++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:14:23 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: ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.ins Phases from ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.phi Native data from ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.hkl Listing output to ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.lst Phases output to ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.phs Poly-Ala trace output to ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 100040 Reflections read from file ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.phi 100040 Reflections read from file ./1ztc-2.1-parrot-mrncs/1ztc-2.1-parrot-mrncs.hkl 100040 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000057h^2 -0.000028k^2 +0.000057l^2 +0.000000kl +0.000000hl +0.000000hk 368 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.722 = 0.300, Contrast = 0.480, Connect. = 0.670 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.673 for dens.mod. cycle 2 = 0.300, Contrast = 0.887, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 1.067, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 1.169, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 1.220, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 1.245, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 1.254, Connect. = 0.810 for dens.mod. cycle 8 = 0.300, Contrast = 1.255, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 1.252, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4553 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1041 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 41.994 2.395 0.950 0.870 0.867 0.733 CA 1.955 B: 17 48.402 2.334 1.069 0.867 1.000 0.812 CA 1.833 17 residues pruned to eliminate duplicates C: 17 47.635 2.380 1.043 0.864 1.000 0.688 CA 1.795 17 residues pruned to eliminate duplicates D: 12 40.340 2.344 1.318 0.910 1.000 0.909 CA 1.587 E: 17 32.638 2.068 1.026 0.820 0.938 0.875 CA 1.575 F: 13 36.217 2.134 1.656 0.842 0.917 0.500 CA 1.500 G: 13 40.386 2.244 1.436 0.846 0.917 0.750 CA 1.729 12 residues pruned to eliminate duplicates H: 12 37.815 2.347 1.255 0.905 1.000 1.000 CA 1.534 12 residues pruned to eliminate duplicates I: 17 38.860 2.254 1.306 0.861 0.938 0.562 CB 1.465 J: 16 42.451 2.416 1.002 0.882 0.933 0.867 CA 1.757 16 residues pruned to eliminate duplicates K: 12 40.821 2.387 1.429 0.893 0.909 0.909 CA 1.676 L: 13 41.865 2.339 1.287 0.922 0.917 0.667 CB 1.734 14 residues pruned to eliminate duplicates M: 16 32.647 2.236 1.120 0.876 0.867 0.800 CB 1.491 N: 12 43.229 2.342 1.389 0.927 1.000 0.818 CA 1.633 12 residues pruned to eliminate duplicates O: 17 52.083 2.374 1.104 0.861 1.000 0.812 CA 1.915 17 residues pruned to eliminate duplicates P: 13 48.868 2.286 1.508 0.930 1.000 0.583 CA 1.721 12 residues pruned to eliminate duplicates Q: 18 41.745 2.324 1.165 0.833 0.882 0.647 CA 1.711 18 residues pruned to eliminate duplicates R: 34 25.294 2.224 0.641 0.404 0.818 0.485 CB 1.631 S: 17 39.951 2.284 1.220 0.853 0.938 0.750 CB 1.553 17 residues pruned to eliminate duplicates T: 12 30.015 2.215 1.274 0.741 0.909 0.455 CA 1.592 U: 17 43.391 2.259 1.197 0.889 1.000 0.812 CB 1.574 17 residues pruned to eliminate duplicates V: 14 36.902 2.197 1.271 0.874 0.846 0.846 CB 1.764 13 residues pruned to eliminate duplicates W: 12 33.580 2.319 1.000 0.888 0.909 0.909 CB 1.729 12 residues pruned to eliminate duplicates X: 17 35.127 2.149 1.015 0.870 0.938 0.812 CA 1.579 16 residues pruned to eliminate duplicates Y: 14 33.677 2.236 0.852 0.934 1.000 1.000 CA 1.573 14 residues pruned to eliminate duplicates Z: 17 36.546 2.195 0.817 0.879 1.000 0.875 CA 1.661 Z: 18 15.889 2.075 0.721 0.281 0.941 0.588 CB 1.468 Z: 14 44.581 2.226 1.584 0.834 0.923 0.538 CB 1.745 14 residues pruned to eliminate duplicates Z: 11 6.946 2.123 0.549 0.330 0.600 0.500 CB 1.341 Z: 13 40.218 2.322 1.008 0.926 1.000 0.917 CB 1.746 13 residues pruned to eliminate duplicates Z: 21 15.661 2.036 0.839 0.430 0.800 0.550 CB 1.257 18 residues pruned to eliminate duplicates Z: 17 50.513 2.346 1.339 0.866 0.938 0.688 CA 1.798 17 residues pruned to eliminate duplicates Z: 13 39.089 2.144 1.582 0.886 0.917 0.750 CB 1.604 Z: 17 36.598 2.188 1.208 0.886 0.875 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 18 47.974 2.226 1.211 0.874 1.000 0.765 CB 1.722 18 residues pruned to eliminate duplicates Z: 17 36.217 2.176 1.075 0.895 0.938 0.750 CB 1.533 17 residues pruned to eliminate duplicates Z: 13 46.281 2.324 1.405 0.930 0.917 0.917 CA 1.823 13 residues pruned to eliminate duplicates Z: 8 15.236 1.901 1.238 0.670 0.857 0.857 CA 1.350 Z: 12 21.595 1.927 1.045 0.807 0.909 0.818 CA 1.390 Z: 13 38.412 2.318 1.311 0.857 0.917 0.833 CB 1.664 14 residues pruned to eliminate duplicates Z: 6 8.044 2.061 1.251 0.537 0.800 0.600 CB 0.935 Z: 11 27.590 2.100 0.992 0.848 1.000 0.700 CA 1.548 Z: 16 46.399 2.322 1.219 0.908 1.000 0.733 CB 1.651 17 residues pruned to eliminate duplicates Z: 17 22.249 2.264 0.755 0.384 1.000 0.750 CB 1.584 Z: 16 32.096 2.295 0.908 0.790 0.800 0.467 CA 1.834 16 residues pruned to eliminate duplicates Z: 15 36.059 2.223 1.120 0.896 0.929 0.643 CA 1.577 Z: 12 36.885 2.332 1.206 0.870 0.909 0.818 CB 1.736 12 residues pruned to eliminate duplicates Z: 15 42.147 2.383 0.989 0.829 1.000 0.857 CA 1.788 Z: 11 23.259 2.096 1.358 0.870 0.900 0.800 CB 1.207 10 residues pruned to eliminate duplicates Z: 15 34.900 2.234 1.102 0.876 0.929 0.500 CB 1.555 16 residues pruned to eliminate duplicates Z: 16 28.144 2.197 1.049 0.837 0.800 0.800 CB 1.509 16 residues pruned to eliminate duplicates Z: 7 9.947 1.715 0.876 0.625 1.000 0.833 CB 1.123 Z: 13 41.414 2.306 1.291 0.908 1.000 0.750 CB 1.608 13 residues pruned to eliminate duplicates Z: 17 30.675 2.302 0.989 0.574 0.875 0.438 CB 1.783 11 residues pruned to eliminate duplicates Z: 15 25.650 1.931 0.958 0.896 1.000 0.857 CA 1.298 15 residues pruned to eliminate duplicates Z: 14 30.199 2.163 0.894 0.873 0.846 0.769 CB 1.760 14 residues pruned to eliminate duplicates Z: 11 21.478 2.268 1.304 0.383 1.000 0.700 CB 1.472 Z: 16 37.050 2.203 1.164 0.881 0.933 0.600 CB 1.556 15 residues pruned to eliminate duplicates Z: 18 30.951 2.085 0.909 0.857 0.941 0.706 CA 1.477 18 residues pruned to eliminate duplicates Z: 17 30.962 2.345 0.565 0.855 0.875 0.875 CA 1.779 17 residues pruned to eliminate duplicates Z: 15 40.033 2.285 1.409 0.878 0.929 0.571 CB 1.519 15 residues pruned to eliminate duplicates Z: 12 45.172 2.391 1.207 0.919 1.000 0.545 CA 1.819 12 residues pruned to eliminate duplicates Z: 17 38.143 2.092 1.302 0.885 1.000 0.812 CB 1.429 16 residues pruned to eliminate duplicates Z: 17 24.773 2.196 1.017 0.488 1.000 0.562 CB 1.415 Z: 12 21.083 2.041 1.005 0.698 0.818 0.455 CA 1.586 Z: 13 22.669 2.023 0.653 0.894 1.000 0.917 CA 1.403 Z: 18 52.667 2.340 1.402 0.892 1.000 0.706 CB 1.633 18 residues pruned to eliminate duplicates Z: 22 18.201 2.174 0.729 0.365 0.905 0.524 CB 1.350 22 residues pruned to eliminate duplicates Z: 28 37.653 2.324 1.052 0.463 0.926 0.407 CB 1.704 12 residues pruned to eliminate duplicates Z: 24 42.210 2.241 1.239 0.669 0.957 0.739 CB 1.570 17 residues pruned to eliminate duplicates Z: 7 12.878 1.890 0.654 0.784 1.000 0.833 CB 1.311 Z: 17 36.863 2.145 1.474 0.884 0.938 0.562 CB 1.338 17 residues pruned to eliminate duplicates Z: 14 37.193 2.155 1.502 0.846 0.923 0.769 CB 1.539 14 residues pruned to eliminate duplicates Z: 12 22.701 2.038 0.806 0.857 1.000 0.818 CA 1.371 12 residues pruned to eliminate duplicates Z: 10 20.191 2.233 1.035 0.473 0.889 0.556 CA 1.713 7 residues pruned to eliminate duplicates Z: 12 29.268 2.128 1.139 0.931 0.909 0.909 CA 1.490 12 residues pruned to eliminate duplicates Z: 13 26.114 2.260 0.749 0.889 0.917 0.833 CA 1.498 14 residues pruned to eliminate duplicates Z: 20 33.874 2.102 1.575 0.826 0.789 0.526 CB 1.372 17 residues pruned to eliminate duplicates Z: 47 48.307 2.237 1.192 0.474 0.913 0.413 CB 1.634 35 residues pruned to eliminate duplicates Z: 9 22.532 2.099 1.363 0.709 0.750 0.375 CB 1.771 9 residues pruned to eliminate duplicates Z: 11 20.213 1.987 0.930 0.859 1.000 0.700 CB 1.227 12 residues pruned to eliminate duplicates Z: 11 26.475 2.279 0.538 0.913 1.000 0.900 CA 1.691 11 residues pruned to eliminate duplicates Z: 14 20.689 2.183 0.977 0.403 0.923 0.615 CA 1.595 14 residues pruned to eliminate duplicates Z: 14 33.966 2.417 0.708 0.867 0.923 0.769 CA 1.809 14 residues pruned to eliminate duplicates Z: 66 60.997 2.255 1.211 0.509 0.938 0.462 CB 1.603 21 residues pruned to eliminate duplicates Z: 18 40.916 2.214 0.933 0.881 1.000 0.588 CA 1.680 16 residues pruned to eliminate duplicates Z: 8 11.677 1.960 1.357 0.486 1.000 0.714 CB 0.970 Z: 14 43.272 2.227 1.547 0.924 1.000 0.769 CB 1.487 14 residues pruned to eliminate duplicates Z: 8 6.798 1.870 0.523 0.469 0.714 0.429 CB 1.304 Z: 18 31.975 2.122 0.777 0.918 0.882 0.706 CA 1.644 17 residues pruned to eliminate duplicates Z: 17 37.950 2.234 1.193 0.906 0.938 0.812 CB 1.469 20 residues pruned to eliminate duplicates Z: 16 36.745 2.245 0.993 0.809 0.933 0.667 CB 1.736 16 residues pruned to eliminate duplicates Z: 13 29.338 1.959 1.246 0.889 1.000 0.750 CB 1.386 13 residues pruned to eliminate duplicates Z: 8 17.305 2.132 1.122 0.618 0.857 0.571 CB 1.509 Z: 14 23.351 2.019 0.855 0.833 1.000 0.769 CB 1.297 Z: 39 41.775 2.254 1.126 0.558 0.895 0.421 CB 1.494 39 residues pruned to eliminate duplicates Z: 13 45.323 2.424 1.450 0.924 0.917 0.500 CA 1.688 13 residues pruned to eliminate duplicates Z: 13 17.069 2.006 0.475 0.850 0.917 0.833 CA 1.346 13 residues pruned to eliminate duplicates Z: 16 20.370 2.180 0.903 0.407 0.867 0.333 CB 1.614 8 residues pruned to eliminate duplicates Z: 20 8.490 1.859 0.668 0.340 0.737 0.474 CB 1.015 Z: 12 42.890 2.382 1.174 0.920 1.000 0.909 CA 1.758 13 residues pruned to eliminate duplicates Z: 10 30.888 2.258 1.131 0.877 0.889 0.556 CA 1.748 10 residues pruned to eliminate duplicates Z: 7 10.409 1.730 1.029 0.706 1.000 0.500 CA 1.003 7 residues pruned to eliminate duplicates Z: 12 54.898 2.395 1.531 0.922 1.000 0.636 CA 1.921 13 residues pruned to eliminate duplicates Z: 17 42.852 2.289 1.275 0.858 0.938 0.688 CB 1.616 17 residues pruned to eliminate duplicates Z: 12 26.648 2.363 0.950 0.711 0.909 0.455 CA 1.584 12 residues pruned to eliminate duplicates Z: 16 29.770 2.136 0.893 0.776 0.933 0.667 CA 1.597 16 residues pruned to eliminate duplicates Z: 16 28.821 2.134 0.892 0.907 0.933 0.867 CA 1.403 Z: 22 34.409 2.188 1.261 0.480 0.905 0.667 CB 1.711 6 residues pruned to eliminate duplicates Z: 17 17.295 2.161 0.752 0.421 0.812 0.562 CB 1.526 18 residues pruned to eliminate duplicates Z: 21 24.374 2.140 1.010 0.397 0.850 0.600 CB 1.661 21 residues pruned to eliminate duplicates Z: 17 23.947 2.121 0.672 0.779 0.812 0.750 CB 1.625 17 residues pruned to eliminate duplicates Z: 10 16.372 2.051 1.117 0.317 1.000 0.556 CB 1.538 Z: 13 23.893 1.942 0.772 0.838 0.917 0.750 CA 1.634 Z: 11 19.724 2.234 0.707 0.607 0.900 0.600 CB 1.641 11 residues pruned to eliminate duplicates Z: 14 23.349 1.888 0.755 0.866 0.923 0.692 N 1.550 14 residues pruned to eliminate duplicates Z: 8 8.969 2.110 1.284 0.652 0.429 0.429 CB 1.425 8 residues pruned to eliminate duplicates Z: 16 47.394 2.285 1.415 0.931 1.000 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 25 27.520 2.154 0.854 0.491 0.917 0.500 CB 1.549 25 residues pruned to eliminate duplicates Z: 12 39.848 2.288 1.461 0.908 0.909 0.727 CA 1.667 12 residues pruned to eliminate duplicates Z: 82 70.042 2.260 1.234 0.532 0.914 0.531 CB 1.635 47 residues pruned to eliminate duplicates Z: 16 31.286 2.243 0.710 0.848 1.000 0.867 CA 1.562 16 residues pruned to eliminate duplicates Z: 62 48.526 2.163 1.106 0.504 0.869 0.492 CB 1.564 42 residues pruned to eliminate duplicates Z: 22 29.887 2.129 1.073 0.484 0.905 0.571 CB 1.660 22 residues pruned to eliminate duplicates Z: 16 21.988 2.117 0.716 0.556 0.933 0.467 CB 1.585 12 residues pruned to eliminate duplicates Z: 17 40.893 2.252 1.068 0.875 0.938 0.688 CB 1.703 17 residues pruned to eliminate duplicates Z: 14 37.847 2.184 1.463 0.859 0.923 0.692 CB 1.555 14 residues pruned to eliminate duplicates Z: 15 35.970 2.373 1.118 0.887 0.857 0.786 CB 1.608 15 residues pruned to eliminate duplicates Z: 12 10.569 1.897 0.629 0.321 0.909 0.545 CA 1.382 Z: 12 41.993 2.413 1.094 0.925 1.000 0.909 CA 1.758 12 residues pruned to eliminate duplicates Z: 16 33.888 2.229 0.842 0.868 0.933 0.733 CB 1.669 16 residues pruned to eliminate duplicates Z: 14 36.508 2.235 1.122 0.902 1.000 0.923 CA 1.524 16 residues pruned to eliminate duplicates Z: 17 15.784 2.120 0.733 0.390 0.875 0.562 CB 1.379 17 residues pruned to eliminate duplicates Z: 12 45.244 2.332 1.682 0.906 1.000 0.636 CA 1.551 12 residues pruned to eliminate duplicates Z: 18 38.363 2.098 1.175 0.900 1.000 0.824 CB 1.456 18 residues pruned to eliminate duplicates Z: 23 31.312 2.180 1.032 0.490 0.955 0.545 CB 1.594 16 residues pruned to eliminate duplicates Z: 12 25.267 1.937 1.199 0.880 0.909 0.636 CB 1.426 12 residues pruned to eliminate duplicates Z: 18 16.478 2.070 0.755 0.476 0.882 0.588 CB 1.278 Z: 13 24.877 2.059 1.357 0.845 0.833 0.583 CB 1.320 14 residues pruned to eliminate duplicates Z: 16 15.187 1.984 0.857 0.469 0.867 0.533 CB 1.267 20 residues pruned to eliminate duplicates Z: 17 46.673 2.276 1.274 0.840 0.938 0.438 CB 1.794 17 residues pruned to eliminate duplicates Z: 15 31.959 2.192 1.059 0.898 0.929 0.857 CA 1.458 15 residues pruned to eliminate duplicates Z: 36 28.593 2.132 0.865 0.519 0.886 0.657 CB 1.348 34 residues pruned to eliminate duplicates Z: 85 60.288 2.200 1.035 0.541 0.893 0.536 CB 1.581 78 residues pruned to eliminate duplicates Z: 12 28.396 2.027 1.180 0.869 0.909 0.636 CA 1.557 14 residues pruned to eliminate duplicates Z: 13 30.149 2.033 1.165 0.878 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 12 29.182 2.155 0.922 0.885 1.000 0.909 CA 1.534 12 residues pruned to eliminate duplicates Z: 6 7.378 1.747 0.344 0.748 1.000 0.800 CA 1.126 6 residues pruned to eliminate duplicates Z: 16 41.026 2.300 1.499 0.878 0.933 0.867 CB 1.434 16 residues pruned to eliminate duplicates Z: 12 42.677 2.391 1.080 0.925 1.000 0.818 CA 1.816 12 residues pruned to eliminate duplicates Z: 20 11.877 2.118 0.868 0.205 0.737 0.316 CB 1.326 Z: 84 57.363 2.305 0.980 0.532 0.831 0.614 CB 1.608 39 residues pruned to eliminate duplicates Z: 27 31.298 2.200 0.904 0.463 0.923 0.577 CB 1.647 27 residues pruned to eliminate duplicates Z: 8 26.230 2.046 2.012 0.700 0.857 0.286 CA 1.564 8 residues pruned to eliminate duplicates Z: 14 32.858 2.201 1.075 0.884 1.000 0.615 CA 1.441 14 residues pruned to eliminate duplicates Z: 15 41.119 2.242 1.174 0.902 1.000 0.714 CA 1.608 15 residues pruned to eliminate duplicates Z: 15 38.804 2.341 0.885 0.836 1.000 0.714 CA 1.759 15 residues pruned to eliminate duplicates Z: 21 19.957 2.157 1.046 0.275 0.900 0.500 CB 1.449 21 residues pruned to eliminate duplicates Z: 10 5.150 1.924 0.431 0.176 0.778 0.556 CB 1.186 10 residues pruned to eliminate duplicates Z: 11 19.657 2.259 1.252 0.679 0.600 0.300 CA 1.727 11 residues pruned to eliminate duplicates Z: 14 22.343 1.869 0.799 0.870 1.000 0.769 CA 1.345 14 residues pruned to eliminate duplicates Z: 26 24.725 2.194 0.881 0.463 0.760 0.520 CB 1.639 26 residues pruned to eliminate duplicates Z: 17 35.391 2.208 1.148 0.879 1.000 0.812 CB 1.353 17 residues pruned to eliminate duplicates Z: 15 32.964 2.226 1.083 0.864 0.929 0.500 CB 1.501 15 residues pruned to eliminate duplicates Z: 77 57.936 2.258 1.109 0.491 0.895 0.553 CB 1.574 62 residues pruned to eliminate duplicates Z: 10 8.850 2.074 0.839 0.258 0.667 0.333 CB 1.530 10 residues pruned to eliminate duplicates Z: 12 21.517 2.225 0.895 0.573 0.909 0.364 CA 1.577 12 residues pruned to eliminate duplicates Z: 16 40.231 2.233 1.148 0.835 1.000 0.733 CA 1.622 16 residues pruned to eliminate duplicates Z: 17 46.524 2.323 1.234 0.870 0.938 0.688 CB 1.745 17 residues pruned to eliminate duplicates Z: 12 20.286 1.902 0.989 0.861 1.000 0.818 CB 1.188 12 residues pruned to eliminate duplicates Z: 8 11.143 2.168 0.695 0.417 0.857 0.857 CB 1.459 8 residues pruned to eliminate duplicates Z: 16 44.890 2.334 0.974 0.889 1.000 0.933 CB 1.811 16 residues pruned to eliminate duplicates Z: 21 20.195 2.096 1.024 0.505 0.700 0.400 CB 1.513 13 residues pruned to eliminate duplicates Z: 84 49.280 2.171 1.099 0.403 0.843 0.482 CB 1.559 84 residues pruned to eliminate duplicates Z: 13 30.171 2.118 1.174 0.856 1.000 0.667 CB 1.395 14 residues pruned to eliminate duplicates Z: 11 53.095 2.464 1.549 0.922 1.000 0.800 CB 1.880 11 residues pruned to eliminate duplicates Z: 12 34.266 2.330 0.888 0.932 1.000 1.000 CA 1.641 12 residues pruned to eliminate duplicates Z: 18 14.052 1.994 0.980 0.383 0.706 0.471 CB 1.386 18 residues pruned to eliminate duplicates Z: 11 23.169 1.960 0.821 0.887 1.000 0.800 CB 1.480 12 residues pruned to eliminate duplicates Z: 17 20.851 2.115 1.051 0.542 0.875 0.562 CB 1.318 Z: 87 80.204 2.293 1.299 0.582 0.930 0.547 CB 1.631 83 residues pruned to eliminate duplicates Z: 73 53.579 2.274 1.071 0.463 0.819 0.583 CB 1.698 57 residues pruned to eliminate duplicates Z: 16 29.793 2.131 1.167 0.799 0.867 0.667 CB 1.480 16 residues pruned to eliminate duplicates Z: 13 25.611 1.958 0.905 0.912 1.000 0.750 CA 1.404 12 residues pruned to eliminate duplicates Z: 27 40.306 2.244 1.154 0.476 0.962 0.577 CA 1.743 27 residues pruned to eliminate duplicates Z: 13 7.460 1.409 0.939 0.436 0.750 0.417 CB 1.123 13 residues pruned to eliminate duplicates Z: 13 35.824 2.261 0.864 0.912 1.000 0.833 CA 1.738 13 residues pruned to eliminate duplicates Z: 7 13.858 1.835 0.620 0.732 1.000 0.833 O 1.544 7 residues pruned to eliminate duplicates Z: 12 22.933 2.054 0.611 0.903 1.000 0.818 CA 1.490 12 residues pruned to eliminate duplicates Z: 15 38.093 2.194 1.108 0.907 1.000 0.714 CB 1.566 15 residues pruned to eliminate duplicates Z: 12 12.074 1.907 0.878 0.373 0.818 0.636 CA 1.422 Z: 13 45.722 2.354 1.532 0.925 0.917 0.833 CB 1.695 14 residues pruned to eliminate duplicates Z: 6 5.279 1.933 1.077 0.587 0.800 0.600 CB 0.676 Z: 17 45.234 2.296 1.267 0.889 0.938 0.688 CA 1.669 17 residues pruned to eliminate duplicates Z: 11 18.602 2.084 0.424 0.902 1.000 1.000 CA 1.414 11 residues pruned to eliminate duplicates Z: 46 41.868 2.307 0.973 0.470 0.822 0.667 CB 1.719 46 residues pruned to eliminate duplicates Z: 15 35.858 2.219 1.117 0.905 0.929 0.643 CB 1.563 15 residues pruned to eliminate duplicates Z: 6 13.210 1.867 0.565 0.827 1.000 0.800 O 1.524 6 residues pruned to eliminate duplicates Z: 14 46.326 2.196 1.429 0.898 1.000 0.846 CB 1.722 14 residues pruned to eliminate duplicates Z: 16 10.547 1.977 0.817 0.234 0.733 0.467 CB 1.408 19 residues pruned to eliminate duplicates Z: 32 17.178 2.044 0.739 0.325 0.774 0.355 CB 1.359 32 residues pruned to eliminate duplicates Z: 20 15.262 2.129 0.560 0.419 0.737 0.632 CB 1.557 20 residues pruned to eliminate duplicates Z: 24 33.735 2.254 1.253 0.515 0.913 0.652 CB 1.495 25 residues pruned to eliminate duplicates Z: 12 49.227 2.408 1.650 0.931 0.909 0.636 CA 1.787 12 residues pruned to eliminate duplicates Z: 79 48.115 2.232 1.047 0.449 0.808 0.513 CB 1.556 79 residues pruned to eliminate duplicates Z: 12 24.395 1.921 0.834 0.875 1.000 0.909 CA 1.518 12 residues pruned to eliminate duplicates Z: 15 44.350 2.300 1.310 0.923 0.929 0.714 CB 1.688 16 residues pruned to eliminate duplicates Z: 16 26.748 2.122 0.893 0.887 0.933 0.733 CA 1.328 16 residues pruned to eliminate duplicates Z: 17 23.024 2.173 0.953 0.411 0.938 0.562 CB 1.588 21 residues pruned to eliminate duplicates Z: 17 34.250 2.150 0.789 0.868 1.000 0.688 CA 1.627 17 residues pruned to eliminate duplicates Z: 13 46.417 2.332 1.340 0.850 1.000 0.750 CA 1.818 13 residues pruned to eliminate duplicates Z: 16 29.099 2.087 0.873 0.820 0.867 0.733 CB 1.679 16 residues pruned to eliminate duplicates Z: 14 41.998 2.234 1.091 0.915 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 16 37.345 2.212 1.129 0.923 0.933 0.600 CB 1.542 15 residues pruned to eliminate duplicates Z: 17 37.781 2.205 1.153 0.845 0.938 0.750 CA 1.577 17 residues pruned to eliminate duplicates Z: 23 30.113 2.196 1.082 0.469 0.864 0.682 CA 1.679 23 residues pruned to eliminate duplicates Z: 12 32.203 2.095 1.106 0.916 1.000 0.818 CB 1.554 12 residues pruned to eliminate duplicates Z: 39 34.115 2.169 0.975 0.477 0.895 0.632 CB 1.478 38 residues pruned to eliminate duplicates Z: 8 6.604 1.723 0.561 0.742 0.857 0.571 CB 0.872 8 residues pruned to eliminate duplicates Z: 6 9.630 2.026 0.946 0.536 0.800 0.400 CB 1.319 6 residues pruned to eliminate duplicates Z: 17 43.836 2.202 1.276 0.848 1.000 0.688 CA 1.622 17 residues pruned to eliminate duplicates Z: 21 14.829 1.968 0.916 0.340 0.900 0.600 CB 1.163 21 residues pruned to eliminate duplicates Z: 14 45.541 2.281 1.530 0.913 1.000 0.615 CB 1.550 14 residues pruned to eliminate duplicates Z: 11 20.306 2.244 0.981 0.637 0.800 0.500 CB 1.588 11 residues pruned to eliminate duplicates Z: 13 27.465 2.123 1.151 0.795 0.917 0.750 CB 1.462 13 residues pruned to eliminate duplicates Z: 16 38.198 2.235 1.048 0.868 1.000 0.600 CB 1.575 16 residues pruned to eliminate duplicates Z: 15 14.071 2.057 0.802 0.597 0.929 0.571 CB 0.996 Z: 11 27.125 2.155 0.971 0.864 1.000 0.700 CA 1.480 11 residues pruned to eliminate duplicates Z: 12 8.568 1.925 0.631 0.431 0.727 0.545 CB 1.215 12 residues pruned to eliminate duplicates Z: 8 11.194 2.029 0.619 0.688 1.000 0.714 CB 1.084 8 residues pruned to eliminate duplicates Z: 15 37.622 2.256 1.183 0.783 1.000 0.643 CB 1.592 15 residues pruned to eliminate duplicates Z: 11 45.707 2.414 1.262 0.896 1.000 0.900 CA 1.896 11 residues pruned to eliminate duplicates Z: 11 29.508 2.109 1.116 0.890 1.000 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 29 34.559 2.158 1.200 0.558 0.821 0.607 CB 1.582 14 residues pruned to eliminate duplicates Z: 26 27.682 2.229 1.017 0.466 0.760 0.480 CB 1.678 26 residues pruned to eliminate duplicates Z: 11 22.277 2.231 1.056 0.655 0.900 0.400 CA 1.477 11 residues pruned to eliminate duplicates Z: 8 13.377 1.996 1.478 0.702 0.714 0.571 N 1.191 Z: 18 32.434 2.112 0.957 0.877 0.882 0.706 CA 1.567 18 residues pruned to eliminate duplicates Z: 6 12.012 1.898 0.725 0.662 1.000 0.600 CA 1.411 6 residues pruned to eliminate duplicates Z: 9 28.051 2.274 1.190 0.616 1.000 0.750 CA 1.784 9 residues pruned to eliminate duplicates Z: 16 29.569 2.088 1.029 0.893 0.933 0.867 CA 1.386 16 residues pruned to eliminate duplicates Z: 9 17.393 1.838 0.744 0.867 1.000 0.750 CA 1.404 9 residues pruned to eliminate duplicates Z: 16 44.795 2.270 1.055 0.885 1.000 0.867 CA 1.790 16 residues pruned to eliminate duplicates Z: 8 13.982 1.987 0.351 0.738 1.000 0.571 CA 1.590 Z: 13 30.836 2.232 0.838 0.907 1.000 0.833 CA 1.543 13 residues pruned to eliminate duplicates Z: 7 19.227 2.164 0.758 0.895 1.000 0.667 CA 1.479 7 residues pruned to eliminate duplicates Z: 15 21.035 1.889 0.988 0.804 0.786 0.714 CA 1.462 15 residues pruned to eliminate duplicates Z: 49 65.307 2.379 1.280 0.555 0.938 0.438 CB 1.758 58 residues pruned to eliminate duplicates Z: 37 48.627 2.313 1.177 0.517 0.917 0.694 CA 1.726 37 residues pruned to eliminate duplicates Z: 17 39.121 2.141 1.019 0.884 1.000 0.688 CA 1.635 17 residues pruned to eliminate duplicates Z: 12 22.859 2.022 0.816 0.884 0.909 0.909 CB 1.492 12 residues pruned to eliminate duplicates Z: 14 37.177 2.161 1.469 0.858 0.923 0.923 CB 1.541 14 residues pruned to eliminate duplicates Z: 13 49.863 2.346 1.747 0.868 1.000 0.750 CB 1.633 13 residues pruned to eliminate duplicates Z: 10 9.329 1.622 0.984 0.448 0.889 0.444 N 1.147 Z: 27 25.937 2.044 0.992 0.409 0.885 0.538 CB 1.554 27 residues pruned to eliminate duplicates Z: 16 36.054 2.280 0.828 0.902 0.933 0.800 CA 1.707 16 residues pruned to eliminate duplicates Z: 11 20.443 2.292 0.944 0.602 0.800 0.400 CA 1.645 11 residues pruned to eliminate duplicates Z: 9 29.696 2.205 1.331 0.906 0.875 0.875 CB 1.660 9 residues pruned to eliminate duplicates Z: 20 30.564 2.194 1.161 0.473 0.895 0.684 CB 1.700 20 residues pruned to eliminate duplicates Z: 17 33.462 2.056 1.134 0.906 1.000 0.812 CB 1.357 17 residues pruned to eliminate duplicates Z: 14 30.477 1.995 1.099 0.845 1.000 0.769 CB 1.500 14 residues pruned to eliminate duplicates Z: 7 12.879 1.949 0.738 0.740 0.833 0.333 CA 1.503 7 residues pruned to eliminate duplicates Z: 16 37.291 2.255 1.040 0.864 0.933 0.867 CB 1.644 16 residues pruned to eliminate duplicates Z: 36 37.116 2.256 1.295 0.503 0.829 0.600 CB 1.458 46 residues pruned to eliminate duplicates Z: 22 28.528 2.173 1.010 0.468 0.905 0.571 CA 1.627 22 residues pruned to eliminate duplicates Z: 11 10.741 2.010 0.628 0.219 0.900 0.400 CA 1.604 11 residues pruned to eliminate duplicates Z: 46 52.474 2.283 1.149 0.471 0.956 0.467 CB 1.719 46 residues pruned to eliminate duplicates Z: 59 64.115 2.301 1.267 0.540 0.914 0.621 CB 1.698 50 residues pruned to eliminate duplicates Z: 8 6.867 1.986 0.784 0.533 0.714 0.714 CB 0.993 Z: 30 24.910 2.096 0.804 0.485 0.759 0.414 CB 1.637 30 residues pruned to eliminate duplicates Z: 15 29.613 2.069 1.295 0.829 0.929 0.500 CA 1.350 