538 CA 1.457 14 residues pruned to eliminate duplicates Z: 12 15.320 2.004 0.221 0.929 1.000 0.909 CB 1.322 12 residues pruned to eliminate duplicates Z: 73 72.920 2.308 1.037 0.688 0.917 0.528 CA 1.678 73 residues pruned to eliminate duplicates Z: 185 104.163 2.303 0.943 0.612 0.918 0.527 CB 1.679 183 residues pruned to eliminate duplicates Z: 89 79.741 2.331 1.019 0.713 0.875 0.602 CA 1.702 89 residues pruned to eliminate duplicates Z: 14 10.192 1.883 0.874 0.413 0.769 0.462 CB 1.141 14 residues pruned to eliminate duplicates Z: 11 13.287 1.935 0.379 0.881 1.000 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 11 11.800 1.638 0.406 0.901 1.000 1.000 CA 1.156 11 residues pruned to eliminate duplicates Z: 6 4.680 1.773 0.148 0.717 0.600 0.200 CB 1.409 6 residues pruned to eliminate duplicates Z: 12 14.035 1.712 0.643 0.858 1.000 0.909 CA 1.108 12 residues pruned to eliminate duplicates Z: 21 25.558 2.136 0.675 0.846 0.950 0.750 CA 1.249 21 residues pruned to eliminate duplicates Z: 6 3.610 1.968 -0.373 0.477 1.000 0.600 CB 1.340 Z: 15 32.167 2.266 0.910 0.705 1.000 0.786 CA 1.649 15 residues pruned to eliminate duplicates Z: 6 3.910 1.603 0.946 0.493 0.800 0.600 CB 0.705 Z: 13 20.465 1.881 0.728 0.865 1.000 0.667 CB 1.332 13 residues pruned to eliminate duplicates Z: 15 17.594 1.899 0.836 0.925 0.929 0.429 CB 1.019 15 residues pruned to eliminate duplicates Z: 7 4.052 1.621 0.297 0.371 0.833 0.500 CB 1.084 Z: 8 3.746 1.822 0.749 0.153 0.571 0.571 CB 1.190 8 residues pruned to eliminate duplicates Z: 24 17.580 1.969 0.611 0.475 0.913 0.609 CB 1.298 24 residues pruned to eliminate duplicates Z: 146 81.007 2.233 0.877 0.620 0.890 0.614 CB 1.611 151 residues pruned to eliminate duplicates Z: 10 6.346 1.945 0.108 0.491 0.778 0.444 CB 1.273 10 residues pruned to eliminate duplicates Z: 75 53.748 2.223 0.942 0.578 0.878 0.568 CA 1.528 75 residues pruned to eliminate duplicates Z: 6 3.395 1.786 0.172 0.418 1.000 0.600 CB 0.790 Z: 46 48.710 2.311 0.897 0.586 0.911 0.689 CA 1.675 46 residues pruned to eliminate duplicates Z: 26 20.856 1.878 0.710 0.678 0.920 0.680 CB 1.198 27 residues pruned to eliminate duplicates Z: 34 24.663 2.050 0.808 0.370 0.909 0.667 CB 1.465 34 residues pruned to eliminate duplicates Z: 13 14.900 1.779 0.642 0.819 0.833 0.500 CA 1.339 13 residues pruned to eliminate duplicates Z: 6 2.183 1.595 0.398 0.100 0.600 0.400 C 1.216 Z: 16 37.527 2.159 1.059 0.927 1.000 0.667 CA 1.528 16 residues pruned to eliminate duplicates Z: 13 23.739 1.879 0.858 0.917 1.000 0.750 CA 1.386 13 residues pruned to eliminate duplicates Z: 9 15.366 1.893 0.675 0.851 1.000 0.500 CA 1.268 9 residues pruned to eliminate duplicates Z: 9 5.243 1.659 0.287 0.367 0.875 0.500 CB 1.145 9 residues pruned to eliminate duplicates Z: 17 16.651 1.934 0.432 0.574 1.000 0.625 CA 1.400 17 residues pruned to eliminate duplicates Z: 13 12.198 1.871 0.652 0.705 0.833 0.667 CB 1.134 13 residues pruned to eliminate duplicates Z: 71 49.418 2.191 0.527 0.730 0.943 0.714 CA 1.522 71 residues pruned to eliminate duplicates Z: 48 57.752 2.341 0.941 0.676 0.915 0.617 CA 1.723 48 residues pruned to eliminate duplicates Z: 11 15.754 1.993 0.427 0.874 0.900 0.300 CB 1.416 11 residues pruned to eliminate duplicates Z: 6 5.838 1.796 0.808 0.592 0.600 0.600 CB 1.227 6 residues pruned to eliminate duplicates Z: 11 11.169 1.808 0.374 0.724 1.000 0.800 CB 1.162 11 residues pruned to eliminate duplicates Z: 12 9.369 1.881 0.570 0.337 0.909 0.727 CA 1.257 18 residues pruned to eliminate duplicates Z: 49 54.468 2.310 0.929 0.674 0.917 0.583 CA 1.639 49 residues pruned to eliminate duplicates Z: 39 20.921 1.850 0.583 0.618 0.842 0.526 CB 1.231 37 residues pruned to eliminate duplicates Z: 40 51.527 2.263 0.888 0.748 0.974 0.769 CA 1.589 40 residues pruned to eliminate duplicates Z: 54 39.851 2.232 0.672 0.495 0.925 0.642 CB 1.594 54 residues pruned to eliminate duplicates Z: 111 65.344 2.203 0.729 0.652 0.936 0.673 CB 1.516 111 residues pruned to eliminate duplicates Z: 42 37.959 2.220 0.732 0.538 0.951 0.732 CA 1.562 42 residues pruned to eliminate duplicates Z: 16 17.181 1.690 0.703 0.767 1.000 0.667 CA 1.216 16 residues pruned to eliminate duplicates Z: 12 8.608 1.826 0.918 0.330 0.727 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 6 3.574 1.519 0.155 0.377 0.800 0.200 N 1.299 Z: 128 86.148 2.296 0.960 0.642 0.906 0.622 CA 1.641 128 residues pruned to eliminate duplicates Z: 45 25.915 2.018 0.914 0.405 0.841 0.523 CB 1.329 45 residues pruned to eliminate duplicates Z: 11 21.648 2.054 0.708 0.900 1.000 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 6 2.407 1.293 0.546 0.296 0.800 0.600 N 0.846 Z: 24 34.245 2.258 0.821 0.585 1.000 0.739 CA 1.601 24 residues pruned to eliminate duplicates Z: 10 2.828 1.522 0.023 0.338 0.778 0.444 CB 0.929 Z: 6 4.565 1.702 0.890 0.298 0.600 0.400 CA 1.326 Z: 9 7.841 1.680 0.708 0.536 0.875 0.625 CB 1.065 9 residues pruned to eliminate duplicates Z: 54 36.210 2.193 0.527 0.496 0.962 0.660 CA 1.551 54 residues pruned to eliminate duplicates Z: 10 8.856 1.831 0.435 0.874 1.000 0.889 CB 0.818 10 residues pruned to eliminate duplicates Z: 12 4.974 1.700 0.675 0.180 0.636 0.545 N 1.217 12 residues pruned to eliminate duplicates Z: 9 22.352 2.120 0.964 0.837 1.000 0.625 N 1.419 9 residues pruned to eliminate duplicates Z: 17 18.830 2.269 0.468 0.642 0.875 0.688 CA 1.415 17 residues pruned to eliminate duplicates Z: 13 17.667 1.971 0.720 0.854 0.833 0.417 CB 1.333 13 residues pruned to eliminate duplicates Z: 12 10.021 2.023 0.787 0.357 0.727 0.455 CB 1.341 12 residues pruned to eliminate duplicates Z: 39 30.814 2.089 0.698 0.523 0.921 0.579 CB 1.495 39 residues pruned to eliminate duplicates Z: 6 5.703 1.781 0.161 0.664 0.800 0.600 CB 1.324 6 residues pruned to eliminate duplicates Z: 16 16.754 1.798 1.232 0.586 0.800 0.267 CB 1.240 16 residues pruned to eliminate duplicates Z: 9 16.849 1.984 0.685 0.907 1.000 0.875 CB 1.267 9 residues pruned to eliminate duplicates Z: 10 11.546 1.615 0.387 0.844 1.000 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 11 6.236 1.614 0.382 0.424 0.900 0.300 CB 1.064 11 residues pruned to eliminate duplicates Z: 130 93.171 2.303 1.040 0.662 0.915 0.589 CB 1.642 130 residues pruned to eliminate duplicates Z: 6 3.242 1.391 0.739 0.708 1.000 0.600 CB 0.496 Using tripeptides from previous cycle as seeds Z: 14 10.934 1.825 0.518 0.447 0.846 0.538 CB 1.366 18 residues pruned to eliminate duplicates 6 1.432 1.593 0.021 0.288 0.800 0.400 CA 0.624 ? Z: 6 6.860 1.717 0.603 0.288 1.000 0.400 CA 1.416 6 residues pruned to eliminate duplicates Z: 55 47.624 2.209 1.023 0.556 0.889 0.481 CB 1.545 55 residues pruned to eliminate duplicates Z: 54 50.252 2.282 0.887 0.586 0.925 0.566 CB 1.597 54 residues pruned to eliminate duplicates Z: 57 44.207 2.220 0.822 0.551 0.893 0.589 CA 1.556 57 residues pruned to eliminate duplicates Z: 56 48.084 2.210 0.915 0.567 0.909 0.600 CB 1.579 56 residues pruned to eliminate duplicates Z: 129 78.332 2.236 0.877 0.641 0.914 0.531 CB 1.582 129 residues pruned to eliminate duplicates Z: 93 77.319 2.300 1.025 0.637 0.913 0.554 CB 1.666 93 residues pruned to eliminate duplicates Z: 91 62.309 2.241 0.928 0.589 0.889 0.567 CB 1.571 91 residues pruned to eliminate duplicates Z: 104 70.279 2.256 0.852 0.657 0.903 0.621 CA 1.587 104 residues pruned to eliminate duplicates Z: 38 25.864 2.213 0.692 0.497 0.811 0.432 CB 1.405 38 residues pruned to eliminate duplicates Z: 33 29.995 2.159 0.779 0.541 0.875 0.469 CB 1.515 33 residues pruned to eliminate duplicates Z: 57 35.464 2.218 0.847 0.476 0.786 0.554 CA 1.509 57 residues pruned to eliminate duplicates Z: 135 80.381 2.253 0.901 0.629 0.910 0.627 CB 1.577 135 residues pruned to eliminate duplicates Z: 90 62.137 2.241 0.755 0.689 0.899 0.663 CA 1.567 90 residues pruned to eliminate duplicates Z: 78 57.730 2.205 0.896 0.579 0.909 0.506 CB 1.604 78 residues pruned to eliminate duplicates Z: 54 44.569 2.267 0.869 0.569 0.849 0.623 CB 1.593 54 residues pruned to eliminate duplicates Z: 81 63.596 2.268 0.957 0.624 0.900 0.600 CA 1.583 81 residues pruned to eliminate duplicates Z: 131 80.498 2.241 0.961 0.653 0.908 0.608 CB 1.535 131 residues pruned to eliminate duplicates Z: 42 36.596 2.258 0.874 0.512 0.854 0.390 CB 1.563 42 residues pruned to eliminate duplicates Z: 135 81.332 2.236 0.901 0.635 0.918 0.552 CA 1.586 135 residues pruned to eliminate duplicates Z: 132 83.172 2.218 0.989 0.639 0.931 0.595 CB 1.553 132 residues pruned to eliminate duplicates Z: 37 33.292 2.265 0.941 0.518 0.833 0.472 CB 1.487 37 residues pruned to eliminate duplicates Z: 128 83.461 2.257 0.897 0.647 0.929 0.575 CB 1.624 128 residues pruned to eliminate duplicates Z: 20 19.339 2.166 0.877 0.414 0.842 0.579 CA 1.419 20 residues pruned to eliminate duplicates Z: 131 82.445 2.256 0.932 0.651 0.900 0.546 CB 1.602 130 residues pruned to eliminate duplicates Z: 6 3.654 1.645 0.544 0.348 1.000 0.800 CA 0.758 6 residues pruned to eliminate duplicates Z: 104 77.866 2.262 0.987 0.659 0.922 0.660 CA 1.597 104 residues pruned to eliminate duplicates Z: 45 37.459 2.264 0.833 0.489 0.886 0.523 CB 1.552 45 residues pruned to eliminate duplicates Z: 25 29.089 2.196 0.902 0.510 0.875 0.458 CA 1.608 25 residues pruned to eliminate duplicates Z: 21 21.549 2.169 0.896 0.417 0.800 0.450 CA 1.597 21 residues pruned to eliminate duplicates Z: 86 48.425 2.149 0.771 0.495 0.918 0.576 CB 1.512 86 residues pruned to eliminate duplicates Z: 128 85.849 2.269 0.949 0.660 0.913 