15 residues pruned to eliminate duplicates Z: 28 21.902 2.175 0.810 0.380 0.778 0.519 CB 1.566 28 residues pruned to eliminate duplicates Z: 7 2.714 2.006 0.368 0.132 0.500 0.333 CB 1.279 7 residues pruned to eliminate duplicates Z: 26 34.440 2.240 1.176 0.660 0.880 0.520 CB 1.385 26 residues pruned to eliminate duplicates Z: 17 39.281 2.138 1.414 0.913 0.938 0.500 CB 1.437 17 residues pruned to eliminate duplicates Z: 25 29.430 2.201 1.006 0.444 0.917 0.500 CB 1.572 25 residues pruned to eliminate duplicates Z: 33 37.487 2.236 1.255 0.554 0.812 0.531 CB 1.535 29 residues pruned to eliminate duplicates Z: 12 35.638 2.091 1.335 0.939 1.000 0.909 CB 1.529 12 residues pruned to eliminate duplicates Z: 15 25.108 2.362 0.773 0.460 0.929 0.643 CB 1.797 15 residues pruned to eliminate duplicates Z: 9 26.825 2.450 0.880 0.749 0.875 0.375 CB 1.884 9 residues pruned to eliminate duplicates Z: 35 56.012 2.396 1.431 0.633 0.941 0.647 CB 1.546 34 residues pruned to eliminate duplicates Z: 6 9.769 1.967 1.533 0.470 0.600 0.600 N 1.506 6 residues pruned to eliminate duplicates Z: 12 21.305 2.056 0.706 0.915 1.000 0.909 CA 1.294 12 residues pruned to eliminate duplicates Z: 11 30.535 2.157 0.989 0.908 1.000 0.900 CA 1.599 11 residues pruned to eliminate duplicates Z: 11 14.015 2.050 1.170 0.527 0.600 0.400 CB 1.618 11 residues pruned to eliminate duplicates Z: 64 57.980 2.213 1.147 0.548 0.905 0.556 CB 1.621 65 residues pruned to eliminate duplicates Z: 31 24.534 2.121 1.138 0.407 0.800 0.433 CB 1.362 31 residues pruned to eliminate duplicates Z: 12 46.454 2.376 1.604 0.931 0.909 0.545 CB 1.740 12 residues pruned to eliminate duplicates Z: 27 26.876 2.217 0.973 0.457 0.808 0.538 CB 1.559 27 residues pruned to eliminate duplicates Z: 38 32.882 2.176 1.075 0.435 0.892 0.486 CB 1.436 38 residues pruned to eliminate duplicates Z: 28 29.956 2.059 0.923 0.606 0.889 0.778 CB 1.481 28 residues pruned to eliminate duplicates Z: 12 22.545 1.948 0.693 0.868 1.000 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 60 41.563 2.049 0.999 0.584 0.831 0.593 CB 1.467 51 residues pruned to eliminate duplicates Z: 15 31.949 2.172 1.213 0.896 0.929 0.714 CA 1.370 15 residues pruned to eliminate duplicates Z: 7 9.002 1.661 0.726 0.751 0.833 0.333 CB 1.230 7 residues pruned to eliminate duplicates Z: 6 7.533 2.023 0.410 0.799 0.600 0.400 O 1.516 6 residues pruned to eliminate duplicates Z: 21 17.268 2.012 1.000 0.422 0.800 0.550 CB 1.301 21 residues pruned to eliminate duplicates Z: 8 16.869 2.018 0.986 0.573 0.857 0.714 CB 1.730 8 residues pruned to eliminate duplicates Z: 74 64.070 2.264 1.137 0.506 0.904 0.603 CB 1.704 74 residues pruned to eliminate duplicates Z: 9 12.078 2.090 1.045 0.537 0.625 0.500 CB 1.541 9 residues pruned to eliminate duplicates Z: 23 28.902 2.164 1.044 0.505 0.864 0.636 CB 1.605 23 residues pruned to eliminate duplicates Z: 11 5.424 1.980 0.268 0.322 0.700 0.500 CA 1.188 11 residues pruned to eliminate duplicates Z: 19 24.626 2.157 0.805 0.517 0.889 0.667 CA 1.650 19 residues pruned to eliminate duplicates Z: 15 16.279 2.068 0.851 0.386 0.786 0.571 CB 1.632 15 residues pruned to eliminate duplicates Z: 36 34.697 2.062 1.230 0.522 0.857 0.629 CB 1.455 36 residues pruned to eliminate duplicates Z: 8 17.840 2.222 1.525 0.656 0.714 0.286 CB 1.455 8 residues pruned to eliminate duplicates Z: 19 31.282 2.235 1.279 0.556 0.833 0.500 CB 1.646 19 residues pruned to eliminate duplicates Z: 17 38.229 2.314 0.758 0.886 1.000 0.750 CA 1.694 17 residues pruned to eliminate duplicates Z: 14 34.226 2.183 1.106 0.881 0.923 0.385 CB 1.620 14 residues pruned to eliminate duplicates Z: 16 47.193 2.346 1.131 0.881 1.000 0.800 CA 1.765 16 residues pruned to eliminate duplicates Z: 91 63.734 2.201 1.034 0.524 0.933 0.567 CB 1.570 91 residues pruned to eliminate duplicates Z: 9 6.293 2.105 0.991 0.292 0.500 0.375 CA 1.342 9 residues pruned to eliminate duplicates Z: 14 33.791 2.210 1.525 0.843 0.846 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 14 36.922 2.206 1.156 0.904 1.000 0.462 CB 1.533 14 residues pruned to eliminate duplicates Z: 11 32.572 2.232 1.037 0.899 1.000 0.800 CA 1.620 11 residues pruned to eliminate duplicates Z: 11 25.275 2.135 0.777 0.886 1.000 0.800 CA 1.519 10 residues pruned to eliminate duplicates Z: 28 30.648 2.220 0.938 0.484 0.889 0.481 CB 1.567 31 residues pruned to eliminate duplicates Z: 25 29.481 2.219 1.227 0.368 0.792 0.417 CB 1.772 25 residues pruned to eliminate duplicates Z: 26 34.970 2.247 1.210 0.568 0.800 0.280 CB 1.649 26 residues pruned to eliminate duplicates Z: 12 31.947 1.972 1.185 0.900 1.000 1.000 CA 1.597 11 residues pruned to eliminate duplicates Z: 13 13.204 2.041 0.830 0.354 0.833 0.583 CB 1.434 13 residues pruned to eliminate duplicates Z: 11 13.669 1.654 0.597 0.812 0.900 0.600 CA 1.386 11 residues pruned to eliminate duplicates Z: 7 6.879 1.552 0.503 0.756 0.833 0.667 O 1.149 7 residues pruned to eliminate duplicates Z: 15 23.996 1.817 1.240 0.854 0.857 0.786 CA 1.358 15 residues pruned to eliminate duplicates Z: 7 6.876 1.787 0.727 0.489 1.000 0.500 CB 0.920 7 residues pruned to eliminate duplicates Z: 39 45.474 2.344 1.219 0.514 0.868 0.579 CB 1.611 39 residues pruned to eliminate duplicates Z: 41 30.837 2.139 0.970 0.470 0.900 0.400 CB 1.325 45 residues pruned to eliminate duplicates Z: 15 41.888 2.235 1.333 0.888 1.000 0.714 CB 1.547 15 residues pruned to eliminate duplicates Z: 7 4.446 1.833 0.541 0.375 0.833 0.500 CB 0.881 Z: 20 24.023 2.156 1.015 0.496 0.789 0.474 CB 1.613 20 residues pruned to eliminate duplicates Z: 56 39.998 2.189 1.020 0.461 0.800 0.509 CB 1.586 56 residues pruned to eliminate duplicates Z: 6 9.935 1.906 0.740 0.634 1.000 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 18 13.558 2.072 0.687 0.338 0.824 0.353 CB 1.363 18 residues pruned to eliminate duplicates Z: 12 28.291 1.976 1.411 0.912 1.000 0.909 CB 1.268 12 residues pruned to eliminate duplicates Z: 24 19.856 2.198 0.878 0.416 0.870 0.565 CB 1.259 24 residues pruned to eliminate duplicates Z: 34 37.713 2.136 1.001 0.681 0.909 0.576 CB 1.430 63 residues pruned to eliminate duplicates Z: 62 53.692 2.232 1.200 0.506 0.902 0.525 CB 1.544 62 residues pruned to eliminate duplicates Z: 8 15.531 2.383 1.158 0.720 0.571 0.286 CB 1.637 8 residues pruned to eliminate duplicates Z: 34 46.109 2.316 1.160 0.522 0.939 0.515 CB 1.671 34 residues pruned to eliminate duplicates Z: 20 15.930 1.822 0.733 0.456 0.842 0.737 CA 1.437 20 residues pruned to eliminate duplicates Z: 11 12.431 1.612 0.824 0.817 0.900 0.600 CB 1.128 11 residues pruned to eliminate duplicates Z: 9 6.658 2.037 0.717 0.352 0.500 0.375 CB 1.580 9 residues pruned to eliminate duplicates Z: 20 22.191 2.250 0.920 0.365 0.842 0.421 CB 1.619 20 residues pruned to eliminate duplicates Z: 90 60.041 2.254 1.153 0.474 0.865 0.573 CB 1.556 90 residues pruned to eliminate duplicates Z: 13 35.613 2.165 1.291 0.854 1.000 0.667 CB 1.531 27 residues pruned to eliminate duplicates Z: 7 9.143 2.063 0.306 0.721 1.000 0.667 CB 1.135 6 residues pruned to eliminate duplicates Z: 39 33.305 2.148 1.046 0.423 0.868 0.605 CB 1.534 40 residues pruned to eliminate duplicates Z: 6 2.909 2.143 0.550 0.263 0.400 0.400 CB 1.283 Z: 17 41.412 2.191 1.065 0.869 1.000 0.812 CA 1.672 17 residues pruned to eliminate duplicates Z: 10 14.693 2.175 1.383 0.629 0.667 0.222 CB 1.255 10 residues pruned to eliminate duplicates Z: 87 67.994 2.242 1.200 0.531 0.895 0.593 CB 1.610 87 residues pruned to eliminate duplicates Z: 16 29.676 2.182 1.111 0.730 0.867 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 33 22.964 2.110 0.961 0.320 0.781 0.500 CB 1.533 33 residues pruned to eliminate duplicates Z: 23 29.872 2.162 1.216 0.470 0.864 0.591 CA 1.586 23 residues pruned to eliminate duplicates Z: 25 28.685 2.122 1.268 0.536 0.833 0.625 CB 1.409 25 residues pruned to eliminate duplicates Z: 15 20.192 2.230 0.661 0.463 0.929 0.500 CB 1.629 15 residues pruned to eliminate duplicates Z: 16 41.137 2.242 1.135 0.868 1.000 0.667 CB 1.622 16 residues pruned to eliminate duplicates Z: 9 13.912 2.029 0.685 0.431 1.000 1.000 CB 1.545 Z: 14 37.595 2.219 1.116 0.923 1.000 0.615 CA 1.561 Z: 15 8.100 2.023 0.414 0.191 0.786 0.429 CB 1.395 15 residues pruned to eliminate duplicates Z: 12 42.543 2.335 1.588 0.905 0.909 0.818 CA 1.662 12 residues pruned to eliminate duplicates Z: 28 16.793 1.965 0.876 0.335 0.815 0.519 CB 1.288 37 residues pruned to eliminate duplicates Z: 17 36.766 2.157 1.177 0.841 0.938 0.875 CB 1.557 17 residues pruned to eliminate duplicates Z: 79 61.636 2.286 0.975 0.536 0.910 0.590 CB 1.639 79 residues pruned to eliminate duplicates Z: 53 45.864 2.094 1.124 0.518 0.904 0.615 CB 1.555 39 residues pruned to eliminate duplicates Z: 17 33.423 2.148 1.356 0.853 0.812 0.500 CB 1.501 17 residues pruned to eliminate duplicates Z: 16 39.665 2.189 1.073 0.861 1.000 0.533 CB 1.658 16 residues pruned to eliminate duplicates Z: 17 37.675 2.174 1.089 0.859 0.938 0.750 CA 1.628 17 residues pruned to eliminate duplicates Z: 16 29.574 1.741 1.288 0.865 0.933 0.533 CB 1.505 13 residues pruned to eliminate duplicates Z: 31 30.338 2.082 0.883 0.501 0.867 0.500 CB 1.628 31 residues pruned to eliminate duplicates Z: 7 12.834 2.026 0.609 0.865 0.667 0.500 CA 1.766 7 residues pruned to eliminate duplicates Z: 17 31.101 2.073 1.027 0.826 0.875 0.500 CA 1.595 17 residues pruned to eliminate duplicates Z: 9 14.097 1.786 0.902 0.708 0.875 0.500 O 1.388 9 residues pruned to eliminate duplicates Z: 14 15.814 2.295 0.452 0.437 0.846 0.538 CB 1.659 14 residues pruned to eliminate duplicates Z: 28 25.576 2.111 1.050 0.443 0.852 0.519 CB 1.416 28 residues pruned to eliminate duplicates Z: 15 17.011 2.191 0.832 0.388 0.857 0.571 CB 1.489 15 residues pruned to eliminate duplicates Z: 90 66.369 2.181 1.058 0.579 0.944 0.562 CB 1.539 90 residues pruned to eliminate duplicates Z: 23 47.842 2.281 1.302 0.727 0.955 0.864 CB 1.659 23 residues pruned to eliminate duplicates Z: 29 23.007 2.054 0.754 0.413 0.857 0.500 CB 1.542 29 residues pruned to eliminate duplicates Z: 10 15.355 1.936 1.222 0.634 0.667 0.444 O 1.574 8 residues pruned to eliminate duplicates Z: 22 25.686 2.257 0.763 0.563 0.857 0.571 CB 1.545 22 residues pruned to eliminate duplicates Z: 12 10.932 1.858 0.627 0.514 0.909 0.455 CB 1.183 12 residues pruned to eliminate duplicates Z: 18 17.112 2.008 1.081 0.447 0.824 0.471 CB 1.273 18 residues pruned to eliminate duplicates Z: 25 29.368 2.106 1.220 0.503 0.875 0.583 CB 1.461 25 residues pruned to eliminate duplicates Z: 23 15.583 1.917 0.895 0.559 0.682 0.545 CB 1.267 23 residues pruned to eliminate duplicates Z: 15 36.584 2.344 0.916 0.815 0.929 0.714 CA 1.783 15 residues pruned to eliminate duplicates Z: 8 17.954 2.051 0.788 0.859 0.857 0.714 CA 1.588 8 residues pruned to eliminate duplicates Z: 6 5.951 1.881 0.884 0.298 0.600 0.400 N 1.568 6 residues pruned to eliminate duplicates Z: 13 21.647 1.901 1.078 0.847 0.917 0.667 CB 1.281 13 residues pruned to eliminate duplicates Z: 69 56.565 2.244 1.261 0.502 0.897 0.515 CB 1.504 69 residues pruned to eliminate duplicates Z: 15 33.495 2.194 1.344 0.861 0.929 0.714 CB 1.377 15 residues pruned to eliminate duplicates Z: 39 34.881 2.169 1.031 0.457 0.921 0.553 CB 1.458 39 residues pruned to eliminate duplicates Z: 39 31.111 2.240 0.909 0.363 0.789 0.474 CB 1.733 39 residues pruned to eliminate duplicates Z: 63 54.991 2.235 1.149 0.506 0.919 0.532 CB 1.572 63 residues pruned to eliminate duplicates Z: 23 12.487 1.909 0.704 0.384 0.773 0.455 CB 1.198 23 residues pruned to eliminate duplicates Z: 60 45.202 2.074 0.984 0.569 0.881 0.576 CB 1.518 60 residues pruned to eliminate duplicates Z: 30 36.140 2.218 1.125 0.579 0.931 0.483 CB 1.418 30 residues pruned to eliminate duplicates Z: 7 4.442 1.835 0.192 0.507 0.833 0.500 CB 0.988 Z: 19 28.965 2.230 1.482 0.639 0.833 0.722 CB 1.300 19 residues pruned to eliminate duplicates Z: 10 14.876 1.820 0.386 0.838 1.000 0.556 CB 1.469 10 residues pruned to eliminate duplicates Z: 12 25.099 1.935 1.084 0.891 1.000 0.636 CB 1.350 12 residues pruned to eliminate duplicates Z: 22 16.156 1.999 0.921 0.378 0.857 0.524 CB 1.221 21 residues pruned to eliminate duplicates Z: 11 14.833 1.766 0.533 0.846 1.000 0.700 CB 1.287 11 residues pruned to eliminate duplicates 7 1.842 1.496 1.118 0.453 0.667 0.667 CB 0.374 ? Z: 10 3.438 1.686 0.633 0.290 0.778 0.333 CB 0.677 10 residues pruned to eliminate duplicates Z: 39 33.311 2.110 1.062 0.494 0.921 0.579 CB 1.357 39 residues pruned to eliminate duplicates Z: 27 36.743 2.206 1.099 0.643 0.846 0.692 CB 1.610 27 residues pruned to eliminate duplicates Z: 38 46.435 2.304 1.188 0.550 0.892 0.595 CB 1.618 38 residues pruned to eliminate duplicates Z: 7 16.279 2.039 1.061 0.702 0.833 0.833 N 1.579 Z: 8 2.198 1.799 0.484 0.370 0.429 0.429 CA 0.835 8 residues pruned to eliminate duplicates Z: 17 18.626 1.976 0.799 0.443 0.875 0.625 CA 1.588 17 residues pruned to eliminate duplicates Z: 41 49.418 2.375 1.215 0.503 0.900 0.575 CB 1.644 41 residues pruned to eliminate duplicates Z: 38 30.124 2.179 0.923 0.455 0.811 0.541 CB 1.527 38 residues pruned to eliminate duplicates Z: 13 20.476 2.262 1.247 0.399 0.833 0.500 CB 1.553 13 residues pruned to eliminate duplicates Z: 7 18.479 2.149 0.959 0.813 1.000 0.833 N 1.365 7 residues pruned to eliminate duplicates Z: 6 7.269 1.929 0.597 0.484 0.800 0.800 O 1.340 Z: 15 40.733 2.203 1.476 0.882 0.929 0.857 CB 1.555 15 residues pruned to eliminate duplicates Z: 6 8.042 1.941 0.071 0.646 1.000 1.000 O 1.509 Z: 10 13.716 1.836 0.894 0.660 0.778 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 10 5.644 1.598 0.417 0.470 0.778 0.444 CB 1.101 Z: 34 54.623 2.391 1.296 0.546 0.939 0.485 CB 1.763 34 residues pruned to eliminate duplicates Z: 15 11.096 1.888 0.968 0.404 0.714 0.286 CB 1.236 21 residues pruned to eliminate duplicates Z: 15 39.491 2.192 1.258 0.910 1.000 0.857 CB 1.512 15 residues pruned to eliminate duplicates Z: 14 33.027 2.075 0.998 0.914 1.000 0.769 CA 1.562 14 residues pruned to eliminate duplicates Z: 23 18.399 1.983 0.805 0.402 0.773 0.591 CB 1.571 23 residues pruned to eliminate duplicates Z: 19 18.538 2.072 0.941 0.407 0.889 0.500 CB 1.347 18 residues pruned to eliminate duplicates Z: 14 29.140 2.022 1.402 0.790 0.923 0.692 CB 1.398 14 residues pruned to eliminate duplicates Z: 68 57.692 2.225 1.007 0.562 0.910 0.537 CB 1.633 68 residues pruned to eliminate duplicates Z: 18 14.471 1.911 0.664 0.423 0.765 0.471 CB 1.563 Z: 55 48.772 2.263 1.180 0.505 0.833 0.500 CB 1.607 55 residues pruned to eliminate duplicates Z: 15 39.697 2.355 1.173 0.871 0.929 0.643 CA 1.629 15 residues pruned to eliminate duplicates Z: 7 3.315 1.808 0.234 0.428 0.833 0.667 CB 0.784 5 residues pruned to eliminate duplicates Z: 25 36.760 2.197 1.326 0.470 0.875 0.583 CB 1.729 25 residues pruned to eliminate duplicates Z: 25 24.369 2.146 0.795 0.514 0.833 0.542 CB 1.528 25 residues pruned to eliminate duplicates Z: 6 4.802 1.820 1.242 0.454 0.600 0.600 CB 0.920 Z: 31 16.536 2.118 0.600 0.243 0.767 0.333 CA 1.564 31 residues pruned to eliminate duplicates Z: 13 15.383 2.058 0.672 0.392 0.917 0.500 CB 1.579 13 residues pruned to eliminate duplicates Z: 20 22.869 2.263 0.948 0.444 0.789 0.474 CB 1.596 20 residues pruned to eliminate duplicates Z: 12 38.236 2.122 1.424 0.933 1.000 0.818 CB 1.564 12 residues pruned to eliminate duplicates Z: 15 53.244 2.236 1.454 0.874 1.000 0.714 CA 1.888 15 residues pruned to eliminate duplicates Z: 10 22.225 2.382 0.888 0.687 0.778 0.222 CA 1.783 10 residues pruned to eliminate duplicates Z: 6 4.068 1.742 0.078 0.683 1.000 0.800 CB 0.819 6 residues pruned to eliminate duplicates Z: 7 19.511 1.966 0.765 0.880 1.000 0.833 CA 1.662 7 residues pruned to eliminate duplicates Z: 23 37.585 2.125 1.141 0.731 0.909 0.727 CB 1.573 23 residues pruned to eliminate duplicates Z: 13 19.924 1.835 1.038 0.857 1.000 0.833 CA 1.134 13 residues pruned to eliminate duplicates Z: 12 12.775 2.058 1.013 0.429 0.818 0.364 CB 1.223 12 residues pruned to eliminate duplicates Z: 7 5.234 1.630 0.983 0.252 0.667 0.333 CB 1.319 Z: 10 6.175 1.817 0.463 0.422 0.778 0.556 CB 1.080 Z: 17 29.259 2.181 1.042 0.867 0.875 0.625 CB 1.373 17 residues pruned to eliminate duplicates Z: 28 48.091 2.319 1.235 0.492 0.963 0.333 CA 1.870 31 residues pruned to eliminate duplicates Z: 18 33.241 2.126 0.898 0.818 0.941 0.765 CA 1.610 18 residues pruned to eliminate duplicates Z: 16 33.263 2.199 0.813 0.857 1.000 0.533 CA 1.588 16 residues pruned to eliminate duplicates Z: 13 41.053 2.295 1.191 0.927 1.000 1.000 CA 1.651 13 residues pruned to eliminate duplicates Z: 19 14.515 1.916 0.848 0.445 0.778 0.278 CB 1.315 19 residues pruned to eliminate duplicates Z: 6 5.076 1.519 0.527 0.598 0.800 0.600 N 1.114 Z: 15 25.485 1.880 1.113 0.834 0.857 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 105 72.730 2.258 1.172 0.521 0.904 0.538 CB 1.576 105 residues pruned to eliminate duplicates Z: 14 15.763 1.990 1.143 0.727 1.000 0.692 CB 0.836 8 residues pruned to eliminate duplicates Z: 44 42.171 2.152 1.035 0.511 0.884 0.674 CB 1.644 44 residues pruned to eliminate duplicates Z: 6 5.544 1.669 0.482 0.557 0.800 0.600 O 1.186 Z: 56 64.962 2.281 1.346 0.537 0.945 0.545 CB 1.669 56 residues pruned to eliminate duplicates Z: 16 57.736 2.495 1.241 0.885 1.000 0.533 CB 1.925 16 residues pruned to eliminate duplicates Z: 14 36.345 2.094 1.575 0.883 0.923 0.923 CB 1.465 14 residues pruned to eliminate duplicates Z: 8 22.384 1.976 0.999 0.841 1.000 0.429 CA 1.597 Z: 23 33.771 2.237 1.200 0.487 0.909 0.591 CB 1.629 23 residues pruned to eliminate duplicates Z: 26 27.006 2.169 1.138 0.415 0.800 0.520 CB 1.592 26 residues pruned to eliminate duplicates Z: 6 5.308 1.934 -0.283 0.618 1.000 1.000 CB 1.531 Z: 8 10.968 1.938 1.712 0.578 0.714 0.571 CB 1.024 Z: 29 43.896 2.342 1.185 0.534 0.964 0.679 CB 1.625 29 residues pruned to eliminate duplicates Z: 13 12.469 1.905 1.055 0.421 0.833 0.583 CB 1.198 16 residues pruned to eliminate duplicates Z: 29 27.649 2.118 0.798 0.589 0.857 0.714 CB 1.469 29 residues pruned to eliminate duplicates Z: 12 37.142 2.311 0.924 0.929 1.000 0.909 CB 1.762 12 residues pruned to eliminate duplicates Z: 16 44.801 2.311 1.177 0.883 1.000 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 11 31.188 2.151 1.168 0.898 1.000 0.800 CA 1.513 11 residues pruned to eliminate duplicates Z: 11 5.800 1.780 0.417 0.114 0.800 0.500 CB 1.479 11 residues pruned to eliminate duplicates Z: 18 17.904 2.107 0.850 0.472 0.882 0.647 CB 1.299 18 residues pruned to eliminate duplicates Z: 16 11.350 1.862 0.654 0.409 0.867 0.333 CB 1.207 16 residues pruned to eliminate duplicates Z: 7 16.908 1.996 0.771 0.890 0.833 0.500 CB 1.686 7 residues pruned to eliminate duplicates Z: 6 5.042 1.698 0.457 0.297 1.000 0.400 CB 1.144 Z: 13 10.858 1.835 0.597 0.442 0.917 0.667 CB 1.239 Z: 16 17.699 2.191 1.074 0.463 0.867 0.600 CB 1.204 17 residues pruned to eliminate duplicates Z: 18 30.564 2.121 1.117 0.723 0.882 0.706 CB 1.530 18 residues pruned to eliminate duplicates Z: 11 25.172 2.057 1.162 0.896 1.000 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 7 5.473 1.779 0.973 0.373 0.667 0.333 CA 1.094 7 residues pruned to eliminate duplicates Z: 7 6.418 1.901 0.901 0.406 0.667 0.667 CB 1.200 7 residues pruned to eliminate duplicates Z: 8 16.190 2.042 0.507 0.900 0.857 0.714 CA 1.657 8 residues pruned to eliminate duplicates Z: 8 10.679 1.883 0.556 0.559 0.857 0.857 N 1.517 Z: 86 70.749 2.229 1.174 0.576 0.918 0.612 CB 1.605 87 residues pruned to eliminate duplicates Z: 47 42.800 2.240 1.083 0.537 0.826 0.609 CB 1.579 47 residues pruned to eliminate duplicates Z: 13 17.337 2.035 0.718 0.715 0.833 0.417 CA 1.414 13 residues pruned to eliminate duplicates Z: 15 27.282 2.038 0.968 0.907 0.929 0.571 CB 1.391 15 residues pruned to eliminate duplicates Z: 14 10.054 1.879 0.274 0.624 0.769 0.615 CB 1.347 Z: 9 3.740 1.526 0.239 0.283 0.750 0.250 CB 1.190 Z: 8 10.013 1.851 0.803 0.633 0.857 0.714 CB 1.167 Z: 6 4.431 2.014 -0.130 0.467 0.800 0.600 CB 1.463 Z: 10 14.289 1.678 1.365 0.556 0.889 0.444 N 1.279 Z: 7 9.956 1.635 0.819 0.835 0.833 0.333 CA 1.228 Z: 40 45.562 2.300 1.139 0.515 0.923 0.462 CB 1.584 40 residues pruned to eliminate duplicates Z: 16 29.120 2.210 0.885 0.801 0.867 0.600 CB 1.601 16 residues pruned to eliminate duplicates Z: 6 9.332 1.750 1.112 0.680 0.800 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 14 37.149 2.153 1.627 0.898 0.923 0.769 CB 1.412 14 residues pruned to eliminate duplicates Z: 13 20.643 2.082 0.837 0.490 0.917 0.417 CB 1.716 15 residues pruned to eliminate duplicates Z: 8 11.120 1.805 1.251 0.458 0.714 0.571 CB 1.511 Z: 10 4.593 1.691 0.851 0.240 0.556 0.333 O 1.190 Z: 8 6.182 1.810 0.772 0.281 0.714 0.143 CB 1.306 8 residues pruned to eliminate duplicates Z: 12 10.864 2.051 0.427 0.356 0.909 0.636 CA 1.438 Z: 18 16.584 2.003 1.095 0.397 0.824 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 11 3.741 1.802 0.122 0.241 0.800 0.600 CB 0.987 Z: 7 5.457 1.864 0.278 0.223 0.833 0.667 CB 1.553 7 residues pruned to eliminate duplicates Z: 62 40.753 2.198 0.928 0.450 0.869 0.459 CB 1.492 60 residues pruned to eliminate duplicates Z: 7 8.286 1.899 1.460 0.633 0.667 0.500 CA 0.959 7 residues pruned to eliminate duplicates Z: 21 29.536 2.196 1.119 0.475 0.900 0.600 CB 1.618 21 residues pruned to eliminate duplicates Z: 11 5.336 1.888 0.551 0.267 0.700 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 38 50.946 2.362 1.199 0.509 0.946 0.595 CB 1.690 38 residues pruned to eliminate duplicates Z: 8 11.899 1.941 0.966 0.581 0.857 0.714 CA 1.271 8 residues pruned to eliminate duplicates Z: 86 57.457 2.117 1.068 0.497 0.894 0.553 CB 1.597 94 residues pruned to eliminate duplicates Z: 79 70.963 2.264 1.239 0.515 0.897 0.615 CA 1.740 79 residues pruned to eliminate duplicates Z: 10 9.020 1.855 0.756 0.357 0.778 0.444 CB 1.385 Z: 14 10.643 1.910 0.671 0.433 0.846 0.538 CB 1.172 14 residues pruned to eliminate duplicates Z: 33 48.101 2.318 1.133 0.595 0.938 0.688 CB 1.676 33 residues pruned to eliminate duplicates Z: 26 27.405 2.001 1.258 0.497 0.840 0.440 CB 1.448 26 residues pruned to eliminate duplicates Z: 19 19.144 2.145 1.036 0.396 0.833 0.500 CB 1.384 19 residues pruned to eliminate duplicates Z: 14 19.062 2.152 1.255 0.491 0.769 0.615 CB 1.430 14 residues pruned to eliminate duplicates Z: 6 4.931 1.868 0.391 0.378 0.800 0.400 CB 1.209 Z: 15 7.712 1.921 0.393 0.468 0.857 0.571 CB 0.928 15 residues pruned to eliminate duplicates Z: 7 20.553 2.201 1.280 0.622 1.000 0.667 CA 1.491 7 residues pruned to eliminate duplicates Z: 13 24.880 2.010 0.865 0.770 1.000 0.833 CA 1.508 13 residues pruned to eliminate duplicates Z: 15 19.398 2.124 0.899 0.459 0.929 0.643 CB 1.443 12 residues pruned to eliminate duplicates Z: 13 9.147 1.712 0.712 0.452 0.833 0.500 CB 1.135 13 residues pruned to eliminate duplicates Z: 11 12.128 1.895 0.826 0.492 0.800 0.600 CA 1.397 11 residues pruned to eliminate duplicates Z: 13 22.770 2.199 0.898 0.901 0.917 0.833 CA 1.227 13 residues pruned to eliminate duplicates Z: 11 10.466 1.879 0.959 0.424 0.800 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 7 22.698 2.024 1.008 0.873 1.000 0.333 CA 1.661 7 residues pruned to eliminate duplicates Z: 23 34.354 2.074 1.185 0.561 0.909 0.636 CB 1.676 23 residues pruned to eliminate duplicates Z: 7 14.267 1.906 0.977 0.647 1.000 0.667 CA 1.348 7 residues pruned to eliminate duplicates Z: 16 36.807 2.251 1.371 0.862 0.867 0.667 CB 1.508 16 residues pruned to eliminate duplicates Z: 33 35.320 2.267 1.113 0.473 0.844 0.375 CB 1.587 33 residues pruned to eliminate duplicates Z: 64 43.577 2.159 0.999 0.473 0.825 0.476 CB 1.584 64 residues pruned to eliminate duplicates Z: 6 15.323 2.115 0.888 0.776 0.800 0.600 CB 1.681 6 residues pruned to eliminate duplicates Z: 6 15.526 1.908 1.313 0.834 1.000 1.000 CB 1.179 Z: 76 54.203 2.240 1.168 0.448 0.880 0.427 CB 1.544 76 residues pruned to eliminate duplicates Z: 9 5.073 1.477 0.660 0.301 0.750 0.375 N 1.218 Z: 14 42.855 2.267 1.319 0.930 1.000 0.769 CB 1.581 14 residues pruned to eliminate duplicates Z: 32 23.999 2.022 1.036 0.526 0.806 0.387 CB 1.266 32 residues pruned to eliminate duplicates Z: 7 3.654 1.872 0.755 0.224 0.667 0.333 CB 0.941 Z: 29 27.140 2.111 0.880 0.474 0.857 0.393 CB 1.548 29 residues pruned to eliminate duplicates Z: 47 51.996 2.338 1.160 0.559 0.913 0.565 CB 1.569 47 residues pruned to eliminate duplicates Z: 14 7.445 1.721 0.019 0.605 1.000 0.692 CB 1.065 Z: 14 18.541 1.912 0.709 0.792 0.846 0.308 CB 1.439 14 residues pruned to eliminate duplicates Z: 13 22.766 2.131 0.666 0.852 0.917 0.917 CA 1.493 13 residues pruned to eliminate duplicates Z: 15 39.799 2.250 1.115 0.863 0.929 0.643 CB 1.767 15 residues pruned to eliminate duplicates Z: 23 23.154 2.101 1.189 0.465 0.818 0.636 CB 1.360 23 residues pruned to eliminate duplicates Z: 8 10.409 1.870 0.769 0.608 0.714 0.714 CB 1.504 Z: 42 38.988 2.246 0.955 0.526 0.854 0.537 CB 1.583 42 residues pruned to eliminate duplicates Z: 8 3.590 1.765 0.502 0.360 0.714 0.429 CB 0.834 Z: 7 9.609 2.191 0.360 0.413 0.833 0.667 CA 1.730 7 residues pruned to eliminate duplicates Z: 13 10.540 1.902 0.799 0.351 0.833 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 31 25.199 2.045 0.811 0.464 0.900 0.533 CB 1.432 58 residues pruned to