0.614 CB 1.626 128 residues pruned to eliminate duplicates Z: 127 85.335 2.263 0.938 0.655 0.944 0.611 CB 1.589 129 residues pruned to eliminate duplicates Z: 15 16.359 2.361 0.336 0.663 0.857 0.714 CB 1.390 15 residues pruned to eliminate duplicates Z: 64 35.547 2.166 0.518 0.506 0.905 0.651 CB 1.496 64 residues pruned to eliminate duplicates Z: 67 38.531 2.100 0.699 0.475 0.909 0.621 CB 1.499 67 residues pruned to eliminate duplicates Z: 35 34.723 2.335 0.540 0.584 0.941 0.794 CA 1.623 35 residues pruned to eliminate duplicates Z: 150 85.561 2.270 0.881 0.613 0.913 0.678 CA 1.617 150 residues pruned to eliminate duplicates Z: 49 37.928 2.303 0.524 0.533 0.958 0.625 CA 1.575 49 residues pruned to eliminate duplicates Z: 50 40.206 2.292 0.627 0.535 0.918 0.633 CA 1.620 50 residues pruned to eliminate duplicates Z: 44 26.984 2.035 0.491 0.495 0.953 0.581 CA 1.430 44 residues pruned to eliminate duplicates Z: 159 79.399 2.247 0.852 0.577 0.905 0.595 CB 1.557 159 residues pruned to eliminate duplicates Z: 48 43.110 2.314 0.773 0.536 0.915 0.660 CA 1.617 48 residues pruned to eliminate duplicates Z: 33 27.911 2.301 0.575 0.547 0.875 0.688 CA 1.486 33 residues pruned to eliminate duplicates Z: 53 34.687 2.270 0.550 0.481 0.923 0.635 CA 1.509 53 residues pruned to eliminate duplicates Z: 73 51.505 2.283 0.814 0.556 0.917 0.597 CB 1.514 73 residues pruned to eliminate duplicates Z: 63 38.607 2.171 0.582 0.521 0.935 0.597 CB 1.495 62 residues pruned to eliminate duplicates Z: 9 12.817 2.048 0.544 0.499 1.000 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 62 40.976 2.198 0.602 0.520 0.967 0.672 CA 1.511 63 residues pruned to eliminate duplicates Z: 6 12.263 2.151 0.807 0.591 0.800 0.600 CA 1.617 6 residues pruned to eliminate duplicates Z: 11 15.929 2.213 0.567 0.417 0.900 0.500 CA 1.761 11 residues pruned to eliminate duplicates Z: 14 19.946 2.209 0.981 0.333 1.000 0.462 CA 1.518 14 residues pruned to eliminate duplicates Z: 63 38.621 2.200 0.652 0.496 0.919 0.629 CB 1.474 63 residues pruned to eliminate duplicates Z: 25 27.987 2.293 0.641 0.537 0.958 0.583 CB 1.527 25 residues pruned to eliminate duplicates Z: 25 28.403 2.322 0.890 0.561 0.833 0.792 CB 1.495 25 residues pruned to eliminate duplicates Z: 11 4.800 1.873 0.535 0.225 0.700 0.100 CB 1.040 11 residues pruned to eliminate duplicates Z: 31 22.583 2.077 0.639 0.589 0.800 0.433 CB 1.391 31 residues pruned to eliminate duplicates Z: 59 44.340 2.231 0.486 0.694 0.931 0.690 CA 1.581 59 residues pruned to eliminate duplicates Z: 131 75.138 2.240 0.736 0.656 0.923 0.669 CA 1.588 131 residues pruned to eliminate duplicates Z: 33 20.252 2.010 0.433 0.509 0.906 0.656 CB 1.359 33 residues pruned to eliminate duplicates Z: 26 31.036 2.238 0.538 0.684 0.960 0.600 CB 1.587 26 residues pruned to eliminate duplicates Z: 100 70.659 2.245 0.778 0.675 0.960 0.657 CA 1.577 100 residues pruned to eliminate duplicates Z: 131 75.729 2.215 0.786 0.639 0.923 0.592 CA 1.597 131 residues pruned to eliminate duplicates Z: 29 29.044 2.170 0.582 0.631 0.929 0.679 CB 1.523 29 residues pruned to eliminate duplicates Z: 31 26.789 2.186 0.658 0.559 0.867 0.600 CB 1.471 31 residues pruned to eliminate duplicates Z: 61 51.786 2.214 0.629 0.719 0.967 0.717 CA 1.573 61 residues pruned to eliminate duplicates Z: 40 22.767 2.007 0.569 0.472 0.923 0.538 CB 1.291 40 residues pruned to eliminate duplicates Z: 118 73.944 2.237 0.794 0.669 0.923 0.667 CA 1.578 118 residues pruned to eliminate duplicates Z: 55 40.637 2.130 0.606 0.676 0.926 0.741 CB 1.485 55 residues pruned to eliminate duplicates Z: 109 61.246 2.184 0.704 0.640 0.907 0.704 CA 1.530 109 residues pruned to eliminate duplicates Z: 28 31.054 2.240 0.620 0.639 0.926 0.704 CB 1.563 28 residues pruned to eliminate duplicates Z: 101 56.274 2.180 0.597 0.649 0.940 0.680 CA 1.497 101 residues pruned to eliminate duplicates Z: 126 74.131 2.251 0.776 0.627 0.904 0.568 CA 1.627 126 residues pruned to eliminate duplicates Z: 38 32.145 2.105 0.717 0.652 0.919 0.595 CA 1.381 38 residues pruned to eliminate duplicates Z: 127 79.614 2.256 0.821 0.646 0.913 0.603 CA 1.651 127 residues pruned to eliminate duplicates Z: 25 32.900 2.196 0.818 0.670 0.958 0.708 CB 1.500 25 residues pruned to eliminate duplicates Z: 131 79.600 2.249 0.882 0.642 0.900 0.608 CA 1.604 131 residues pruned to eliminate duplicates Z: 31 32.084 2.141 0.840 0.564 0.967 0.467 CB 1.445 31 residues pruned to eliminate duplicates Z: 34 32.069 2.131 0.876 0.550 0.909 0.455 CB 1.462 34 residues pruned to eliminate duplicates Z: 28 31.239 2.208 0.836 0.637 0.889 0.444 CB 1.467 28 residues pruned to eliminate duplicates Z: 30 33.756 2.199 0.787 0.607 0.931 0.483 CB 1.547 30 residues pruned to eliminate duplicates Z: 130 79.275 2.260 0.789 0.655 0.946 0.651 CA 1.580 130 residues pruned to eliminate duplicates Z: 131 74.062 2.240 0.837 0.618 0.892 0.677 CA 1.582 131 residues pruned to eliminate duplicates Z: 121 77.377 2.277 0.756 0.660 0.917 0.692 CB 1.662 121 residues pruned to eliminate duplicates Z: 102 58.774 2.192 0.603 0.675 0.950 0.673 CA 1.490 102 residues pruned to eliminate duplicates Z: 129 75.792 2.237 0.767 0.644 0.930 0.570 CB 1.593 129 residues pruned to eliminate duplicates Z: 105 63.980 2.237 0.704 0.657 0.904 0.683 CA 1.574 105 residues pruned to eliminate duplicates Z: 62 54.164 2.236 0.825 0.682 0.967 0.672 CA 1.487 62 residues pruned to eliminate duplicates Z: 40 33.462 2.123 0.767 0.685 0.872 0.487 CB 1.382 40 residues pruned to eliminate duplicates Z: 51 44.297 2.184 0.715 0.715 0.960 0.740 CA 1.433 51 residues pruned to eliminate duplicates Z: 116 71.547 2.232 0.768 0.666 0.904 0.643 CB 1.604 116 residues pruned to eliminate duplicates Z: 134 71.982 2.242 0.736 0.628 0.910 0.639 CB 1.562 134 residues pruned to eliminate duplicates Z: 122 66.358 2.201 0.661 0.633 0.909 0.612 CA 1.603 122 residues pruned to eliminate duplicates Z: 106 63.293 2.218 0.779 0.625 0.905 0.581 CA 1.537 106 residues pruned to eliminate duplicates Z: 121 72.398 2.240 0.847 0.639 0.883 0.608 CB 1.588 121 residues pruned to eliminate duplicates Z: 106 75.078 2.248 0.878 0.682 0.924 0.667 CA 1.590 106 residues pruned to eliminate duplicates Z: 104 69.813 2.269 0.807 0.655 0.893 0.621 CA 1.626 104 residues pruned to eliminate duplicates Z: 46 42.042 2.230 0.783 0.733 0.911 0.800 CA 1.403 46 residues pruned to eliminate duplicates Z: 102 75.541 2.294 0.855 0.663 0.921 0.634 CB 1.649 102 residues pruned to eliminate duplicates Z: 94 69.295 2.245 0.817 0.681 0.925 0.699 CA 1.613 94 residues pruned to eliminate duplicates Z: 59 52.830 2.252 0.718 0.719 0.948 0.707 CA 1.552 59 residues pruned to eliminate duplicates Z: 103 76.534 2.279 0.864 0.662 0.931 0.686 CA 1.649 103 residues pruned to eliminate duplicates Z: 111 67.081 2.213 0.896 0.652 0.864 0.636 CA 1.533 111 residues pruned to eliminate duplicates Z: 55 51.837 2.177 0.911 0.693 0.963 0.630 CB 1.477 55 residues pruned to eliminate duplicates Z: 93 61.112 2.297 0.849 0.616 0.826 0.630 CA 1.627 93 residues pruned to eliminate duplicates Z: 69 60.270 2.258 0.842 0.715 0.941 0.765 CA 1.537 69 residues pruned to eliminate duplicates Z: 134 73.254 2.244 0.719 0.630 0.917 0.632 CA 1.590 134 residues pruned to eliminate duplicates Z: 92 67.400 2.299 0.859 0.637 0.879 0.659 CA 1.653 92 residues pruned to eliminate duplicates Z: 103 69.217 2.296 0.818 0.653 0.892 0.686 CA 1.596 103 residues pruned to eliminate duplicates Z: 93 70.573 2.314 0.859 0.642 0.913 0.652 CA 1.641 93 residues pruned to eliminate duplicates Z: 122 75.166 2.224 0.870 0.630 0.909 0.628 CB 1.599 122 residues pruned to eliminate duplicates Z: 104 71.972 2.266 0.839 0.658 0.903 0.641 CB 1.628 104 residues pruned to eliminate duplicates Z: 132 75.686 2.245 0.766 0.643 0.916 0.718 CB 1.593 132 residues pruned to eliminate duplicates Z: 104 72.674 2.270 0.866 0.661 0.903 0.680 CA 1.612 104 residues pruned to eliminate duplicates Z: 107 71.216 2.255 0.855 0.648 0.906 0.670 CA 1.591 107 residues pruned to eliminate duplicates Z: 129 80.278 2.262 0.845 0.656 0.891 0.672 CB 1.651 129 residues pruned to eliminate duplicates Z: 113 73.709 2.246 0.810 0.679 0.911 0.688 CA 1.596 113 residues pruned to eliminate duplicates Z: 80 56.596 2.273 0.820 0.598 0.848 0.570 CB 1.653 80 residues pruned to eliminate duplicates Z: 130 81.036 2.245 0.849 0.638 0.946 0.605 CA 1.597 130 residues pruned to eliminate duplicates Z: 104 69.612 2.242 0.937 0.652 0.874 0.660 CA 1.569 104 residues pruned to eliminate duplicates Z: 95 69.962 2.245 0.855 0.692 0.926 0.628 CA 1.571 95 residues pruned to eliminate duplicates Z: 81 62.919 2.269 0.938 0.601 0.913 0.588 CA 1.592 81 residues pruned to eliminate duplicates Z: 105 72.970 2.256 0.886 0.650 0.913 0.644 CB 1.601 105 residues pruned to eliminate duplicates Z: 93 68.883 2.301 0.926 0.622 0.880 0.587 CB 1.640 93 residues pruned to eliminate duplicates Z: 104 74.722 2.275 0.873 0.649 0.913 0.641 CB 1.647 104 residues pruned to eliminate duplicates Z: 113 80.619 2.271 0.880 0.696 0.938 0.652 CB 1.592 113 residues pruned to eliminate duplicates Z: 125 81.111 2.243 1.014 0.639 0.903 0.581 CB 1.567 125 residues pruned to eliminate duplicates Z: 117 74.341 2.243 0.839 0.681 0.897 0.578 CB 1.580 117 residues pruned to eliminate duplicates Z: 132 84.090 2.275 0.920 0.638 0.931 0.611 CB 1.587 132 residues pruned to eliminate duplicates Z: 97 76.333 2.234 0.942 0.696 0.948 0.646 CB 1.583 97 residues pruned to eliminate duplicates Z: 184 91.744 2.230 0.880 0.610 0.918 0.579 