eliminate duplicates Z: 11 23.319 1.958 0.725 0.903 1.000 1.000 CB 1.557 11 residues pruned to eliminate duplicates Z: 7 7.613 1.840 0.104 0.811 0.833 0.667 C 1.400 6 residues pruned to eliminate duplicates Z: 8 15.704 1.950 0.938 0.665 1.000 0.714 N 1.349 Z: 37 37.767 2.055 0.966 0.623 0.889 0.667 CB 1.561 37 residues pruned to eliminate duplicates Z: 80 75.866 2.308 1.275 0.580 0.911 0.684 CB 1.652 80 residues pruned to eliminate duplicates Z: 25 38.062 2.234 1.190 0.575 0.917 0.667 CB 1.611 25 residues pruned to eliminate duplicates Z: 18 12.864 1.950 0.695 0.447 0.882 0.412 CB 1.130 19 residues pruned to eliminate duplicates Z: 6 5.723 1.696 0.645 0.427 0.800 0.400 O 1.237 Z: 29 36.744 2.189 1.123 0.561 0.964 0.607 CB 1.460 29 residues pruned to eliminate duplicates Z: 11 28.918 2.326 0.650 0.882 1.000 0.700 CB 1.724 11 residues pruned to eliminate duplicates Z: 9 5.975 1.874 0.427 0.378 0.875 0.750 CB 1.028 Z: 13 11.515 1.964 0.419 0.373 1.000 0.417 CB 1.367 13 residues pruned to eliminate duplicates Z: 14 10.805 1.684 0.674 0.455 0.846 0.538 N 1.315 7 residues pruned to eliminate duplicates Z: 19 24.858 2.274 0.906 0.509 0.833 0.333 CA 1.609 19 residues pruned to eliminate duplicates Z: 15 40.469 2.320 1.124 0.886 0.929 0.857 CA 1.705 15 residues pruned to eliminate duplicates Z: 60 52.828 2.259 1.042 0.550 0.864 0.542 CB 1.642 60 residues pruned to eliminate duplicates Z: 19 12.594 1.952 0.684 0.397 0.833 0.500 CB 1.209 26 residues pruned to eliminate duplicates Z: 6 6.267 1.874 0.422 0.652 0.600 0.600 CB 1.521 6 residues pruned to eliminate duplicates Z: 9 4.276 1.659 0.763 0.301 0.625 0.375 N 1.032 Z: 6 2.987 1.231 0.400 0.462 0.800 0.800 O 1.008 Z: 18 22.014 2.240 0.907 0.461 0.824 0.294 CA 1.579 18 residues pruned to eliminate duplicates Z: 9 11.216 1.680 0.671 0.775 0.875 0.625 CB 1.266 9 residues pruned to eliminate duplicates Z: 33 31.509 2.206 0.963 0.509 0.844 0.562 CB 1.511 33 residues pruned to eliminate duplicates Z: 9 22.220 2.239 1.265 0.701 0.750 0.375 CA 1.720 9 residues pruned to eliminate duplicates Z: 13 23.057 1.957 1.042 0.850 0.917 0.500 CB 1.346 Z: 32 26.229 2.061 1.082 0.436 0.871 0.484 CB 1.347 32 residues pruned to eliminate duplicates Z: 9 6.276 1.981 0.385 0.239 0.750 0.625 CB 1.459 9 residues pruned to eliminate duplicates Z: 30 28.810 2.162 0.901 0.481 0.828 0.552 CB 1.604 30 residues pruned to eliminate duplicates Z: 24 32.344 2.244 1.174 0.480 0.913 0.522 CB 1.545 24 residues pruned to eliminate duplicates Z: 18 8.693 1.879 0.733 0.355 0.824 0.529 CB 0.919 18 residues pruned to eliminate duplicates Z: 11 19.967 2.189 0.903 0.549 1.000 0.600 CB 1.445 19 residues pruned to eliminate duplicates Z: 11 17.806 2.105 0.900 0.630 0.700 0.400 CB 1.780 11 residues pruned to eliminate duplicates Z: 36 42.504 2.290 1.018 0.501 0.857 0.600 CB 1.812 36 residues pruned to eliminate duplicates Z: 21 25.225 2.051 1.100 0.673 0.800 0.650 CB 1.395 21 residues pruned to eliminate duplicates Z: 6 7.513 1.666 0.315 0.810 1.000 0.800 N 1.171 Z: 7 15.923 2.077 0.686 0.668 1.000 0.500 CA 1.589 7 residues pruned to eliminate duplicates Z: 18 23.090 2.216 1.101 0.397 0.824 0.471 CA 1.628 18 residues pruned to eliminate duplicates Z: 8 7.391 1.848 0.873 0.580 0.857 0.714 CB 0.872 8 residues pruned to eliminate duplicates Z: 12 6.284 1.775 0.540 0.227 0.818 0.182 CB 1.165 Z: 9 14.869 2.170 0.955 0.558 0.750 0.375 CB 1.562 9 residues pruned to eliminate duplicates Z: 15 15.753 1.952 0.582 0.617 0.857 0.571 CB 1.424 24 residues pruned to eliminate duplicates Z: 11 32.383 2.243 1.495 0.885 0.900 0.700 CB 1.467 11 residues pruned to eliminate duplicates 6 1.491 1.738 0.034 0.100 0.800 0.400 CB 0.773 ? Z: 54 35.037 2.131 1.086 0.358 0.849 0.453 CB 1.486 77 residues pruned to eliminate duplicates Z: 12 21.385 1.941 0.953 0.826 0.909 0.727 CA 1.411 12 residues pruned to eliminate duplicates Z: 17 39.623 2.161 1.379 0.916 0.938 0.750 CA 1.451 17 residues pruned to eliminate duplicates Z: 9 7.882 1.753 0.668 0.526 0.875 0.750 CB 1.061 18 residues pruned to eliminate duplicates Z: 13 20.587 1.708 1.311 0.850 0.917 0.750 CA 1.216 13 residues pruned to eliminate duplicates Z: 18 26.126 2.192 1.128 0.459 0.882 0.471 CA 1.605 18 residues pruned to eliminate duplicates Z: 11 14.983 1.795 1.079 0.441 0.900 0.600 O 1.499 11 residues pruned to eliminate duplicates Z: 8 14.408 1.917 0.975 0.821 0.714 0.429 CB 1.525 8 residues pruned to eliminate duplicates Z: 11 11.357 1.928 0.733 0.362 0.800 0.400 CA 1.559 11 residues pruned to eliminate duplicates Z: 12 9.715 1.924 0.784 0.319 0.818 0.455 CB 1.273 Z: 10 16.186 1.744 1.254 0.546 0.889 0.333 CA 1.477 10 residues pruned to eliminate duplicates Z: 21 21.858 2.055 1.129 0.469 0.750 0.600 CB 1.537 21 residues pruned to eliminate duplicates Z: 7 8.463 1.943 1.453 0.562 0.667 0.500 CB 1.024 Z: 11 10.301 1.617 0.271 0.828 1.000 0.800 CB 1.194 11 residues pruned to eliminate duplicates Z: 8 15.507 2.002 0.614 0.849 0.857 0.429 CB 1.569 8 residues pruned to eliminate duplicates Z: 30 33.146 2.266 1.004 0.503 0.828 0.552 CB 1.633 30 residues pruned to eliminate duplicates Z: 7 15.791 2.156 1.009 0.478 0.833 0.333 CB 1.826 7 residues pruned to eliminate duplicates Z: 13 28.576 2.376 1.375 0.528 0.833 0.583 CB 1.707 13 residues pruned to eliminate duplicates Z: 8 12.188 1.918 0.825 0.544 0.857 0.857 CB 1.471 Z: 7 20.841 2.051 1.113 0.859 0.833 0.333 O 1.733 7 residues pruned to eliminate duplicates Z: 14 43.739 2.278 1.294 0.930 1.000 1.000 CA 1.624 14 residues pruned to eliminate duplicates Z: 8 12.610 1.844 0.769 0.824 0.857 0.571 CB 1.287 8 residues pruned to eliminate duplicates Z: 23 20.037 2.065 0.783 0.442 0.818 0.636 CB 1.505 23 residues pruned to eliminate duplicates Z: 12 17.060 1.927 0.748 0.859 1.000 0.818 CA 1.124 12 residues pruned to eliminate duplicates Z: 9 6.075 1.720 0.791 0.255 1.000 0.375 N 0.924 5 residues pruned to eliminate duplicates Z: 42 35.868 2.190 0.963 0.443 0.878 0.634 CB 1.573 42 residues pruned to eliminate duplicates Z: 46 45.200 2.250 1.180 0.483 0.844 0.444 CB 1.655 46 residues pruned to eliminate duplicates Z: 7 3.627 1.755 0.476 0.258 0.667 0.500 CB 1.131 Z: 13 21.790 1.846 1.018 0.835 0.917 0.667 CB 1.380 13 residues pruned to eliminate duplicates Z: 18 9.766 1.939 0.654 0.307 0.706 0.412 CB 1.296 18 residues pruned to eliminate duplicates Z: 14 15.113 2.015 0.443 0.607 0.846 0.615 CB 1.540 14 residues pruned to eliminate duplicates Z: 65 46.778 2.284 1.185 0.441 0.828 0.406 CB 1.503 65 residues pruned to eliminate duplicates Z: 8 10.380 1.917 0.414 0.769 0.714 0.571 O 1.597 8 residues pruned to eliminate duplicates Z: 8 16.386 1.975 0.761 0.714 1.000 0.857 N 1.466 8 residues pruned to eliminate duplicates Z: 28 28.718 2.064 1.078 0.453 0.889 0.630 CB 1.521 28 residues pruned to eliminate duplicates Z: 11 16.936 1.914 0.531 0.876 1.000 0.800 CB 1.328 11 residues pruned to eliminate duplicates Z: 25 24.164 2.022 0.925 0.512 0.875 0.583 CB 1.431 25 residues pruned to eliminate duplicates Z: 61 45.976 2.221 0.965 0.481 0.883 0.650 CB 1.570 41 residues pruned to eliminate duplicates Z: 13 9.044 1.975 0.791 0.207 0.750 0.583 CA 1.391 13 residues pruned to eliminate duplicates Z: 6 3.071 1.583 0.358 0.629 0.800 0.400 CB 0.707 Z: 8 6.136 1.938 0.684 0.498 0.857 0.714 CB 0.831 Z: 18 16.755 2.070 0.941 0.377 0.824 0.471 CB 1.400 18 residues pruned to eliminate duplicates Z: 8 7.686 1.980 0.891 0.355 0.857 0.571 CB 1.059 6 residues pruned to eliminate duplicates Z: 12 15.311 2.154 0.728 0.389 0.909 0.727 CB 1.535 12 residues pruned to eliminate duplicates Z: 23 15.300 1.867 0.875 0.381 0.727 0.364 CB 1.455 23 residues pruned to eliminate duplicates Z: 10 2.738 1.656 0.318 0.163 0.556 0.333 CB 1.134 Z: 6 5.029 1.644 0.910 0.296 0.800 0.400 CB 1.125 Z: 25 27.931 2.209 1.042 0.429 0.792 0.583 CB 1.718 25 residues pruned to eliminate duplicates Z: 9 5.821 2.162 0.620 0.223 0.625 0.500 CB 1.301 Z: 6 6.778 1.902 0.558 0.393 1.000 0.800 CB 1.145 6 residues pruned to eliminate duplicates Z: 18 14.860 1.848 0.913 0.400 0.824 0.529 CB 1.376 18 residues pruned to eliminate duplicates Z: 68 57.689 2.220 1.161 0.478 0.925 0.582 CB 1.623 68 residues pruned to eliminate duplicates Z: 6 5.031 1.708 1.025 0.374 0.600 0.400 C 1.241 Z: 7 4.980 1.629 0.779 0.381 0.833 0.333 CB 0.955 7 residues pruned to eliminate duplicates Z: 9 5.837 1.593 0.652 0.423 0.750 0.500 CB 1.133 Z: 8 4.683 1.991 0.545 0.403 0.714 0.429 CB 0.891 8 residues pruned to eliminate duplicates Z: 7 14.028 2.140 0.764 0.728 0.833 0.667 CB 1.483 7 residues pruned to eliminate duplicates Z: 30 21.011 2.056 0.822 0.395 0.828 0.586 CB 1.406 51 residues pruned to eliminate duplicates Z: 16 15.825 2.007 0.866 0.440 0.733 0.667 CB 1.583 9 residues pruned to eliminate duplicates Z: 21 22.822 2.095 1.005 0.459 0.900 0.600 CB 1.408 Z: 25 31.056 2.285 1.071 0.436 0.917 0.708 CB 1.561 25 residues pruned to eliminate duplicates Z: 22 25.846 2.108 0.970 0.554 0.857 0.476 CB 1.503 34 residues pruned to eliminate duplicates Z: 10 13.322 1.820 0.770 0.794 0.778 0.667 CA 1.369 10 residues pruned to eliminate duplicates Z: 7 16.151 2.078 1.013 0.631 0.833 0.833 N 1.673 7 residues pruned to eliminate duplicates Z: 7 3.548 1.679 0.547 0.253 0.667 0.500 CB 1.110 Z: 29 32.616 2.003 1.047 0.670 0.893 0.607 CB 1.438 29 residues pruned to eliminate duplicates Z: 83 63.332 2.158 1.195 0.577 0.902 0.488 CB 1.519 83 residues pruned to eliminate duplicates Z: 9 7.326 1.651 0.399 0.580 0.875 0.375 N 1.187 Z: 16 35.988 2.183 1.127 0.874 0.933 0.733 CB 1.561 16 residues pruned to eliminate duplicates Z: 9 12.100 1.737 1.061 0.468 0.875 0.500 O 1.410 9 residues pruned to eliminate duplicates Z: 6 6.623 1.625 0.216 0.829 1.000 1.000 N 1.127 6 residues pruned to eliminate duplicates Z: 11 35.459 2.488 1.077 0.778 1.000 0.600 CA 1.698 11 residues pruned to eliminate duplicates Z: 12 3.802 1.574 0.473 0.355 0.818 0.545 CB 0.707 Z: 35 38.985 2.277 0.866 0.478 0.912 0.588 CB 1.766 35 residues pruned to eliminate duplicates Z: 10 5.789 1.691 0.541 0.537 0.667 0.556 O 1.071 Z: 12 29.298 2.214 0.975 0.912 0.909 0.455 CA 1.574 12 residues pruned to eliminate duplicates Z: 100 71.652 2.187 1.244 0.531 0.899 0.556 CB 1.583 100 residues pruned to eliminate duplicates Z: 13 8.092 1.803 0.996 0.371 0.583 0.583 CB 1.278 13 residues pruned to eliminate duplicates Z: 10 20.524 2.140 0.627 0.869 1.000 0.889 CA 1.435 10 residues pruned to eliminate duplicates Z: 9 4.148 1.629 0.455 0.336 0.750 0.625 CB 0.987 Z: 50 37.171 2.137 1.020 0.532 0.816 0.592 CB 1.461 50 residues pruned to eliminate duplicates Z: 44 52.586 2.314 1.172 0.509 0.930 0.698 CB 1.699 44 residues pruned to eliminate duplicates Z: 6 3.308 1.664 0.529 0.396 0.600 0.400 CB 1.081 Z: 6 5.191 1.513 0.789 0.457 0.800 0.800 O 1.120 Z: 17 7.572 1.836 0.357 0.300 0.875 0.250 CB 1.086 14 residues pruned to eliminate duplicates Z: 37 47.127 2.295 1.136 0.496 0.944 0.611 CB 1.704 37 residues pruned to eliminate duplicates Z: 31 47.203 2.266 1.244 0.584 0.967 0.667 CB 1.618 31 residues pruned to eliminate duplicates Z: 31 13.337 1.972 0.626 0.292 0.800 0.500 CB 1.199 31 residues pruned to eliminate duplicates Z: 26 25.883 2.189 0.904 0.433 0.800 0.520 CB 1.663 26 residues pruned to eliminate duplicates Z: 63 65.127 2.280 1.248 0.556 0.952 0.581 CB 1.606 63 residues pruned to eliminate duplicates Z: 9 5.227 1.375 0.262 0.545 1.000 0.625 O 1.020 Z: 15 12.040 1.903 0.612 0.356 0.857 0.429 CB 1.430 15 residues pruned to eliminate duplicates Z: 24 35.706 2.193 1.202 0.608 0.870 0.783 CB 1.601 24 residues pruned to eliminate duplicates Z: 15 33.476 2.203 1.083 0.858 0.929 0.857 CB 1.547 15 residues pruned to eliminate duplicates Z: 85 82.989 2.300 1.316 0.596 0.940 0.500 CB 1.649 88 residues pruned to eliminate duplicates Z: 22 19.205 2.106 0.806 0.329 0.952 0.524 CB 1.395 22 residues pruned to eliminate duplicates Z: 13 14.217 1.748 0.671 0.628 0.917 0.750 CB 1.359 13 residues pruned to eliminate duplicates Z: 16 31.469 1.979 1.167 0.858 0.933 0.333 CB 1.495 16 residues pruned to eliminate duplicates Z: 17 46.829 2.152 1.467 0.936 1.000 0.875 CB 1.536 17 residues pruned to eliminate duplicates Z: 20 21.688 2.019 0.857 0.530 0.842 0.316 CB 1.530 23 residues pruned to eliminate duplicates Z: 17 17.385 2.044 1.017 0.436 0.812 0.562 CB 1.386 23 residues pruned to eliminate duplicates Z: 14 9.558 1.824 0.730 0.443 0.769 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 30 40.338 2.308 1.120 0.569 0.897 0.621 CB 1.597 30 residues pruned to eliminate duplicates Z: 7 8.160 2.006 0.730 0.479 0.833 0.500 CB 1.176 7 residues pruned to eliminate duplicates Z: 87 46.180 2.120 0.932 0.468 0.837 0.512 CB 1.500 87 residues pruned to eliminate duplicates Z: 17 30.600 2.052 0.965 0.880 1.000 0.688 CB 1.375 17 residues pruned to eliminate duplicates Z: 31 28.953 2.155 0.838 0.526 0.900 0.567 CB 1.445 31 residues pruned to eliminate duplicates Z: 53 46.533 2.289 1.116 0.506 0.846 0.538 CB 1.566 53 residues pruned to eliminate duplicates Z: 13 8.377 2.050 0.323 0.313 0.833 0.417 CB 1.317 13 residues pruned to eliminate duplicates Z: 9 6.627 1.618 0.694 0.401 0.875 0.625 CB 1.085 Z: 28 25.220 2.064 0.918 0.431 0.815 0.593 CB 1.617 28 residues pruned to eliminate duplicates Z: 43 40.670 2.181 1.040 0.478 0.905 0.524 CB 1.593 43 residues pruned to eliminate duplicates Z: 17 25.945 2.094 1.217 0.529 0.875 0.688 CB 1.551 17 residues pruned to eliminate duplicates Z: 13 11.714 1.948 0.488 0.494 0.750 0.500 CB 1.564 13 residues pruned to eliminate duplicates Z: 6 5.149 1.549 0.767 0.591 0.800 0.600 N 0.964 Z: 6 3.612 1.699 0.236 0.440 0.800 0.600 CB 1.023 Z: 89 68.558 2.232 1.242 0.545 0.920 0.602 CB 1.518 89 residues pruned to eliminate duplicates Z: 85 67.726 2.267 1.061 0.530 0.929 0.595 CB 1.654 86 residues pruned to eliminate duplicates Z: 18 8.358 1.784 0.692 0.271 0.765 0.412 CB 1.139 18 residues pruned to eliminate duplicates Z: 7 5.947 1.752 0.712 0.624 0.833 0.667 CB 0.864 Z: 21 31.458 2.145 1.330 0.467 0.850 0.450 CA 1.713 21 residues pruned to eliminate duplicates Z: 8 3.608 1.226 0.935 0.673 0.857 0.286 CB 0.572 Z: 7 2.438 1.372 0.436 0.515 0.667 0.500 N 0.747 Z: 13 12.968 2.155 0.458 0.488 0.833 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 13 24.178 1.888 1.281 0.796 0.917 0.667 CA 1.365 13 residues pruned to eliminate duplicates Z: 16 18.677 2.082 0.744 0.480 0.867 0.733 CA 1.563 16 residues pruned to eliminate duplicates Z: 16 19.485 2.007 0.980 0.514 0.800 0.733 CA 1.561 16 residues pruned to eliminate duplicates Z: 24 33.199 2.134 1.092 0.556 0.913 0.609 CB 1.608 24 residues pruned to eliminate duplicates Z: 6 4.590 1.803 0.417 0.271 0.800 0.600 CB 1.303 Z: 19 10.038 1.640 0.760 0.425 0.667 0.556 CB 1.329 24 residues pruned to eliminate duplicates Z: 7 9.081 1.803 0.879 0.607 1.000 0.667 CA 0.988 7 residues pruned to eliminate duplicates Z: 73 53.950 2.207 1.068 0.496 0.903 0.486 CB 1.550 73 residues pruned to eliminate duplicates Z: 9 9.478 2.058 0.293 0.510 0.875 0.500 CB 1.426 9 residues pruned to eliminate duplicates Z: 16 41.564 2.232 1.240 0.896 1.000 0.800 CA 1.537 16 residues pruned to eliminate duplicates Z: 9 11.480 1.920 0.927 0.544 0.750 0.375 CB 1.401 9 residues pruned to eliminate duplicates Z: 9 9.990 1.871 0.936 0.429 0.875 0.500 CB 1.199 6 residues pruned to eliminate duplicates Z: 43 43.866 2.072 1.032 0.605 0.929 0.667 CB 1.567 43 residues pruned to eliminate duplicates Z: 8 3.709 1.581 0.632 0.330 0.714 0.571 CA 0.917 8 residues pruned to eliminate duplicates Z: 19 29.818 2.165 1.037 0.542 0.889 0.611 CA 1.722 19 residues pruned to eliminate duplicates Z: 36 32.580 2.174 1.039 0.424 0.857 0.514 CB 1.569 36 residues pruned to eliminate duplicates Z: 17 17.729 1.966 1.014 0.458 0.875 0.375 CB 1.335 17 residues pruned to eliminate duplicates Z: 45 54.752 2.282 1.274 0.585 0.932 0.614 CB 1.572 45 residues pruned to eliminate duplicates Z: 7 11.552 1.909 0.619 0.651 1.000 0.833 N 1.325 Z: 7 8.934 1.659 0.232 0.810 1.000 1.000 CB 1.363 7 residues pruned to eliminate duplicates Z: 8 10.359 1.677 0.479 0.743 1.000 0.571 O 1.270 8 residues pruned to eliminate duplicates Z: 7 2.068 1.309 0.269 0.288 0.833 0.333 N 0.774 Z: 6 2.019 1.567 0.381 0.427 0.600 0.400 CB 0.750 Z: 20 13.059 2.071 0.704 0.423 0.842 0.421 CB 1.092 20 residues pruned to eliminate duplicates Z: 25 32.853 2.214 1.051 0.675 0.833 0.250 CB 1.508 25 residues pruned to eliminate duplicates Z: 8 6.738 1.735 0.554 0.569 0.857 0.429 CB 1.031 Z: 14 34.223 2.243 1.122 0.879 0.923 0.769 CA 1.567 14 residues pruned to eliminate duplicates Z: 49 44.862 2.265 1.098 0.523 0.854 0.625 CB 1.560 49 residues pruned to eliminate duplicates Z: 24 11.618 1.946 0.792 0.367 0.783 0.478 CB 1.024 24 residues pruned to eliminate duplicates Z: 6 3.140 1.526 0.561 0.491 0.600 0.600 N 0.991 Z: 12 24.668 2.064 1.072 0.887 1.000 0.909 CA 1.254 12 residues pruned to eliminate duplicates Z: 9 8.153 1.576 0.815 0.449 0.875 0.750 C 1.213 Z: 44 43.157 2.220 1.092 0.567 0.837 0.535 CB 1.587 44 residues pruned to eliminate duplicates Z: 8 17.602 2.142 1.395 0.760 0.714 0.429 CA 1.441 8 residues pruned to eliminate duplicates 798 residues left after pruning, divided into chains as follows: A: 197 B: 141 C: 14 D: 189 E: 46 F: 12 G: 18 H: 52 I: 8 J: 121 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 40.45 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.784, Connect. = 0.746 for dens.mod. cycle 1 = 0.300, Contrast = 0.921, Connect. = 0.778 for dens.mod. cycle 2 = 0.300, Contrast = 1.107, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 1.144, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 1.170, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 1.178, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 1.185, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 1.185, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 1.184, Connect. = 0.807 for dens.mod. cycle 9 = 0.300, Contrast = 1.180, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4992 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1040 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 43.572 2.398 0.834 0.894 0.938 0.750 CA 1.895 B: 33 32.124 2.281 1.022 0.466 0.812 0.594 CB 1.569 C: 17 47.991 2.409 0.985 0.873 1.000 0.812 CA 1.827 17 residues pruned to eliminate duplicates D: 17 45.017 2.512 0.911 0.840 0.938 0.500 CA 1.866 18 residues pruned to eliminate duplicates E: 17 44.679 2.366 1.220 0.888 1.000 0.750 CB 1.532 F: 16 44.772 2.645 0.891 0.822 0.867 0.667 CA 2.017 16 residues pruned to eliminate duplicates G: 9 16.111 2.267 1.094 0.615 0.625 0.250 N 1.722 H: 17 44.509 2.374 1.192 0.856 0.938 0.625 CB 1.682 17 residues pruned to eliminate duplicates I: 11 31.246 2.558 1.236 0.656 0.800 0.500 CB 1.868 9 residues pruned to eliminate duplicates J: 12 54.943 2.588 1.286 0.927 1.000 1.000 CA 1.962 K: 16 54.788 2.596 1.079 0.864 0.933 0.667 CA 2.059 16 residues pruned to eliminate duplicates L: 15 38.857 2.609 0.684 0.866 0.857 0.643 CB 2.019 15 residues pruned to eliminate duplicates M: 17 42.455 2.470 0.842 0.892 0.938 0.500 CA 1.788 17 residues pruned to eliminate duplicates N: 12 57.501 2.487 1.658 0.891 1.000 0.727 CB 1.885 12 residues pruned to eliminate duplicates O: 10 29.313 2.694 0.817 0.657 0.889 0.556 CB 1.940 10 residues pruned to eliminate duplicates P: 16 54.468 2.636 0.998 0.876 1.000 0.733 CA 1.941 16 residues pruned to eliminate duplicates Q: 12 44.573 2.365 1.395 0.888 1.000 0.818 CB 1.709 18 residues pruned to eliminate duplicates R: 12 42.681 2.468 0.875 0.921 1.000 1.000 CA 1.958 11 residues pruned to eliminate duplicates S: 19 22.204 2.183 0.822 0.406 0.889 0.611 CA 1.634 17 residues pruned to eliminate duplicates T: 16 33.867 2.245 1.009 0.870 0.867 0.667 CA 1.632 U: 16 50.271 2.474 1.402 0.913 0.933 0.667 CB 1.656 17 residues pruned to eliminate duplicates V: 18 36.377 2.308 0.970 0.879 0.941 0.647 CB 1.495 17 residues pruned to eliminate duplicates W: 7 16.598 1.759 1.266 0.770 1.000 0.333 CA 1.339 X: 14 29.357 2.290 1.073 0.719 0.923 0.538 CB 1.524 14 residues pruned to eliminate duplicates Y: 13 40.267 2.319 1.267 0.848 1.000 0.750 CB 1.640 Z: 12 46.554 2.526 1.036 0.915 1.000 1.000 CA 1.928 12 residues pruned to eliminate duplicates Z: 13 42.403 2.325 1.075 0.922 1.000 0.833 CA 1.785 13 residues pruned to eliminate duplicates Z: 50 36.721 2.204 0.935 0.421 0.857 0.449 CB 1.557 Z: 16 41.586 2.376 0.939 0.845 0.933 0.733 CB 1.857 Z: 11 17.129 1.928 0.579 0.861 1.000 0.700 CB 1.307 Z: 39 32.185 2.216 0.840 0.441 0.868 0.526 CB 1.566 Z: 16 45.249 2.416 0.934 0.871 1.000 0.667 CA 1.824 Z: 9 15.117 2.445 0.800 0.607 0.625 0.375 CA 1.755 9 residues pruned to eliminate duplicates Z: 29 42.621 2.347 1.015 0.593 0.964 0.571 CB 1.615 13 residues pruned to eliminate duplicates Z: 12 49.400 2.494 1.085 0.937 1.000 1.000 CA 1.994 12 residues pruned to eliminate duplicates Z: 13 32.102 2.264 0.744 0.908 1.000 0.917 CA 1.668 13 residues pruned to eliminate duplicates Z: 16 39.518 2.376 0.692 0.868 1.000 0.933 CB 1.854 16 residues pruned to eliminate duplicates Z: 16 29.160 2.202 0.800 0.858 0.933 0.800 CA 1.499 Z: 9 14.393 2.101 0.553 0.816 0.875 0.625 CA 1.354 9 residues pruned to eliminate duplicates Z: 17 46.577 2.382 1.226 0.910 1.000 0.750 CB 1.558 17 residues pruned to eliminate duplicates Z: 13 29.469 2.217 1.364 0.871 0.833 0.667 CA 1.420 13 residues pruned to eliminate duplicates Z: 16 44.588 2.456 1.179 0.877 0.933 0.733 CA 1.673 16 residues pruned to eliminate duplicates Z: 17 40.553 2.396 1.315 0.907 0.812 0.750 CB 1.598 17 residues pruned to eliminate duplicates Z: 17 40.728 2.253 1.085 0.863 0.938 0.812 CB 1.696 Z: 17 47.118 2.448 1.260 0.837 0.875 0.438 CA 1.819 17 residues pruned to eliminate duplicates Z: 13 27.282 2.252 0.963 0.723 0.917 0.667 CA 1.590 12 residues pruned to eliminate duplicates Z: 12 35.476 2.334 1.485 0.926 0.909 0.455 CB 1.422 12 residues pruned to eliminate duplicates Z: 41 46.075 2.363 1.023 0.541 0.875 0.500 CB 1.673 18 residues pruned to eliminate duplicates Z: 17 38.756 2.269 0.954 0.860 1.000 0.625 CB 1.608 16 residues pruned to eliminate duplicates Z: 11 32.739 2.591 0.552 0.935 1.000 0.900 CA 1.795 11 residues pruned to eliminate duplicates Z: 81 62.753 2.238 1.023 0.518 0.913 0.525 CB 1.668 18 residues pruned to eliminate duplicates Z: 14 39.913 2.326 1.212 0.908 1.000 0.692 CB 1.528 14 residues pruned to eliminate duplicates Z: 12 27.308 2.188 0.744 0.893 1.000 0.909 CA 1.549 Z: 17 43.511 2.295 1.092 0.892 0.938 0.812 CB 1.736 17 residues pruned to eliminate duplicates Z: 12 33.147 2.419 0.976 0.911 0.909 0.909 CA 1.630 12 residues pruned to eliminate duplicates Z: 13 48.362 2.299 1.353 0.914 1.000 0.333 CB 1.825 13 residues pruned to eliminate duplicates Z: 17 39.327 2.197 1.121 0.869 0.938 0.875 CA 1.644 16 residues pruned to eliminate duplicates Z: 15 29.982 2.291 0.943 0.831 1.000 0.714 CA 1.352 15 residues pruned to eliminate duplicates Z: 21 31.286 2.274 0.917 0.567 0.900 0.650 CA 1.671 Z: 14 28.898 2.084 1.221 0.840 1.000 0.769 CB 1.293 Z: 17 33.900 2.210 0.975 0.848 0.875 0.438 CA 1.646 17 residues pruned to eliminate duplicates Z: 7 10.344 2.112 0.957 0.531 0.833 0.500 CA 1.189 7 residues pruned to eliminate duplicates Z: 15 34.346 2.406 0.934 0.556 1.000 0.500 CA 1.869 17 residues pruned to eliminate duplicates Z: 13 36.266 2.302 1.271 0.891 0.833 0.583 CA 1.728 13 residues pruned to eliminate duplicates Z: 16 43.241 2.454 1.214 0.781 0.933 0.600 CB 1.718 16 residues pruned to eliminate duplicates Z: 38 55.963 2.450 1.277 0.583 0.946 0.595 CB 1.610 24 residues pruned to eliminate duplicates Z: 15 25.812 2.197 0.603 0.826 0.929 0.857 CB 1.591 15 residues pruned to eliminate duplicates Z: 17 43.395 2.392 1.169 0.890 0.938 0.812 CB 1.604 17 residues pruned to eliminate duplicates Z: 16 27.518 2.312 1.003 0.558 0.867 0.533 CB 1.672 Z: 13 28.893 2.105 1.098 0.830 1.000 0.833 CA 1.420 13 residues pruned to eliminate duplicates Z: 16 37.058 2.360 0.663 0.861 1.000 0.800 CB 1.791 16 residues pruned to eliminate duplicates Z: 17 36.862 2.235 0.956 0.860 0.938 0.750 CA 1.653 17 residues pruned to eliminate duplicates Z: 18 41.879 2.220 1.165 0.798 0.941 0.647 CA 1.730 18 residues pruned to eliminate duplicates Z: 12 35.097 2.312 1.285 0.915 0.909 0.909 CA 1.558 12 residues pruned to eliminate duplicates Z: 14 26.204 2.055 0.850 0.860 1.000 0.769 CA 1.406 14 residues pruned to eliminate duplicates Z: 12 41.981 2.463 1.268 0.897 1.000 0.727 CB 1.623 12 residues pruned to eliminate duplicates Z: 12 9.692 2.159 0.817 0.319 0.727 0.364 CB 1.251 12 residues pruned to eliminate duplicates Z: 7 16.714 1.947 1.033 0.641 1.000 0.500 CB 1.512 7 residues pruned to eliminate duplicates Z: 36 35.119 2.095 1.118 0.581 0.829 0.343 CB 1.494 36 residues pruned to eliminate duplicates Z: 122 80.568 2.342 0.992 0.517 0.917 0.570 CB 1.684 105 residues pruned to eliminate duplicates Z: 111 65.679 2.192 0.970 0.549 0.918 0.536 CB 1.506 82 residues pruned to eliminate duplicates Z: 12 48.274 2.336 1.401 0.908 1.000 0.636 CB 1.843 12 residues pruned to eliminate duplicates Z: 7 11.084 1.849 0.807 0.654 1.000 0.500 CA 1.174 Z: 16 37.529 2.353 0.810 0.822 0.933 0.733 CB 1.844 16 residues pruned to eliminate duplicates Z: 7 26.840 2.342 1.538 0.693 0.833 0.333 CB 1.855 Z: 14 32.056 2.346 1.124 0.881 0.846 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 