CB 1.587 184 residues pruned to eliminate duplicates Z: 108 67.371 2.257 0.862 0.631 0.850 0.570 CB 1.612 108 residues pruned to eliminate duplicates Z: 87 72.668 2.322 1.008 0.633 0.895 0.547 CB 1.657 87 residues pruned to eliminate duplicates Z: 116 80.888 2.245 0.951 0.678 0.922 0.652 CB 1.587 116 residues pruned to eliminate duplicates Z: 82 60.936 2.260 0.945 0.568 0.889 0.543 CB 1.622 82 residues pruned to eliminate duplicates Z: 133 77.914 2.233 0.886 0.643 0.894 0.591 CB 1.577 133 residues pruned to eliminate duplicates Z: 32 30.356 2.140 0.830 0.533 0.903 0.484 CA 1.491 32 residues pruned to eliminate duplicates Z: 55 46.128 2.258 0.850 0.560 0.870 0.556 CB 1.630 55 residues pruned to eliminate duplicates Z: 41 34.695 2.241 0.706 0.610 0.800 0.550 CB 1.616 41 residues pruned to eliminate duplicates Z: 130 82.837 2.258 0.947 0.649 0.907 0.636 CB 1.592 129 residues pruned to eliminate duplicates Z: 17 18.771 1.962 0.784 0.759 0.812 0.438 CA 1.310 17 residues pruned to eliminate duplicates Z: 131 80.687 2.253 0.882 0.640 0.908 0.554 CB 1.613 131 residues pruned to eliminate duplicates Z: 94 75.225 2.245 0.963 0.685 0.925 0.538 CA 1.616 93 residues pruned to eliminate duplicates Z: 16 22.846 2.101 0.908 0.684 0.933 0.467 CA 1.332 16 residues pruned to eliminate duplicates Z: 198 87.419 2.223 0.824 0.583 0.909 0.609 CB 1.562 198 residues pruned to eliminate duplicates Z: 12 18.343 2.204 0.567 0.646 0.909 0.727 CB 1.538 12 residues pruned to eliminate duplicates Z: 32 28.939 2.161 0.665 0.475 0.968 0.516 CA 1.531 32 residues pruned to eliminate duplicates Z: 40 28.002 2.066 0.635 0.471 0.949 0.641 CB 1.441 40 residues pruned to eliminate duplicates Z: 40 32.987 2.069 0.755 0.532 0.974 0.564 CB 1.446 41 residues pruned to eliminate duplicates Z: 13 22.185 2.069 0.959 0.835 0.917 0.667 CA 1.291 13 residues pruned to eliminate duplicates Z: 31 30.605 2.207 0.753 0.445 0.967 0.467 CA 1.580 31 residues pruned to eliminate duplicates Z: 24 30.556 2.269 0.884 0.561 0.913 0.652 CA 1.539 24 residues pruned to eliminate duplicates Z: 37 28.959 2.096 0.817 0.467 0.889 0.583 CA 1.474 37 residues pruned to eliminate duplicates Z: 41 27.954 2.022 0.652 0.474 0.950 0.625 CA 1.430 39 residues pruned to eliminate duplicates Z: 12 26.618 2.306 0.723 0.865 1.000 0.455 CA 1.480 12 residues pruned to eliminate duplicates Z: 26 34.121 2.240 0.974 0.503 1.000 0.520 CA 1.538 26 residues pruned to eliminate duplicates Z: 30 28.015 2.078 0.796 0.406 0.931 0.552 CA 1.653 30 residues pruned to eliminate duplicates Z: 50 29.798 2.132 0.653 0.415 0.878 0.633 CA 1.504 30 residues pruned to eliminate duplicates Z: 6 4.150 1.907 0.635 0.174 0.800 0.400 CA 1.103 6 residues pruned to eliminate duplicates Z: 43 28.473 2.064 0.634 0.415 1.000 0.595 CB 1.424 43 residues pruned to eliminate duplicates Z: 28 30.519 2.247 0.961 0.433 0.926 0.556 CA 1.543 28 residues pruned to eliminate duplicates Z: 13 10.765 1.983 0.838 0.188 0.750 0.417 CA 1.652 13 residues pruned to eliminate duplicates Z: 26 16.241 1.869 0.623 0.427 0.880 0.560 CB 1.312 26 residues pruned to eliminate duplicates Z: 13 11.335 1.937 0.838 0.275 0.917 0.667 CA 1.294 13 residues pruned to eliminate duplicates Z: 15 10.583 1.893 0.906 0.214 0.786 0.571 CB 1.398 15 residues pruned to eliminate duplicates Z: 11 10.554 2.058 0.789 0.175 0.900 0.500 CB 1.493 11 residues pruned to eliminate duplicates Z: 34 23.439 2.060 0.788 0.400 0.848 0.485 CB 1.451 34 residues pruned to eliminate duplicates Z: 15 11.201 2.093 0.830 0.211 0.786 0.500 CA 1.399 15 residues pruned to eliminate duplicates Z: 32 25.217 2.110 0.868 0.392 0.903 0.516 CB 1.425 32 residues pruned to eliminate duplicates Z: 129 90.821 2.322 0.939 0.665 0.922 0.648 CA 1.661 129 residues pruned to eliminate duplicates Z: 128 91.155 2.323 1.004 0.653 0.913 0.614 CA 1.649 128 residues pruned to eliminate duplicates Z: 130 87.800 2.309 0.927 0.669 0.922 0.651 CA 1.611 130 residues pruned to eliminate duplicates Z: 44 58.536 2.345 0.905 0.687 0.953 0.558 CA 1.765 44 residues pruned to eliminate duplicates Z: 18 27.251 2.176 0.588 0.847 1.000 0.706 CA 1.420 18 residues pruned to eliminate duplicates Z: 135 83.919 2.281 0.919 0.642 0.903 0.642 CA 1.606 135 residues pruned to eliminate duplicates Z: 49 43.769 2.242 0.758 0.601 0.854 0.521 CA 1.705 49 residues pruned to eliminate duplicates Z: 133 80.151 2.272 0.892 0.633 0.909 0.591 CA 1.576 133 residues pruned to eliminate duplicates Z: 162 89.121 2.282 0.818 0.627 0.919 0.634 CB 1.634 162 residues pruned to eliminate duplicates Z: 102 87.872 2.332 0.999 0.684 0.941 0.574 CB 1.684 102 residues pruned to eliminate duplicates Z: 135 86.185 2.287 0.989 0.644 0.888 0.597 CA 1.612 135 residues pruned to eliminate duplicates Z: 130 89.450 2.319 0.963 0.661 0.907 0.612 CA 1.643 130 residues pruned to eliminate duplicates Z: 106 78.330 2.278 0.958 0.642 0.905 0.581 CA 1.660 106 residues pruned to eliminate duplicates Z: 126 85.032 2.307 0.882 0.623 0.936 0.520 CB 1.667 126 residues pruned to eliminate duplicates Z: 62 48.465 2.260 0.797 0.648 0.803 0.574 CA 1.656 62 residues pruned to eliminate duplicates Z: 53 61.310 2.312 1.050 0.689 0.885 0.500 CB 1.706 53 residues pruned to eliminate duplicates Z: 128 93.748 2.290 1.029 0.651 0.937 0.559 CA 1.661 128 residues pruned to eliminate duplicates Z: 114 81.398 2.277 0.916 0.692 0.912 0.593 CA 1.616 114 residues pruned to eliminate duplicates Z: 132 93.517 2.302 1.056 0.649 0.908 0.542 CA 1.654 132 residues pruned to eliminate duplicates Z: 121 82.200 2.308 0.900 0.667 0.892 0.583 CA 1.644 121 residues pruned to eliminate duplicates Z: 103 79.726 2.280 0.908 0.679 0.931 0.578 CA 1.654 103 residues pruned to eliminate duplicates Z: 138 93.622 2.287 0.908 0.665 0.927 0.620 CA 1.698 138 residues pruned to eliminate duplicates Z: 91 77.876 2.344 0.887 0.696 0.922 0.656 CA 1.682 91 residues pruned to eliminate duplicates Z: 80 75.460 2.344 0.984 0.676 0.924 0.620 CA 1.680 80 residues pruned to eliminate duplicates Z: 108 85.686 2.336 0.992 0.664 0.925 0.654 CA 1.653 108 residues pruned to eliminate duplicates Z: 46 47.052 2.227 0.983 0.641 0.844 0.533 CB 1.648 46 residues pruned to eliminate duplicates Z: 104 81.316 2.305 0.983 0.666 0.913 0.641 CA 1.647 104 residues pruned to eliminate duplicates Z: 102 82.592 2.330 0.917 0.681 0.931 0.624 CA 1.675 102 residues pruned to eliminate duplicates Z: 131 91.688 2.306 0.914 0.661 0.946 0.654 CA 1.659 131 residues pruned to eliminate duplicates Z: 131 86.822 2.309 0.933 0.648 0.915 0.615 CA 1.624 131 residues pruned to eliminate duplicates Z: 130 84.211 2.314 0.874 0.667 0.907 0.667 CA 1.615 130 residues pruned to eliminate duplicates Z: 131 87.496 2.319 0.920 0.645 0.923 0.623 CA 1.632 131 residues pruned to eliminate duplicates Z: 100 85.327 2.349 0.947 0.686 0.929 0.626 CA 1.701 100 residues pruned to eliminate duplicates Z: 131 84.285 2.291 0.932 0.631 0.908 0.585 CA 1.627 131 residues pruned to eliminate duplicates Z: 122 86.357 2.302 0.950 0.670 0.926 0.628 CA 1.614 122 residues pruned to eliminate duplicates Z: 113 79.213 2.302 0.876 0.631 0.929 0.652 CA 1.651 113 residues pruned to eliminate duplicates Z: 129 90.460 2.317 1.019 0.649 0.898 0.617 CA 1.656 129 residues pruned to eliminate duplicates Z: 124 91.458 2.331 0.957 0.668 0.919 0.675 CA 1.685 124 residues pruned to eliminate duplicates Z: 158 87.313 2.273 0.939 0.623 0.892 0.650 CA 1.579 130 residues pruned to eliminate duplicates Z: 14 29.759 2.434 0.680 0.896 1.000 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 71 73.461 2.360 0.935 0.713 0.943 0.614 CA 1.682 71 residues pruned to eliminate duplicates Z: 115 79.274 2.272 0.937 0.671 0.886 0.667 CA 1.626 115 residues pruned to eliminate duplicates Z: 135 83.973 2.283 0.922 0.644 0.903 0.612 CA 1.601 135 residues pruned to eliminate duplicates Z: 112 83.034 2.310 1.011 0.630 0.910 0.586 CA 1.651 112 residues pruned to eliminate duplicates Z: 92 70.543 2.322 0.896 0.649 0.934 0.692 CA 1.565 92 residues pruned to eliminate duplicates Z: 124 99.375 2.343 1.058 0.681 0.927 0.610 CA 1.697 124 residues pruned to eliminate duplicates Z: 93 77.092 2.331 0.937 0.687 0.924 0.685 CA 1.623 93 residues pruned to eliminate duplicates Z: 125 91.107 2.336 0.998 0.658 0.911 0.645 CA 1.660 125 residues pruned to eliminate duplicates Z: 68 69.577 2.354 0.893 0.710 0.910 0.582 CA 1.732 68 residues pruned to eliminate duplicates Z: 130 98.097 2.326 1.007 0.662 0.946 0.581 CA 1.683 130 residues pruned to eliminate duplicates Z: 125 95.445 2.343 1.025 0.655 0.919 0.565 CA 1.702 125 residues pruned to eliminate duplicates Z: 127 85.356 2.310 0.900 0.641 0.905 0.635 CA 1.677 127 residues pruned to eliminate duplicates Z: 125 94.669 2.326 1.028 0.671 0.919 0.661 CA 1.674 125 residues pruned to eliminate duplicates Z: 127 87.421 2.304 0.981 0.645 0.913 0.587 CA 1.632 127 residues pruned to eliminate duplicates Z: 131 96.360 2.319 1.035 0.654 0.931 0.585 CA 1.667 131 residues pruned to eliminate duplicates Z: 102 85.778 2.341 0.973 0.678 0.931 0.594 CA 1.685 102 residues pruned to eliminate duplicates Z: 132 86.442 2.297 0.945 0.642 0.916 0.588 CA 1.616 132 residues pruned to eliminate duplicates Z: 83 67.031 2.250 1.022 0.614 0.927 0.598 CA 1.575 83 residues pruned to eliminate duplicates Z: 114 82.737 2.293 1.067 0.684 0.876 0.584 CA 1.583 114 residues pruned to eliminate duplicates Z: 99 91.244 2.373 1.041 0.695 0.939 0.571 CA 1.697 99 residues pruned to eliminate duplicates Z: 93 81.388 2.335 1.015 0.692 0.913 0.674 CA 1.657 93 residues pruned to eliminate duplicates Z: 102 87.059 2.348 0.998 0.674 0.941 0.723 CA 1.672 102 residues pruned to eliminate duplicates Z: 108 79.466 2.277 1.075 0.635 0.879 0.523 CB 1.631 108 residues pruned to eliminate duplicates Z: 109 90.938 2.332 0.997 0.708 0.935 0.620 CA 1.662 109 residues pruned to eliminate duplicates Z: 129 88.791 2.311 0.966 0.638 0.914 0.570 CA 1.661 129 residues pruned to eliminate duplicates Z: 105 83.799 2.321 0.981 0.662 0.923 0.577 CA 1.666 105 residues pruned to eliminate duplicates Z: 124 94.497 2.341 0.996 0.653 0.935 0.545 CA 1.692 124 residues pruned to eliminate duplicates Z: 104 87.218 2.345 1.054 0.661 0.913 0.583 CB 1.684 104 residues pruned to eliminate duplicates Z: 131 92.351 2.301 1.010 0.641 0.931 0.631 CA 1.648 131 residues pruned to eliminate duplicates Z: 126 98.321 2.332 1.081 0.663 0.920 0.560 CA 1.694 126 residues pruned to eliminate duplicates Z: 126 97.848 2.331 1.054 0.662 0.936 0.568 CA 1.681 126 residues pruned to eliminate duplicates Z: 108 82.431 2.291 0.983 0.689 0.935 0.607 CA 1.579 108 residues pruned to eliminate duplicates Z: 104 87.534 2.335 0.928 0.685 0.961 0.621 CA 1.682 104 residues pruned to eliminate duplicates Z: 132 89.179 2.293 0.994 0.647 0.908 0.557 CA 1.636 132 residues pruned to eliminate duplicates Z: 134 85.238 2.286 0.925 0.639 0.910 0.534 CA 1.622 134 residues pruned to eliminate duplicates Z: 133 89.859 2.291 0.997 0.653 0.917 0.606 CA 1.618 133 residues pruned to eliminate duplicates Z: 129 88.461 2.314 0.963 0.656 0.906 0.570 CA 1.643 129 residues pruned to eliminate duplicates Z: 49 48.509 2.294 1.001 0.577 0.875 0.500 CA 1.618 49 residues pruned to eliminate duplicates Z: 54 48.336 2.264 1.023 0.573 0.887 0.547 CB 1.524 54 residues pruned to eliminate duplicates Z: 101 79.103 2.303 0.897 0.707 0.900 0.610 CA 1.667 101 residues pruned to eliminate duplicates Z: 131 93.163 2.300 1.043 0.652 0.915 0.531 CA 1.648 131 residues pruned to eliminate duplicates Z: 129 85.775 2.311 0.948 0.663 0.898 0.625 CA 1.611 129 residues pruned to eliminate duplicates Z: 169 96.911 2.257 0.963 0.614 0.929 0.536 CA 1.631 169 residues pruned to eliminate duplicates Z: 117 83.840 2.294 0.956 0.675 0.914 0.517 CA 1.616 117 residues pruned to eliminate duplicates Z: 134 88.061 2.284 0.992 0.634 0.902 0.556 CA 1.640 134 residues pruned to eliminate duplicates Z: 95 75.647 2.286 1.049 0.640 0.904 0.574 CA 1.615 95 residues pruned to eliminate duplicates Z: 167 95.243 2.292 0.911 0.631 0.922 0.578 CA 1.619 167 residues pruned to eliminate duplicates Z: 131 91.855 2.290 1.006 0.660 0.923 0.538 CA 1.638 131 residues pruned to eliminate duplicates Z: 128 79.361 2.265 0.938 0.596 0.898 0.559 CA 1.631 128 residues pruned to eliminate duplicates Z: 115 89.494 2.304 1.033 0.676 0.930 0.588 CA 1.637 115 residues pruned to eliminate duplicates Z: 149 82.932 2.225 0.909 0.592 0.919 0.615 CB 1.599 149 residues pruned to eliminate duplicates Z: 63 45.686 2.205 0.937 0.544 0.839 0.532 CB 1.551 63 residues pruned to eliminate duplicates Z: 13 15.902 2.212 0.924 0.468 0.917 0.583 CB 1.215 13 residues pruned to eliminate duplicates Z: 149 88.824 2.279 0.957 0.617 0.905 0.615 CA 1.620 149 residues pruned to eliminate duplicates Z: 50 49.717 2.298 1.034 0.564 0.898 0.653 CB 1.590 50 residues pruned to eliminate duplicates Z: 36 37.811 2.231 0.949 0.539 0.943 0.486 CA 1.500 36 residues pruned to eliminate duplicates Z: 144 72.285 2.175 0.937 0.551 0.902 0.524 CB 1.514 144 residues pruned to eliminate duplicates Z: 125 95.531 2.309 1.037 0.664 0.935 0.565 CA 1.676 125 residues pruned to eliminate duplicates Z: 164 103.366 2.294 1.010 0.652 0.914 0.638 CB 1.668 273 residues pruned to eliminate duplicates Z: 12 22.059 2.019 0.965 0.864 0.909 0.636 CA 1.352 12 residues pruned to eliminate duplicates Z: 93 78.862 2.315 1.124 0.645 0.913 0.598 CB 1.600 93 residues pruned to eliminate duplicates Z: 100 57.271 2.227 0.829 0.507 0.929 0.566 CB 1.510 100 residues pruned to eliminate duplicates Z: 127 97.990 2.331 1.074 0.650 0.921 0.595 CB 1.706 127 residues pruned to eliminate duplicates Z: 165 94.844 2.311 0.915 0.597 0.902 0.518 CA 1.691 165 residues pruned to eliminate duplicates Z: 204 108.898 2.275 0.945 0.626 0.926 0.547 CA 1.656 204 residues pruned to eliminate duplicates Z: 31 27.392 2.089 0.867 0.457 0.900 0.400 CB 1.488 31 residues pruned to eliminate duplicates Z: 131 89.994 2.304 1.013 0.635 0.900 0.546 CA 1.666 131 residues pruned to eliminate duplicates Z: 55 41.545 2.186 0.907 0.511 0.852 0.537 CB 1.575 55 residues pruned to eliminate duplicates Z: 37 29.645 2.170 0.992 0.507 0.778 0.389 CA 1.459 37 residues pruned to eliminate duplicates Z: 25 21.108 2.123 0.683 0.388 0.833 0.333 CB 1.630 25 residues pruned to eliminate duplicates Z: 127 92.135 2.316 1.044 0.645 0.905 0.532 CB 1.674 127 residues pruned to eliminate duplicates Z: 21 19.791 2.207 0.939 0.358 0.750 0.400 CA 1.607 21 residues pruned to eliminate duplicates Z: 124 83.603 2.288 1.038 0.622 0.878 0.496 CA 1.640 124 residues pruned to eliminate duplicates Z: 169 96.356 2.267 0.982 0.621 0.917 0.554 CA 1.611 169 residues pruned to eliminate duplicates Z: 53 46.179 2.230 1.048 0.573 0.827 0.538 CA 1.580 53 residues pruned to eliminate duplicates Z: 37 33.779 2.174 0.993 0.528 0.861 0.500 CA 1.467 37 residues pruned to eliminate duplicates Z: 38 29.030 2.076 1.012 0.559 0.757 0.486 CA 1.426 38 residues pruned to eliminate duplicates Z: 88 79.028 2.330 1.031 0.642 0.943 0.529 CB 1.663 88 residues pruned to eliminate duplicates Z: 30 36.033 2.238 1.044 0.579 0.897 0.483 CA 1.511 30 residues pruned to eliminate duplicates Z: 22 21.661 2.040 1.041 0.443 0.905 0.571 CA 1.331 22 residues pruned to eliminate duplicates Z: 128 90.832 2.333 0.976 0.669 0.913 0.630 CA 1.637 128 residues pruned to eliminate duplicates Z: 187 99.119 2.297 0.886 0.616 0.909 0.581 CA 1.654 187 residues pruned to eliminate duplicates Z: 194 101.950 2.291 0.963 0.574 0.912 0.606 CB 1.665 194 residues pruned to eliminate duplicates Z: 33 28.490 2.159 0.975 0.481 0.781 0.375 CB 1.542 33 residues pruned to eliminate duplicates Z: 128 88.554 2.311 0.944 0.650 0.906 0.575 CA 1.680 128 residues pruned to eliminate duplicates Z: 176 101.646 2.302 0.947 0.590 0.943 0.583 CA 1.667 176 residues pruned to eliminate duplicates Z: 97 59.827 2.256 0.773 0.516 0.906 0.542 CB 1.657 97 residues pruned to eliminate duplicates Z: 96 56.726 2.261 0.671 0.525 0.937 0.621 CA 1.604 96 residues pruned to eliminate duplicates Z: 67 49.610 2.278 0.656 0.528 0.985 0.667 CA 1.598 67 residues pruned to eliminate duplicates Z: 12 25.335 2.315 0.593 0.857 1.000 0.818 CA 1.526 12 residues pruned to eliminate duplicates Z: 69 43.282 2.216 0.644 0.483 0.912 0.574 CA 1.607 68 residues pruned to eliminate duplicates Z: 14 30.051 2.144 0.969 0.883 1.000 1.000 CA 1.427 14 residues pruned to eliminate duplicates Z: 193 105.591 2.309 0.888 0.616 0.953 0.630 CA 1.644 193 residues pruned to eliminate duplicates Z: 194 100.367 2.303 0.895 0.596 0.922 0.585 CA 1.638 194 residues pruned to eliminate duplicates Z: 68 48.539 2.281 0.667 0.524 0.925 0.761 CA 1.646 68 residues pruned to eliminate duplicates Z: 54 45.073 2.314 0.724 0.487 0.962 0.660 CA 1.633 54 residues pruned to eliminate duplicates Z: 197 98.666 2.279 0.870 0.588 0.923 0.617 CA 1.646 197 residues pruned to eliminate duplicates Z: 68 50.538 2.270 0.713 0.531 0.970 0.746 CA 1.588 68 residues pruned to eliminate duplicates Z: 101 59.259 2.250 0.785 0.509 0.900 0.650 CA 1.624 101 residues pruned to eliminate duplicates Z: 70 48.975 2.221 0.756 0.506 0.957 0.681 CA 1.571 69 residues pruned to eliminate duplicates Z: 13 30.076 2.352 0.898 0.731 1.000 0.917 CA 1.580 13 residues pruned to eliminate duplicates Z: 66 46.900 2.228 0.629 0.527 0.985 0.615 CA 1.585 69 residues pruned to eliminate duplicates Z: 8 5.631 1.972 0.593 0.476 0.857 0.714 CA 0.810 Z: 8 9.400 1.780 0.965 0.560 0.714 0.286 CB 1.342 16 residues pruned to eliminate duplicates Z: 66 48.062 2.271 0.706 0.521 0.938 0.723 CA 1.606 66 residues pruned to eliminate duplicates Z: 69 44.900 2.242 0.671 0.493 0.926 0.676 CA 1.580 69 residues pruned to eliminate duplicates Z: 68 46.827 2.235 0.683 0.507 0.940 0.567 CB 1.606 68 residues pruned to eliminate duplicates Z: 66 43.536 2.228 0.675 0.499 0.923 0.585 CA 1.570 66 residues pruned to eliminate duplicates Z: 39 46.732 2.357 1.021 0.590 0.921 0.658 CA 1.584 39 residues pruned to eliminate duplicates Z: 6 2.417 1.480 0.355 0.173 1.000 0.400 CA 0.801 6 residues pruned to eliminate duplicates Z: 67 50.268 2.276 0.662 0.532 0.970 0.712 CA 1.635 67 residues pruned to eliminate duplicates Z: 62 52.363 2.307 0.707 0.555 0.967 0.705 CB 1.669 62 residues pruned to eliminate duplicates Z: 66 49.754 2.246 0.784 0.524 0.938 0.631 CA 1.603 66 residues pruned to eliminate duplicates Z: 68 48.987 2.282 0.677 0.525 0.940 0.716 CA 1.622 68 residues pruned to eliminate duplicates Z: 192 101.950 2.303 0.852 0.605 0.932 0.623 CA 1.680 66 residues pruned to eliminate duplicates Z: 13 30.088 2.297 0.799 0.903 1.000 0.917 CA 1.498 Z: 13 24.383 2.173 0.687 0.852 0.917 0.667 CA 1.549 13 residues pruned to eliminate duplicates Z: 173 97.792 2.300 0.903 0.608 0.924 0.663 CA 1.663 186 residues pruned to eliminate duplicates Z: 66 53.190 2.278 0.765 0.551 0.969 0.708 CB 1.611 66 residues pruned to eliminate duplicates Z: 67 48.159 2.246 0.763 0.525 0.955 0.682 CB 1.531 67 residues pruned to eliminate duplicates Z: 94 