30 25.520 2.230 0.826 0.412 0.828 0.517 CB 1.542 10 residues pruned to eliminate duplicates Z: 17 49.983 2.382 1.340 0.927 1.000 0.562 CB 1.571 17 residues pruned to eliminate duplicates Z: 12 36.830 2.208 1.264 0.904 1.000 0.818 CA 1.582 12 residues pruned to eliminate duplicates Z: 7 4.800 2.106 0.579 0.634 0.500 0.500 CA 1.040 7 residues pruned to eliminate duplicates Z: 14 33.437 2.140 1.028 0.932 1.000 0.769 CA 1.492 14 residues pruned to eliminate duplicates Z: 33 39.113 2.335 1.152 0.484 0.844 0.562 CB 1.657 34 residues pruned to eliminate duplicates Z: 12 29.551 2.214 0.869 0.878 1.000 0.818 CA 1.563 12 residues pruned to eliminate duplicates Z: 39 30.715 2.225 0.824 0.439 0.895 0.500 CB 1.462 39 residues pruned to eliminate duplicates Z: 21 29.281 2.315 0.860 0.486 0.900 0.600 CB 1.713 21 residues pruned to eliminate duplicates Z: 27 28.471 2.136 0.877 0.532 0.846 0.423 CB 1.595 27 residues pruned to eliminate duplicates Z: 19 37.833 2.334 1.153 0.822 0.833 0.500 CB 1.610 19 residues pruned to eliminate duplicates Z: 15 31.330 2.285 0.783 0.849 1.000 0.786 CA 1.524 15 residues pruned to eliminate duplicates Z: 14 41.046 2.378 0.908 0.866 1.000 0.769 CA 1.837 14 residues pruned to eliminate duplicates Z: 7 9.128 1.749 0.731 0.636 0.833 0.500 CA 1.301 Z: 14 36.119 2.259 0.821 0.926 1.000 0.615 CA 1.708 14 residues pruned to eliminate duplicates Z: 12 38.475 2.270 1.288 0.865 1.000 0.636 CA 1.637 12 residues pruned to eliminate duplicates Z: 13 46.301 2.403 1.116 0.895 1.000 0.833 CA 1.884 13 residues pruned to eliminate duplicates Z: 31 40.718 2.304 1.214 0.526 0.900 0.567 CB 1.578 31 residues pruned to eliminate duplicates Z: 15 11.217 1.866 0.678 0.495 0.857 0.643 CB 1.123 Z: 40 32.931 2.210 0.964 0.410 0.872 0.564 CB 1.532 Z: 11 18.507 2.062 0.462 0.900 1.000 1.000 CB 1.387 11 residues pruned to eliminate duplicates Z: 17 20.531 2.335 0.781 0.504 0.750 0.312 CA 1.638 17 residues pruned to eliminate duplicates Z: 14 29.456 2.343 0.513 0.858 0.923 0.769 CA 1.839 14 residues pruned to eliminate duplicates Z: 14 41.252 2.322 1.118 0.915 1.000 0.692 CB 1.644 14 residues pruned to eliminate duplicates Z: 13 43.459 2.401 1.369 0.851 0.917 0.417 CA 1.781 13 residues pruned to eliminate duplicates Z: 16 37.489 2.370 0.832 0.893 0.933 0.733 CA 1.715 16 residues pruned to eliminate duplicates Z: 15 15.550 2.251 0.607 0.295 0.929 0.500 CB 1.556 Z: 22 32.669 2.268 1.102 0.475 0.952 0.571 CB 1.610 22 residues pruned to eliminate duplicates Z: 14 23.541 2.091 0.856 0.831 0.923 0.769 CB 1.369 14 residues pruned to eliminate duplicates Z: 28 22.163 2.286 0.719 0.346 0.815 0.519 CB 1.576 28 residues pruned to eliminate duplicates Z: 14 44.583 2.184 1.588 0.909 0.923 0.769 CB 1.682 14 residues pruned to eliminate duplicates Z: 101 76.392 2.290 1.121 0.518 0.920 0.510 CB 1.679 98 residues pruned to eliminate duplicates Z: 12 14.466 2.041 0.634 0.538 0.909 0.636 CB 1.385 Z: 10 10.267 1.876 0.579 0.400 0.889 0.778 N 1.444 Z: 25 26.974 2.212 0.961 0.446 0.833 0.625 CB 1.611 25 residues pruned to eliminate duplicates Z: 17 37.019 2.191 1.090 0.847 0.875 0.438 CB 1.715 17 residues pruned to eliminate duplicates Z: 13 29.635 2.249 0.702 0.898 1.000 0.583 CA 1.598 13 residues pruned to eliminate duplicates Z: 29 25.596 2.199 0.904 0.396 0.821 0.464 CB 1.570 29 residues pruned to eliminate duplicates Z: 17 34.045 2.252 0.857 0.855 1.000 0.625 CA 1.502 17 residues pruned to eliminate duplicates Z: 66 48.885 2.278 0.933 0.516 0.862 0.508 CB 1.573 66 residues pruned to eliminate duplicates Z: 23 18.844 2.209 0.910 0.305 0.818 0.409 CB 1.445 27 residues pruned to eliminate duplicates Z: 14 32.733 2.303 0.971 0.902 0.923 0.538 CB 1.545 14 residues pruned to eliminate duplicates Z: 19 40.000 2.128 1.188 0.873 1.000 0.833 CA 1.475 19 residues pruned to eliminate duplicates Z: 13 32.521 2.121 0.936 0.931 1.000 0.833 CB 1.598 13 residues pruned to eliminate duplicates Z: 24 36.299 2.329 0.982 0.614 0.957 0.565 CB 1.538 24 residues pruned to eliminate duplicates Z: 19 20.747 2.019 0.786 0.510 0.944 0.389 CB 1.422 19 residues pruned to eliminate duplicates Z: 25 48.184 2.350 1.287 0.650 0.917 0.625 CB 1.736 18 residues pruned to eliminate duplicates Z: 11 25.151 2.200 0.849 0.887 1.000 0.900 CA 1.410 Z: 53 57.386 2.332 1.108 0.536 0.942 0.538 CB 1.658 53 residues pruned to eliminate duplicates Z: 17 45.538 2.268 1.103 0.847 1.000 0.562 CA 1.772 17 residues pruned to eliminate duplicates Z: 37 35.567 2.272 0.851 0.476 0.917 0.556 CB 1.577 39 residues pruned to eliminate duplicates Z: 18 25.486 2.243 0.909 0.584 0.824 0.412 CB 1.616 16 residues pruned to eliminate duplicates Z: 20 16.085 2.201 0.436 0.377 0.895 0.526 CB 1.488 13 residues pruned to eliminate duplicates Z: 7 5.489 2.086 1.102 0.640 0.667 0.500 CB 0.673 Z: 38 32.643 2.173 0.779 0.545 0.892 0.459 CB 1.489 12 residues pruned to eliminate duplicates Z: 12 25.357 2.242 1.370 0.668 0.727 0.364 CB 1.694 14 residues pruned to eliminate duplicates Z: 13 35.722 2.352 1.435 0.844 0.833 0.667 CA 1.608 13 residues pruned to eliminate duplicates Z: 11 28.842 2.088 0.957 0.890 1.000 0.800 CB 1.606 Z: 15 22.817 2.129 1.121 0.490 0.857 0.500 CB 1.591 Z: 13 33.294 2.298 1.153 0.872 0.917 0.583 CA 1.545 13 residues pruned to eliminate duplicates Z: 12 19.511 1.987 0.531 0.879 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 17 34.996 2.159 0.999 0.822 0.875 0.750 CA 1.753 17 residues pruned to eliminate duplicates Z: 46 50.420 2.474 1.050 0.498 0.889 0.578 CB 1.671 46 residues pruned to eliminate duplicates Z: 15 33.920 2.311 1.035 0.864 0.929 0.643 CB 1.522 15 residues pruned to eliminate duplicates Z: 9 15.142 2.245 1.352 0.567 0.625 0.250 CA 1.520 9 residues pruned to eliminate duplicates Z: 25 27.213 2.296 1.086 0.410 0.833 0.458 CB 1.529 25 residues pruned to eliminate duplicates Z: 12 23.487 2.228 0.830 0.832 0.909 0.727 CA 1.434 12 residues pruned to eliminate duplicates Z: 17 18.361 2.039 0.871 0.421 0.812 0.625 CB 1.607 7 residues pruned to eliminate duplicates Z: 9 13.368 1.928 1.062 0.728 0.750 0.500 CA 1.291 Z: 24 35.437 2.396 1.142 0.402 0.870 0.478 CA 1.836 25 residues pruned to eliminate duplicates Z: 14 24.367 1.994 0.773 0.897 1.000 0.846 CB 1.368 14 residues pruned to eliminate duplicates Z: 12 36.573 2.177 1.380 0.864 1.000 0.818 CA 1.561 12 residues pruned to eliminate duplicates Z: 11 37.212 2.500 0.964 0.895 1.000 0.900 CA 1.718 11 residues pruned to eliminate duplicates Z: 16 18.143 2.137 1.014 0.476 0.867 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 31 21.475 2.032 0.832 0.492 0.867 0.433 CB 1.225 41 residues pruned to eliminate duplicates Z: 21 26.805 2.278 0.864 0.475 0.900 0.650 CB 1.608 Z: 12 36.027 2.240 1.245 0.918 1.000 0.909 CB 1.523 12 residues pruned to eliminate duplicates Z: 13 43.942 2.376 1.496 0.865 1.000 0.583 CB 1.567 13 residues pruned to eliminate duplicates Z: 9 15.978 1.969 0.776 0.745 0.875 0.500 CA 1.483 9 residues pruned to eliminate duplicates Z: 15 33.249 2.227 1.088 0.895 0.929 0.714 CB 1.475 15 residues pruned to eliminate duplicates Z: 35 20.776 2.187 0.856 0.341 0.765 0.412 CB 1.365 27 residues pruned to eliminate duplicates Z: 18 26.282 2.141 0.846 0.780 0.824 0.588 CB 1.530 18 residues pruned to eliminate duplicates Z: 16 44.274 2.412 0.889 0.902 1.000 0.867 CA 1.790 16 residues pruned to eliminate duplicates Z: 40 33.757 2.259 0.943 0.406 0.897 0.564 CB 1.515 41 residues pruned to eliminate duplicates Z: 13 31.065 2.129 1.002 0.915 1.000 0.750 CB 1.486 13 residues pruned to eliminate duplicates Z: 12 45.308 2.285 1.604 0.908 1.000 0.727 CB 1.631 12 residues pruned to eliminate duplicates Z: 36 32.927 2.231 0.985 0.406 0.829 0.600 CB 1.673 57 residues pruned to eliminate duplicates Z: 24 22.826 2.188 0.770 0.430 0.826 0.565 CB 1.600 24 residues pruned to eliminate duplicates Z: 34 34.902 2.143 1.022 0.520 0.939 0.636 CB 1.464 17 residues pruned to eliminate duplicates Z: 16 38.034 2.291 0.860 0.874 1.000 0.800 CA 1.677 16 residues pruned to eliminate duplicates Z: 84 56.860 2.341 0.956 0.488 0.855 0.494 CB 1.613 90 residues pruned to eliminate duplicates Z: 24 43.204 2.323 1.132 0.651 0.913 0.696 CB 1.731 24 residues pruned to eliminate duplicates Z: 19 18.184 2.228 0.570 0.424 0.889 0.500 CB 1.493 19 residues pruned to eliminate duplicates Z: 31 21.853 2.017 0.687 0.414 0.900 0.433 CB 1.425 31 residues pruned to eliminate duplicates Z: 11 49.194 2.451 1.344 0.915 1.000 1.000 CB 1.913 11 residues pruned to eliminate duplicates Z: 15 42.710 2.464 1.066 0.922 1.000 0.857 CB 1.577 15 residues pruned to eliminate duplicates Z: 13 49.896 2.321 1.481 0.910 1.000 0.583 CB 1.774 13 residues pruned to eliminate duplicates Z: 13 25.312 2.244 1.252 0.617 0.750 0.167 CA 1.726 13 residues pruned to eliminate duplicates Z: 33 35.650 2.309 0.885 0.527 0.906 0.688 CB 1.557 33 residues pruned to eliminate duplicates Z: 11 46.666 2.552 1.309 0.931 1.000 1.000 CB 1.750 11 residues pruned to eliminate duplicates Z: 42 34.700 2.260 0.817 0.436 0.927 0.512 CB 1.521 37 residues pruned to eliminate duplicates Z: 41 36.373 2.176 0.954 0.474 0.900 0.350 CB 1.543 40 residues pruned to eliminate duplicates Z: 18 18.723 2.169 1.026 0.354 0.765 0.471 CB 1.583 18 residues pruned to eliminate duplicates Z: 21 21.153 2.186 0.535 0.456 0.950 0.500 CB 1.552 21 residues pruned to eliminate duplicates Z: 10 17.127 2.161 0.692 0.873 0.778 0.778 CA 1.462 10 residues pruned to eliminate duplicates Z: 12 18.522 2.055 1.034 0.473 0.818 0.727 CB 1.678 12 residues pruned to eliminate duplicates Z: 16 60.350 2.647 1.126 0.875 1.000 0.600 CA 2.013 16 residues pruned to eliminate duplicates Z: 12 21.989 2.302 0.708 0.489 1.000 0.818 CB 1.705 12 residues pruned to eliminate duplicates Z: 50 60.666 2.372 1.095 0.581 0.918 0.633 CB 1.757 57 residues pruned to eliminate duplicates Z: 17 39.884 2.264 0.917 0.871 1.000 0.812 CA 1.675 17 residues pruned to eliminate duplicates Z: 13 44.917 2.482 1.440 0.867 0.917 0.917 CB 1.708 13 residues pruned to eliminate duplicates Z: 54 45.234 2.235 1.149 0.423 0.868 0.472 CB 1.615 53 residues pruned to eliminate duplicates Z: 84 63.214 2.352 0.996 0.524 0.855 0.542 CB 1.688 60 residues pruned to eliminate duplicates Z: 33 21.733 2.205 0.527 0.438 0.781 0.500 CB 1.557 35 residues pruned to eliminate duplicates Z: 10 15.738 1.824 1.171 0.811 0.889 0.667 CA 1.137 10 residues pruned to eliminate duplicates Z: 15 31.866 2.267 1.155 0.871 0.929 0.857 CA 1.370 15 residues pruned to eliminate duplicates Z: 13 43.298 2.364 1.111 0.912 1.000 0.583 CB 1.774 13 residues pruned to eliminate duplicates Z: 6 7.850 1.806 0.282 0.789 1.000 1.000 CA 1.177 6 residues pruned to eliminate duplicates Z: 8 15.931 2.119 0.477 0.839 0.857 0.714 CA 1.677 8 residues pruned to eliminate duplicates Z: 15 33.667 2.292 0.870 0.885 1.000 0.786 CA 1.516 15 residues pruned to eliminate duplicates Z: 13 28.242 2.165 0.922 0.842 0.917 0.833 CA 1.594 13 residues pruned to eliminate duplicates Z: 14 34.128 2.228 1.196 0.836 0.923 0.692 CA 1.568 14 residues pruned to eliminate duplicates Z: 6 10.573 2.010 0.731 0.799 1.000 0.800 CA 1.046 6 residues pruned to eliminate duplicates Z: 11 20.359 2.082 0.825 0.808 1.000 0.700 CA 1.296 11 residues pruned to eliminate duplicates Z: 18 43.373 2.159 1.132 0.876 1.000 0.765 CA 1.660 18 residues pruned to eliminate duplicates Z: 19 18.397 1.940 0.756 0.543 0.833 0.444 CB 1.464 19 residues pruned to eliminate duplicates Z: 45 33.152 2.272 0.872 0.523 0.818 0.591 CB 1.404 45 residues pruned to eliminate duplicates Z: 18 33.498 2.218 1.050 0.863 0.882 0.588 CA 1.486 18 residues pruned to eliminate duplicates Z: 18 10.444 1.958 0.679 0.297 0.706 0.412 CB 1.370 18 residues pruned to eliminate duplicates Z: 16 19.395 2.318 0.723 0.433 0.800 0.733 CB 1.679 16 residues pruned to eliminate duplicates Z: 86 61.069 2.360 0.935 0.515 0.871 0.506 CB 1.641 85 residues pruned to eliminate duplicates Z: 15 39.105 2.303 1.072 0.901 1.000 0.714 CA 1.563 15 residues pruned to eliminate duplicates Z: 22 31.732 2.301 0.959 0.497 0.857 0.524 CA 1.798 22 residues pruned to eliminate duplicates Z: 7 9.090 2.256 0.612 0.575 0.667 0.500 CB 1.424 7 residues pruned to eliminate duplicates Z: 12 46.921 2.263 1.610 0.929 1.000 0.909 CB 1.676 12 residues pruned to eliminate duplicates Z: 12 23.019 2.039 0.800 0.857 1.000 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 13 22.067 1.823 0.743 0.901 1.000 0.833 CA 1.431 12 residues pruned to eliminate duplicates Z: 10 7.126 2.005 0.718 0.345 0.556 0.333 CA 1.469 10 residues pruned to eliminate duplicates Z: 12 30.163 2.184 1.238 0.826 0.909 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 8 6.782 1.753 0.990 0.222 0.714 0.429 CB 1.426 8 residues pruned to eliminate duplicates Z: 12 35.270 2.381 0.802 0.911 1.000 0.818 CA 1.756 12 residues pruned to eliminate duplicates Z: 17 21.871 2.269 0.732 0.330 0.938 0.500 CB 1.787 17 residues pruned to eliminate duplicates Z: 55 50.642 2.368 0.984 0.485 0.870 0.630 CB 1.711 55 residues pruned to eliminate duplicates Z: 12 52.790 2.426 1.530 0.920 1.000 0.455 CB 1.826 12 residues pruned to eliminate duplicates Z: 44 47.089 2.235 1.116 0.510 0.907 0.581 CB 1.657 41 residues pruned to eliminate duplicates Z: 20 24.168 2.200 0.773 0.414 0.947 0.632 CB 1.642 20 residues pruned to eliminate duplicates Z: 14 30.972 2.189 1.480 0.771 0.846 0.692 CB 1.472 14 residues pruned to eliminate duplicates Z: 108 64.879 2.280 1.026 0.508 0.832 0.477 CB 1.620 108 residues pruned to eliminate duplicates Z: 16 43.343 2.307 0.980 0.878 1.000 0.733 CA 1.778 16 residues pruned to eliminate duplicates Z: 11 17.108 2.103 0.767 0.441 1.000 0.500 CB 1.548 Z: 96 67.225 2.306 1.096 0.520 0.874 0.600 CB 1.601 96 residues pruned to eliminate duplicates Z: 16 22.933 2.356 0.540 0.519 0.933 0.600 CB 1.716 16 residues pruned to eliminate duplicates Z: 10 21.904 2.155 1.268 0.678 0.778 0.444 CB 1.631 10 residues pruned to eliminate duplicates Z: 37 41.387 2.293 1.138 0.466 0.917 0.583 CB 1.588 25 residues pruned to eliminate duplicates Z: 16 39.767 2.337 0.845 0.897 1.000 0.800 CB 1.705 16 residues pruned to eliminate duplicates Z: 74 59.987 2.366 0.918 0.502 0.918 0.521 CB 1.681 74 residues pruned to eliminate duplicates Z: 73 53.998 2.310 1.039 0.472 0.833 0.514 CB 1.668 73 residues pruned to eliminate duplicates Z: 17 16.976 2.163 0.860 0.326 0.938 0.500 CB 1.362 17 residues pruned to eliminate duplicates Z: 16 47.984 2.444 0.904 0.864 1.000 0.600 CA 1.953 16 residues pruned to eliminate duplicates Z: 8 12.204 1.957 0.938 0.667 0.857 0.286 CB 1.217 8 residues pruned to eliminate duplicates Z: 92 63.005 2.317 0.998 0.488 0.890 0.505 CB 1.622 96 residues pruned to eliminate duplicates Z: 9 9.324 1.909 0.854 0.409 0.750 0.750 CB 1.366 Z: 23 14.975 2.090 0.620 0.350 0.909 0.273 CB 1.221 23 residues pruned to eliminate duplicates Z: 9 7.049 1.658 1.515 0.371 0.625 0.500 CB 1.098 Z: 14 39.890 2.263 1.211 0.913 1.000 0.462 CB 1.565 14 residues pruned to eliminate duplicates Z: 38 53.725 2.354 1.127 0.601 0.946 0.486 CB 1.694 38 residues pruned to eliminate duplicates Z: 14 32.018 2.180 1.527 0.834 0.846 0.692 CB 1.428 14 residues pruned to eliminate duplicates Z: 13 35.237 2.321 1.209 0.844 0.917 0.583 CA 1.610 13 residues pruned to eliminate duplicates Z: 16 45.234 2.351 0.951 0.886 1.000 0.600 CB 1.837 16 residues pruned to eliminate duplicates Z: 50 40.792 2.254 0.804 0.472 0.898 0.571 CB 1.641 50 residues pruned to eliminate duplicates Z: 15 28.979 2.402 0.443 0.889 1.000 0.929 CA 1.609 15 residues pruned to eliminate duplicates Z: 12 19.582 2.000 0.893 0.844 0.909 0.818 CA 1.276 12 residues pruned to eliminate duplicates Z: 11 25.361 2.186 0.877 0.914 1.000 0.800 CA 1.382 11 residues pruned to eliminate duplicates Z: 27 29.780 2.280 0.958 0.478 0.808 0.577 CB 1.657 27 residues pruned to eliminate duplicates Z: 40 39.824 2.361 0.869 0.517 0.897 0.538 CB 1.582 41 residues pruned to eliminate duplicates Z: 11 17.850 2.264 1.148 0.656 0.700 0.300 CB 1.434 11 residues pruned to eliminate duplicates Z: 20 24.775 2.232 0.958 0.406 0.842 0.474 CB 1.705 20 residues pruned to eliminate duplicates Z: 13 15.506 2.131 0.643 0.417 0.833 0.583 CB 1.673 13 residues pruned to eliminate duplicates Z: 61 53.509 2.319 0.969 0.539 0.917 0.517 CB 1.589 61 residues pruned to eliminate duplicates Z: 20 17.566 2.053 0.748 0.316 0.947 0.526 CB 1.452 20 residues pruned to eliminate duplicates Z: 13 22.867 1.901 0.926 0.864 1.000 0.667 CB 1.322 13 residues pruned to eliminate duplicates Z: 26 20.483 2.292 0.729 0.418 0.720 0.440 CB 1.565 26 residues pruned to eliminate duplicates Z: 14 38.197 2.199 1.461 0.862 1.000 0.846 CB 1.437 14 residues pruned to eliminate duplicates Z: 17 33.206 2.261 0.691 0.876 0.938 0.750 CA 1.684 17 residues pruned to eliminate duplicates Z: 12 53.421 2.508 1.434 0.916 1.000 0.455 CA 1.863 12 residues pruned to eliminate duplicates Z: 17 39.977 2.220 0.853 0.894 1.000 0.812 CA 1.743 17 residues pruned to eliminate duplicates Z: 11 24.682 2.172 0.882 0.861 1.000 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 71 51.128 2.253 0.950 0.448 0.843 0.543 CB 1.740 72 residues pruned to eliminate duplicates Z: 8 16.096 2.123 0.797 0.635 0.857 0.571 N 1.639 Z: 12 44.143 2.346 1.447 0.851 1.000 0.455 CB 1.716 12 residues pruned to eliminate duplicates Z: 13 26.844 2.153 0.549 0.921 1.000 1.000 CA 1.636 13 residues pruned to eliminate duplicates Z: 13 39.210 2.253 0.983 0.936 1.000 1.000 CA 1.764 13 residues pruned to eliminate duplicates Z: 20 35.375 2.321 1.083 0.468 0.947 0.474 CA 1.831 20 residues pruned to eliminate duplicates Z: 6 4.647 2.008 0.492 0.484 0.600 0.400 CB 1.175 6 residues pruned to eliminate duplicates Z: 32 39.481 2.238 1.119 0.604 0.839 0.581 CB 1.615 40 residues pruned to eliminate duplicates Z: 38 50.413 2.377 1.004 0.599 0.892 0.676 CB 1.776 38 residues pruned to eliminate duplicates Z: 7 8.464 1.779 0.237 0.730 1.000 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 18 17.778 2.245 0.625 0.392 0.882 0.647 CB 1.503 18 residues pruned to eliminate duplicates Z: 16 7.857 1.993 0.411 0.222 0.933 0.333 CB 1.071 16 residues pruned to eliminate duplicates Z: 16 27.200 2.187 0.927 0.866 0.867 0.467 CB 1.408 16 residues pruned to eliminate duplicates Z: 24 30.746 2.260 1.191 0.381 0.870 0.478 CB 1.689 20 residues pruned to eliminate duplicates Z: 16 27.447 2.406 0.997 0.571 0.733 0.533 CA 1.878 16 residues pruned to eliminate duplicates Z: 93 53.765 2.347 0.872 0.410 0.815 0.522 CB 1.720 93 residues pruned to eliminate duplicates Z: 6 9.644 1.860 0.574 0.685 1.000 0.800 CA 1.243 6 residues pruned to eliminate duplicates Z: 9 12.838 2.107 0.569 0.771 0.875 0.750 CA 1.235 9 residues pruned to eliminate duplicates Z: 8 6.269 1.941 0.440 0.404 0.714 0.571 CB 1.313 Z: 76 47.589 2.232 0.977 0.456 0.840 0.493 CB 1.550 76 residues pruned to eliminate duplicates Z: 16 36.848 2.325 0.907 0.850 0.933 0.800 CB 1.703 16 residues pruned to eliminate duplicates Z: 16 33.288 2.198 0.948 0.844 0.933 0.733 CA 1.600 16 residues pruned to eliminate duplicates Z: 9 9.423 2.274 0.273 0.478 0.750 0.625 CB 1.569 9 residues pruned to eliminate duplicates Z: 15 10.344 2.023 1.144 0.342 0.643 0.429 CB 1.177 15 residues pruned to eliminate duplicates Z: 14 34.810 2.365 0.831 0.866 1.000 0.615 CA 1.632 14 residues pruned to eliminate duplicates Z: 6 2.777 2.114 -0.162 0.390 0.600 0.600 CB 1.312 6 residues pruned to eliminate duplicates Z: 15 22.212 2.345 0.735 0.457 0.857 0.571 CB 1.778 15 residues pruned to eliminate duplicates Z: 26 41.992 2.323 1.066 0.678 0.960 0.560 CB 1.548 26 residues pruned to eliminate duplicates Z: 12 10.911 2.195 0.610 0.246 0.818 0.364 CB 1.525 12 residues pruned to eliminate duplicates Z: 13 24.677 2.064 0.611 0.940 1.000 0.833 CB 1.488 13 residues pruned to eliminate duplicates Z: 50 44.840 2.284 0.953 0.437 0.857 0.592 CB 1.787 50 residues pruned to eliminate duplicates Z: 17 35.971 2.332 0.766 0.889 0.938 0.750 CB 1.676 17 residues pruned to eliminate duplicates Z: 8 8.061 1.913 0.256 0.483 0.857 0.571 N 1.505 Z: 25 40.179 2.343 1.169 0.609 0.875 0.583 CB 1.664 25 residues pruned to eliminate duplicates Z: 8 8.535 2.046 0.594 0.460 1.000 0.714 CB 1.030 Z: 22 18.691 2.116 0.685 0.450 0.857 0.619 CB 1.406 22 residues pruned to eliminate duplicates Z: 16 14.135 2.051 0.752 0.405 0.800 0.467 CB 1.403 16 residues pruned to eliminate duplicates Z: 16 31.917 2.179 0.916 0.876 0.933 0.867 CA 1.538 16 residues pruned to eliminate duplicates Z: 32 17.675 2.158 0.682 0.280 0.774 0.452 CB 1.448 32 residues pruned to eliminate duplicates Z: 24 23.271 2.251 0.661 0.433 0.870 0.565 CB 1.600 24 residues pruned to eliminate duplicates Z: 63 49.789 2.257 0.873 0.483 0.887 0.548 CB 1.715 63 residues pruned to eliminate duplicates Z: 21 28.296 2.278 0.900 0.392 0.900 0.500 CB 1.821 21 residues pruned to eliminate duplicates Z: 16 13.114 1.980 0.540 0.412 0.867 0.400 CB 1.405 12 residues pruned to eliminate duplicates Z: 11 21.609 2.113 0.755 0.856 1.000 0.700 CB 1.359 11 residues pruned to eliminate duplicates Z: 16 18.205 2.302 0.673 0.320 0.867 0.533 CA 1.717 16 residues pruned to eliminate duplicates Z: 14 26.528 2.060 0.775 0.916 0.923 0.462 CA 1.539 14 residues pruned to eliminate duplicates Z: 15 21.683 2.212 0.504 0.856 0.929 0.643 CA 1.383 15 residues pruned to eliminate duplicates Z: 9 17.572 1.869 0.766 0.870 1.000 0.500 CA 1.373 9 residues pruned to eliminate duplicates Z: 28 45.463 2.468 1.085 0.587 0.889 0.593 CB 1.760 28 residues pruned to eliminate duplicates Z: 32 31.942 2.179 0.836 0.509 0.903 0.387 CB 1.574 32 residues pruned to eliminate duplicates Z: 10 9.537 1.737 0.649 0.688 0.667 0.444 CB 1.401 10 residues pruned to eliminate duplicates Z: 22 19.280 2.052 0.630 0.461 0.905 0.476 CB 1.447 22 residues pruned to eliminate duplicates Z: 15 16.071 1.999 0.934 0.418 0.857 0.571 CB 1.412 15 residues pruned to eliminate duplicates Z: 13 40.999 2.264 1.124 0.940 1.000 1.000 CA 1.708 13 residues pruned to eliminate duplicates Z: 36 27.357 2.190 0.929 0.404 0.800 0.486 CB 1.513 36 residues pruned to eliminate duplicates Z: 13 34.029 2.228 1.089 0.838 1.000 0.833 CB 1.578 13 residues pruned to eliminate duplicates Z: 21 27.362 2.210 1.200 0.479 0.800 0.600 CB 1.607 21 residues pruned to eliminate duplicates Z: 17 19.372 2.110 0.584 0.494 0.875 0.750 CB 1.666 16 residues pruned to eliminate duplicates Z: 52 63.870 2.372 1.194 0.549 0.980 0.608 CB 1.671 52 residues pruned to eliminate duplicates Z: 38 37.608 2.273 0.923 0.568 0.892 0.622 CB 1.485 38 residues pruned to eliminate duplicates Z: 17 36.328 2.376 1.100 0.875 0.875 0.375 CB 1.512 17 residues pruned to eliminate duplicates Z: 12 25.662 2.087 0.865 0.888 1.000 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 42 38.575 2.251 0.875 0.504 0.951 0.561 CB 1.494 40 residues pruned to eliminate duplicates Z: 12 21.548 1.863 0.849 0.863 1.000 0.818 CA 1.384 12 residues pruned to eliminate duplicates Z: 39 37.809 2.261 0.876 0.491 0.895 0.553 CB 1.631 40 residues pruned to eliminate duplicates Z: 41 31.909 2.261 0.779 0.469 0.850 0.500 CB 1.523 41 residues pruned to eliminate duplicates Z: 8 17.854 2.087 1.215 0.659 0.857 0.714 O 1.470 8 residues pruned to eliminate duplicates Z: 34 21.543 2.028 0.924 0.353 0.788 0.455 CB 1.431 34 residues pruned to eliminate duplicates Z: 6 14.193 2.131 0.817 0.847 0.800 0.400 CA 1.522 6 residues pruned to eliminate duplicates Z: 12 33.527 2.296 0.872 0.888 1.000 0.818 CB 1.694 12 residues pruned to eliminate duplicates Z: 93 63.889 2.272 1.083 0.479 0.880 0.598 CB 1.632 93 residues pruned to eliminate duplicates Z: 7 8.239 2.104 0.748 0.232 1.000 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 69 56.578 2.281 1.004 0.540 0.912 0.544 CB 1.584 69 residues pruned to eliminate duplicates Z: 6 5.417 2.143 -0.056 0.843 0.800 0.400 CB 1.115 6 residues pruned to eliminate duplicates Z: 14 5.140 1.729 0.545 0.409 0.692 0.615 CB 0.849 8 residues pruned to eliminate duplicates Z: 12 4.470 1.903 0.098 0.418 0.636 0.273 CB 1.104 Z: 6 18.394 2.467 1.075 0.653 0.800 0.400 CA 1.743 6 residues pruned to eliminate duplicates Z: 7 9.528 2.068 1.038 0.395 0.667 0.667 CA 1.546 7 residues pruned to eliminate duplicates Z: 12 15.403 2.198 0.779 0.783 0.636 0.545 CB 1.455 12 residues pruned to eliminate duplicates Z: 6 6.466 1.966 0.474 0.322 0.800 0.600 CB 1.517 Z: 12 31.822 2.325 0.730 0.932 1.000 0.818 CB 1.666 12 residues pruned to eliminate duplicates Z: 6 3.601 1.742 0.270 0.431 0.800 0.800 CB 0.977 6 residues pruned to eliminate duplicates Z: 11 24.150 2.120 0.958 0.858 1.000 0.900 CA 1.355 11 residues pruned to eliminate duplicates Z: 17 46.244 2.304 1.102 0.868 1.000 0.750 CA 1.745 17 residues pruned to eliminate duplicates Z: 16 34.386 2.195 1.154 0.882 0.933 0.667 CA 1.455 16 residues pruned to eliminate duplicates Z: 23 44.104 2.392 1.074 0.709 0.909 0.727 CB 1.725 23 residues pruned to eliminate duplicates Z: 26 26.242 2.263 0.805 0.411 0.800 0.520 CA 1.763 26 residues pruned to eliminate duplicates Z: 8 9.446 1.577 0.925 0.478 1.000 0.714 O 1.202 6 residues pruned to eliminate duplicates Z: 12 10.542 2.048 0.659 0.617 0.727 0.727 CB 1.151 Z: 12 16.239 2.073 0.827 0.365 0.909 0.636 CB 1.643 12 residues pruned to eliminate duplicates Z: 15 32.651 2.281 0.873 0.858 1.000 0.714 CA 1.504 15 residues pruned to