62.416 2.264 0.796 0.535 0.935 0.581 CB 1.644 94 residues pruned to eliminate duplicates Z: 69 52.846 2.252 0.790 0.519 0.971 0.662 CB 1.607 69 residues pruned to eliminate duplicates Z: 103 58.763 2.228 0.822 0.499 0.902 0.608 CA 1.590 103 residues pruned to eliminate duplicates Z: 67 51.531 2.283 0.745 0.520 0.939 0.591 CA 1.663 67 residues pruned to eliminate duplicates Z: 63 58.131 2.299 0.842 0.574 0.984 0.694 CA 1.650 63 residues pruned to eliminate duplicates Z: 194 98.265 2.282 0.892 0.593 0.912 0.575 CA 1.643 194 residues pruned to eliminate duplicates Z: 195 97.508 2.285 0.847 0.603 0.907 0.603 CB 1.658 195 residues pruned to eliminate duplicates Z: 66 51.901 2.263 0.738 0.532 0.985 0.692 CB 1.612 66 residues pruned to eliminate duplicates Z: 70 54.393 2.255 0.820 0.510 0.957 0.667 CA 1.651 70 residues pruned to eliminate duplicates Z: 86 50.485 2.252 0.764 0.468 0.882 0.635 CA 1.613 86 residues pruned to eliminate duplicates Z: 100 58.451 2.253 0.767 0.519 0.919 0.707 CB 1.576 100 residues pruned to eliminate duplicates Z: 191 106.564 2.303 0.932 0.609 0.926 0.600 CA 1.692 191 residues pruned to eliminate duplicates Z: 69 49.056 2.264 0.721 0.510 0.926 0.662 CA 1.630 69 residues pruned to eliminate duplicates Z: 34 20.003 2.076 0.483 0.438 0.848 0.545 CB 1.421 Z: 6 5.767 1.720 0.932 0.345 1.000 0.600 CB 0.919 6 residues pruned to eliminate duplicates Z: 83 53.733 2.270 0.779 0.494 0.890 0.573 CB 1.660 83 residues pruned to eliminate duplicates Z: 69 54.684 2.265 0.889 0.521 0.926 0.750 CB 1.639 69 residues pruned to eliminate duplicates Z: 101 61.788 2.256 0.848 0.520 0.920 0.570 CB 1.580 101 residues pruned to eliminate duplicates Z: 26 22.311 2.126 0.686 0.425 0.960 0.720 CB 1.402 28 residues pruned to eliminate duplicates Z: 12 17.044 2.067 0.391 0.708 1.000 1.000 CA 1.480 12 residues pruned to eliminate duplicates Z: 70 49.543 2.232 0.707 0.523 0.957 0.609 CB 1.600 102 residues pruned to eliminate duplicates Z: 96 58.279 2.246 0.826 0.527 0.874 0.589 CB 1.625 96 residues pruned to eliminate duplicates Z: 39 22.456 1.974 0.676 0.372 0.842 0.474 CB 1.499 Z: 10 18.384 2.010 0.615 0.864 1.000 0.778 CA 1.384 10 residues pruned to eliminate duplicates Z: 183 99.032 2.282 0.932 0.612 0.907 0.610 CB 1.652 183 residues pruned to eliminate duplicates Z: 55 43.372 2.246 0.828 0.470 0.926 0.704 CA 1.601 94 residues pruned to eliminate duplicates Z: 28 24.817 2.058 0.888 0.444 0.926 0.667 CA 1.407 Z: 10 22.383 2.004 0.952 0.884 1.000 0.778 CA 1.378 10 residues pruned to eliminate duplicates Z: 10 16.249 2.035 0.692 0.837 0.889 0.778 CA 1.324 10 residues pruned to eliminate duplicates Z: 129 75.400 2.245 0.797 0.681 0.922 0.656 CB 1.517 129 residues pruned to eliminate duplicates Z: 122 73.432 2.234 0.788 0.650 0.934 0.570 CB 1.557 122 residues pruned to eliminate duplicates Z: 90 70.848 2.306 0.786 0.716 0.933 0.596 CB 1.607 90 residues pruned to eliminate duplicates Z: 95 75.138 2.294 0.866 0.706 0.926 0.617 CB 1.623 95 residues pruned to eliminate duplicates Z: 128 67.704 2.177 0.804 0.612 0.898 0.638 CB 1.533 128 residues pruned to eliminate duplicates Z: 78 62.521 2.280 0.721 0.698 0.935 0.662 CA 1.621 78 residues pruned to eliminate duplicates Z: 127 75.420 2.253 0.881 0.649 0.905 0.603 CB 1.525 127 residues pruned to eliminate duplicates Z: 91 70.699 2.315 0.805 0.721 0.922 0.733 CB 1.584 91 residues pruned to eliminate duplicates Z: 89 74.610 2.305 0.767 0.745 0.977 0.705 CB 1.604 89 residues pruned to eliminate duplicates Z: 19 27.637 2.308 0.800 0.658 0.944 0.611 CB 1.435 19 residues pruned to eliminate duplicates Z: 129 82.013 2.249 0.897 0.679 0.953 0.688 CB 1.511 129 residues pruned to eliminate duplicates Z: 115 79.841 2.287 0.861 0.694 0.939 0.667 CB 1.568 115 residues pruned to eliminate duplicates Z: 74 57.295 2.206 0.848 0.646 0.932 0.575 CB 1.541 74 residues pruned to eliminate duplicates Z: 91 75.959 2.298 0.966 0.705 0.933 0.678 CB 1.576 91 residues pruned to eliminate duplicates Z: 104 74.342 2.264 0.900 0.706 0.932 0.641 CB 1.515 104 residues pruned to eliminate duplicates Z: 96 78.963 2.308 0.954 0.716 0.937 0.674 CB 1.577 96 residues pruned to eliminate duplicates Z: 106 71.158 2.269 0.819 0.678 0.924 0.638 CB 1.545 106 residues pruned to eliminate duplicates Z: 144 76.572 2.217 0.828 0.646 0.902 0.678 CB 1.528 144 residues pruned to eliminate duplicates Z: 36 40.214 2.253 0.996 0.654 0.914 0.600 CB 1.433 36 residues pruned to eliminate duplicates Z: 77 67.740 2.291 0.874 0.705 0.934 0.553 CB 1.607 77 residues pruned to eliminate duplicates Z: 99 73.489 2.307 0.886 0.705 0.908 0.612 CB 1.559 99 residues pruned to eliminate duplicates Z: 33 55.533 2.340 1.244 0.733 0.969 0.500 CB 1.566 33 residues pruned to eliminate duplicates Z: 131 78.492 2.252 0.896 0.650 0.931 0.531 CB 1.506 131 residues pruned to eliminate duplicates Z: 88 76.016 2.328 0.877 0.721 0.943 0.678 CB 1.621 88 residues pruned to eliminate duplicates Z: 131 76.763 2.255 0.842 0.644 0.923 0.577 CB 1.535 131 residues pruned to eliminate duplicates Z: 90 75.611 2.296 0.839 0.731 0.955 0.629 CB 1.616 90 residues pruned to eliminate duplicates Z: 133 77.465 2.229 0.893 0.641 0.917 0.598 CB 1.527 133 residues pruned to eliminate duplicates Z: 126 78.589 2.263 0.876 0.679 0.920 0.616 CB 1.526 126 residues pruned to eliminate duplicates Z: 133 75.340 2.236 0.825 0.637 0.932 0.621 CB 1.518 133 residues pruned to eliminate duplicates Z: 130 70.458 2.189 0.816 0.614 0.930 0.667 CB 1.506 130 residues pruned to eliminate duplicates Z: 99 73.698 2.293 0.861 0.709 0.918 0.622 CB 1.572 99 residues pruned to eliminate duplicates Z: 111 79.712 2.294 0.869 0.701 0.945 0.636 CB 1.561 111 residues pruned to eliminate duplicates Z: 128 76.834 2.247 0.794 0.681 0.929 0.677 CB 1.542 128 residues pruned to eliminate duplicates Z: 92 73.909 2.301 0.901 0.693 0.923 0.604 CB 1.607 92 residues pruned to eliminate duplicates Z: 109 82.405 2.322 0.885 0.716 0.935 0.593 CB 1.593 109 residues pruned to eliminate duplicates Z: 113 71.764 2.271 0.784 0.699 0.911 0.679 CB 1.533 113 residues pruned to eliminate duplicates Z: 111 67.638 2.243 0.770 0.652 0.927 0.618 CB 1.520 111 residues pruned to eliminate duplicates Z: 95 62.719 2.241 0.801 0.643 0.904 0.660 CB 1.550 95 residues pruned to eliminate duplicates Z: 165 73.976 2.186 0.836 0.620 0.884 0.537 CB 1.453 165 residues pruned to eliminate duplicates Z: 129 78.852 2.254 0.889 0.661 0.906 0.609 CB 1.555 129 residues pruned to eliminate duplicates Z: 128 78.412 2.263 0.914 0.658 0.921 0.528 CB 1.505 128 residues pruned to eliminate duplicates Z: 91 74.090 2.294 0.933 0.707 0.922 0.678 CB 1.582 91 residues pruned to eliminate duplicates Z: 121 80.683 2.273 0.924 0.679 0.917 0.633 CB 1.558 121 residues pruned to eliminate duplicates Z: 127 80.946 2.261 0.883 0.675 0.913 0.627 CB 1.580 129 residues pruned to eliminate duplicates Z: 14 35.521 2.302 0.990 0.899 1.000 0.846 CA 1.537 14 residues pruned to eliminate duplicates Z: 94 67.246 2.240 0.857 0.657 0.935 0.688 CB 1.550 94 residues pruned to eliminate duplicates Z: 103 78.001 2.291 0.942 0.674 0.931 0.588 CB 1.587 103 residues pruned to eliminate duplicates Z: 96 73.538 2.298 0.882 0.693 0.916 0.642 CB 1.597 96 residues pruned to eliminate duplicates Z: 132 77.871 2.246 0.925 0.661 0.908 0.611 CB 1.492 132 residues pruned to eliminate duplicates Z: 128 80.221 2.281 0.925 0.667 0.921 0.575 CB 1.507 128 residues pruned to eliminate duplicates Z: 89 82.853 2.323 0.992 0.724 0.966 0.625 CB 1.613 89 residues pruned to eliminate duplicates Z: 109 63.617 2.183 0.833 0.637 0.898 0.620 CB 1.499 109 residues pruned to eliminate duplicates Z: 30 44.576 2.323 0.793 0.747 0.966 0.517 CA 1.650 30 residues pruned to eliminate duplicates Z: 104 64.547 2.214 0.781 0.668 0.913 0.621 CB 1.513 104 residues pruned to eliminate duplicates Z: 128 75.011 2.259 0.880 0.642 0.890 0.559 CB 1.543 128 residues pruned to eliminate duplicates Z: 103 79.497 2.286 0.945 0.682 0.951 0.569 CB 1.576 102 residues pruned to eliminate duplicates Z: 23 31.060 2.096 0.698 0.868 0.909 0.591 CA 1.496 23 residues pruned to eliminate duplicates Z: 91 77.347 2.296 0.891 0.721 0.933 0.678 CB 1.648 91 residues pruned to eliminate duplicates Z: 134 71.624 2.218 0.903 0.638 0.895 0.541 CB 1.445 134 residues pruned to eliminate duplicates Z: 113 78.123 2.300 0.918 0.685 0.911 0.661 CB 1.550 113 residues pruned to eliminate duplicates Z: 110 84.287 2.308 0.958 0.713 0.945 0.615 CB 1.559 110 residues pruned to eliminate duplicates Z: 127 81.360 2.252 0.939 0.664 0.944 0.571 CB 1.511 127 residues pruned to eliminate duplicates Z: 93 63.378 2.250 0.884 0.643 0.891 0.630 CB 1.530 93 residues pruned to eliminate duplicates Z: 78 51.104 2.210 0.755 0.625 0.870 0.532 CB 1.534 78 residues pruned to eliminate duplicates Z: 74 65.944 2.315 0.878 0.696 0.918 0.630 CB 1.618 74 residues pruned to eliminate duplicates Z: 129 78.440 2.257 0.940 0.648 0.906 0.578 CB 1.522 129 residues pruned to eliminate duplicates Z: 123 79.775 2.278 0.869 0.673 0.910 0.623 CB 1.589 123 residues pruned to eliminate duplicates Z: 113 75.361 2.284 0.943 0.667 0.911 0.562 CB 1.510 113 residues pruned to eliminate duplicates Z: 63 66.557 2.310 0.917 0.710 0.968 0.565 CB 1.631 63 residues pruned to eliminate duplicates Z: 132 78.822 2.246 0.950 0.628 0.931 0.573 CB 1.497 132 residues pruned to eliminate duplicates Z: 58 52.091 2.266 0.747 0.707 0.912 0.526 CA 1.583 58 residues pruned to eliminate duplicates Z: 91 84.221 2.327 1.064 0.705 0.944 0.633 CB 1.625 91 residues pruned to eliminate duplicates Z: 112 70.361 2.242 0.885 0.652 0.919 0.387 CB 1.493 112 residues pruned to eliminate duplicates Z: 95 59.125 2.216 0.801 0.616 0.883 0.553 CB 1.550 95 residues pruned to eliminate duplicates Z: 100 72.224 2.285 0.923 0.667 0.919 0.556 CB 1.540 100 residues pruned to eliminate duplicates Z: 45 43.707 2.218 0.792 0.674 0.864 0.500 CB 1.635 45 residues pruned to eliminate duplicates Z: 118 75.285 2.243 0.933 0.636 0.932 0.564 CB 1.516 118 residues pruned to eliminate duplicates Z: 96 80.663 2.248 0.969 0.701 0.968 0.611 CB 1.607 96 residues pruned to eliminate duplicates Z: 103 74.356 2.268 0.994 0.651 0.931 0.549 CB 1.517 104 residues pruned to eliminate duplicates Z: 13 33.903 2.096 1.007 0.910 1.000 0.833 CB 1.650 13 residues pruned to eliminate duplicates Z: 95 75.270 2.269 0.991 0.703 0.915 0.532 CB 1.561 95 residues pruned to eliminate duplicates Z: 116 81.208 2.291 0.942 0.681 0.930 0.574 CB 1.549 116 residues pruned to eliminate duplicates Z: 124 69.810 2.213 0.953 0.609 0.894 0.569 CB 1.468 124 residues pruned to eliminate duplicates Z: 31 28.463 2.138 0.813 0.538 0.967 0.467 CB 1.336 31 residues pruned to eliminate duplicates Z: 14 25.801 2.190 1.137 0.789 0.923 0.308 CB 1.286 14 residues pruned to eliminate duplicates Z: 117 62.597 2.152 0.754 0.643 0.897 0.526 CB 1.504 117 residues pruned to eliminate duplicates Z: 105 59.404 2.188 0.753 0.653 0.885 0.529 CB 1.489 105 residues pruned to eliminate duplicates Z: 106 78.442 2.294 0.928 0.693 0.943 0.552 CB 1.539 106 residues pruned to eliminate duplicates Z: 129 79.428 2.254 0.941 0.661 0.906 0.570 CB 1.526 129 residues pruned to eliminate duplicates Z: 112 82.939 2.309 0.986 0.696 0.928 0.586 CB 1.548 112 residues pruned to eliminate duplicates Z: 128 79.389 2.222 0.949 0.640 0.929 0.520 CB 1.537 128 residues pruned to eliminate duplicates Z: 7 3.721 1.477 0.764 0.296 0.833 0.167 CB 0.880 7 residues pruned to eliminate duplicates Z: 25 29.534 2.172 0.936 0.604 0.958 0.417 CB 1.356 25 residues pruned to eliminate duplicates Z: 27 29.932 2.198 0.913 0.583 0.885 0.692 CB 1.457 27 residues pruned to eliminate duplicates Z: 104 72.327 2.234 0.848 0.667 0.951 0.563 CB 1.555 104 residues pruned to eliminate duplicates Z: 96 54.314 2.188 0.855 0.592 0.863 0.537 CB 1.457 96 residues pruned to eliminate duplicates Z: 36 39.188 2.236 0.915 0.676 0.914 0.571 CB 1.438 36 residues pruned to eliminate duplicates Z: 23 26.946 2.274 0.698 0.627 0.909 0.545 CB 1.453 23 residues pruned to eliminate duplicates Z: 24 19.071 2.072 0.888 0.513 0.783 0.435 CB 1.282 24 residues pruned to eliminate duplicates Z: 36 30.571 2.187 0.922 0.648 0.857 0.343 CB 1.249 36 residues pruned to eliminate duplicates Z: 41 27.456 2.049 0.903 0.492 0.875 0.475 CB 1.283 41 residues pruned to eliminate duplicates Z: 39 35.710 2.207 0.912 0.654 0.921 0.447 CB 1.291 39 residues pruned to eliminate duplicates Z: 40 31.183 2.100 0.988 0.536 0.923 0.513 CB 1.251 40 residues pruned to eliminate duplicates Z: 39 28.506 2.105 0.921 0.536 0.842 0.579 CB 1.310 39 residues pruned to eliminate duplicates Z: 24 19.577 2.052 0.990 0.505 0.783 0.435 CB 1.271 24 residues pruned to eliminate duplicates Z: 124 73.258 2.239 0.884 0.664 0.894 0.488 CB 1.504 124 residues pruned to eliminate duplicates Z: 39 28.423 2.158 0.862 0.555 0.816 0.553 CB 1.333 39 residues pruned to eliminate duplicates Z: 19 17.795 1.901 0.858 0.467 0.833 0.444 CB 1.474 19 residues pruned to eliminate duplicates Z: 20 15.580 1.900 0.711 0.463 0.789 0.474 CA 1.446 20 residues pruned to eliminate duplicates Z: 52 32.667 2.052 0.791 0.578 0.863 0.431 CB 1.339 52 residues pruned to eliminate duplicates Z: 16 11.231 2.008 0.548 0.321 0.733 0.400 CB 1.550 16 residues pruned to eliminate duplicates Z: 34 22.188 2.047 0.888 0.461 0.758 0.364 CB 1.373 34 residues pruned to eliminate duplicates Z: 16 13.496 2.032 0.520 0.399 0.933 0.400 CB 1.345 16 residues pruned to eliminate duplicates Z: 130 78.832 2.254 0.915 0.662 0.938 0.473 CB 1.476 130 residues pruned to eliminate duplicates Z: 34 15.136 1.987 0.644 0.316 0.788 0.273 CB 1.255 34 residues pruned to eliminate duplicates Z: 31 18.523 2.118 0.610 0.530 0.767 0.533 CB 1.256 31 residues pruned to eliminate duplicates Z: 9 6.208 2.025 0.308 0.282 0.750 0.500 CB 1.414 9 residues pruned to eliminate duplicates Z: 18 11.275 1.889 0.461 0.467 0.824 0.412 CB 1.244 18 residues pruned to eliminate duplicates Z: 18 8.335 1.915 0.481 0.349 0.647 0.235 CB 1.297 18 residues pruned to eliminate duplicates Z: 81 46.067 2.182 0.836 0.589 0.863 0.488 CB 1.368 81 residues pruned to eliminate duplicates Z: 8 4.938 1.719 0.359 0.427 0.857 0.143 CB 1.006 8 residues pruned to eliminate duplicates Z: 20 10.379 1.854 0.452 0.491 0.684 0.316 CB 1.304 20 residues pruned to eliminate duplicates Z: 34 19.138 1.907 0.665 0.482 0.848 0.545 CB 1.259 34 residues pruned to eliminate duplicates Z: 62 32.186 2.043 0.649 0.536 0.803 0.557 CB 1.469 62 residues pruned to eliminate duplicates Z: 20 10.775 1.918 0.388 0.605 0.789 0.421 CB 1.064 20 residues pruned to eliminate duplicates Z: 18 10.104 1.879 0.464 0.538 0.765 0.353 CB 1.122 18 residues pruned to eliminate duplicates Z: 37 20.298 1.921 0.506 0.519 0.861 0.611 CB 1.333 37 residues pruned to eliminate duplicates Z: 16 10.451 1.885 0.396 0.568 0.733 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 19 8.861 1.751 0.368 0.526 0.722 0.556 CB 1.177 19 residues pruned to eliminate duplicates Z: 69 23.362 1.873 0.518 0.441 0.882 0.529 CB 1.199 69 residues pruned to eliminate duplicates Z: 19 11.043 1.914 0.428 0.515 0.833 0.278 CB 1.126 19 residues pruned to eliminate duplicates Z: 19 10.319 1.863 0.422 0.558 0.778 0.389 CB 1.115 19 residues pruned to eliminate duplicates Z: 18 9.476 1.848 0.295 0.511 0.824 0.529 CB 1.154 18 residues pruned to eliminate duplicates Z: 17 10.873 1.874 0.399 0.522 0.812 0.500 CB 1.249 17 residues pruned to eliminate duplicates Z: 144 80.823 2.209 0.901 0.665 0.923 0.559 CB 1.497 144 residues pruned to eliminate duplicates Z: 19 9.804 1.939 0.359 0.504 0.778 0.556 CB 1.123 19 residues pruned to eliminate duplicates Z: 19 10.284 1.892 0.405 0.534 0.778 0.278 CB 1.133 19 residues pruned to eliminate duplicates Z: 36 22.072 1.960 0.592 0.572 0.829 0.543 CB 1.346 36 residues pruned to eliminate duplicates Z: 20 15.631 2.053 0.424 0.542 0.842 0.526 CA 1.399 20 residues pruned to eliminate duplicates Z: 40 19.017 1.948 0.569 0.504 0.795 0.462 CB 1.247 40 residues pruned to eliminate duplicates Z: 63 31.275 1.981 0.618 0.525 0.903 0.613 CB 1.338 64 residues pruned to eliminate duplicates Z: 7 6.333 1.614 0.887 0.478 1.000 0.667 CA 0.867 7 residues pruned to eliminate duplicates Z: 21 18.990 1.997 0.692 0.590 0.850 0.650 CA 1.357 21 residues pruned to eliminate duplicates Z: 19 20.988 2.060 0.751 0.635 0.889 0.667 CA 1.360 19 residues pruned to eliminate duplicates Z: 65 29.817 1.958 0.644 0.509 0.812 0.594 CA 1.412 65 residues pruned to eliminate duplicates Z: 24 23.303 2.035 0.659 0.571 0.957 0.652 CA 1.404 24 residues pruned to eliminate duplicates Z: 37 21.774 1.983 0.521 0.453 0.917 0.556 CB 1.377 37 residues pruned to eliminate duplicates Z: 19 22.644 2.096 0.705 0.654 0.944 0.722 CA 1.370 19 residues pruned to eliminate duplicates Z: 19 18.426 2.018 0.640 0.595 0.944 0.667 CB 1.270 19 residues pruned to eliminate duplicates Z: 36 24.223 1.943 0.696 0.573 0.857 0.571 CB 1.351 36 residues pruned to eliminate duplicates Z: 42 25.661 1.975 0.696 0.577 0.829 0.561 CB 1.340 42 residues pruned to eliminate duplicates Z: 68 25.022 1.960 0.557 0.478 0.806 0.507 CB 1.271 68 residues pruned to eliminate duplicates Z: 47 24.641 2.002 0.578 0.460 0.913 0.478 CB 1.311 47 residues pruned to eliminate duplicates Z: 19 23.264 2.101 0.849 0.610 0.889 0.389 CA 1.430 19 residues pruned to eliminate duplicates Z: 47 25.872 2.014 0.529 0.487 0.935 0.522 CB 1.343 47 residues pruned to eliminate duplicates Z: 46 24.377 1.972 0.567 0.490 0.956 0.644 CB 1.242 46 residues pruned to eliminate duplicates Z: 46 26.961 2.024 0.613 0.499 0.933 0.600 CB 1.320 46 residues pruned to eliminate duplicates Z: 54 21.065 1.955 0.424 0.475 0.830 0.547 CB 1.284 54 residues pruned to eliminate duplicates Z: 30 16.522 1.970 0.462 0.398 0.897 0.552 CB 1.322 30 residues pruned to eliminate duplicates Z: 54 24.657 1.909 0.572 0.429 0.887 0.566 CB 1.370 54 residues pruned to eliminate duplicates Z: 65 24.085 1.961 0.477 0.482 0.844 0.484 CB 1.255 65 residues pruned to eliminate duplicates Z: 48 24.360 2.020 0.598 0.491 0.851 0.489 CB 1.305 47 residues pruned to eliminate duplicates Z: 6 6.551 1.883 0.681 0.332 1.000 0.400 CA 1.112 6 residues pruned to eliminate duplicates Z: 27 21.663 1.940 0.616 0.449 1.000 0.654 CB 1.427 28 residues pruned to eliminate duplicates Z: 6 5.907 1.732 0.597 0.374 1.000 0.400 CB 1.093 6 residues pruned to eliminate duplicates Z: 9 9.319 1.922 0.581 0.387 0.875 0.750 CB 1.397 9 residues pruned to eliminate duplicates Z: 30 16.090 1.934 0.475 0.421 0.897 0.517 CB 1.268 30 residues pruned to eliminate duplicates Z: 47 24.376 1.987 0.553 0.495 0.913 0.543 CB 1.282 47 residues pruned to eliminate duplicates Z: 21 13.514 1.954 0.477 0.440 0.900 0.400 CB 1.237 21 residues pruned to eliminate duplicates Z: 81 26.993 1.937 0.592 0.453 0.825 0.425 CB 1.246 81 residues pruned to eliminate duplicates Z: 47 23.242 1.996 0.638 0.431 0.848 0.478 CB 1.328 47 residues pruned to eliminate duplicates Z: 62 24.953 1.942 0.564 