eliminate duplicates Z: 38 32.153 2.126 0.952 0.470 0.865 0.514 CB 1.519 40 residues pruned to eliminate duplicates Z: 8 20.766 2.146 0.723 0.843 0.857 0.571 CA 1.844 8 residues pruned to eliminate duplicates Z: 13 14.893 1.717 0.668 0.774 0.917 0.667 CB 1.285 13 residues pruned to eliminate duplicates Z: 15 29.804 2.175 0.965 0.623 0.929 0.500 CA 1.789 15 residues pruned to eliminate duplicates Z: 37 41.953 2.481 0.983 0.491 0.889 0.528 CB 1.613 37 residues pruned to eliminate duplicates Z: 11 9.595 1.787 0.814 0.541 0.800 0.500 CB 1.123 11 residues pruned to eliminate duplicates Z: 12 15.904 1.958 0.712 0.899 0.909 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 32 28.126 2.257 1.002 0.414 0.839 0.548 CB 1.459 32 residues pruned to eliminate duplicates Z: 6 5.926 1.581 0.906 0.512 0.800 0.400 O 1.086 6 residues pruned to eliminate duplicates Z: 15 34.381 2.270 1.059 0.872 1.000 0.500 CA 1.433 15 residues pruned to eliminate duplicates Z: 41 32.501 2.201 0.754 0.458 0.950 0.500 CB 1.462 41 residues pruned to eliminate duplicates Z: 32 20.800 2.170 0.934 0.387 0.774 0.355 CB 1.297 32 residues pruned to eliminate duplicates Z: 9 26.566 2.447 1.422 0.682 0.750 0.250 CA 1.787 9 residues pruned to eliminate duplicates Z: 53 57.087 2.361 1.087 0.539 0.885 0.519 CB 1.748 53 residues pruned to eliminate duplicates Z: 17 43.637 2.214 1.098 0.877 1.000 0.688 CA 1.705 17 residues pruned to eliminate duplicates Z: 57 44.823 2.264 0.971 0.481 0.821 0.500 CB 1.666 57 residues pruned to eliminate duplicates Z: 6 6.583 1.660 0.291 0.687 1.000 0.600 O 1.157 Z: 12 27.875 2.130 1.105 0.891 0.909 0.545 CA 1.482 12 residues pruned to eliminate duplicates Z: 6 3.400 1.536 0.652 0.482 0.800 0.600 CB 0.762 Z: 47 50.212 2.372 0.989 0.525 0.913 0.478 CB 1.676 47 residues pruned to eliminate duplicates Z: 24 40.993 2.318 1.259 0.551 0.870 0.652 CB 1.786 24 residues pruned to eliminate duplicates Z: 32 11.488 1.982 0.309 0.318 0.806 0.452 CB 1.206 24 residues pruned to eliminate duplicates Z: 10 12.473 2.149 0.605 0.637 0.778 0.556 CA 1.362 10 residues pruned to eliminate duplicates Z: 12 18.546 1.929 0.311 0.909 1.000 0.818 CA 1.570 12 residues pruned to eliminate duplicates Z: 13 24.784 1.857 0.953 0.867 1.000 0.833 CA 1.443 13 residues pruned to eliminate duplicates Z: 10 3.349 1.705 0.431 0.243 0.667 0.444 CB 0.924 Z: 6 10.013 1.816 0.945 0.689 0.800 0.800 O 1.333 Z: 67 60.483 2.332 1.082 0.507 0.909 0.545 CB 1.676 67 residues pruned to eliminate duplicates Z: 9 26.769 2.337 1.149 0.764 0.875 0.625 CA 1.704 9 residues pruned to eliminate duplicates Z: 11 10.537 2.001 0.475 0.421 0.800 0.600 CB 1.531 11 residues pruned to eliminate duplicates Z: 8 12.299 1.772 0.787 0.625 1.000 0.714 CB 1.306 Z: 24 18.967 2.143 0.881 0.386 0.826 0.522 CB 1.341 23 residues pruned to eliminate duplicates Z: 7 12.570 1.921 0.854 0.645 0.833 0.667 CB 1.510 7 residues pruned to eliminate duplicates Z: 32 22.580 2.124 0.896 0.475 0.710 0.452 CB 1.455 32 residues pruned to eliminate duplicates Z: 20 18.477 2.111 0.855 0.283 0.842 0.579 CA 1.643 20 residues pruned to eliminate duplicates Z: 46 51.268 2.380 1.055 0.525 0.956 0.644 CB 1.595 46 residues pruned to eliminate duplicates Z: 13 12.856 2.253 0.390 0.323 0.917 0.417 CB 1.570 13 residues pruned to eliminate duplicates Z: 62 48.013 2.233 0.890 0.505 0.902 0.557 CB 1.609 70 residues pruned to eliminate duplicates Z: 6 6.492 1.753 0.231 0.829 1.000 1.000 CA 1.012 Z: 12 7.925 1.895 0.592 0.252 0.727 0.455 N 1.449 12 residues pruned to eliminate duplicates Z: 17 12.299 2.148 0.498 0.279 0.812 0.312 CB 1.510 16 residues pruned to eliminate duplicates Z: 43 32.950 2.185 0.921 0.470 0.857 0.405 CB 1.457 43 residues pruned to eliminate duplicates Z: 9 7.365 1.829 0.865 0.446 0.750 0.500 CA 1.076 9 residues pruned to eliminate duplicates Z: 9 15.901 2.174 0.653 0.673 0.875 0.875 CA 1.524 9 residues pruned to eliminate duplicates Z: 17 45.986 2.270 1.186 0.900 1.000 0.812 CA 1.654 17 residues pruned to eliminate duplicates Z: 8 7.264 1.966 0.064 0.522 0.857 0.714 N 1.499 Z: 24 38.623 2.372 1.089 0.564 0.826 0.652 CA 1.849 28 residues pruned to eliminate duplicates Z: 11 36.931 2.386 1.074 0.923 1.000 0.900 CB 1.659 11 residues pruned to eliminate duplicates Z: 27 19.775 2.248 0.483 0.390 0.846 0.615 CB 1.546 27 residues pruned to eliminate duplicates Z: 18 9.603 1.950 0.646 0.381 0.765 0.294 CB 1.077 Z: 39 32.662 2.152 0.960 0.487 0.868 0.579 CB 1.465 39 residues pruned to eliminate duplicates Z: 12 9.206 1.744 0.363 0.509 1.000 0.545 CB 1.157 Z: 16 38.748 2.335 0.856 0.870 1.000 0.867 CB 1.684 16 residues pruned to eliminate duplicates Z: 57 56.359 2.336 1.139 0.516 0.893 0.679 CB 1.661 57 residues pruned to eliminate duplicates Z: 9 2.078 1.808 0.050 0.254 0.500 0.250 CB 1.027 9 residues pruned to eliminate duplicates Z: 10 4.699 1.985 0.489 0.343 0.556 0.556 CB 1.131 10 residues pruned to eliminate duplicates Z: 30 26.023 2.071 1.014 0.420 0.862 0.621 CB 1.462 30 residues pruned to eliminate duplicates Z: 8 4.748 1.823 0.465 0.443 0.714 0.571 CB 0.998 8 residues pruned to eliminate duplicates Z: 8 14.743 2.046 0.718 0.699 1.000 0.571 CB 1.322 8 residues pruned to eliminate duplicates Z: 8 4.973 1.777 0.340 0.632 0.857 0.429 CB 0.814 Z: 56 47.607 2.266 1.035 0.461 0.909 0.491 CB 1.594 56 residues pruned to eliminate duplicates Z: 6 6.063 1.786 1.283 0.465 0.600 0.600 CB 1.148 6 residues pruned to eliminate duplicates Z: 48 28.203 2.079 0.651 0.479 0.894 0.468 CB 1.370 42 residues pruned to eliminate duplicates Z: 37 26.518 2.123 1.033 0.459 0.806 0.528 CB 1.325 35 residues pruned to eliminate duplicates Z: 15 48.637 2.690 0.792 0.860 1.000 0.714 CA 1.982 15 residues pruned to eliminate duplicates Z: 17 42.726 2.169 1.250 0.868 1.000 0.625 CB 1.600 17 residues pruned to eliminate duplicates Z: 21 19.297 2.205 0.758 0.359 0.900 0.550 CB 1.440 21 residues pruned to eliminate duplicates Z: 7 8.911 1.823 0.590 0.821 0.667 0.667 CB 1.425 7 residues pruned to eliminate duplicates Z: 8 6.724 1.729 0.439 0.805 0.714 0.571 CB 1.096 8 residues pruned to eliminate duplicates Z: 12 21.592 1.985 0.868 0.868 1.000 0.818 CB 1.283 12 residues pruned to eliminate duplicates Z: 6 3.063 1.317 1.082 0.467 0.600 0.400 CA 0.861 Z: 10 21.512 2.088 0.578 0.872 1.000 1.000 CB 1.586 10 residues pruned to eliminate duplicates Z: 13 12.724 2.046 0.652 0.487 0.917 0.667 CB 1.200 13 residues pruned to eliminate duplicates Z: 13 26.983 1.955 1.211 0.812 0.917 0.833 CA 1.499 13 residues pruned to eliminate duplicates Z: 12 9.722 1.962 0.932 0.327 0.727 0.455 N 1.286 Z: 11 12.075 1.872 0.806 0.426 0.800 0.500 CB 1.525 11 residues pruned to eliminate duplicates Z: 9 9.722 2.122 0.427 0.494 0.750 0.625 CA 1.523 9 residues pruned to eliminate duplicates Z: 60 42.385 2.168 0.786 0.516 0.898 0.475 CB 1.562 60 residues pruned to eliminate duplicates Z: 14 37.012 2.417 0.868 0.837 0.923 0.615 CA 1.843 14 residues pruned to eliminate duplicates Z: 17 51.003 2.265 1.321 0.876 1.000 0.562 CA 1.764 17 residues pruned to eliminate duplicates Z: 9 2.897 1.945 0.382 0.166 0.750 0.625 CB 0.764 Z: 8 8.961 1.872 0.721 0.832 0.714 0.714 CB 1.105 11 residues pruned to eliminate duplicates Z: 27 36.750 2.285 0.805 0.608 0.923 0.731 CA 1.708 25 residues pruned to eliminate duplicates Z: 64 51.627 2.243 0.999 0.465 0.873 0.524 CB 1.723 64 residues pruned to eliminate duplicates Z: 7 4.510 1.652 0.645 0.238 0.833 0.500 CB 1.102 Z: 10 4.668 1.871 0.455 0.232 0.667 0.333 CB 1.172 Z: 13 27.571 2.257 1.021 0.778 0.917 0.750 CB 1.489 13 residues pruned to eliminate duplicates Z: 52 42.758 2.158 0.848 0.539 0.941 0.529 CB 1.535 54 residues pruned to eliminate duplicates Z: 17 45.050 2.291 1.064 0.872 1.000 0.750 CB 1.735 17 residues pruned to eliminate duplicates Z: 92 61.638 2.379 0.929 0.495 0.846 0.527 CB 1.672 92 residues pruned to eliminate duplicates Z: 17 16.856 2.072 0.829 0.410 0.812 0.438 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 12.857 2.178 0.415 0.399 0.824 0.529 CB 1.366 18 residues pruned to eliminate duplicates Z: 8 16.355 1.855 0.624 0.849 1.000 0.571 CB 1.521 8 residues pruned to eliminate duplicates Z: 10 18.901 1.866 0.995 0.817 0.889 0.556 CA 1.445 10 residues pruned to eliminate duplicates Z: 16 19.235 2.108 0.843 0.520 0.800 0.600 CB 1.567 16 residues pruned to eliminate duplicates Z: 21 17.705 2.104 0.916 0.387 0.950 0.550 CB 1.165 22 residues pruned to eliminate duplicates Z: 63 45.229 2.327 0.927 0.464 0.823 0.532 CB 1.616 63 residues pruned to eliminate duplicates Z: 9 3.694 1.877 0.049 0.430 0.625 0.625 CB 1.140 Z: 10 17.050 2.150 1.215 0.602 0.667 0.556 CA 1.625 10 residues pruned to eliminate duplicates Z: 55 31.954 2.110 0.760 0.440 0.852 0.463 CB 1.462 55 residues pruned to eliminate duplicates Z: 16 20.506 2.061 0.701 0.505 0.933 0.467 CB 1.610 16 residues pruned to eliminate duplicates Z: 8 7.914 1.842 0.929 0.498 0.714 0.571 CB 1.181 Z: 43 47.202 2.384 0.916 0.546 0.929 0.548 CB 1.642 43 residues pruned to eliminate duplicates Z: 8 15.858 2.293 1.439 0.589 0.571 0.286 CA 1.723 8 residues pruned to eliminate duplicates Z: 17 7.239 1.850 0.320 0.328 0.688 0.438 CB 1.302 Z: 50 58.312 2.345 1.234 0.570 0.918 0.469 CB 1.617 50 residues pruned to eliminate duplicates Z: 15 31.446 2.253 0.892 0.906 1.000 0.571 CB 1.402 15 residues pruned to eliminate duplicates Z: 9 9.537 1.938 0.654 0.420 0.875 0.750 CB 1.307 Z: 9 2.237 1.666 -0.168 0.292 0.750 0.250 CB 0.960 Z: 32 36.776 2.407 1.088 0.495 0.871 0.645 CB 1.517 32 residues pruned to eliminate duplicates Z: 6 8.136 1.783 0.311 0.674 1.000 1.000 N 1.326 Z: 6 5.859 1.547 0.356 0.776 1.000 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 26 33.285 2.192 0.813 0.596 0.960 0.720 CB 1.591 26 residues pruned to eliminate duplicates Z: 47 52.352 2.371 1.060 0.531 0.870 0.543 CB 1.764 47 residues pruned to eliminate duplicates Z: 37 42.276 2.340 1.079 0.556 0.861 0.528 CB 1.593 37 residues pruned to eliminate duplicates Z: 90 66.989 2.256 1.017 0.561 0.921 0.539 CB 1.596 90 residues pruned to eliminate duplicates Z: 7 12.903 1.939 0.693 0.830 0.833 0.500 CB 1.448 7 residues pruned to eliminate duplicates Z: 17 15.096 2.231 0.583 0.439 0.875 0.500 CB 1.300 18 residues pruned to eliminate duplicates Z: 17 36.289 2.245 0.840 0.881 1.000 0.625 CA 1.590 17 residues pruned to eliminate duplicates Z: 14 8.069 1.897 1.045 0.335 0.769 0.692 CB 0.899 Z: 37 37.687 2.188 1.112 0.486 0.861 0.694 CB 1.601 37 residues pruned to eliminate duplicates Z: 47 27.006 2.109 0.835 0.405 0.804 0.391 CB 1.414 47 residues pruned to eliminate duplicates Z: 17 34.572 2.203 0.998 0.794 0.938 0.500 CB 1.618 17 residues pruned to eliminate duplicates Z: 10 15.648 1.816 1.148 0.691 0.889 0.778 CB 1.263 Z: 6 7.378 2.060 0.923 0.409 0.600 0.400 CA 1.527 6 residues pruned to eliminate duplicates Z: 15 29.430 2.266 0.809 0.860 1.000 0.714 CA 1.411 15 residues pruned to eliminate duplicates Z: 16 32.531 2.268 0.734 0.904 1.000 0.667 CA 1.521 16 residues pruned to eliminate duplicates Z: 15 7.841 1.555 0.837 0.362 0.929 0.500 CB 0.916 15 residues pruned to eliminate duplicates Z: 34 26.987 2.124 0.873 0.449 0.848 0.485 CB 1.466 34 residues pruned to eliminate duplicates Z: 56 34.760 2.030 0.737 0.517 0.945 0.636 CB 1.382 56 residues pruned to eliminate duplicates Z: 8 19.795 1.934 0.778 0.868 1.000 0.571 CA 1.591 8 residues pruned to eliminate duplicates Z: 62 64.717 2.361 1.121 0.575 0.934 0.557 CB 1.648 62 residues pruned to eliminate duplicates Z: 9 9.855 2.125 0.560 0.374 0.750 0.500 CA 1.603 9 residues pruned to eliminate duplicates Z: 7 7.545 1.936 0.711 0.423 0.833 0.667 CA 1.208 Z: 6 4.908 1.827 0.307 0.462 0.800 0.400 CB 1.194 Z: 7 3.904 1.468 0.234 0.338 1.000 0.500 CB 1.049 Z: 19 18.164 1.945 0.625 0.570 1.000 0.833 CB 1.265 19 residues pruned to eliminate duplicates Z: 23 28.517 2.116 0.916 0.558 0.909 0.591 CB 1.559 23 residues pruned to eliminate duplicates Z: 28 31.722 2.278 0.786 0.528 0.926 0.444 CB 1.577 28 residues pruned to eliminate duplicates Z: 48 48.970 2.322 1.045 0.460 0.915 0.553 CB 1.713 48 residues pruned to eliminate duplicates Z: 13 29.589 2.321 0.625 0.868 1.000 0.667 CB 1.656 13 residues pruned to eliminate duplicates Z: 25 41.012 2.289 1.074 0.681 0.875 0.708 CB 1.706 25 residues pruned to eliminate duplicates Z: 11 10.058 2.096 0.402 0.397 0.800 0.400 CB 1.509 11 residues pruned to eliminate duplicates Z: 6 7.209 1.484 0.581 0.786 1.000 0.800 C 1.068 Z: 25 19.495 2.142 0.846 0.419 0.792 0.500 CB 1.384 25 residues pruned to eliminate duplicates Z: 25 42.199 2.306 1.178 0.660 0.917 0.542 CB 1.613 25 residues pruned to eliminate duplicates Z: 9 5.785 1.900 0.457 0.314 1.000 0.625 CB 0.908 Z: 13 11.288 2.006 0.561 0.395 0.917 0.583 CB 1.269 13 residues pruned to eliminate duplicates Z: 13 32.129 2.061 1.289 0.913 1.000 0.917 CB 1.391 13 residues pruned to eliminate duplicates Z: 15 26.191 2.314 0.899 0.579 0.857 0.500 CB 1.722 21 residues pruned to eliminate duplicates Z: 8 21.322 2.262 0.861 0.805 0.857 0.714 CA 1.711 8 residues pruned to eliminate duplicates Z: 11 23.887 2.147 0.942 0.862 1.000 0.800 CA 1.330 11 residues pruned to eliminate duplicates Z: 14 41.998 2.391 1.027 0.858 1.000 0.692 CA 1.770 14 residues pruned to eliminate duplicates Z: 15 31.008 2.304 0.855 0.915 1.000 0.929 CA 1.370 16 residues pruned to eliminate duplicates Z: 10 16.543 1.794 0.651 0.854 1.000 0.778 CA 1.375 10 residues pruned to eliminate duplicates Z: 17 44.179 2.207 1.126 0.881 1.000 0.812 CA 1.704 17 residues pruned to eliminate duplicates Z: 85 61.081 2.244 0.932 0.550 0.929 0.560 CB 1.576 85 residues pruned to eliminate duplicates Z: 8 13.168 2.112 0.551 0.706 1.000 0.857 CB 1.260 8 residues pruned to eliminate duplicates Z: 21 34.206 2.293 0.948 0.741 0.900 0.650 CB 1.533 21 residues pruned to eliminate duplicates Z: 19 15.640 2.091 0.798 0.303 0.833 0.500 CB 1.464 21 residues pruned to eliminate duplicates Z: 36 18.493 2.030 0.613 0.352 0.800 0.543 CB 1.400 36 residues pruned to eliminate duplicates Z: 9 8.813 1.810 0.595 0.792 0.750 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 12 18.335 2.156 0.934 0.507 0.909 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 48 52.464 2.365 1.077 0.520 0.915 0.553 CB 1.670 48 residues pruned to eliminate duplicates Z: 16 39.643 2.314 1.396 0.885 0.933 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 16 43.236 2.376 0.861 0.878 1.000 0.733 CB 1.833 16 residues pruned to eliminate duplicates Z: 15 25.783 2.215 0.510 0.886 0.929 0.857 CA 1.602 15 residues pruned to eliminate duplicates Z: 26 31.162 2.128 1.091 0.510 0.880 0.560 CB 1.576 26 residues pruned to eliminate duplicates Z: 56 52.632 2.437 1.057 0.476 0.836 0.509 CB 1.735 56 residues pruned to eliminate duplicates Z: 12 24.682 2.405 0.534 0.888 1.000 1.000 CA 1.454 12 residues pruned to eliminate duplicates Z: 48 48.530 2.293 1.079 0.521 0.936 0.596 CB 1.554 48 residues pruned to eliminate duplicates Z: 14 20.213 2.071 0.977 0.755 0.769 0.692 CA 1.418 14 residues pruned to eliminate duplicates Z: 15 52.928 2.416 1.221 0.903 1.000 0.643 CB 1.879 15 residues pruned to eliminate duplicates Z: 8 17.469 1.882 0.615 0.899 1.000 0.857 CA 1.553 8 residues pruned to eliminate duplicates Z: 30 17.394 1.964 0.864 0.350 0.793 0.517 CB 1.309 30 residues pruned to eliminate duplicates Z: 31 20.696 2.036 0.662 0.411 0.900 0.533 CB 1.362 28 residues pruned to eliminate duplicates Z: 6 4.178 1.950 -0.185 0.412 0.800 0.600 CB 1.610 6 residues pruned to eliminate duplicates Z: 7 2.949 1.341 0.916 0.435 0.667 0.333 CA 0.752 Z: 95 63.199 2.236 1.056 0.519 0.872 0.457 CB 1.595 95 residues pruned to eliminate duplicates Z: 11 8.882 1.842 0.614 0.455 0.800 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 15 20.821 2.073 0.523 0.707 0.857 0.786 CB 1.704 15 residues pruned to eliminate duplicates Z: 10 23.347 2.148 1.153 0.796 0.889 0.333 CB 1.461 10 residues pruned to eliminate duplicates Z: 12 7.997 1.802 0.134 0.504 0.818 0.545 CB 1.437 9 residues pruned to eliminate duplicates Z: 20 14.628 2.153 0.736 0.317 0.842 0.526 CB 1.305 20 residues pruned to eliminate duplicates Z: 38 32.084 2.096 0.883 0.469 0.892 0.595 CB 1.547 38 residues pruned to eliminate duplicates Z: 7 13.229 2.099 1.438 0.670 0.667 0.333 CA 1.353 7 residues pruned to eliminate duplicates Z: 6 2.741 1.641 0.605 0.391 0.800 0.400 N 0.653 Z: 21 19.167 2.132 0.730 0.421 0.900 0.550 CB 1.402 21 residues pruned to eliminate duplicates Z: 8 5.826 1.544 1.211 0.757 0.571 0.571 CB 0.898 Z: 15 31.675 2.267 1.071 0.827 0.929 0.643 CA 1.464 15 residues pruned to eliminate duplicates Z: 77 53.686 2.339 0.885 0.493 0.803 0.526 CB 1.752 77 residues pruned to eliminate duplicates Z: 9 15.034 1.780 0.683 0.805 1.000 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 9 4.376 1.617 0.220 0.372 0.875 0.250 CB 1.028 9 residues pruned to eliminate duplicates Z: 14 27.552 2.290 0.717 0.884 0.923 0.769 CA 1.522 14 residues pruned to eliminate duplicates Z: 7 13.927 1.809 0.689 0.692 1.000 1.000 CB 1.561 Z: 6 6.070 2.096 0.563 0.381 0.800 0.800 CB 1.175 6 residues pruned to eliminate duplicates Z: 15 30.750 2.311 0.679 0.878 1.000 0.643 CA 1.537 15 residues pruned to eliminate duplicates Z: 6 6.916 1.947 0.105 0.677 0.800 0.800 C 1.527 Z: 7 15.824 1.758 0.954 0.721 1.000 0.333 O 1.540 7 residues pruned to eliminate duplicates Z: 11 25.671 2.431 0.941 0.695 0.900 0.400 CB 1.600 11 residues pruned to eliminate duplicates Z: 10 5.139 1.747 0.384 0.479 0.667 0.667 CB 1.086 Z: 19 16.240 2.034 0.940 0.503 0.667 0.444 CB 1.452 19 residues pruned to eliminate duplicates Z: 29 37.156 2.316 1.239 0.325 0.893 0.571 CA 1.837 29 residues pruned to eliminate duplicates Z: 10 15.360 1.818 0.453 0.803 1.000 0.667 CB 1.488 10 residues pruned to eliminate duplicates Z: 40 33.024 2.202 0.832 0.557 0.821 0.615 CB 1.512 34 residues pruned to eliminate duplicates Z: 22 36.060 2.250 0.952 0.707 0.952 0.714 CA 1.559 22 residues pruned to eliminate duplicates Z: 13 12.115 2.002 0.947 0.456 0.750 0.417 CA 1.252 13 residues pruned to eliminate duplicates Z: 6 2.994 2.161 0.502 0.673 0.600 0.400 CB 0.586 6 residues pruned to eliminate duplicates Z: 8 3.045 1.532 0.379 0.304 0.571 0.429 C 1.186 Z: 13 5.647 1.718 0.617 0.166 0.583 0.250 CB 1.509 13 residues pruned to eliminate duplicates Z: 25 23.587 2.146 0.736 0.572 0.750 0.583 CA 1.607 25 residues pruned to eliminate duplicates Z: 14 21.115 2.226 0.785 0.432 0.923 0.538 CB 1.713 14 residues pruned to eliminate duplicates Z: 8 6.414 1.809 0.642 0.380 0.714 0.286 CA 1.298 8 residues pruned to eliminate duplicates Z: 52 58.250 2.429 1.158 0.499 0.922 0.431 CB 1.690 52 residues pruned to eliminate duplicates Z: 6 8.977 1.626 0.656 0.716 1.000 0.800 CA 1.226 6 residues pruned to eliminate duplicates Z: 6 2.264 1.615 0.637 0.549 0.800 0.400 CB 0.456 Z: 8 17.458 1.910 0.921 0.841 0.857 0.714 CB 1.564 11 residues pruned to eliminate duplicates Z: 33 34.309 2.206 0.826 0.557 0.844 0.438 CB 1.689 33 residues pruned to eliminate duplicates Z: 6 4.782 1.505 0.316 0.763 0.800 0.600 CA 1.069 6 residues pruned to eliminate duplicates Z: 9 7.096 1.738 0.153 0.729 1.000 0.750 CB 1.019 9 residues pruned to eliminate duplicates Z: 10 8.350 2.103 0.571 0.268 0.667 0.444 CB 1.646 9 residues pruned to eliminate duplicates Z: 6 2.155 1.430 0.090 0.557 0.800 0.600 CB 0.732 Z: 6 8.721 1.668 0.353 0.773 1.000 1.000 CB 1.358 6 residues pruned to eliminate duplicates Z: 7 17.240 2.022 1.455 0.713 0.833 0.833 CB 1.403 Z: 14 20.553 2.212 0.776 0.480 0.846 0.692 CA 1.751 14 residues pruned to eliminate duplicates Z: 19 14.386 2.151 0.568 0.361 0.944 0.444 CB 1.237 19 residues pruned to eliminate duplicates Z: 9 17.597 2.109 0.640 0.806 0.875 0.375 CA 1.574 9 residues pruned to eliminate duplicates Z: 7 9.048 1.860 0.637 0.534 1.000 1.000 O 1.173 Z: 18 11.218 1.926 0.548 0.429 0.941 0.706 CB 1.044 18 residues pruned to eliminate duplicates Z: 7 7.123 1.836 0.258 0.534 0.833 0.500 O 1.461 Z: 12 8.054 1.728 0.939 0.402 0.636 0.455 CB 1.263 11 residues pruned to eliminate duplicates Z: 15 16.331 2.086 0.472 0.556 1.000 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 39 36.121 2.294 0.811 0.491 0.895 0.579 CB 1.590 52 residues pruned to eliminate duplicates Z: 24 14.055 2.087 0.646 0.430 0.826 0.522 CB 1.111 24 residues pruned to eliminate duplicates Z: 120 68.234 2.247 0.960 0.505 0.882 0.563 CB 1.603 120 residues pruned to eliminate duplicates Z: 8 4.699 1.939 0.586 0.316 0.714 0.286 CB 0.990 8 residues pruned to eliminate duplicates Z: 41 44.561 2.314 0.933 0.532 0.975 0.575 CB 1.565 41 residues pruned to eliminate duplicates Z: 39 36.437 2.156 1.112 0.477 0.921 0.658 CB 1.442 39 residues pruned to eliminate duplicates Z: 42 35.866 2.310 0.918 0.458 0.829 0.415 CB 1.591 43 residues pruned to eliminate duplicates Z: 15 5.160 1.716 0.393 0.222 0.786 0.571 CB 1.017 16 residues pruned to eliminate duplicates Z: 49 46.967 2.236 1.077 0.476 0.854 0.562 CB 1.752 49 residues pruned to eliminate duplicates Z: 88 64.185 2.257 0.964 0.556 0.931 0.598 CB 1.579 88 residues pruned to eliminate duplicates Z: 16 37.372 2.406 0.765 0.886 1.000 0.867 CA 1.640 16 residues pruned to eliminate duplicates Z: 18 36.900 2.220 1.103 0.774 1.000 0.765 CB 1.505 18 residues pruned to eliminate duplicates Z: 17 15.983 2.173 0.584 0.455 0.938 0.688 CB 1.296 17 residues pruned to eliminate duplicates Z: 50 37.359 2.104 0.842 0.578 0.918 0.531 CB 1.391 50 residues pruned to eliminate duplicates Z: 16 44.361 2.275 1.069 0.876 1.000 0.667 CA 1.768 16 residues pruned to eliminate duplicates Z: 31 48.105 2.411 1.187 0.572 0.933 0.567 CB 1.664 31 residues pruned to eliminate duplicates Z: 37 40.981 2.183 0.985 0.602 0.944 0.611 CB 1.514 37 residues pruned to eliminate duplicates Z: 15 38.956 2.239 1.142 0.886 1.000 0.714 CA 1.567 15 residues pruned to eliminate duplicates Z: 31 22.709 2.107 0.905 0.316 0.833 0.433 CB 1.520 31 residues pruned to eliminate duplicates Z: 18 10.548 2.022 0.853 0.299 0.882 0.471 CB 0.969 18 residues pruned to eliminate duplicates Z: 33 34.643 2.291 1.000 0.386 0.906 0.562 CB 1.663 33 residues pruned to eliminate duplicates Z: 11 29.529 2.120 1.140 0.902 1.000 0.700 CA 1.468 11 residues pruned to eliminate duplicates Z: 16 34.971 2.123 1.085 0.884 1.000 0.667 CA 1.474 16 residues pruned to eliminate duplicates Z: 27 33.322 2.072 1.048 0.617 0.923 0.538 CB 1.494 27 residues pruned to eliminate duplicates Z: 70 49.128 2.185 0.990 0.437 0.942 0.594 CB 1.540 70 residues pruned to eliminate duplicates Z: 8 16.136 2.100 0.675 0.671 0.857 0.571 CA 1.728 8 residues pruned to eliminate duplicates Z: 9 11.259 1.814 0.666 0.484 1.000 0.625 CB 1.339 Z: 8 20.918 1.988 0.732 0.889 1.000 0.429 CA 1.652 8 residues pruned to eliminate duplicates Z: 6 5.483 2.065 -0.201 0.800 1.000 0.600 CB 1.144 Z: 8 17.414 1.975 0.995 0.829 0.857 0.571 CA 1.467 8 residues pruned to eliminate duplicates Z: 6 12.344 2.084 0.775 0.799 1.000 0.800 CA 1.149 6 residues pruned to eliminate duplicates Z: 6 4.722 1.851 0.633 0.317 0.600 0.400 CB 1.425 6 residues pruned to eliminate duplicates Z: 16 15.728 2.318 0.702 0.403 0.933 0.533 CB 1.221 16 residues pruned to eliminate duplicates Z: 27 23.078 2.253 0.719 0.397 0.885 0.538 CB 1.473 27 residues pruned to eliminate duplicates Z: 42 32.100 2.237 0.804 0.454 0.878 0.610 CB 1.483 42 residues pruned to eliminate duplicates Z: 15 33.560 2.272 1.019 0.739 1.000 0.714 CB 1.578 15 residues pruned to eliminate duplicates Z: 12 26.497 2.005 1.152 0.838 1.000 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 12 16.824 2.173 0.805 0.490 0.909 0.545 CB 1.436 12 residues pruned to eliminate duplicates Z: 9 11.137 1.694 0.615 0.874 0.875 0.500 CB 1.197 9 residues pruned to eliminate duplicates Z: 8 3.571 1.528 0.304 0.241 0.857 0.286 CB 1.066 Z: 17 16.934 2.273 0.682 0.495 0.938 0.625 CB 1.187 17 residues pruned to eliminate duplicates Z: 8 11.267 1.875 0.703 0.820 0.714 0.571 CA 1.415 8 residues pruned to eliminate duplicates Z: 21 28.581 2.093 0.999 0.551 0.950 0.500 CB 1.530 21 residues pruned to eliminate duplicates Z: 9 4.877 1.611 0.195 0.332 0.875 0.375 CB 1.230 9 residues pruned to eliminate duplicates Z: 8 10.840 1.952 0.838 0.495 0.857 0.429 CB 1.339 8 residues pruned to eliminate duplicates Z: 58 34.085 2.005 0.721 0.506 0.860 0.526 CB 1.512 57 residues pruned to eliminate duplicates Z: 18 8.988 1.950 0.615 0.406 0.706 0.412 CB 1.082 18 residues pruned to eliminate duplicates Z: 42 31.424 2.152 0.867 0.482 0.780 0.463 CB 1.593 42 residues pruned to eliminate duplicates Z: 10 15.340 1.823 0.624 0.822 0.889 0.556 CB 1.470 10 residues pruned to eliminate duplicates Z: 7 9.901 1.650 0.578 0.782 1.000 0.833 CA 1.211 7 residues pruned to eliminate duplicates Z: 8 7.909 2.050 0.524 0.334 0.857 0.571 CB 1.338 8 residues pruned to eliminate duplicates Z: 18 28.009 2.196 1.019 0.556 0.882 0.588 CB 1.644 18 residues pruned to eliminate duplicates Z: 15 52.338 2.553 1.028 0.850 1.000 0.571 CA 2.001 15 residues pruned to eliminate duplicates Z: 6 3.586 1.590 1.044 0.280 0.800 0.400 CB 0.791 Z: 15 11.751 1.765 0.421 0.723 0.786 0.500 CB 1.304 15 residues pruned to eliminate duplicates Z: 10 10.586 2.067 0.603 0.622 0.889 0.556 CB 1.068 13 residues pruned to eliminate duplicates Z: 45 47.267 2.354 1.049 0.479 0.886 0.500 CB 1.703 45 residues pruned to eliminate duplicates Z: 40 48.735 