0.464 0.852 0.492 CB 1.280 62 residues pruned to eliminate duplicates Z: 46 24.452 2.010 0.544 0.493 0.889 0.689 CB 1.331 46 residues pruned to eliminate duplicates Z: 22 12.974 1.990 0.357 0.420 0.857 0.619 CB 1.328 22 residues pruned to eliminate duplicates Z: 49 22.706 1.991 0.579 0.465 0.833 0.583 CB 1.295 49 residues pruned to eliminate duplicates Z: 31 11.828 1.829 0.458 0.342 0.800 0.433 CB 1.202 31 residues pruned to eliminate duplicates Z: 46 21.943 1.994 0.543 0.491 0.844 0.556 CB 1.270 46 residues pruned to eliminate duplicates Z: 46 20.346 1.980 0.473 0.393 0.867 0.422 CB 1.344 46 residues pruned to eliminate duplicates Z: 28 14.457 1.950 0.554 0.374 0.852 0.630 CB 1.233 28 residues pruned to eliminate duplicates Z: 51 21.985 1.974 0.634 0.449 0.800 0.460 CB 1.269 51 residues pruned to eliminate duplicates Z: 44 21.116 1.988 0.623 0.393 0.837 0.419 CB 1.335 44 residues pruned to eliminate duplicates Z: 26 16.593 1.978 0.493 0.443 0.880 0.480 CB 1.355 26 residues pruned to eliminate duplicates Z: 26 16.236 1.975 0.430 0.407 0.920 0.600 CB 1.378 25 residues pruned to eliminate duplicates Z: 9 10.960 2.019 0.339 0.778 0.750 0.000 CB 1.495 9 residues pruned to eliminate duplicates Z: 10 11.132 1.949 0.256 0.755 0.889 0.444 CA 1.359 10 residues pruned to eliminate duplicates Z: 7 3.684 1.828 0.090 0.362 0.833 0.500 CB 1.050 7 residues pruned to eliminate duplicates Z: 11 3.655 1.740 0.415 0.150 0.600 0.200 CB 1.204 Z: 6 2.704 1.387 0.507 0.448 0.600 0.400 O 1.017 Z: 7 2.467 1.408 0.822 0.267 0.500 0.167 CA 1.023 15 residues pruned to eliminate duplicates Z: 9 4.299 1.483 0.707 0.353 0.625 0.375 N 1.125 18 residues pruned to eliminate duplicates Z: 29 19.147 1.834 0.625 0.580 0.857 0.536 CB 1.311 29 residues pruned to eliminate duplicates Z: 29 16.856 1.798 0.648 0.572 0.857 0.500 CB 1.169 29 residues pruned to eliminate duplicates Z: 39 14.785 1.755 0.433 0.550 0.816 0.474 CB 1.114 39 residues pruned to eliminate duplicates Z: 30 21.279 1.873 0.566 0.630 0.862 0.517 CB 1.383 30 residues pruned to eliminate duplicates Z: 32 20.832 1.874 0.567 0.660 0.871 0.548 CB 1.261 32 residues pruned to eliminate duplicates Z: 28 20.031 1.853 0.688 0.606 0.889 0.630 CB 1.254 26 residues pruned to eliminate duplicates Z: 15 22.835 1.965 0.782 0.924 1.000 0.714 CB 1.224 15 residues pruned to eliminate duplicates Z: 34 22.349 1.864 0.642 0.593 0.909 0.485 CB 1.279 32 residues pruned to eliminate duplicates Z: 16 18.340 1.858 0.834 0.824 0.933 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 30 17.541 1.777 0.523 0.631 0.862 0.448 CB 1.235 30 residues pruned to eliminate duplicates Z: 32 20.514 1.838 0.447 0.602 0.968 0.516 CB 1.299 32 residues pruned to eliminate duplicates Z: 26 18.895 1.852 0.648 0.674 0.880 0.440 CB 1.198 26 residues pruned to eliminate duplicates Z: 32 19.909 1.868 0.643 0.595 0.871 0.484 CB 1.222 32 residues pruned to eliminate duplicates Z: 30 25.023 1.906 0.618 0.625 0.966 0.517 CB 1.388 37 residues pruned to eliminate duplicates Z: 16 21.577 1.963 0.734 0.870 0.933 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 30 18.001 1.774 0.637 0.559 0.931 0.483 CB 1.167 30 residues pruned to eliminate duplicates Z: 32 20.559 1.875 0.540 0.582 0.903 0.613 CB 1.309 32 residues pruned to eliminate duplicates Z: 28 18.142 1.835 0.689 0.619 0.852 0.481 CB 1.182 28 residues pruned to eliminate duplicates Z: 27 24.751 1.909 0.740 0.644 0.962 0.385 CB 1.329 27 residues pruned to eliminate duplicates Z: 25 22.064 1.937 0.624 0.660 1.000 0.625 CB 1.234 25 residues pruned to eliminate duplicates Z: 74 34.751 1.868 0.579 0.630 0.890 0.534 CB 1.371 76 residues pruned to eliminate duplicates Z: 7 5.396 1.700 0.185 0.796 0.833 0.667 CB 1.013 7 residues pruned to eliminate duplicates Z: 47 24.980 1.877 0.514 0.639 0.891 0.565 CB 1.276 47 residues pruned to eliminate duplicates Z: 77 31.092 1.842 0.516 0.652 0.895 0.566 CB 1.239 77 residues pruned to eliminate duplicates Z: 20 10.840 1.733 0.422 0.565 0.842 0.421 CB 1.126 20 residues pruned to eliminate duplicates Z: 46 23.290 1.851 0.365 0.658 0.956 0.556 CB 1.242 39 residues pruned to eliminate duplicates Z: 6 8.075 1.718 0.515 0.861 1.000 0.000 CB 1.020 6 residues pruned to eliminate duplicates Z: 34 24.177 1.930 0.520 0.696 0.909 0.485 CB 1.320 34 residues pruned to eliminate duplicates Z: 33 24.431 1.996 0.453 0.695 0.875 0.531 CB 1.424 33 residues pruned to eliminate duplicates Z: 90 33.688 1.935 0.476 0.591 0.888 0.618 CB 1.291 102 residues pruned to eliminate duplicates Z: 12 14.715 1.891 0.265 0.861 1.000 0.636 CB 1.362 12 residues pruned to eliminate duplicates Z: 39 20.372 1.951 0.384 0.635 0.868 0.632 CB 1.241 39 residues pruned to eliminate duplicates Z: 51 20.952 1.844 0.401 0.631 0.920 0.500 CB 1.102 51 residues pruned to eliminate duplicates Z: 39 26.205 1.928 0.596 0.683 0.895 0.684 CB 1.305 39 residues pruned to eliminate duplicates Z: 42 25.927 1.903 0.443 0.693 0.927 0.585 CB 1.333 42 residues pruned to eliminate duplicates Z: 14 17.438 1.991 0.442 0.766 1.000 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 39 23.554 1.949 0.485 0.675 0.842 0.605 CB 1.334 39 residues pruned to eliminate duplicates Z: 72 34.610 1.897 0.617 0.661 0.930 0.563 CB 1.241 72 residues pruned to eliminate duplicates Z: 39 24.829 1.938 0.450 0.665 0.947 0.658 CB 1.299 39 residues pruned to eliminate duplicates Z: 96 33.223 1.907 0.501 0.567 0.884 0.495 CB 1.262 96 residues pruned to eliminate duplicates Z: 34 24.464 1.981 0.474 0.729 0.909 0.727 CB 1.305 34 residues pruned to eliminate duplicates Z: 39 24.504 1.946 0.548 0.687 0.868 0.421 CB 1.280 39 residues pruned to eliminate duplicates Z: 43 23.481 1.878 0.583 0.601 0.905 0.452 CB 1.224 43 residues pruned to eliminate duplicates Z: 96 36.494 1.933 0.583 0.595 0.884 0.579 CB 1.264 96 residues pruned to eliminate duplicates Z: 78 33.106 1.924 0.579 0.577 0.870 0.571 CB 1.326 78 residues pruned to eliminate duplicates Z: 20 19.991 1.931 0.609 0.690 0.947 0.526 CB 1.309 20 residues pruned to eliminate duplicates Z: 20 20.720 1.931 0.727 0.662 0.895 0.579 CB 1.371 20 residues pruned to eliminate duplicates Z: 34 28.090 1.992 0.660 0.693 0.909 0.515 CB 1.363 34 residues pruned to eliminate duplicates Z: 30 24.699 1.896 0.825 0.672 0.862 0.517 CB 1.312 30 residues pruned to eliminate duplicates Z: 48 22.561 1.886 0.486 0.622 0.851 0.426 CB 1.229 48 residues pruned to eliminate duplicates Z: 33 25.212 1.995 0.569 0.698 0.875 0.594 CB 1.359 33 residues pruned to eliminate duplicates Z: 41 25.990 1.920 0.590 0.631 0.900 0.550 CB 1.322 41 residues pruned to eliminate duplicates Z: 38 29.075 1.916 0.805 0.697 0.919 0.568 CB 1.257 38 residues pruned to eliminate duplicates Z: 20 23.553 1.948 0.792 0.704 0.947 0.737 CB 1.357 20 residues pruned to eliminate duplicates Z: 21 24.222 1.940 0.755 0.658 1.000 0.650 CA 1.373 21 residues pruned to eliminate duplicates Z: 33 29.552 1.995 0.650 0.715 0.938 0.562 CB 1.394 33 residues pruned to eliminate duplicates Z: 60 30.237 1.936 0.514 0.614 0.949 0.627 CB 1.270 60 residues pruned to eliminate duplicates Z: 92 38.592 1.962 0.613 0.583 0.923 0.462 CB 1.279 92 residues pruned to eliminate duplicates Z: 30 21.529 1.942 0.515 0.632 0.862 0.690 CB 1.392 30 residues pruned to eliminate duplicates Z: 40 20.762 1.873 0.444 0.578 0.974 0.641 CB 1.170 40 residues pruned to eliminate duplicates Z: 60 23.278 1.920 0.516 0.512 0.847 0.559 CB 1.214 60 residues pruned to eliminate duplicates Z: 58 27.013 1.967 0.530 0.523 0.930 0.526 CB 1.250 58 residues pruned to eliminate duplicates Z: 32 13.117 1.866 0.575 0.413 0.774 0.452 CB 1.134 32 residues pruned to eliminate duplicates Z: 31 12.554 1.833 0.401 0.493 0.933 0.567 CB 0.963 31 residues pruned to eliminate duplicates Z: 30 12.948 1.819 0.388 0.469 0.931 0.586 CB 1.056 30 residues pruned to eliminate duplicates Z: 30 15.804 1.839 0.544 0.518 0.966 0.621 CB 1.052 30 residues pruned to eliminate duplicates Z: 22 12.044 1.838 0.393 0.461 0.905 0.571 CB 1.181 22 residues pruned to eliminate duplicates Z: 27 13.022 1.803 0.387 0.500 0.962 0.577 CB 1.062 27 residues pruned to eliminate duplicates Z: 17 9.767 1.883 0.378 0.515 0.875 0.688 CB 1.059 17 residues pruned to eliminate duplicates Z: 26 13.712 1.855 0.458 0.503 0.920 0.440 CB 1.099 26 residues pruned to eliminate duplicates Z: 20 9.654 1.768 0.301 0.488 1.000 0.526 CB 0.974 20 residues pruned to eliminate duplicates Z: 58 28.460 1.964 0.480 0.528 0.947 0.544 CB 1.331 58 residues pruned to eliminate duplicates Z: 98 37.523 1.940 0.524 0.611 0.907 0.598 CB 1.278 98 residues pruned to eliminate duplicates Z: 59 24.473 1.867 0.531 0.544 0.897 0.569 CB 1.200 59 residues pruned to eliminate duplicates Z: 24 13.429 1.803 0.517 0.635 0.913 0.565 CB 0.988 24 residues pruned to eliminate duplicates Z: 28 15.972 1.844 0.626 0.583 0.926 0.630 CB 1.022 28 residues pruned to eliminate duplicates Z: 22 15.860 1.871 0.624 0.539 0.905 0.667 CB 1.211 22 residues pruned to eliminate duplicates Z: 29 15.402 1.846 0.524 0.462 0.964 0.429 CB 1.115 29 residues pruned to eliminate duplicates Z: 28 16.157 1.834 0.605 0.545 0.926 0.667 CB 1.093 28 residues pruned to eliminate duplicates Z: 53 26.498 1.958 0.557 0.526 0.846 0.519 CB 1.389 53 residues pruned to eliminate duplicates Z: 45 23.072 1.891 0.538 0.577 0.932 0.545 CB 1.192 45 residues pruned to eliminate duplicates Z: 60 27.659 1.973 0.553 0.556 0.881 0.542 CB 1.263 60 residues pruned to eliminate duplicates Z: 62 27.903 1.958 0.606 0.523 0.885 0.525 