2.351 0.902 0.548 0.923 0.692 CB 1.805 40 residues pruned to eliminate duplicates Z: 13 13.140 2.004 0.576 0.820 0.667 0.583 CB 1.364 13 residues pruned to eliminate duplicates Z: 7 13.414 2.150 0.646 0.624 0.833 0.667 CB 1.651 7 residues pruned to eliminate duplicates Z: 18 15.774 1.975 0.768 0.476 0.765 0.353 CB 1.469 18 residues pruned to eliminate duplicates Z: 10 20.936 1.928 1.284 0.722 0.778 0.556 CB 1.668 10 residues pruned to eliminate duplicates Z: 93 53.137 2.164 0.935 0.482 0.859 0.511 CB 1.569 93 residues pruned to eliminate duplicates Z: 8 5.542 1.483 0.716 0.242 0.857 0.429 C 1.293 Z: 8 4.700 1.758 -0.004 0.359 0.857 0.571 N 1.376 Z: 39 28.709 2.175 0.971 0.434 0.816 0.553 CB 1.426 39 residues pruned to eliminate duplicates Z: 9 12.444 2.234 1.497 0.602 0.500 0.250 CB 1.431 9 residues pruned to eliminate duplicates Z: 13 9.691 2.038 0.554 0.329 0.917 0.333 CB 1.162 13 residues pruned to eliminate duplicates Z: 39 48.930 2.385 1.083 0.548 0.895 0.500 CB 1.704 39 residues pruned to eliminate duplicates Z: 9 18.072 2.275 0.513 0.746 1.000 0.375 CB 1.490 9 residues pruned to eliminate duplicates Z: 8 13.321 1.873 0.827 0.785 0.714 0.429 CA 1.603 8 residues pruned to eliminate duplicates Z: 16 31.331 2.266 1.144 0.578 0.867 0.667 CA 1.782 16 residues pruned to eliminate duplicates Z: 17 41.399 2.333 1.067 0.875 1.000 0.812 CA 1.561 17 residues pruned to eliminate duplicates Z: 8 3.059 1.772 -0.210 0.456 0.857 0.571 CB 1.008 Z: 6 6.149 1.989 0.458 0.488 0.800 0.800 CB 1.201 10 residues pruned to eliminate duplicates Z: 10 5.987 1.867 0.569 0.337 0.778 0.444 CB 1.047 10 residues pruned to eliminate duplicates Z: 6 5.598 1.917 0.536 0.480 0.600 0.600 C 1.446 8 residues pruned to eliminate duplicates Z: 42 38.570 2.237 0.886 0.483 0.854 0.610 CA 1.701 42 residues pruned to eliminate duplicates Z: 31 28.242 2.143 0.849 0.529 0.900 0.533 CB 1.406 31 residues pruned to eliminate duplicates Z: 16 6.262 1.919 -0.049 0.551 0.867 0.533 CB 0.973 6 residues pruned to eliminate duplicates Z: 6 3.081 1.718 0.033 0.673 0.800 0.400 CB 0.827 Z: 8 16.741 2.029 0.970 0.688 1.000 0.857 CB 1.333 Z: 68 52.897 2.250 0.936 0.523 0.896 0.552 CB 1.620 68 residues pruned to eliminate duplicates Z: 8 5.916 1.977 0.483 0.399 0.714 0.714 CB 1.188 Z: 9 13.478 1.676 0.942 0.812 0.875 0.875 CA 1.275 9 residues pruned to eliminate duplicates Z: 8 10.678 1.912 1.057 0.581 0.714 0.714 CB 1.328 Z: 8 5.377 1.392 0.656 0.668 0.857 0.429 N 0.881 8 residues pruned to eliminate duplicates Z: 16 10.812 1.968 0.615 0.349 0.867 0.467 CB 1.193 16 residues pruned to eliminate duplicates Z: 12 18.633 2.084 0.775 0.822 1.000 0.636 CA 1.148 12 residues pruned to eliminate duplicates Z: 9 7.279 2.113 0.659 0.565 0.750 0.500 CB 0.919 9 residues pruned to eliminate duplicates 9 1.908 1.723 0.083 0.265 0.500 0.375 CB 0.945 ? Z: 38 39.155 2.264 1.148 0.490 0.838 0.595 CB 1.595 38 residues pruned to eliminate duplicates Z: 16 43.201 2.386 0.998 0.887 0.933 0.467 CA 1.807 16 residues pruned to eliminate duplicates Z: 21 21.906 2.200 0.891 0.348 0.900 0.600 CB 1.543 21 residues pruned to eliminate duplicates Z: 17 17.457 1.959 0.628 0.592 0.875 0.625 CB 1.431 17 residues pruned to eliminate duplicates Z: 17 14.545 2.086 0.569 0.316 0.812 0.375 CB 1.676 29 residues pruned to eliminate duplicates Z: 13 7.028 1.821 0.415 0.309 0.833 0.333 CB 1.168 13 residues pruned to eliminate duplicates Z: 6 5.642 1.680 -0.051 0.594 1.000 0.800 O 1.445 Z: 23 20.864 2.099 0.939 0.404 0.773 0.455 CB 1.565 23 residues pruned to eliminate duplicates Z: 32 24.906 2.127 0.866 0.423 0.839 0.548 CB 1.456 32 residues pruned to eliminate duplicates Z: 106 54.812 2.163 0.852 0.496 0.876 0.571 CB 1.530 106 residues pruned to eliminate duplicates Z: 14 34.227 2.314 0.879 0.885 1.000 0.769 CA 1.575 14 residues pruned to eliminate duplicates Z: 6 2.384 1.860 -0.211 0.626 0.800 0.800 CB 0.807 7 0.901 1.277 0.318 0.282 0.333 0.333 CB 0.838 ? Z: 8 6.532 1.739 0.159 0.430 1.000 0.429 CB 1.317 Z: 57 44.053 2.176 0.836 0.523 0.911 0.571 CB 1.582 57 residues pruned to eliminate duplicates Z: 6 3.893 1.924 0.678 0.284 0.600 0.600 CB 1.146 Z: 9 8.513 1.968 0.852 0.425 0.625 0.625 CB 1.429 9 residues pruned to eliminate duplicates Z: 39 44.752 2.308 0.795 0.566 0.974 0.658 CB 1.687 39 residues pruned to eliminate duplicates Z: 6 3.473 1.572 0.991 0.370 0.800 0.400 CB 0.714 6 residues pruned to eliminate duplicates Z: 15 14.636 1.855 0.731 0.566 0.786 0.643 CB 1.455 15 residues pruned to eliminate duplicates Z: 42 19.750 2.063 0.617 0.313 0.829 0.537 CB 1.371 42 residues pruned to eliminate duplicates Z: 65 41.122 2.141 0.963 0.521 0.844 0.594 CB 1.420 65 residues pruned to eliminate duplicates Z: 115 72.414 2.314 1.020 0.503 0.868 0.561 CB 1.666 115 residues pruned to eliminate duplicates Z: 17 7.729 1.861 0.508 0.196 0.812 0.438 CB 1.217 17 residues pruned to eliminate duplicates Z: 41 43.078 2.343 1.047 0.466 0.875 0.475 CB 1.680 41 residues pruned to eliminate duplicates Z: 14 16.011 1.872 0.786 0.504 0.923 0.846 CB 1.432 14 residues pruned to eliminate duplicates Z: 12 5.733 1.886 0.318 0.359 0.727 0.636 CB 1.113 12 residues pruned to eliminate duplicates Z: 19 4.295 1.800 0.558 0.275 0.611 0.278 CB 0.763 29 residues pruned to eliminate duplicates Z: 8 10.911 1.792 0.381 0.807 0.857 0.714 CB 1.488 8 residues pruned to eliminate duplicates Z: 31 23.616 2.114 0.804 0.400 0.900 0.433 CB 1.396 31 residues pruned to eliminate duplicates Z: 17 19.708 1.981 0.951 0.466 0.875 0.562 CA 1.508 17 residues pruned to eliminate duplicates Z: 12 18.229 2.169 0.814 0.446 0.909 0.727 CB 1.624 12 residues pruned to eliminate duplicates Z: 6 4.751 1.815 0.300 0.416 0.800 0.400 O 1.230 Z: 10 15.992 1.813 0.864 0.806 1.000 0.667 CA 1.208 10 residues pruned to eliminate duplicates Z: 7 4.160 1.753 0.069 0.372 1.000 0.333 CB 1.040 7 residues pruned to eliminate duplicates Z: 16 26.187 2.202 0.764 0.855 0.933 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 16 9.309 1.876 0.562 0.347 0.800 0.600 CB 1.210 7 residues pruned to eliminate duplicates Z: 23 15.903 2.058 0.625 0.452 0.864 0.409 CB 1.233 23 residues pruned to eliminate duplicates Z: 11 13.447 2.133 0.536 0.495 1.000 0.700 CB 1.304 11 residues pruned to eliminate duplicates Z: 8 6.381 1.779 0.646 0.474 0.714 0.429 CB 1.184 8 residues pruned to eliminate duplicates Z: 7 15.315 1.810 1.211 0.784 0.833 0.833 CB 1.461 11 residues pruned to eliminate duplicates Z: 8 8.475 1.971 0.791 0.312 0.857 0.286 CA 1.304 8 residues pruned to eliminate duplicates Z: 6 2.328 1.474 0.202 0.419 1.000 0.800 CA 0.640 Z: 8 5.620 1.553 0.516 0.550 0.857 0.571 CB 1.003 8 residues pruned to eliminate duplicates Z: 7 8.025 1.390 1.279 0.690 1.000 0.333 N 0.869 Z: 12 23.000 2.004 0.750 0.899 0.909 0.909 CA 1.554 12 residues pruned to eliminate duplicates Z: 68 56.167 2.334 1.018 0.501 0.910 0.478 CB 1.599 68 residues pruned to eliminate duplicates Z: 12 28.736 2.309 1.316 0.875 0.909 0.455 CB 1.296 12 residues pruned to eliminate duplicates Z: 6 7.274 2.046 -0.109 0.677 1.000 0.800 C 1.516 8 residues pruned to eliminate duplicates Z: 7 2.935 1.760 0.218 0.139 0.667 0.333 CB 1.312 7 residues pruned to eliminate duplicates Z: 15 22.480 2.106 1.495 0.409 0.786 0.286 CB 1.601 15 residues pruned to eliminate duplicates Z: 19 25.164 2.279 0.796 0.520 0.833 0.556 CA 1.705 19 residues pruned to eliminate duplicates Z: 16 18.941 2.035 0.640 0.513 0.867 0.533 CB 1.669 16 residues pruned to eliminate duplicates Z: 12 15.680 1.895 0.877 0.700 0.818 0.455 CB 1.354 12 residues pruned to eliminate duplicates Z: 18 34.224 2.318 1.024 0.434 1.000 0.588 CB 1.894 18 residues pruned to eliminate duplicates Z: 63 61.311 2.344 1.163 0.502 0.903 0.532 CB 1.697 63 residues pruned to eliminate duplicates Z: 6 8.143 1.883 0.028 0.768 1.000 0.600 CB 1.483 6 residues pruned to eliminate duplicates Z: 13 10.509 1.801 0.783 0.417 0.833 0.500 CB 1.236 Z: 27 23.206 2.087 0.985 0.431 0.885 0.577 CB 1.335 27 residues pruned to eliminate duplicates Z: 7 2.268 1.593 0.140 0.262 0.667 0.667 CA 1.004 Z: 6 2.281 1.655 -0.099 0.645 0.800 0.800 CB 0.747 Z: 7 6.142 1.352 0.570 0.784 0.833 0.667 CA 1.103 7 residues pruned to eliminate duplicates Z: 12 22.952 2.037 0.886 0.870 1.000 0.818 CA 1.314 12 residues pruned to eliminate duplicates Z: 13 10.367 2.035 0.638 0.326 0.833 0.583 CB 1.304 13 residues pruned to eliminate duplicates Z: 9 7.679 1.765 1.124 0.383 0.875 0.625 CB 0.937 8 residues pruned to eliminate duplicates Z: 17 20.416 2.258 0.784 0.467 0.938 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 7 17.368 1.852 1.063 0.856 1.000 0.833 N 1.369 8 residues pruned to eliminate duplicates Z: 14 16.834 1.865 0.720 0.664 1.000 0.846 CB 1.251 Z: 11 23.822 2.013 1.125 0.868 1.000 0.900 CB 1.287 11 residues pruned to eliminate duplicates Z: 19 27.975 2.144 0.853 0.497 0.944 0.667 CA 1.763 19 residues pruned to eliminate duplicates Z: 44 42.272 2.228 0.969 0.456 0.907 0.465 CB 1.695 44 residues pruned to eliminate duplicates Z: 7 4.838 1.655 0.969 0.249 0.667 0.500 CB 1.214 Z: 20 30.070 2.195 1.034 0.548 0.947 0.632 CB 1.556 20 residues pruned to eliminate duplicates Z: 21 27.191 2.055 0.946 0.550 0.850 0.650 CB 1.703 21 residues pruned to eliminate duplicates Z: 91 58.833 2.253 1.017 0.491 0.844 0.589 CB 1.631 91 residues pruned to eliminate duplicates Z: 22 15.092 2.116 0.666 0.424 0.714 0.381 CB 1.416 22 residues pruned to eliminate duplicates Z: 6 6.792 1.729 0.602 0.702 0.800 0.400 CA 1.140 Z: 26 33.563 2.167 0.743 0.515 0.960 0.440 CA 1.823 26 residues pruned to eliminate duplicates Z: 59 67.822 2.285 1.210 0.567 0.983 0.603 CB 1.682 59 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 39 31.451 2.228 0.917 0.447 0.868 0.526 CB 1.452 39 residues pruned to eliminate duplicates Z: 17 22.894 2.205 0.889 0.433 0.875 0.625 CB 1.683 17 residues pruned to eliminate duplicates Z: 17 22.497 2.268 0.853 0.444 0.938 0.625 CB 1.512 17 residues pruned to eliminate duplicates Z: 17 20.515 2.286 0.872 0.431 0.875 0.562 CB 1.471 17 residues pruned to eliminate duplicates Z: 11 8.842 1.760 0.681 0.443 0.800 0.400 C 1.253 11 residues pruned to eliminate duplicates Z: 11 21.182 2.260 0.836 0.512 1.000 0.700 CA 1.595 11 residues pruned to eliminate duplicates Z: 11 18.631 2.107 1.075 0.450 1.000 0.700 CA 1.419 11 residues pruned to eliminate duplicates Z: 38 28.858 2.282 0.903 0.407 0.811 0.541 CB 1.485 38 residues pruned to eliminate duplicates Z: 18 20.408 2.162 0.934 0.410 0.882 0.471 CB 1.475 18 residues pruned to eliminate duplicates Z: 61 22.899 2.107 0.626 0.369 0.750 0.400 CB 1.325 61 residues pruned to eliminate duplicates Z: 17 16.573 2.208 0.789 0.375 0.812 0.500 CB 1.475 17 residues pruned to eliminate duplicates Z: 15 9.521 1.930 0.891 0.315 0.714 0.286 CB 1.197 15 residues pruned to eliminate duplicates Z: 17 21.937 2.324 0.774 0.410 0.938 0.438 CB 1.560 17 residues pruned to eliminate duplicates Z: 37 31.424 2.236 0.923 0.404 0.861 0.667 CB 1.565 37 residues pruned to eliminate duplicates Z: 77 51.022 2.331 0.941 0.433 0.855 0.526 CB 1.621 77 residues pruned to eliminate duplicates Z: 30 30.835 2.219 1.032 0.463 0.862 0.414 CB 1.530 30 residues pruned to eliminate duplicates Z: 25 29.312 2.268 0.987 0.463 0.875 0.542 CB 1.576 25 residues pruned to eliminate duplicates Z: 37 28.081 2.151 0.962 0.409 0.889 0.500 CB 1.372 37 residues pruned to eliminate duplicates Z: 38 33.221 2.261 1.132 0.357 0.838 0.514 CB 1.577 38 residues pruned to eliminate duplicates Z: 32 23.473 2.130 1.033 0.388 0.806 0.452 CB 1.360 32 residues pruned to eliminate duplicates Z: 36 38.488 2.300 1.026 0.471 0.943 0.571 CB 1.524 36 residues pruned to eliminate duplicates Z: 25 31.537 2.283 1.071 0.450 0.875 0.583 CB 1.639 25 residues pruned to eliminate duplicates Z: 47 33.192 2.189 0.952 0.416 0.826 0.500 CB 1.513 47 residues pruned to eliminate duplicates Z: 24 27.686 2.305 0.990 0.441 0.870 0.435 CB 1.537 24 residues pruned to eliminate duplicates Z: 21 29.278 2.320 0.947 0.498 0.850 0.650 CB 1.709 21 residues pruned to eliminate duplicates Z: 108 64.308 2.285 1.035 0.473 0.869 0.533 CB 1.581 108 residues pruned to eliminate duplicates Z: 23 27.435 2.282 1.174 0.498 0.818 0.545 CB 1.444 23 residues pruned to eliminate duplicates Z: 20 32.116 2.348 1.243 0.418 0.895 0.474 CB 1.703 20 residues pruned to eliminate duplicates Z: 21 23.314 2.299 1.120 0.454 0.750 0.600 CB 1.495 21 residues pruned to eliminate duplicates Z: 33 27.093 2.242 1.050 0.378 0.781 0.500 CB 1.518 33 residues pruned to eliminate duplicates Z: 9 3.161 1.943 0.754 0.136 0.625 0.250 CB 0.825 9 residues pruned to eliminate duplicates Z: 29 25.629 2.215 1.081 0.382 0.786 0.393 CB 1.516 29 residues pruned to eliminate duplicates Z: 22 35.601 2.333 1.256 0.464 0.952 0.571 CB 1.608 22 residues pruned to eliminate duplicates Z: 68 41.776 2.294 0.793 0.475 0.776 0.582 CB 1.641 68 residues pruned to eliminate duplicates Z: 76 45.305 2.188 0.812 0.470 0.853 0.493 CB 1.595 76 residues pruned to eliminate duplicates Z: 7 8.498 2.279 0.687 0.352 0.667 0.500 CB 1.590 7 residues pruned to eliminate duplicates Z: 8 8.758 2.271 0.713 0.324 0.714 0.429 CA 1.447 8 residues pruned to eliminate duplicates Z: 74 52.444 2.291 0.899 0.486 0.877 0.575 CB 1.632 74 residues pruned to eliminate duplicates Z: 69 45.345 2.259 0.847 0.444 0.897 0.485 CB 1.556 69 residues pruned to eliminate duplicates Z: 65 56.213 2.372 1.024 0.491 0.875 0.594 CB 1.688 65 residues pruned to eliminate duplicates Z: 62 50.427 2.249 0.902 0.534 0.885 0.590 CB 1.649 62 residues pruned to eliminate duplicates Z: 35 44.256 2.239 1.064 0.578 0.941 0.706 CA 1.618 35 residues pruned to eliminate duplicates Z: 61 50.231 2.259 0.957 0.493 0.917 0.533 CB 1.612 61 residues pruned to eliminate duplicates Z: 18 31.916 2.307 0.924 0.751 0.824 0.647 CB 1.692 18 residues pruned to eliminate duplicates Z: 48 46.359 2.377 1.012 0.477 0.872 0.553 CB 1.660 48 residues pruned to eliminate duplicates Z: 93 58.677 2.225 0.865 0.529 0.902 0.598 CB 1.589 93 residues pruned to eliminate duplicates Z: 113 65.794 2.233 0.978 0.504 0.911 0.518 CB 1.540 113 residues pruned to eliminate duplicates Z: 79 55.852 2.255 0.987 0.511 0.872 0.551 CB 1.602 79 residues pruned to eliminate duplicates Z: 47 37.282 2.213 0.838 0.442 0.913 0.435 CB 1.572 47 residues pruned to eliminate duplicates Z: 27 28.183 2.184 1.120 0.604 0.808 0.538 CB 1.339 27 residues pruned to eliminate duplicates Z: 33 39.061 2.311 1.065 0.502 0.906 0.625 CB 1.594 33 residues pruned to eliminate duplicates Z: 45 46.817 2.354 0.924 0.541 0.864 0.500 CB 1.734 45 residues pruned to eliminate duplicates Z: 63 47.628 2.222 0.877 0.522 0.903 0.419 CB 1.572 63 residues pruned to eliminate duplicates Z: 61 48.839 2.230 0.980 0.475 0.933 0.433 CB 1.569 61 residues pruned to eliminate duplicates Z: 44 46.017 2.429 1.004 0.512 0.837 0.372 CB 1.702 44 residues pruned to eliminate duplicates Z: 107 60.586 2.229 0.950 0.498 0.868 0.500 CB 1.564 107 residues pruned to eliminate duplicates Z: 68 43.241 2.254 0.933 0.388 0.866 0.507 CB 1.577 68 residues pruned to eliminate duplicates Z: 76 56.098 2.331 0.984 0.481 0.853 0.573 CB 1.673 76 residues pruned to eliminate duplicates Z: 91 58.465 2.188 0.887 0.504 0.944 0.489 CB 1.575 91 residues pruned to eliminate duplicates Z: 99 57.993 2.272 0.847 0.459 0.898 0.490 CB 1.621 99 residues pruned to eliminate duplicates Z: 99 61.657 2.222 0.988 0.479 0.888 0.510 CB 1.623 99 residues pruned to eliminate duplicates Z: 38 43.096 2.246 1.007 0.495 0.892 0.432 CB 1.771 38 residues pruned to eliminate duplicates Z: 88 58.115 2.292 1.014 0.483 0.839 0.506 CB 1.636 88 residues pruned to eliminate duplicates Z: 38 55.695 2.412 1.106 0.568 0.946 0.486 CB 1.783 38 residues pruned to eliminate duplicates Z: 47 46.461 2.335 1.059 0.463 0.870 0.522 CB 1.701 47 residues pruned to eliminate duplicates Z: 40 48.951 2.389 1.034 0.550 0.897 0.538 CB 1.711 40 residues pruned to eliminate duplicates Z: 37 51.935 2.362 1.105 0.519 0.972 0.611 CA 1.758 37 residues pruned to eliminate duplicates Z: 61 52.215 2.253 1.046 0.529 0.883 0.500 CB 1.609 61 residues pruned to eliminate duplicates Z: 44 48.210 2.362 1.088 0.472 0.907 0.442 CB 1.692 44 residues pruned to eliminate duplicates Z: 43 52.375 2.342 1.075 0.521 0.976 0.548 CB 1.669 43 residues pruned to eliminate duplicates Z: 46 52.147 2.343 1.142 0.507 0.911 0.467 CB 1.688 46 residues pruned to eliminate duplicates Z: 67 54.984 2.322 0.970 0.483 0.894 0.500 CB 1.685 67 residues pruned to eliminate duplicates Z: 54 55.388 2.319 1.085 0.507 0.943 0.491 CB 1.657 54 residues pruned to eliminate duplicates Z: 47 46.200 2.263 0.945 0.473 0.913 0.543 CB 1.741 47 residues pruned to eliminate duplicates Z: 107 64.886 2.251 0.996 0.474 0.858 0.491 CB 1.678 107 residues pruned to eliminate duplicates Z: 23 13.916 1.993 0.633 0.376 0.773 0.409 CB 1.346 23 residues pruned to eliminate duplicates Z: 64 49.985 2.242 1.016 0.485 0.921 0.587 CB 1.537 64 residues pruned to eliminate duplicates Z: 14 18.077 2.108 0.900 0.533 0.923 0.538 CB 1.313 14 residues pruned to eliminate duplicates Z: 61 52.688 2.252 0.931 0.551 0.933 0.467 CB 1.594 61 residues pruned to eliminate duplicates Z: 17 15.901 2.066 0.994 0.440 0.812 0.438 CB 1.264 17 residues pruned to eliminate duplicates Z: 27 20.974 2.057 0.912 0.490 0.769 0.423 CB 1.374 27 residues pruned to eliminate duplicates Z: 56 44.305 2.247 0.905 0.506 0.818 0.418 CB 1.695 56 residues pruned to eliminate duplicates Z: 61 54.554 2.265 1.038 0.563 0.900 0.417 CB 1.595 61 residues pruned to eliminate duplicates Z: 67 49.621 2.186 0.931 0.496 0.924 0.470 CB 1.572 67 residues pruned to eliminate duplicates Z: 60 52.454 2.207 1.117 0.507 0.881 0.492 CB 1.647 60 residues pruned to eliminate duplicates Z: 50 42.921 2.122 0.988 0.574 0.898 0.633 CB 1.508 50 residues pruned to eliminate duplicates Z: 46 36.696 2.055 0.922 0.591 0.911 0.622 CB 1.393 46 residues pruned to eliminate duplicates Z: 43 36.742 2.098 0.879 0.610 0.905 0.405 CB 1.431 43 residues pruned to eliminate duplicates Z: 64 51.365 2.245 1.030 0.523 0.905 0.444 CB 1.535 64 residues pruned to eliminate duplicates Z: 113 61.481 2.238 0.928 0.480 0.866 0.509 CB 1.586 113 residues pruned to eliminate duplicates Z: 67 65.791 2.318 1.147 0.534 0.939 0.515 CB 1.676 67 residues pruned to eliminate duplicates Z: 60 53.658 2.208 1.081 0.519 0.915 0.475 CB 1.630 60 residues pruned to eliminate duplicates Z: 25 31.733 2.131 1.054 0.564 0.917 0.583 CA 1.517 25 residues pruned to eliminate duplicates Z: 22 19.529 1.949 0.844 0.451 0.952 0.524 CB 1.309 22 residues pruned to eliminate duplicates Z: 69 63.392 2.256 1.073 0.546 0.956 0.515 CB 1.645 69 residues pruned to eliminate duplicates Z: 58 44.008 2.135 0.877 0.556 0.947 0.649 CB 1.454 58 residues pruned to eliminate duplicates Z: 65 50.214 2.147 0.948 0.598 0.906 0.531 CB 1.508 65 residues pruned to eliminate duplicates Z: 67 56.643 2.217 1.039 0.516 0.924 0.561 CB 1.643 67 residues pruned to eliminate duplicates Z: 88 62.855 2.292 1.046 0.492 0.862 0.552 CB 1.681 88 residues pruned to eliminate duplicates Z: 91 66.424 2.271 1.082 0.548 0.878 0.544 CB 1.610 91 residues pruned to eliminate duplicates Z: 86 60.357 2.196 0.959 0.534 0.929 0.553 CB 1.583 86 residues pruned to eliminate duplicates Z: 124 74.440 2.264 0.992 0.508 0.919 0.512 CB 1.607 124 residues pruned to eliminate duplicates Z: 118 74.163 2.248 1.049 0.498 0.915 0.530 CB 1.630 118 residues pruned to eliminate duplicates Z: 67 47.706 2.187 0.860 0.517 0.909 0.530 CB 1.562 67 residues pruned to eliminate duplicates Z: 94 65.493 2.206 1.024 0.538 0.925 0.495 CB 1.584 94 residues pruned to eliminate duplicates Z: 23 32.187 2.200 0.797 0.672 0.909 0.727 CA 1.630 23 residues pruned to eliminate duplicates Z: 53 42.124 2.114 0.903 0.577 0.923 0.615 CB 1.461 53 residues pruned to eliminate duplicates Z: 23 32.222 2.246 0.808 0.657 0.909 0.682 CB 1.609 23 residues pruned to eliminate duplicates Z: 37 34.177 2.052 0.757 0.604 0.889 0.639 CB 1.610 37 residues pruned to eliminate duplicates Z: 84 64.177 2.253 0.961 0.587 0.916 0.614 CB 1.602 84 residues pruned to eliminate duplicates Z: 91 64.412 2.248 1.015 0.547 0.922 0.456 CB 1.551 91 residues pruned to eliminate duplicates Z: 69 55.926 2.214 0.963 0.518 0.912 0.544 CB 1.681 69 residues pruned to eliminate duplicates Z: 116 72.951 2.236 1.003 0.534 0.922 0.574 CB 1.595 116 residues pruned to eliminate duplicates Z: 82 46.094 2.116 0.946 0.464 0.864 0.506 CB 1.494 82 residues pruned to eliminate duplicates Z: 27 29.509 2.107 0.673 0.583 0.962 0.692 CB 1.577 27 residues pruned to eliminate duplicates Z: 95 62.625 2.223 1.023 0.528 0.883 0.628 CB 1.582 95 residues pruned to eliminate duplicates Z: 50 43.293 2.153 0.843 0.595 0.939 0.633 CB 1.516 50 residues pruned to eliminate duplicates Z: 29 28.455 2.090 0.764 0.591 0.821 0.679 CA 1.626 29 residues pruned to eliminate duplicates Z: 103 60.521 2.195 0.959 0.503 0.902 0.559 CB 1.540 103 residues pruned to eliminate duplicates Z: 56 43.197 2.077 0.915 0.538 0.891 0.491 CB 1.583 56 residues pruned to eliminate duplicates Z: 84 64.020 2.218 0.999 0.543 0.916 0.578 CB 1.661 84 residues pruned to eliminate duplicates Z: 25 28.097 2.200 0.756 0.621 0.875 0.667 CB 1.514 25 residues pruned to eliminate duplicates Z: 90 59.839 2.212 0.941 0.557 0.910 0.506 CB 1.535 90 residues pruned to eliminate duplicates Z: 9 13.930 2.106 0.819 0.529 0.875 0.500 CB 1.427 9 residues pruned to eliminate duplicates Z: 12 9.430 1.879 0.731 0.407 0.727 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 103 62.074 2.216 0.914 0.537 0.882 0.490 CB 1.584 103 residues pruned to eliminate duplicates Z: 18 14.638 1.990 0.645 0.421 0.882 0.471 CB 1.335 18 residues pruned to eliminate duplicates Z: 29 28.314 2.092 0.966 0.455 0.929 0.536 CB 1.468 29 residues pruned to eliminate duplicates Z: 14 17.379 1.994 0.902 0.465 0.846 0.462 CB 1.556 14 residues pruned to eliminate duplicates Z: 27 21.951 2.164 0.620 0.454 0.923 0.385 CB 1.395 27 residues pruned to eliminate duplicates Z: 28 27.350 2.109 0.801 0.480 0.852 0.444 CB 1.659 28 residues pruned to eliminate duplicates Z: 28 29.432 2.108 0.918 0.476 0.889 0.481 CB 1.615 28 residues pruned to eliminate duplicates Z: 27 29.825 2.166 0.717 0.535 0.923 0.577 CB 1.647 27 residues pruned to eliminate duplicates Z: 118 73.216 2.249 0.988 0.518 0.932 0.581 CB 1.597 118 residues pruned to eliminate duplicates Z: 27 24.991 2.111 0.660 0.464 0.923 0.692 CB 1.572 27 residues pruned to eliminate duplicates Z: 22 25.779 2.246 0.677 0.434 0.952 0.571 CB 1.679 22 residues pruned to eliminate duplicates Z: 32 27.077 2.266 0.711 0.374 0.903 0.484 CB 1.589 32 residues pruned to eliminate duplicates Z: 13 12.391 2.139 0.836 0.305 0.917 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 22 27.584 2.327 0.795 0.448 0.952 0.524 CB 1.597 22 residues pruned to eliminate duplicates Z: 16 17.804 2.155 0.906 0.402 0.867 0.400 CA 1.433 16 residues pruned to eliminate duplicates Z: 21 23.319 2.254 0.870 0.410 0.850 0.500 CB 1.599 21 residues pruned to eliminate duplicates Z: 15 21.511 2.317 0.904 0.423 0.929 0.429 CB 1.521 15 residues pruned to eliminate duplicates Z: 16 21.757 2.269 0.885 0.441 0.867 0.600 CB 1.610 16 residues pruned to eliminate duplicates Z: 23 18.222 2.230 0.797 0.315 0.864 0.455 CB 1.377 23 residues pruned to eliminate duplicates Z: 19 17.447 2.173 0.783 0.348 0.833 0.444 CB 1.503 19 residues pruned to eliminate duplicates Z: 24 18.028 2.196 0.807 0.310 0.870 0.435 CB 1.345 24 residues pruned to eliminate duplicates Z: 124 69.707 2.229 1.004 0.505 0.894 0.528 CB 1.565 124 residues pruned to eliminate duplicates Z: 22 13.623 2.108 0.702 0.355 0.762 0.381 CB 1.272 22 residues pruned to eliminate duplicates Z: 39 27.089 2.227 0.800 0.441 0.816 0.500 CB 1.428 39 residues pruned to eliminate duplicates Z: 16 14.873 2.244 0.726 0.329 0.867 0.467 CB 1.381 16 residues pruned to eliminate duplicates Z: 58 40.024 2.311 0.802 0.462 0.825 0.614 CB 1.604 58 residues pruned to eliminate duplicates Z: 13 17.473 2.321 0.555 0.503 0.917 0.500 CA 1.520 13 residues pruned to eliminate duplicates Z: 13 12.975 2.274 0.352 0.576 0.750 0.500 CA 1.510 13 residues pruned to eliminate duplicates Z: 20 17.056 2.202 0.583 0.452 0.789 0.474 CB 1.493 20 residues pruned to eliminate duplicates Z: 35 18.719 2.153 0.510 0.360 0.794 0.471 CB 1.446 35 residues pruned to eliminate duplicates Z: 34 22.843 2.174 0.582 0.380 0.879 0.455 CB 1.496 34 residues pruned to eliminate duplicates Z: 10 21.429 2.321 0.739 0.704 0.889 0.778 CA 1.654 10 residues pruned to eliminate duplicates Z: 39 42.923 2.334 0.784 0.520 0.974 0.684 CB 1.683 42 residues pruned to eliminate duplicates Z: 9 12.776 2.023 0.521 0.803 0.875 0.750 CA 1.287 9 residues pruned to eliminate duplicates Z: 14 16.811 2.147 0.265 0.618 0.923 0.692 CB 1.664 14 residues pruned to eliminate duplicates Z: 13 16.908 2.249 0.457 0.494 0.917 0.667 CA 1.635 13 residues pruned to eliminate duplicates Z: 45 38.129 2.304 0.763 0.473 0.864 0.682 CB 1.684 45 residues pruned to eliminate duplicates Z: 41 38.170 2.346 0.728 0.526 0.875 0.750 CB 1.658 41 residues pruned to eliminate duplicates Z: 41 39.447 2.349 0.741 0.506 0.925 0.700 CB 1.639 41 residues pruned to eliminate duplicates Z: 24 33.727 2.164 0.759 0.757 0.957 0.609 CB 1.537 24 residues pruned to eliminate duplicates Z: 41 40.511 2.346 0.789 0.522 0.925 0.575 CB 1.615 41 residues pruned to eliminate duplicates Z: 14 36.918 2.162 1.326 0.868 1.000 0.538 CB 1.489 14 residues pruned to eliminate duplicates Z: 30 37.296 2.353 0.944 0.557 0.931 0.655 CB 1.538 30 residues pruned to eliminate duplicates Z: 14 37.527 2.225 1.387 0.846 1.000 0.538 CB 1.457 14 residues pruned to eliminate duplicates Z: 30 35.155 2.388 0.933 0.528 0.897 0.483 CB 1.534 30 residues pruned to eliminate duplicates Z: 13 45.918 2.385 1.240 0.885 1.000 0.500 CA 1.792 13 residues pruned to eliminate duplicates Z: 38 30.950 2.225 0.783 0.447 0.892 0.595 CB 1.518 38 residues pruned to eliminate duplicates Z: 41 45.807 2.354 0.880 0.536 0.975 0.675 CB 1.620 41 residues pruned to eliminate duplicates Z: 13 37.973 2.163 1.463 0.899 0.917 0.500 CA 1.605 13 residues pruned to eliminate duplicates Z: 29 37.033 2.349 0.930 0.553 0.929 0.714 CB 1.579 29 residues pruned to eliminate duplicates Z: 41 43.063 2.333 0.991 0.512 0.925 0.650 CB 1.565 41 residues pruned to eliminate duplicates Z: 15 35.771 2.277 1.283 0.770 0.929 0.500 CB 1.559 15 residues pruned to eliminate duplicates Z: 20 19.714 2.193 0.563 0.457 0.842 0.632 CB 1.636 19 residues pruned to eliminate duplicates Z: 6 6.467 1.461 1.167 0.452 1.000 0.800 CA 0.960 6 residues pruned to eliminate duplicates Z: 20 17.994 2.143 0.600 0.378 0.895 0.632 CB 1.533 20 residues pruned to eliminate duplicates Z: 6 4.385 2.232 0.369 0.296 0.800 0.600 CB 1.008 6 residues pruned to eliminate duplicates Z: 20 16.195 2.209 0.359 0.380 0.895 0.474 CB 1.572 20 residues pruned to eliminate duplicates Z: 41 44.333 2.350 0.994 0.499 0.925 0.425 CB 1.619 41 residues pruned to eliminate duplicates Z: 66 36.961 2.285 0.674 0.402 0.892 0.415 CB 1.489 66 residues pruned to eliminate duplicates Z: 41 47.581 2.348 1.020 0.550 0.925 0.550 CB 1.634 42 residues pruned to eliminate duplicates Z: 7 7.412 2.152 0.260 0.274 1.000 0.500 CA 1.442 7 residues pruned to eliminate duplicates Z: 30 39.469 2.343 0.955 0.578 0.931 0.655 CB 1.594 30 residues pruned to eliminate duplicates Z: 14 16.678 2.107 0.402 0.465 1.000 0.462 CB 1.623 14 residues pruned to eliminate duplicates Z: 41 44.227 2.349 0.823 0.559 0.950 0.700 CB 1.623 41 residues pruned to eliminate duplicates Z: 46 42.492 2.354 0.850 0.493 0.933 0.511 CB 1.570 46 residues pruned to eliminate duplicates Z: 60 38.101 2.274 0.720 0.452 0.864 0.390 CB 1.541 60 residues pruned to eliminate duplicates Z: 19 15.868 2.119 0.821 0.386 0.778 0.444 CB 1.407 19 residues pruned to eliminate duplicates Z: 45 34.980 2.154 0.814 0.561 0.909 0.636 CB 1.399 45 residues pruned to eliminate duplicates Z: 6 4.203 1.717 0.930 0.265 0.600 0.400 CB 1.237 6 residues pruned to eliminate duplicates Z: 17 26.275 2.212 1.194 0.525 0.875 0.562 CB 1.509 17 residues pruned to eliminate duplicates Z: 19 21.043 1.987 1.139 0.518 0.833 0.611 CB 1.375 18 residues pruned to eliminate duplicates Z: 6 5.350 1.797 0.788 0.100 1.000 0.600 CA 1.242 6 residues pruned to eliminate duplicates Z: 41 25.324 2.046 0.748 0.399 0.875 0.500 CB 1.424 41 residues pruned to eliminate duplicates Z: 16 16.220 2.150 0.882 0.425 0.867 0.600 CB 1.291 16 residues pruned to eliminate duplicates Z: 17 21.373 2.237 1.006 0.447 0.938 0.562 CB 1.341 17 residues pruned to eliminate duplicates Z: 24 16.901 2.057 0.630 0.487 0.783 0.522 CB 1.361 24 residues pruned to eliminate duplicates Z: 21 16.249 2.105 0.836 0.355 0.850 0.400 CB 1.294 21 residues pruned to eliminate duplicates Z: 37 34.195 2.208 0.986 0.451 0.861 0.583 CB 1.587 37 residues pruned to eliminate duplicates Z: 21 18.394 2.138 0.761 0.422 0.850 0.500 CB 1.394 21 residues pruned to eliminate duplicates Z: 9 10.578 2.162 1.016 0.295 1.000 0.375 CB 1.079 9 residues pruned to eliminate duplicates Z: 25 30.679 2.238 1.019 0.466 0.833 0.583 CA 1.721 25 residues pruned to eliminate duplicates Z: 83 55.520 2.343 0.894 0.481 0.829 0.512 CB 1.699 83 residues pruned to eliminate duplicates Z: 38 37.717 2.199 0.923 0.476 0.946 0.595 CB 1.587 38 residues pruned to eliminate duplicates Z: 27 24.863 2.085 0.757 0.436 0.846 0.615 CB 1.680 27 residues pruned to eliminate duplicates Z: 24 26.198 2.189 0.978 0.448 0.870 0.565 CB 1.530 24 residues pruned to eliminate duplicates Z: 28 33.027 2.226 0.938 0.506 0.852 0.593 CB 1.720 28 residues pruned to eliminate duplicates Z: 38 34.532 2.202 0.971 0.440 0.919 0.568 CB 1.514 38 residues pruned to eliminate duplicates Z: 26 25.465 2.206 0.881 0.445 0.840 0.560 CB 1.546 26 residues pruned to eliminate duplicates Z: 37 36.802 2.288 1.033 0.452 0.917 0.500 CB 1.510 37 residues pruned to eliminate duplicates Z: 28 25.944 2.183 0.799 0.393 0.889 0.444 CB 1.602 28 residues pruned to eliminate duplicates Z: 37 40.170 2.228 1.045 0.486 0.917 0.583 CB 1.625 37 residues pruned to eliminate duplicates Z: 21 35.162 2.362 1.188 0.489 0.900 0.600 CB 1.710 21 residues pruned to eliminate duplicates Z: 26 30.392 2.262 1.137 0.418 0.880 0.480 CB 1.556 26 residues pruned to eliminate duplicates Z: 31 29.102 2.133 1.039 0.439 0.867 0.400 CB 1.501 31 residues pruned to eliminate duplicates Z: 34 24.862 2.138 0.884 0.316 0.848 0.394 CB 1.551 34 residues pruned to eliminate duplicates Z: 36 24.378 2.262 0.946 0.337 0.743 0.514 CB 1.505 36 residues pruned to eliminate duplicates Z: 41 34.838 2.227 0.972 0.417 0.900 0.550 CB 1.520 41 residues pruned to eliminate duplicates Z: 26 23.956 2.206 0.912 0.490 0.760 0.480 CB 1.510 26 residues pruned to eliminate duplicates Z: 26 30.317 2.218 1.048 0.484 0.840 0.520 CB 1.614 26 residues pruned to eliminate duplicates Z: 29 23.442 2.226 0.947 0.364 0.714 0.464 CB 1.656 29 residues pruned to eliminate duplicates Z: 30 26.356 2.261 0.908 0.443 0.793 0.655 CB 1.516 30 residues pruned to eliminate duplicates Z: 6 6.694 2.160 0.876 0.364 0.600 0.600 CA 1.424 6 residues pruned to eliminate duplicates Z: 31 28.403 2.264 0.798 0.436 0.833 0.467 CB 1.633 31 residues pruned to eliminate duplicates Z: 96 69.340 2.355 1.030 0.501 0.874 0.579 CB 1.701 96 residues pruned to eliminate duplicates Z: 119 72.492 2.331 0.912 0.490 0.881 0.525 CB 1.716 119 residues pruned to eliminate duplicates Z: 80 54.815 2.346 0.950 0.453 0.835 0.519 CB 1.693 80 residues pruned to eliminate duplicates Z: 67 48.382 2.317 0.910 0.446 0.864 0.530 CB 1.648 67 residues pruned to eliminate duplicates Z: 81 58.321 2.345 0.970 0.478 0.838 0.575 CB 1.724 81 residues pruned to eliminate duplicates Z: 76 62.136 2.412 0.991 0.487 0.880 0.600 CB 1.721 76 residues pruned to eliminate duplicates Z: 60 56.153 2.384 0.927 0.553 0.898 0.492 CB 1.682 60 residues pruned to eliminate duplicates Z: 91 54.436 2.340 0.897 0.454 0.844 0.511 CB 1.606 91 residues pruned to eliminate duplicates Z: 72 57.964 2.365 0.961 0.496 0.859 0.592 CB 1.733 72 residues pruned to eliminate duplicates Z: 77 53.128 2.290 0.959 0.489 0.829 0.526 CB 1.657 77 residues pruned to eliminate duplicates Z: 67 47.416 2.352 0.816 0.476 0.879 0.515 CB 1.593 67 residues pruned to eliminate duplicates Z: 62 58.601 2.405 1.024 0.466 0.918 0.623 CB 1.739 62 residues pruned to eliminate duplicates Z: 71 62.187 2.376 1.030 0.515 0.886 0.571 CB 1.715 71 residues pruned to eliminate duplicates Z: 48 62.197 2.493 1.120 0.550 0.894 0.617 CB 1.829 48 residues pruned to eliminate duplicates Z: 63 64.376 2.435 1.171 0.506 0.903 0.484 CB 1.702 63 residues pruned to eliminate duplicates Z: 43 50.376 2.482 1.118 0.549 0.833 0.405 CB 1.692 43 residues pruned to eliminate duplicates Z: 38 63.882 2.513 1.240 0.568 0.946 0.622 CB 1.847 38 residues pruned to eliminate duplicates Z: 88 65.093 2.348 0.970 0.493 0.897 0.517 CB 1.695 88 residues pruned to eliminate duplicates Z: 66 53.913 2.341 0.953 0.494 0.892 0.523 CB 1.649 66 residues pruned to eliminate duplicates Z: 60 53.605 2.357 1.080 0.466 0.864 0.407 CB 1.704 60 residues pruned to eliminate duplicates Z: 48 59.171 2.423 1.082 0.556 0.936 0.596 CB 1.730 48 residues pruned to eliminate duplicates Z: 37 61.549 2.530 1.192 0.540 0.944 0.583 CB 1.883 37 residues pruned to eliminate duplicates Z: 48 35.409 2.179 0.821 0.497 0.809 0.553 CB 1.615 48 residues pruned to eliminate duplicates Z: 37 54.650 2.477 1.120 0.550 0.917 0.500 CB 1.803 37 residues pruned to eliminate duplicates Z: 96 69.000 2.352 1.040 0.529 0.863 0.621 CB 1.662 96 residues pruned to eliminate duplicates Z: 36 54.333 2.551 1.196 0.521 0.914 0.600 CB 1.756 36 residues pruned to eliminate duplicates Z: 84 66.676 2.317 1.014 0.516 0.916 0.542 CB 1.686 84 residues pruned to eliminate duplicates Z: 42 37.286 2.307 0.811 0.452 0.902 0.512 CB 1.623 42 residues pruned to eliminate duplicates Z: 86 65.846 2.369 0.986 0.485 0.894 0.588 CB 1.723 86 residues pruned to eliminate duplicates Z: 70 57.794 2.359 1.011 0.472 0.899 0.435 CB 1.679 70 residues pruned to eliminate duplicates Z: 68 54.976 2.370 1.058 0.480 0.851 0.567 CB 1.651 68 residues pruned to eliminate duplicates Z: 97 66.459 2.377 0.947 0.505 0.896 0.490 CB 1.628 97 residues pruned to eliminate duplicates Z: 66 55.268 2.353 0.954 0.487 0.938 0.508 CB 1.609 66 residues pruned to eliminate duplicates Z: 49 69.599 2.517 1.203 0.545 0.958 0.479 CB 1.809 49 residues pruned to eliminate duplicates Z: 58 62.723 2.430 1.136 0.514 0.930 0.579 CB 1.697 58 residues pruned to eliminate duplicates Z: 111 71.967 2.307 1.043 0.500 0.882 0.555 CB 1.650 111 residues pruned to eliminate duplicates Z: 77 68.181 2.391 1.154 0.473 0.921 0.487 CB 1.694 77 residues pruned to eliminate duplicates Z: 86 67.696 2.338 1.079 0.492 0.941 0.576 CB 1.617 86 residues pruned to eliminate duplicates Z: 111 75.579 2.257 1.022 0.532 0.945 0.509 CB 1.618 111 residues pruned to eliminate duplicates Z: 25 30.408 2.354 0.890 0.378 0.917 0.417 CB 1.733 25 residues pruned to eliminate duplicates Z: 64 58.347 2.394 0.953 0.494 0.921 0.524 CB 1.717 64 residues pruned to eliminate duplicates Z: 81 64.789 2.385 1.087 0.472 0.887 0.525 CB 1.687 81 residues pruned to eliminate duplicates Z: 57 63.357 2.454 0.948 0.529 0.946 0.500 CB 1.818 57 residues pruned to eliminate duplicates Z: 62 50.255 2.314 0.859 0.469 0.918 0.541 CB 1.682 62 residues pruned to eliminate duplicates Z: 116 63.767 2.270 0.896 0.465 0.861 0.504 CB 1.664 116 residues pruned to eliminate duplicates Z: 60 62.139 2.429 1.016 0.535 0.915 0.559 CB 1.744 60 residues pruned to eliminate duplicates Z: 75 49.333 2.206 0.900 0.492 0.865 0.541 CB 1.595 75 residues pruned to eliminate duplicates Z: 65 72.017 2.428 1.150 0.545 0.953 0.562 CB 1.732 65 residues pruned to eliminate duplicates Z: 112 75.610 2.279 0.989 0.491 0.910 0.532 CB 1.755 112 residues pruned to eliminate duplicates Z: 87 71.760 2.387 1.035 0.495 0.942 0.558 CB 1.700 87 residues pruned to eliminate duplicates Z: 26 33.460 2.220 0.965 0.553 0.920 0.520 CB 1.585 26 residues pruned to eliminate duplicates Z: 59 68.156 2.453 1.100 0.557 0.948 0.552 CB 1.733 59 residues pruned to eliminate duplicates Z: 98 71.117 2.331 1.049 0.510 0.918 0.526 CB 1.631 98 residues pruned to eliminate duplicates Z: 83 76.059 2.284 1.057 0.571 0.951 0.573 CB 1.755 83 residues pruned to eliminate duplicates Z: 58 45.686 2.306 0.984 0.427 0.842 0.544 CB 1.695 58 residues pruned to eliminate duplicates Z: 79 69.493 2.316 0.939 0.528 0.949 0.526 CB 1.796 79 residues pruned to eliminate duplicates Z: 87 65.847 2.247 0.940 0.512 0.942 0.535 CB 1.709 87 residues pruned to eliminate duplicates Z: 95 67.542 2.268 1.004 0.538 0.904 0.585 CB 1.633 95 residues pruned to eliminate duplicates Z: 107 69.793 2.277 1.012 0.481 0.906 0.500 CB 1.665 107 residues pruned to eliminate duplicates Z: 30 26.690 1.960 0.716 0.549 0.931 0.655 CB 1.509 30 residues pruned to eliminate duplicates Z: 152 73.966 2.242 0.899 0.493 0.914 0.530 CB 1.558 152 residues pruned to eliminate duplicates Z: 92 61.751 2.307 0.986 0.493 0.912 0.582 CB 1.559 92 residues pruned to eliminate duplicates Z: 24 34.716 2.185 0.961 0.653 0.913 0.652 CB 1.605 24 residues pruned to eliminate duplicates Z: 29 30.924 2.188 0.906 0.576 0.857 0.714 CB 1.520 29 residues pruned to eliminate duplicates Z: 117 74.126 2.305 0.992 0.513 0.897 0.534 CB 1.650 117 residues pruned to eliminate duplicates Z: 110 77.141 2.296 1.031 0.529 0.927 0.541 CB 1.661 110 residues pruned to eliminate duplicates Z: 22 38.376 2.271 0.985 0.689 0.905 0.667 CB 1.727 22 residues pruned to eliminate duplicates Z: 25 31.409 2.084 0.835 0.628 0.958 0.708 CB 1.550 25 residues pruned to eliminate duplicates Z: 30 31.680 2.143 0.932 0.540 0.897 0.655 CB 1.525 30 residues pruned to eliminate duplicates Z: 29 30.831 2.124 1.001 0.553 0.857 0.679 CB 1.519 29 residues pruned to eliminate duplicates Z: 25 39.249 2.134 1.063 0.648 1.000 0.667 CB 1.585 25 residues pruned to eliminate duplicates Z: 23 39.634 2.203 0.946 0.696 1.000 0.773 CA 1.648 23 residues pruned to eliminate duplicates Z: 69 42.143 2.109 0.847 0.502 0.897 0.515 CB 1.459 69 residues pruned to eliminate duplicates Z: 23 41.726 2.210 1.100 0.662 0.955 0.727 CA 1.729 23 residues pruned to eliminate duplicates Z: 29 30.601 2.144 0.925 0.557 0.857 0.571 CB 1.547 29 residues pruned to eliminate duplicates Z: 39 43.725 2.192 0.955 0.585 0.921 0.658 CB 1.656 39 residues pruned to eliminate duplicates Z: 93 77.907 2.269 1.076 0.580 0.935 0.587 CB 1.709 93 residues pruned to eliminate duplicates Z: 116 84.752 2.315 1.100 0.543 0.922 0.591 CB 1.691 116 residues pruned to eliminate duplicates Z: 29 30.509 2.164 0.882 0.570 0.857 0.571 CB 1.543 29 residues pruned to eliminate duplicates Z: 43 37.376 2.213 1.011 0.533 0.881 0.595 CB 1.425 43 residues pruned to eliminate duplicates Z: 30 33.781 2.155 0.939 0.574 0.862 0.621 CB 1.621 30 residues pruned to eliminate duplicates Z: 51 44.187 2.149 0.976 0.537 0.900 0.540 CB 1.577 51 residues pruned to eliminate duplicates Z: 24 29.920 2.204 0.826 0.616 0.870 0.652 CB 1.597 24 residues pruned to eliminate duplicates Z: 38 42.369 2.192 0.956 0.568 0.919 0.649 CB 1.655 38 residues pruned to eliminate duplicates Z: 49 39.374 2.184 0.825 0.540 0.875 0.521 CB 1.567 49 residues pruned to eliminate duplicates Z: 54 40.605 2.175 0.928 0.531 0.868 0.528 CB 1.487 54 residues pruned to eliminate duplicates Z: 30 28.939 2.131 0.842 0.574 0.828 0.655 CB 1.540 30 residues pruned to eliminate duplicates Z: 8 7.150 1.916 0.496 0.306 0.857 0.429 CA 1.365 8 residues pruned to eliminate duplicates Z: 30 31.457 2.124 0.961 0.571 0.897 0.586 CB 1.460 30 residues pruned to eliminate duplicates Z: 16 13.874 2.009 0.785 0.394 0.733 0.400 CB 1.525 16 residues pruned to eliminate duplicates Z: 18 14.403 2.055 0.639 0.430 0.706 0.412 CB 1.579 18 residues pruned to eliminate duplicates Z: 22 18.607 1.994 0.663 0.383 0.857 0.524 CB 1.617 22 residues pruned to eliminate duplicates Z: 30 18.888 1.987 0.731 0.405 0.862 0.552 CB 1.307 30 residues pruned to eliminate duplicates Z: 31 19.876 2.069 0.610 0.428 0.867 0.433 CB 1.354 31 residues pruned to eliminate duplicates Z: 14 22.345 2.143 0.663 0.592 0.923 0.385 CB 1.725 14 residues pruned to eliminate duplicates Z: 28 20.522 1.941 0.611 0.452 0.889 0.296 CB 1.493 28 residues pruned to eliminate duplicates Z: 31 23.033 2.108 0.559 0.473 0.933 0.467 CB 1.409 31 residues pruned to eliminate duplicates Z: 20 16.939 1.999 0.579 0.467 0.842 0.421 CB 1.511 20 residues pruned to eliminate duplicates Z: 25 13.599 1.877 0.652 0.412 0.750 0.417 CB 1.309 25 residues pruned to eliminate duplicates Z: 41 40.852 2.119 0.931 0.647 0.950 0.550 CB 1.449 41 residues pruned to eliminate duplicates Z: 41 31.247 2.098 0.857 0.561 0.825 0.575 CB 1.449 41 residues pruned to eliminate duplicates Z: 44 37.938 2.037 0.926 0.577 0.907 0.558 CB 1.510 44 residues pruned to eliminate duplicates Z: 10 23.331 2.321 0.896 0.573 1.000 0.778 CB 1.646 10 residues pruned to eliminate duplicates Z: 38 38.840 2.276 1.063 0.481 0.919 0.676 CB 1.510 38 residues pruned to eliminate duplicates Z: 17 18.914 2.309 0.812 0.478 0.875 0.562 CB 1.321 17 residues pruned to eliminate duplicates Z: 13 16.558 2.121 0.682 0.501 0.917 0.667 CB 1.461 13 residues pruned to eliminate duplicates Z: 12 19.346 2.166 0.714 0.452 1.000 0.909 CB 1.651 12 residues pruned to eliminate duplicates Z: 17 14.295 2.194 0.786 0.423 0.812 0.562 CB 1.215 23 residues pruned to eliminate duplicates Z: 6 3.788 1.410 0.665 0.421 1.000 0.600 N 0.784 6 residues pruned to eliminate duplicates Z: 16 10.127 1.964 0.500 0.513 0.800 0.600 CB 1.094 16 residues pruned to eliminate duplicates Z: 23 38.096 2.333 1.038 0.505 0.909 0.591 CB 1.870 23 residues pruned to eliminate duplicates Z: 35 32.559 2.280 0.993 0.387 0.824 0.500 CB 1.682 35 residues pruned to eliminate duplicates Z: 24 36.238 2.271 1.356 0.463 0.870 0.565 CB 1.686 24 residues pruned to eliminate duplicates Z: 23 35.421 2.363 1.162 0.453 0.864 0.682 CA 1.796 23 residues pruned to eliminate duplicates Z: 32 25.694 2.159 0.862 0.390 0.774 0.484 CB 1.666 32 residues pruned to eliminate duplicates Z: 29 26.077 2.180 1.085 0.392 0.857 0.571 CB 1.418 29 residues pruned to eliminate duplicates Z: 39 39.492 2.314 1.016 0.462 0.895 0.579 CB 1.596 39 residues pruned to eliminate duplicates Z: 6 3.717 1.602 0.937 0.216 0.600 0.200 CA 1.247 6 residues pruned to eliminate duplicates Z: 25 28.385 2.285 1.065 0.429 0.792 0.542 CB 1.669 25 residues pruned to eliminate duplicates Z: 24 30.503 2.324 1.027 0.426 0.826 0.478 CA 1.765 24 residues pruned to eliminate duplicates Z: 24 35.577 2.374 1.187 0.416 0.826 0.478 CB 1.889 24 residues pruned to eliminate duplicates Z: 18 9.816 1.904 0.534 0.258 0.882 0.353 CB 1.218 18 residues pruned to eliminate duplicates Z: 23 31.458 2.167 1.053 0.371 0.955 0.409 CB 1.812 23 residues pruned to eliminate duplicates Z: 22 33.216 2.290 1.186 0.398 0.905 0.524 CB 1.782 22 residues pruned to eliminate duplicates Z: 26 30.403 2.310 1.061 0.383 0.840 0.480 CB 1.722 26 residues pruned to eliminate duplicates Z: 62 58.069 2.413 1.015 0.495 0.885 0.525 CB 1.735 62 residues pruned to eliminate duplicates Z: 44 44.598 2.330 0.933 0.508 0.860 0.488 CB 1.742 44 residues pruned to eliminate duplicates Z: 11 11.115 2.163 0.774 0.362 0.700 0.600 CA 1.518 11 residues pruned to eliminate duplicates Z: 11 12.786 2.085 0.881 0.376 0.700 0.600 CB 1.681 11 residues pruned to eliminate duplicates Z: 54 46.043 2.338 0.986 0.480 0.868 0.453 CB 1.600 54 residues pruned to eliminate duplicates Z: 71 62.550 2.383 1.087 0.500 0.871 0.500 CB 1.725 71 residues pruned to eliminate duplicates Z: 72 50.966 2.308 0.915 0.495 0.845 0.507 CB 1.627 72 residues pruned to eliminate duplicates Z: 72 45.052 2.308 0.924 0.438 0.831 0.437 CB 1.545 72 residues pruned to eliminate duplicates Z: 60 56.822 2.402 1.023 0.487 0.898 0.542 CB 1.718 60 residues pruned to eliminate duplicates Z: 59 46.788 2.282 0.843 0.497 0.948 0.552 CB 1.546 59 residues pruned to eliminate duplicates Z: 37 46.153 2.356 1.044 0.540 0.944 0.639 CB 1.626 37 residues pruned to eliminate duplicates Z: 85 66.359 2.346 1.109 0.519 0.881 0.536 CB 1.629 85 residues pruned to eliminate duplicates Z: 52 46.821 2.382 0.941 0.486 0.882 0.510 CB 1.631 52 residues pruned to eliminate duplicates Z: 110 67.424 2.312 0.925 0.480 0.908 0.560 CB 1.629 112 residues pruned to eliminate duplicates Z: 16 38.418 2.294 1.086 0.830 0.933 0.600 CB 1.670 16 residues pruned to eliminate duplicates Z: 54 44.225 2.304 0.973 0.509 0.868 0.509 CB 1.526 54 residues pruned to eliminate duplicates Z: 59 53.910 2.299 1.086 0.520 0.914 0.603 CB 1.584 59 residues pruned to eliminate duplicates Z: 14 44.381 2.429 1.125 0.820 1.000 0.692 CB 1.807 14 residues pruned to eliminate duplicates Z: 36 42.024 2.231 1.041 0.575 0.943 0.629 CB 1.540 36 residues pruned to eliminate duplicates Z: 48 45.197 2.324 1.082 0.451 0.872 0.553 CB 1.642 48 residues pruned to eliminate duplicates Z: 44 44.740 2.266 1.043 0.547 0.884 0.651 CB 1.594 44 residues pruned to eliminate duplicates Z: 37 49.375 2.388 1.143 0.537 0.972 0.667 CB 1.595 37 residues pruned to eliminate duplicates Z: 102 57.863 2.281 0.948 0.472 0.851 0.485 CB 1.565 102 residues pruned to eliminate duplicates Z: 82 60.725 2.327 1.021 0.504 0.889 0.556 CB 1.607 82 residues pruned to eliminate duplicates Z: 97 71.376 2.313 0.992 0.572 0.917 0.531 CB 1.610 97 residues pruned to eliminate duplicates Z: 61 47.723 2.244 1.026 0.501 0.883 0.467 CB 1.532 61 residues pruned to eliminate duplicates Z: 46 46.427 2.312 1.090 0.491 0.911 0.422 CB 1.587 46 residues pruned to eliminate duplicates Z: 67 53.577 2.351 0.959 0.475 0.894 0.621 CB 1.644 67 residues pruned to eliminate duplicates Z: 67 53.644 2.297 1.032 0.502 0.909 0.424 CB 1.553 67 residues pruned to eliminate duplicates Z: 101 68.139 2.326 1.042 0.521 0.910 0.570 CB 1.544 101 residues pruned to eliminate duplicates Z: 62 55.922 2.327 1.014 0.488 0.918 0.557 CB 1.684 62 residues pruned to eliminate duplicates Z: 85 59.199 2.328 0.956 0.507 0.857 0.500 CB 1.643 85 residues pruned to eliminate duplicates Z: 86 60.611 2.310 1.064 0.486 0.871 0.506 CB 1.606 86 residues pruned to eliminate duplicates Z: 72 51.454 2.276 1.000 0.509 0.859 0.507 CB 1.547 72 residues pruned to eliminate duplicates Z: 81 50.544 2.293 1.003 0.441 0.825 0.512 CB 1.585 81 residues pruned to eliminate duplicates Z: 87 63.381 2.316 1.115 0.497 0.849 0.465 CB 1.648 87 residues pruned to eliminate duplicates Z: 62 58.096 2.386 1.056 0.487 0.902 0.525 CB 1.703 62 residues pruned to eliminate duplicates Z: 71 52.085 2.278 1.010 0.472 0.886 0.543 CB 1.580 71 residues pruned to eliminate duplicates Z: 46 32.988 2.277 0.906 0.420 0.756 0.578 CB 1.630 46 residues pruned to eliminate duplicates Z: 37 46.435 2.360 1.193 0.535 0.889 0.639 CB 1.625 37 residues pruned to eliminate duplicates Z: 58 49.248 2.272 0.981 0.517 0.860 0.509 CB 1.659 58 residues pruned to eliminate duplicates Z: 128 83.107 2.347 1.074 0.498 0.906 0.559 CB 1.676 128 residues pruned to eliminate duplicates Z: 62 53.534 2.297 1.041 0.525 0.918 0.443 CB 1.553 62 residues pruned to eliminate duplicates Z: 91 67.866 2.342 1.057 0.537 0.889 0.478 CB 1.611 91 residues pruned to eliminate duplicates Z: 14 25.354 2.266 1.317 0.421 0.923 0.462 CA 1.576 14 residues pruned to eliminate duplicates Z: 49 51.450 2.326 1.126 0.515 0.875 0.562 CB 1.691 49 residues pruned to eliminate duplicates Z: 61 49.702 2.323 0.998 0.495 0.883 0.483 CB 1.573 61 residues pruned to eliminate duplicates Z: 27 26.457 2.083 0.908 0.539 0.808 0.423 CB 1.556 27 residues pruned to eliminate duplicates Z: 109 70.241 2.315 0.996 0.510 0.889 0.528 CB 1.629 109 residues pruned to eliminate duplicates Z: 23 26.817 2.097 1.094 0.400 0.909 0.409 CA 1.591 23 residues pruned to eliminate duplicates Z: 60 55.586 2.281 1.172 0.539 0.898 0.508 CB 1.565 60 residues pruned to eliminate duplicates Z: 62 58.304 2.296 1.091 0.539 0.934 0.590 CB 1.602 62 residues pruned to eliminate duplicates Z: 90 65.225 2.301 1.075 0.511 0.910 0.562 CB 1.574 90 residues pruned to eliminate duplicates Z: 57 47.585 2.242 1.027 0.510 0.893 0.357 CB 1.552 57 residues pruned to eliminate duplicates Z: 17 28.136 2.295 1.270 0.499 0.875 0.562 CB 1.544 17 residues pruned to eliminate duplicates Z: 88 73.863 2.315 1.167 0.522 0.954 0.540 CB 1.618 88 residues pruned to eliminate duplicates Z: 44 49.959 2.301 1.081 0.488 0.953 0.512 CB 1.689 44 residues pruned to eliminate duplicates Z: 101 60.004 2.267 1.029 0.468 0.880 0.600 CB 1.530 101 residues pruned to eliminate duplicates Z: 63 55.233 2.295 1.129 0.497 0.935 0.565 CB 1.540 63 residues pruned to eliminate duplicates Z: 42 45.022 2.282 1.214 0.477 0.878 0.585 CB 1.621 42 residues pruned to eliminate duplicates Z: 69 48.996 2.206 0.986 0.481 0.912 0.588 CB 1.516 69 residues pruned to eliminate duplicates Z: 62 62.165 2.306 1.148 0.567 0.967 0.475 CB 1.557 62 residues pruned to eliminate duplicates Z: 62 59.922 2.302 1.049 0.548 0.967 0.590 CB 1.605 62 residues pruned to eliminate duplicates Z: 27 27.319 2.179 0.889 0.479 0.885 0.385 CB 1.504 27 residues pruned to eliminate duplicates Z: 126 81.701 2.346 1.070 0.501 0.888 0.568 CB 1.692 126 residues pruned to eliminate duplicates Z: 108 77.887 2.325 1.100 0.519 0.925 0.617 CB 1.635 108 residues pruned to eliminate duplicates Z: 118 76.296 2.312 1.022 0.515 0.915 0.607 CB 1.625 118 residues pruned to eliminate duplicates Z: 106 74.481 2.347 1.013 0.528 0.914 0.610 CB 1.637 106 residues pruned to eliminate duplicates Z: 109 76.270 2.316 1.069 0.538 0.926 0.630 CB 1.593 109 residues pruned to eliminate duplicates Z: 51 46.284 2.329 0.863 0.480 0.900 0.520 CB 1.710 51 residues pruned to eliminate duplicates Z: 32 32.150 2.247 0.894 0.504 0.806 0.645 CB 1.676 32 residues pruned to eliminate duplicates Z: 101 76.499 2.329 1.086 0.557 0.920 0.480 CB 1.619 101 residues pruned to eliminate duplicates Z: 23 35.620 2.396 1.094 0.602 0.864 0.727 CB 1.590 23 residues pruned to eliminate duplicates Z: 90 66.566 2.315 1.056 0.530 0.910 0.562 CB 1.582 90 residues pruned to eliminate duplicates Z: 24 40.518 2.397 0.984 0.643 0.957 0.696 CB 1.625 24 residues pruned to eliminate duplicates Z: 94 71.434 2.315 1.112 0.551 0.914 0.581 CB 1.577 94 residues pruned to eliminate duplicates Z: 39 47.527 2.402 1.031 0.552 0.868 0.658 CB 1.730 39 residues pruned to eliminate duplicates Z: 54 47.617 2.294 0.910 0.547 0.906 0.604 CB 1.574 54 residues pruned to eliminate duplicates