CB 1.254 62 residues pruned to eliminate duplicates Z: 47 24.573 1.934 0.546 0.506 0.891 0.478 CB 1.351 47 residues pruned to eliminate duplicates Z: 61 22.848 1.900 0.554 0.515 0.867 0.500 CB 1.135 61 residues pruned to eliminate duplicates Z: 68 25.418 1.873 0.507 0.539 0.910 0.388 CB 1.163 68 residues pruned to eliminate duplicates Z: 37 23.225 2.002 0.662 0.528 0.806 0.556 CB 1.405 37 residues pruned to eliminate duplicates Z: 83 38.610 1.981 0.739 0.511 0.927 0.463 CB 1.320 83 residues pruned to eliminate duplicates Z: 63 28.627 1.932 0.644 0.509 0.887 0.548 CB 1.278 63 residues pruned to eliminate duplicates Z: 37 16.888 1.933 0.565 0.447 0.778 0.389 CB 1.264 37 residues pruned to eliminate duplicates Z: 16 13.189 1.802 0.819 0.628 0.733 0.467 CB 1.256 16 residues pruned to eliminate duplicates Z: 40 22.006 1.896 0.702 0.470 0.872 0.462 CB 1.291 40 residues pruned to eliminate duplicates Z: 37 23.340 1.951 0.756 0.475 0.861 0.472 CB 1.352 37 residues pruned to eliminate duplicates Z: 51 27.115 1.958 0.697 0.519 0.880 0.540 CB 1.287 51 residues pruned to eliminate duplicates Z: 44 24.065 1.873 0.763 0.439 0.907 0.558 CB 1.305 44 residues pruned to eliminate duplicates Z: 30 21.511 1.993 0.703 0.543 0.862 0.552 CB 1.309 30 residues pruned to eliminate duplicates Z: 31 23.556 2.017 0.559 0.560 0.900 0.467 CB 1.434 31 residues pruned to eliminate duplicates Z: 31 24.892 2.032 0.752 0.568 0.833 0.400 CB 1.434 31 residues pruned to eliminate duplicates Z: 35 21.494 1.989 0.637 0.519 0.824 0.353 CB 1.350 35 residues pruned to eliminate duplicates Z: 51 36.268 2.140 0.589 0.555 0.920 0.560 CB 1.554 51 residues pruned to eliminate duplicates Z: 72 42.790 2.103 0.671 0.561 0.915 0.479 CB 1.487 77 residues pruned to eliminate duplicates Z: 7 5.666 1.654 0.312 0.632 1.000 0.167 CA 0.942 7 residues pruned to eliminate duplicates Z: 61 29.365 1.937 0.713 0.545 0.900 0.467 CB 1.215 61 residues pruned to eliminate duplicates Z: 88 43.122 1.997 0.694 0.601 0.943 0.586 CB 1.317 88 residues pruned to eliminate duplicates Z: 58 29.094 1.962 0.624 0.525 0.912 0.491 CB 1.293 58 residues pruned to eliminate duplicates Z: 32 26.311 2.033 0.734 0.580 0.806 0.645 CB 1.539 32 residues pruned to eliminate duplicates Z: 31 24.667 2.022 0.922 0.569 0.767 0.533 CB 1.414 31 residues pruned to eliminate duplicates Z: 60 29.852 1.962 0.644 0.551 0.898 0.559 CB 1.277 60 residues pruned to eliminate duplicates Z: 30 21.348 1.964 0.653 0.531 0.862 0.379 CB 1.374 30 residues pruned to eliminate duplicates Z: 34 24.508 1.994 0.708 0.545 0.879 0.364 CB 1.365 34 residues pruned to eliminate duplicates Z: 23 18.817 1.935 0.667 0.431 0.909 0.455 CB 1.470 23 residues pruned to eliminate duplicates Z: 58 29.274 1.961 0.643 0.549 0.912 0.509 CB 1.258 58 residues pruned to eliminate duplicates Z: 44 29.032 2.022 0.819 0.549 0.837 0.512 CB 1.371 44 residues pruned to eliminate duplicates Z: 60 30.857 1.936 0.727 0.535 0.915 0.475 CB 1.268 60 residues pruned to eliminate duplicates Z: 61 34.080 2.081 0.638 0.514 0.900 0.517 CB 1.415 61 residues pruned to eliminate duplicates Z: 51 38.371 2.182 0.709 0.570 0.860 0.580 CB 1.580 51 residues pruned to eliminate duplicates Z: 63 41.212 2.093 0.777 0.555 0.903 0.516 CB 1.478 63 residues pruned to eliminate duplicates Z: 79 40.301 2.059 0.718 0.533 0.923 0.538 CB 1.353 79 residues pruned to eliminate duplicates Z: 39 33.297 2.132 0.629 0.609 0.947 0.632 CB 1.480 39 residues pruned to eliminate duplicates Z: 45 34.859 2.124 0.598 0.549 0.955 0.727 CB 1.545 44 residues pruned to eliminate duplicates Z: 14 26.360 2.234 0.816 0.833 0.923 0.923 CA 1.465 14 residues pruned to eliminate duplicates Z: 42 32.746 2.098 0.680 0.557 0.927 0.634 CA 1.481 42 residues pruned to eliminate duplicates Z: 47 34.298 2.072 0.646 0.540 0.935 0.652 CA 1.525 46 residues pruned to eliminate duplicates Z: 13 24.218 2.250 0.724 0.791 0.917 0.750 CA 1.523 13 residues pruned to eliminate duplicates Z: 22 34.942 2.342 0.899 0.605 0.952 0.714 CB 1.629 22 residues pruned to eliminate duplicates Z: 45 33.002 2.109 0.623 0.503 0.955 0.568 CB 1.517 45 residues pruned to eliminate duplicates Z: 43 29.958 2.098 0.497 0.542 0.929 0.667 CB 1.521 43 residues pruned to eliminate duplicates Z: 44 33.340 2.127 0.575 0.562 0.977 0.651 CB 1.463 46 residues pruned to eliminate duplicates Z: 15 27.378 2.097 0.939 0.803 1.000 0.714 CA 1.381 15 residues pruned to eliminate duplicates Z: 57 41.302 2.149 0.794 0.554 0.893 0.571 CB 1.522 57 residues pruned to eliminate duplicates Z: 46 34.429 2.118 0.612 0.542 0.978 0.644 CA 1.476 46 residues pruned to eliminate duplicates Z: 45 33.591 2.097 0.637 0.530 0.977 0.591 CB 1.466 45 residues pruned to eliminate duplicates Z: 28 28.287 2.242 0.749 0.490 0.926 0.593 CB 1.515 28 residues pruned to eliminate duplicates Z: 42 40.733 2.185 0.739 0.612 0.976 0.659 CB 1.543 43 residues pruned to eliminate duplicates Z: 8 8.889 1.726 0.815 0.645 0.714 0.571 CB 1.311 8 residues pruned to eliminate duplicates Z: 44 36.767 2.144 0.666 0.571 0.977 0.651 CB 1.502 43 residues pruned to eliminate duplicates Z: 8 11.195 2.055 0.626 0.461 1.000 0.857 CA 1.317 8 residues pruned to eliminate duplicates Z: 45 37.249 2.143 0.633 0.555 0.977 0.750 CA 1.556 45 residues pruned to eliminate duplicates Z: 29 30.314 2.220 0.654 0.515 1.000 0.750 CB 1.538 29 residues pruned to eliminate duplicates Z: 42 43.880 2.197 0.925 0.598 0.976 0.683 CB 1.513 43 residues pruned to eliminate duplicates Z: 14 14.365 1.818 0.634 0.745 0.923 0.769 CA 1.167 14 residues pruned to eliminate duplicates Z: 22 18.655 1.988 0.717 0.557 0.905 0.619 CB 1.247 22 residues pruned to eliminate duplicates Z: 45 37.789 2.142 0.801 0.539 0.955 0.568 CB 1.488 45 residues pruned to eliminate duplicates Z: 45 37.307 2.139 0.724 0.550 0.977 0.659 CB 1.487 45 residues pruned to eliminate duplicates Z: 45 39.929 2.145 0.864 0.564 0.932 0.591 CB 1.519 45 residues pruned to eliminate duplicates Z: 48 38.477 2.130 0.856 0.549 0.957 0.660 CB 1.413 47 residues pruned to eliminate duplicates Z: 12 20.986 1.982 0.529 0.893 1.000 0.364 CA 1.498 12 residues pruned to eliminate duplicates Z: 77 41.476 2.049 0.730 0.511 0.908 0.526 CB 1.463 77 residues pruned to eliminate duplicates Z: 43 39.158 2.183 0.741 0.569 1.000 0.690 CB 1.487 43 residues pruned to eliminate duplicates Z: 44 41.483 2.170 0.878 0.590 0.953 0.535 CB 1.495 44 residues pruned to eliminate duplicates Z: 12 19.997 2.018 0.547 0.897 1.000 0.727 CA 1.383 12 residues pruned to eliminate duplicates Z: 46 37.033 2.118 0.796 0.539 0.956 0.600 CB 1.461 46 residues pruned to eliminate duplicates Z: 49 38.366 2.128 0.807 0.533 0.979 0.708 CB 1.424 49 residues pruned to eliminate duplicates Z: 45 38.590 2.150 0.778 0.540 0.977 0.568 CA 1.497 45 residues pruned to eliminate duplicates Z: 19 23.742 1.977 0.931 0.624 1.000 0.333 CA 1.304 19 residues pruned to eliminate duplicates Z: 42 43.251 2.125 0.911 0.598 0.951 0.585 CB 1.592 42 residues pruned to eliminate duplicates Z: 24 15.882 1.866 0.490 0.482 0.870 0.739 CA 1.394 24 residues pruned to eliminate duplicates Z: 40 30.329 1.982 0.819 0.543 0.897 0.513 CB 1.439 40 residues pruned to eliminate duplicates Z: 10 9.021 1.657 0.396 0.729 0.889 0.444 CB 1.190 10 residues pruned to eliminate duplicates Z: 10 8.435 1.679 0.471 0.541 0.889 0.444 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 10.092 1.747 0.397 0.536 1.000 0.636 CB 1.203 12 residues pruned to eliminate duplicates Z: 9 7.817 1.801 0.348 0.639 0.875 0.750 CB 1.143 9 residues pruned to eliminate duplicates Z: 21 6.501 1.702 0.328 0.333 0.850 0.300 CB 0.908 21 residues pruned to eliminate duplicates Z: 24 10.301 1.751 0.435 0.371 0.957 0.696 CB 1.026 24 residues pruned to eliminate duplicates Z: 9 9.454 1.819 0.496 0.635 1.000 0.500 CB 1.082 9 residues pruned to eliminate duplicates Z: 11 7.897 1.769 0.356 0.517 0.900 0.500 CB 1.138 11 residues pruned to eliminate duplicates 706 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 158 D: 138 E: 28 F: 191 G: 178 CC for partial structure against native data = 38.18 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.575, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.658, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.795, Connect. = 0.780 for dens.mod. cycle 3 = 0.300, Contrast = 0.813, Connect. = 0.781 for dens.mod. cycle 4 = 0.300, Contrast = 0.829, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.836, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.841, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.843, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.844, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.844, Connect. = 0.789 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.56 - 3.61 - 3.15 - 2.86 - 2.66 - 2.50 - 2.37 - 2.27 - 2.18 - 2.11 0.747 0.776 0.739 0.721 0.713 0.693 0.665 0.635 0.622 0.597 0.855 0.898 0.871 0.862 0.848 0.819 0.781 0.744 0.723 0.692 N 7055 7114 7100 7114 6893 7201 7352 6823 7313 6553 Estimated mean FOM = 0.691 Pseudo-free CC = 71.60 % Best trace (cycle 3 with CC 41.22%) was saved as ./2go7-2.1-parrot-noncs/2go7-2.1-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 10.1 - FFTs and peak-searches 21.0 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1412.6 - Tripeptide search 24511.1 - Chain tracing 0.0 - NCS analysis 103.5 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 06:25:54 Total time: 26060.22 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 436.95 Used memory is bytes: 39856792