Z: 24 34.955 2.348 0.967 0.624 0.913 0.783 CB 1.538 24 residues pruned to eliminate duplicates Z: 39 45.101 2.408 0.870 0.561 0.895 0.526 CB 1.712 39 residues pruned to eliminate duplicates Z: 51 44.976 2.260 1.024 0.587 0.880 0.640 CB 1.453 51 residues pruned to eliminate duplicates Z: 54 51.539 2.299 1.077 0.558 0.887 0.566 CB 1.579 54 residues pruned to eliminate duplicates Z: 59 47.841 2.248 0.965 0.525 0.897 0.552 CB 1.548 59 residues pruned to eliminate duplicates Z: 24 34.333 2.275 0.829 0.648 0.957 0.652 CB 1.567 24 residues pruned to eliminate duplicates Z: 41 54.124 2.383 1.031 0.539 0.950 0.650 CB 1.791 41 residues pruned to eliminate duplicates Z: 69 60.138 2.271 1.082 0.519 0.912 0.618 CB 1.661 69 residues pruned to eliminate duplicates Z: 28 37.710 2.390 0.903 0.557 0.926 0.667 CB 1.630 28 residues pruned to eliminate duplicates Z: 39 51.732 2.422 1.010 0.539 0.921 0.658 CB 1.802 39 residues pruned to eliminate duplicates Z: 28 38.083 2.386 0.915 0.542 0.926 0.667 CB 1.661 28 residues pruned to eliminate duplicates Z: 44 40.030 2.324 0.922 0.519 0.814 0.488 CB 1.648 44 residues pruned to eliminate duplicates Z: 56 34.371 2.238 0.654 0.456 0.855 0.455 CB 1.532 56 residues pruned to eliminate duplicates Z: 18 29.966 2.344 0.913 0.471 0.941 0.529 CB 1.773 18 residues pruned to eliminate duplicates Z: 15 29.461 2.441 1.004 0.511 0.857 0.500 CA 1.857 15 residues pruned to eliminate duplicates Z: 20 26.840 2.282 1.039 0.426 0.842 0.368 CB 1.696 20 residues pruned to eliminate duplicates Z: 42 31.490 2.254 0.823 0.393 0.805 0.537 CB 1.666 42 residues pruned to eliminate duplicates Z: 16 27.529 2.450 0.945 0.495 0.800 0.400 CA 1.875 16 residues pruned to eliminate duplicates Z: 18 26.597 2.287 1.078 0.449 0.824 0.412 CA 1.737 18 residues pruned to eliminate duplicates Z: 20 31.262 2.306 0.783 0.484 0.947 0.474 CB 1.870 20 residues pruned to eliminate duplicates Z: 16 33.959 2.463 0.977 0.524 0.933 0.533 CA 1.884 16 residues pruned to eliminate duplicates Z: 15 27.179 2.416 0.960 0.527 0.786 0.500 CA 1.902 15 residues pruned to eliminate duplicates Z: 10 23.075 2.388 1.106 0.523 0.778 0.556 CA 1.921 10 residues pruned to eliminate duplicates Z: 29 33.468 2.363 0.770 0.429 0.929 0.357 CB 1.754 29 residues pruned to eliminate duplicates Z: 15 32.529 2.438 0.930 0.552 0.929 0.500 CA 1.892 15 residues pruned to eliminate duplicates Z: 103 76.396 2.322 1.088 0.570 0.892 0.549 CB 1.634 103 residues pruned to eliminate duplicates Z: 36 30.313 2.270 0.852 0.426 0.771 0.543 CA 1.706 36 residues pruned to eliminate duplicates Z: 27 34.365 2.327 0.982 0.482 0.808 0.462 CA 1.842 27 residues pruned to eliminate duplicates Z: 12 15.355 2.146 0.907 0.315 0.818 0.364 CA 1.697 12 residues pruned to eliminate duplicates Z: 27 16.719 2.050 0.710 0.287 0.808 0.615 CB 1.472 27 residues pruned to eliminate duplicates Z: 16 11.259 2.066 0.923 0.313 0.800 0.533 CB 1.125 16 residues pruned to eliminate duplicates Z: 12 14.395 2.131 0.826 0.319 0.818 0.545 N 1.664 12 residues pruned to eliminate duplicates Z: 24 25.195 2.254 0.785 0.453 0.870 0.435 CB 1.576 24 residues pruned to eliminate duplicates Z: 22 23.060 2.269 0.840 0.375 0.810 0.476 CB 1.701 22 residues pruned to eliminate duplicates Z: 23 22.387 2.153 0.826 0.355 0.864 0.545 CB 1.644 23 residues pruned to eliminate duplicates Z: 12 13.315 2.190 0.420 0.353 0.909 0.636 CA 1.665 12 residues pruned to eliminate duplicates Z: 16 17.832 2.221 0.522 0.364 0.933 0.533 CA 1.689 16 residues pruned to eliminate duplicates Z: 12 18.921 2.221 0.702 0.429 0.909 0.545 CB 1.787 12 residues pruned to eliminate duplicates Z: 16 19.280 2.290 0.520 0.392 0.933 0.467 CB 1.718 16 residues pruned to eliminate duplicates Z: 62 41.428 2.313 0.663 0.498 0.869 0.623 CB 1.590 62 residues pruned to eliminate duplicates Z: 30 27.503 2.200 0.706 0.513 0.828 0.517 CA 1.623 30 residues pruned to eliminate duplicates Z: 21 15.657 2.110 0.708 0.363 0.750 0.350 CB 1.502 21 residues pruned to eliminate duplicates Z: 15 19.301 2.293 0.875 0.392 0.857 0.500 CB 1.568 15 residues pruned to eliminate duplicates Z: 31 26.673 2.293 0.704 0.424 0.833 0.567 CB 1.619 31 residues pruned to eliminate duplicates Z: 44 34.794 2.244 0.908 0.497 0.814 0.512 CB 1.526 44 residues pruned to eliminate duplicates Z: 18 23.777 2.227 0.845 0.404 0.882 0.471 CB 1.759 18 residues pruned to eliminate duplicates Z: 30 28.454 2.257 0.711 0.467 0.897 0.552 CA 1.578 30 residues pruned to eliminate duplicates Z: 18 17.955 2.237 0.641 0.461 0.824 0.529 CB 1.499 18 residues pruned to eliminate duplicates Z: 52 43.502 2.350 0.791 0.526 0.882 0.627 CB 1.598 52 residues pruned to eliminate duplicates Z: 30 29.619 2.286 0.737 0.500 0.828 0.552 CB 1.674 30 residues pruned to eliminate duplicates Z: 14 24.208 2.427 0.876 0.501 0.923 0.462 CA 1.595 14 residues pruned to eliminate duplicates Z: 38 31.124 2.306 0.807 0.517 0.838 0.622 CB 1.441 38 residues pruned to eliminate duplicates Z: 38 36.774 2.319 0.812 0.495 0.865 0.568 CA 1.673 38 residues pruned to eliminate duplicates Z: 53 31.292 2.275 0.664 0.442 0.846 0.596 CB 1.438 53 residues pruned to eliminate duplicates Z: 17 20.701 2.333 0.849 0.461 0.938 0.500 CA 1.331 17 residues pruned to eliminate duplicates Z: 19 25.666 2.312 0.747 0.529 0.889 0.556 CB 1.637 19 residues pruned to eliminate duplicates Z: 46 39.466 2.391 0.813 0.522 0.844 0.689 CB 1.572 46 residues pruned to eliminate duplicates Z: 49 46.388 2.350 0.956 0.513 0.896 0.500 CA 1.605 49 residues pruned to eliminate duplicates Z: 44 44.238 2.372 0.940 0.527 0.860 0.674 CB 1.658 44 residues pruned to eliminate duplicates Z: 24 37.485 2.393 0.815 0.668 0.957 0.696 CA 1.611 24 residues pruned to eliminate duplicates 6 1.993 1.668 0.149 0.225 0.800 0.600 CA 0.802 ? Z: 46 45.112 2.415 1.031 0.512 0.867 0.533 CB 1.563 46 residues pruned to eliminate duplicates Z: 48 44.973 2.295 1.030 0.512 0.851 0.574 CB 1.635 48 residues pruned to eliminate duplicates Z: 38 45.009 2.371 1.216 0.525 0.838 0.649 CB 1.640 17 residues pruned to eliminate duplicates Z: 9 9.381 1.691 1.154 0.445 0.750 0.375 CA 1.284 9 residues pruned to eliminate duplicates Z: 32 37.889 2.327 1.052 0.505 0.903 0.710 CB 1.570 22 residues pruned to eliminate duplicates Z: 12 43.238 2.457 1.219 0.829 1.000 0.909 CA 1.800 12 residues pruned to eliminate duplicates Z: 16 33.237 2.371 1.014 0.660 0.867 0.800 CB 1.787 16 residues pruned to eliminate duplicates Z: 30 41.141 2.472 1.045 0.514 0.897 0.690 CB 1.663 31 residues pruned to eliminate duplicates Z: 12 44.760 2.308 1.344 0.896 1.000 0.909 CA 1.787 12 residues pruned to eliminate duplicates Z: 41 47.441 2.393 0.917 0.526 0.925 0.700 CB 1.722 41 residues pruned to eliminate duplicates Z: 42 50.962 2.433 1.125 0.536 0.902 0.610 CB 1.647 42 residues pruned to eliminate duplicates Z: 16 27.095 2.273 1.203 0.561 0.800 0.733 CA 1.646 16 residues pruned to eliminate duplicates Z: 45 41.400 2.379 0.900 0.500 0.841 0.636 CB 1.641 45 residues pruned to eliminate duplicates Z: 44 46.007 2.358 0.884 0.545 0.930 0.651 CB 1.624 44 residues pruned to eliminate duplicates Z: 31 37.887 2.400 0.877 0.493 0.933 0.667 CB 1.656 31 residues pruned to eliminate duplicates Z: 42 52.242 2.429 1.068 0.560 0.927 0.634 CB 1.653 42 residues pruned to eliminate duplicates Z: 13 38.156 2.379 1.243 0.856 0.917 0.917 CB 1.661 13 residues pruned to eliminate duplicates Z: 30 40.936 2.421 1.166 0.529 0.897 0.690 CB 1.572 29 residues pruned to eliminate duplicates Z: 6 5.772 1.932 0.938 0.372 0.800 0.600 CA 0.989 Z: 9 12.858 1.840 1.033 0.468 0.875 0.500 O 1.435 6 residues pruned to eliminate duplicates Z: 6 4.762 1.718 0.600 0.453 0.800 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 32 38.573 2.346 1.049 0.518 0.903 0.613 CB 1.568 41 residues pruned to eliminate duplicates Z: 28 47.668 2.485 1.135 0.546 0.926 0.630 CB 1.785 29 residues pruned to eliminate duplicates Z: 7 4.370 1.487 0.745 0.393 0.833 0.500 N 0.924 7 residues pruned to eliminate duplicates Z: 68 47.546 2.306 0.848 0.453 0.910 0.567 CB 1.572 66 residues pruned to eliminate duplicates Z: 7 2.111 1.552 0.588 0.550 0.833 0.500 CB 0.399 Z: 6 7.604 1.995 0.315 0.489 1.000 0.400 CA 1.311 7 residues pruned to eliminate duplicates Z: 8 5.746 1.791 0.429 0.425 0.714 0.429 CA 1.284 7 residues pruned to eliminate duplicates Z: 14 31.516 2.056 1.146 0.744 1.000 0.692 CA 1.593 18 residues pruned to eliminate duplicates Z: 13 25.541 1.994 0.948 0.793 0.917 0.333 CA 1.601 13 residues pruned to eliminate duplicates Z: 28 31.944 2.188 0.840 0.602 0.926 0.593 CB 1.497 28 residues pruned to eliminate duplicates Z: 17 24.617 2.148 0.849 0.595 0.875 0.625 CB 1.617 17 residues pruned to eliminate duplicates Z: 30 34.316 2.240 0.816 0.631 0.931 0.483 CB 1.488 31 residues pruned to eliminate duplicates Z: 12 24.275 1.984 1.163 0.814 0.909 0.455 CB 1.427 12 residues pruned to eliminate duplicates Z: 61 34.951 2.132 0.705 0.502 0.917 0.567 CB 1.351 62 residues pruned to eliminate duplicates Z: 12 19.199 1.964 1.126 0.806 0.909 0.455 CB 1.168 12 residues pruned to eliminate duplicates Z: 57 34.817 2.204 0.798 0.441 0.893 0.518 CB 1.397 57 residues pruned to eliminate duplicates Z: 29 34.337 2.192 0.909 0.628 0.893 0.714 CB 1.539 29 residues pruned to eliminate duplicates Z: 32 36.434 2.163 0.928 0.562 0.935 0.419 CB 1.580 32 residues pruned to eliminate duplicates Z: 28 33.914 2.210 0.916 0.652 0.926 0.593 CB 1.445 28 residues pruned to eliminate duplicates Z: 30 35.063 2.254 0.870 0.630 0.931 0.621 CB 1.468 30 residues pruned to eliminate duplicates Z: 40 29.663 2.240 0.655 0.464 0.846 0.462 CB 1.571 40 residues pruned to eliminate duplicates Z: 19 20.096 2.022 1.009 0.526 0.889 0.556 CB 1.278 19 residues pruned to eliminate duplicates Z: 27 31.080 2.212 1.015 0.591 0.846 0.615 CB 1.481 27 residues pruned to eliminate duplicates Z: 31 23.426 2.213 0.749 0.479 0.767 0.467 CB 1.472 31 residues pruned to eliminate duplicates Z: 41 35.324 2.209 0.880 0.447 0.950 0.600 CB 1.495 41 residues pruned to eliminate duplicates Z: 16 23.105 2.197 1.170 0.654 0.867 0.533 CB 1.251 16 residues pruned to eliminate duplicates Z: 26 36.982 2.217 1.208 0.607 0.880 0.360 CB 1.552 26 residues pruned to eliminate duplicates Z: 25 35.824 2.231 1.196 0.630 0.875 0.500 CB 1.510 25 residues pruned to eliminate duplicates Z: 18 26.867 2.079 1.295 0.568 0.882 0.588 CB 1.449 18 residues pruned to eliminate duplicates Z: 48 30.018 2.029 0.836 0.474 0.872 0.468 CB 1.383 48 residues pruned to eliminate duplicates Z: 43 35.423 2.218 0.937 0.483 0.881 0.476 CB 1.469 43 residues pruned to eliminate duplicates Z: 41 36.232 2.233 0.996 0.498 0.850 0.350 CB 1.515 41 residues pruned to eliminate duplicates Z: 12 15.545 1.957 1.138 0.654 0.818 0.273 CB 1.186 12 residues pruned to eliminate duplicates Z: 40 30.497 2.197 0.809 0.398 0.872 0.436 CB 1.570 40 residues pruned to eliminate duplicates Z: 41 34.359 2.217 0.889 0.479 0.900 0.500 CB 1.472 41 residues pruned to eliminate duplicates Z: 31 23.342 2.182 0.810 0.465 0.833 0.367 CB 1.341 31 residues pruned to eliminate duplicates Z: 18 17.144 2.148 0.721 0.313 0.882 0.412 CB 1.569 18 residues pruned to eliminate duplicates Z: 17 16.060 2.198 0.623 0.328 0.875 0.500 CB 1.553 17 residues pruned to eliminate duplicates Z: 17 13.217 2.220 0.639 0.236 0.812 0.438 CB 1.519 17 residues pruned to eliminate duplicates Z: 37 27.497 2.131 0.883 0.420 0.889 0.389 CB 1.397 37 residues pruned to eliminate duplicates Z: 18 14.585 2.151 0.581 0.269 0.882 0.471 CB 1.532 18 residues pruned to eliminate duplicates Z: 16 17.231 2.286 0.780 0.279 0.867 0.467 CB 1.620 16 residues pruned to eliminate duplicates Z: 40 27.597 2.171 0.785 0.358 0.872 0.410 CB 1.524 39 residues pruned to eliminate duplicates Z: 6 3.983 1.721 0.385 0.279 0.800 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 19 14.544 2.101 0.572 0.286 0.889 0.556 CB 1.485 19 residues pruned to eliminate duplicates Z: 16 16.188 2.274 0.532 0.332 0.933 0.533 CB 1.545 16 residues pruned to eliminate duplicates Z: 16 13.599 2.259 0.439 0.337 0.867 0.467 CB 1.489 16 residues pruned to eliminate duplicates Z: 14 13.893 2.140 0.616 0.437 0.769 0.692 CA 1.545 14 residues pruned to eliminate duplicates Z: 17 14.514 2.121 0.575 0.327 0.812 0.500 CB 1.617 17 residues pruned to eliminate duplicates Z: 29 34.880 2.269 0.913 0.519 0.857 0.607 CB 1.739 35 residues pruned to eliminate duplicates Z: 15 16.167 2.091 0.771 0.406 0.857 0.500 CB 1.502 15 residues pruned to eliminate duplicates Z: 12 22.643 2.347 0.875 0.427 0.909 0.545 CB 1.842 12 residues pruned to eliminate duplicates Z: 16 15.360 2.122 0.641 0.362 0.867 0.600 CB 1.525 16 residues pruned to eliminate duplicates Z: 31 32.742 2.206 0.822 0.485 0.933 0.567 CB 1.617 31 residues pruned to eliminate duplicates Z: 54 60.402 2.333 1.086 0.565 0.943 0.604 CB 1.697 53 residues pruned to eliminate duplicates Z: 6 4.859 1.904 0.717 0.193 0.800 0.200 CB 1.198 6 residues pruned to eliminate duplicates Z: 12 13.611 2.085 0.762 0.367 0.909 0.364 CB 1.417 12 residues pruned to eliminate duplicates Z: 10 19.397 2.211 0.931 0.487 1.000 0.556 CB 1.534 10 residues pruned to eliminate duplicates Z: 11 15.789 2.151 0.891 0.315 1.000 0.400 CB 1.506 11 residues pruned to eliminate duplicates Z: 14 9.974 2.041 0.605 0.349 0.923 0.538 CB 1.078 14 residues pruned to eliminate duplicates Z: 19 12.371 1.992 0.773 0.363 0.833 0.556 CB 1.147 19 residues pruned to eliminate duplicates Z: 15 16.761 2.040 0.975 0.410 0.857 0.500 CB 1.425 15 residues pruned to eliminate duplicates Z: 7 10.787 1.829 0.645 0.489 1.000 0.500 N 1.480 7 residues pruned to eliminate duplicates Z: 20 16.892 2.108 0.734 0.460 0.895 0.684 CB 1.235 20 residues pruned to eliminate duplicates Z: 16 5.018 1.786 0.260 0.371 0.867 0.533 CB 0.763 16 residues pruned to eliminate duplicates Z: 13 11.208 1.991 0.651 0.417 0.917 0.500 CB 1.172 13 residues pruned to eliminate duplicates Z: 15 10.336 1.938 0.821 0.374 0.786 0.500 CB 1.140 15 residues pruned to eliminate duplicates Z: 12 12.199 2.021 0.802 0.391 0.909 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 18 14.254 1.956 0.591 0.500 0.882 0.647 CB 1.258 18 residues pruned to eliminate duplicates Z: 13 10.872 2.001 0.753 0.452 0.833 0.667 CB 1.128 13 residues pruned to eliminate duplicates Z: 20 20.429 2.145 0.826 0.479 0.789 0.474 CB 1.548 20 residues pruned to eliminate duplicates Z: 75 66.355 2.345 1.112 0.510 0.905 0.568 CB 1.702 75 residues pruned to eliminate duplicates Z: 19 25.393 2.215 0.774 0.549 0.944 0.444 CB 1.536 19 residues pruned to eliminate duplicates Z: 17 25.325 2.285 1.056 0.524 0.875 0.438 CB 1.505 17 residues pruned to eliminate duplicates Z: 20 26.848 2.185 0.938 0.547 0.895 0.421 CB 1.553 20 residues pruned to eliminate duplicates Z: 17 23.104 2.239 0.921 0.543 0.812 0.500 CB 1.585 17 residues pruned to eliminate duplicates Z: 22 17.104 2.167 0.760 0.456 0.667 0.381 CB 1.536 22 residues pruned to eliminate duplicates Z: 16 27.840 2.294 1.195 0.565 0.800 0.533 CB 1.675 16 residues pruned to eliminate duplicates Z: 21 20.529 2.119 0.826 0.513 0.800 0.350 CB 1.464 21 residues pruned to eliminate duplicates Z: 18 20.090 2.222 0.804 0.533 0.706 0.471 CB 1.668 18 residues pruned to eliminate duplicates Z: 44 52.815 2.358 1.113 0.599 0.884 0.558 CB 1.665 64 residues pruned to eliminate duplicates Z: 6 11.173 1.850 1.220 0.356 1.000 0.400 CA 1.420 6 residues pruned to eliminate duplicates Z: 112 86.323 2.403 1.050 0.533 0.946 0.622 CB 1.702 112 residues pruned to eliminate duplicates Z: 65 49.378 2.362 0.810 0.485 0.922 0.641 CB 1.589 65 residues pruned to eliminate duplicates Z: 19 21.030 2.172 0.845 0.439 0.833 0.500 CB 1.580 19 residues pruned to eliminate duplicates Z: 47 44.491 2.295 1.053 0.478 0.804 0.478 CB 1.769 47 residues pruned to eliminate duplicates Z: 64 47.907 2.366 0.817 0.474 0.873 0.619 CB 1.651 64 residues pruned to eliminate duplicates Z: 22 23.452 2.208 0.900 0.409 0.905 0.429 CB 1.484 22 residues pruned to eliminate duplicates Z: 40 47.878 2.500 0.938 0.513 0.923 0.667 CB 1.692 40 residues pruned to eliminate duplicates Z: 14 25.015 2.435 1.118 0.567 0.769 0.615 CA 1.639 14 residues pruned to eliminate duplicates Z: 47 44.251 2.414 0.865 0.512 0.913 0.609 CB 1.568 47 residues pruned to eliminate duplicates Z: 15 27.318 2.408 1.257 0.588 0.786 0.643 CB 1.572 15 residues pruned to eliminate duplicates Z: 17 29.805 2.234 1.106 0.516 0.938 0.562 CB 1.664 17 residues pruned to eliminate duplicates Z: 34 56.299 2.549 1.200 0.616 0.939 0.788 CB 1.667 34 residues pruned to eliminate duplicates Z: 13 29.024 2.389 1.195 0.620 0.833 0.667 CA 1.711 13 residues pruned to eliminate duplicates Z: 44 51.707 2.479 1.087 0.528 0.907 0.628 CB 1.634 44 residues pruned to eliminate duplicates Z: 39 46.758 2.472 1.004 0.529 0.921 0.684 CB 1.615 39 residues pruned to eliminate duplicates Z: 46 42.312 2.454 0.724 0.508 0.911 0.622 CB 1.623 46 residues pruned to eliminate duplicates Z: 46 43.191 2.438 0.791 0.512 0.889 0.622 CB 1.640 46 residues pruned to eliminate duplicates Z: 47 45.452 2.399 0.832 0.513 0.913 0.543 CB 1.649 47 residues pruned to eliminate duplicates Z: 44 44.951 2.469 0.846 0.524 0.907 0.628 CB 1.619 44 residues pruned to eliminate duplicates Z: 32 31.377 2.470 0.718 0.487 0.871 0.774 CB 1.545 32 residues pruned to eliminate duplicates Z: 47 45.103 2.385 0.914 0.509 0.913 0.761 CB 1.580 47 residues pruned to eliminate duplicates Z: 47 45.393 2.399 1.060 0.517 0.870 0.543 CB 1.531 47 residues pruned to eliminate duplicates Z: 43 43.741 2.426 0.879 0.501 0.881 0.667 CB 1.679 43 residues pruned to eliminate duplicates Z: 44 40.016 2.412 0.820 0.473 0.884 0.581 CB 1.617 44 residues pruned to eliminate duplicates Z: 45 43.904 2.427 0.963 0.509 0.886 0.523 CB 1.553 45 residues pruned to eliminate duplicates Z: 43 46.287 2.428 0.907 0.485 0.929 0.571 CB 1.686 43 residues pruned to eliminate duplicates Z: 47 45.613 2.410 0.923 0.479 0.891 0.435 CB 1.663 47 residues pruned to eliminate duplicates Z: 29 32.316 2.321 1.145 0.515 0.750 0.357 CB 1.611 29 residues pruned to eliminate duplicates Z: 44 49.355 2.432 0.990 0.496 0.907 0.651 CB 1.722 44 residues pruned to eliminate duplicates Z: 12 50.338 2.457 1.675 0.850 0.909 0.545 CB 1.881 12 residues pruned to eliminate duplicates Z: 42 48.676 2.453 0.988 0.506 0.927 0.463 CB 1.672 42 residues pruned to eliminate duplicates Z: 14 43.231 2.554 1.712 0.712 0.923 0.308 CB 1.547 14 residues pruned to eliminate duplicates Z: 33 42.920 2.459 1.091 0.474 0.938 0.531 CB 1.617 33 residues pruned to eliminate duplicates Z: 47 49.641 2.415 1.093 0.522 0.891 0.500 CB 1.590 47 residues pruned to eliminate duplicates Z: 6 6.501 2.026 1.075 0.404 0.800 0.600 CA 0.956 6 residues pruned to eliminate duplicates Z: 43 44.234 2.430 1.087 0.471 0.833 0.476 CB 1.663 43 residues pruned to eliminate duplicates Z: 42 40.952 2.461 0.779 0.491 0.878 0.537 CB 1.679 42 residues pruned to eliminate duplicates Z: 44 41.283 2.387 0.947 0.442 0.884 0.535 CB 1.627 44 residues pruned to eliminate duplicates Z: 46 43.038 2.397 0.923 0.512 0.889 0.289 CB 1.548 46 residues pruned to eliminate duplicates Z: 9 8.853 2.267 0.380 0.345 0.750 0.625 CB 1.579 9 residues pruned to eliminate duplicates Z: 44 53.394 2.465 1.096 0.538 0.930 0.628 CB 1.632 44 residues pruned to eliminate duplicates Z: 9 10.985 2.038 0.686 0.547 0.750 0.625 CB 1.440 9 residues pruned to eliminate duplicates Z: 46 51.674 2.418 1.098 0.495 0.889 0.467 CB 1.717 46 residues pruned to eliminate duplicates Z: 7 5.911 1.841 0.616 0.260 1.000 0.500 CA 1.067 7 residues pruned to eliminate duplicates Z: 16 16.778 2.210 0.791 0.386 0.933 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 6 6.460 1.853 0.485 0.479 1.000 1.000 CA 1.072 Z: 8 8.823 1.863 1.184 0.363 0.714 0.571 CB 1.329 7 residues pruned to eliminate duplicates Z: 6 3.061 1.653 0.377 0.429 0.800 0.800 N 0.809 6 residues pruned to eliminate duplicates Z: 51 28.967 2.153 0.863 0.381 0.860 0.580 CB 1.348 58 residues pruned to eliminate duplicates Z: 39 33.245 2.215 0.934 0.431 0.868 0.526 CB 1.557 39 residues pruned to eliminate duplicates Z: 39 33.580 2.211 0.841 0.476 0.895 0.526 CB 1.532 39 residues pruned to eliminate duplicates Z: 24 32.342 2.265 1.056 0.469 0.913 0.696 CB 1.637 24 residues pruned to eliminate duplicates Z: 20 33.683 2.258 1.173 0.501 0.947 0.632 CB 1.660 20 residues pruned to eliminate duplicates Z: 66 51.093 2.324 1.020 0.468 0.846 0.569 CB 1.648 66 residues pruned to eliminate duplicates Z: 25 28.727 2.200 1.172 0.410 0.875 0.542 CB 1.542 25 residues pruned to eliminate duplicates Z: 39 29.164 2.241 0.813 0.405 0.868 0.526 CB 1.482 39 residues pruned to eliminate duplicates Z: 6 6.127 1.575 0.870 0.514 0.800 0.400 CA 1.146 6 residues pruned to eliminate duplicates Z: 78 53.032 2.318 0.929 0.469 0.909 0.558 CB 1.535 78 residues pruned to eliminate duplicates Z: 26 27.572 2.190 0.879 0.488 0.840 0.560 CB 1.614 26 residues pruned to eliminate duplicates Z: 21 28.002 2.258 0.966 0.477 0.900 0.700 CB 1.604 21 residues pruned to eliminate duplicates Z: 27 26.971 2.176 0.929 0.474 0.846 0.577 CB 1.529 27 residues pruned to eliminate duplicates Z: 26 27.016 2.199 1.041 0.411 0.840 0.520 CB 1.574 26 residues pruned to eliminate duplicates Z: 24 27.175 2.247 0.779 0.501 0.913 0.652 CB 1.551 24 residues pruned to eliminate duplicates Z: 22 29.035 2.219 1.100 0.473 0.905 0.619 CB 1.545 22 residues pruned to eliminate duplicates Z: 27 28.585 2.156 0.984 0.426 0.885 0.577 CB 1.600 27 residues pruned to eliminate duplicates Z: 67 57.599 2.355 1.075 0.493 0.894 0.606 CB 1.634 67 residues pruned to eliminate duplicates Z: 25 26.442 2.199 0.875 0.491 0.875 0.500 CB 1.510 25 residues pruned to eliminate duplicates Z: 77 54.878 2.321 0.959 0.467 0.895 0.592 CB 1.600 77 residues pruned to eliminate duplicates Z: 44 30.907 2.252 0.756 0.432 0.814 0.605 CB 1.571 44 residues pruned to eliminate duplicates Z: 78 53.929 2.345 1.021 0.461 0.870 0.545 CB 1.551 78 residues pruned to eliminate duplicates Z: 118 70.014 2.304 1.003 0.453 0.880 0.530 CB 1.673 118 residues pruned to eliminate duplicates Z: 91 61.001 2.325 1.014 0.480 0.833 0.511 CB 1.681 91 residues pruned to eliminate duplicates Z: 65 57.556 2.376 1.050 0.486 0.891 0.609 CB 1.683 65 residues pruned to eliminate duplicates Z: 27 36.636 2.339 0.970 0.552 0.923 0.538 CB 1.607 27 residues pruned to eliminate duplicates Z: 88 65.422 2.333 1.088 0.501 0.874 0.540 CB 1.647 88 residues pruned to eliminate duplicates Z: 39 49.123 2.363 1.145 0.549 0.895 0.579 CB 1.675 39 residues pruned to eliminate duplicates Z: 59 48.846 2.317 1.014 0.514 0.862 0.603 CB 1.573 59 residues pruned to eliminate duplicates Z: 75 54.383 2.320 0.904 0.493 0.892 0.514 CB 1.616 75 residues pruned to eliminate duplicates Z: 38 57.450 2.419 1.121 0.571 0.946 0.676 CB 1.817 38 residues pruned to eliminate duplicates Z: 36 43.282 2.306 1.035 0.505 0.914 0.657 CB 1.696 36 residues pruned to eliminate duplicates Z: 34 37.638 2.255 0.990 0.498 0.939 0.697 CB 1.557 34 residues pruned to eliminate duplicates Z: 57 53.398 2.354 1.064 0.482 0.929 0.607 CB 1.610 57 residues pruned to eliminate duplicates Z: 40 46.814 2.389 1.040 0.532 0.897 0.615 CB 1.660 40 residues pruned to eliminate duplicates Z: 46 47.257 2.320 1.054 0.487 0.911 0.622 CB 1.645 46 residues pruned to eliminate duplicates Z: 44 39.975 2.339 0.895 0.467 0.930 0.605 CB 1.529 44 residues pruned to eliminate duplicates Z: 63 45.626 2.271 0.984 0.464 0.871 0.484 CB 1.533 63 residues pruned to eliminate duplicates Z: 23 33.743 2.331 1.114 0.385 0.909 0.455 CB 1.813 23 residues pruned to eliminate duplicates Z: 36 51.261 2.323 1.203 0.507 1.000 0.371 CB 1.681 36 residues pruned to eliminate duplicates Z: 79 54.869 2.278 1.014 0.471 0.885 0.513 CB 1.577 79 residues pruned to eliminate duplicates Z: 36 35.024 2.305 0.915 0.477 0.857 0.486 CB 1.602 36 residues pruned to eliminate duplicates Z: 36 46.905 2.356 1.110 0.513 0.886 0.600 CA 1.777 36 residues pruned to eliminate duplicates Z: 70 56.451 2.319 1.009 0.510 0.884 0.493 CB 1.634 70 residues pruned to eliminate duplicates Z: 22 29.715 2.368 1.127 0.357 0.857 0.524 CB 1.754 22 residues pruned to eliminate duplicates Z: 42 60.288 2.373 1.222 0.538 0.976 0.537 CB 1.762 42 residues pruned to eliminate duplicates Z: 24 31.717 2.309 1.197 0.368 0.870 0.739 CB 1.727 24 residues pruned to eliminate duplicates Z: 102 59.670 2.286 1.019 0.472 0.832 0.535 CB 1.591 102 residues pruned to eliminate duplicates Z: 41 47.089 2.339 1.222 0.535 0.850 0.425 CB 1.628 41 residues pruned to eliminate duplicates Z: 56 56.648 2.270 1.141 0.534 0.891 0.564 CB 1.707 56 residues pruned to eliminate duplicates Z: 37 40.567 2.321 1.189 0.467 0.806 0.583 CB 1.709 37 residues pruned to eliminate duplicates Z: 67 62.584 2.372 1.013 0.508 0.924 0.561 CB 1.731 67 residues pruned to eliminate duplicates Z: 49 50.777 2.299 1.166 0.497 0.896 0.458 CB 1.648 49 residues pruned to eliminate duplicates Z: 35 34.359 2.247 1.029 0.354 0.853 0.471 CB 1.774 35 residues pruned to eliminate duplicates Z: 86 63.390 2.305 1.000 0.487 0.894 0.471 CB 1.689 86 residues pruned to eliminate duplicates Z: 70 56.157 2.281 1.112 0.437 0.855 0.493 CB 1.752 70 residues pruned to eliminate duplicates Z: 45 41.593 2.299 0.959 0.422 0.886 0.477 CB 1.704 45 residues pruned to eliminate duplicates Z: 99 67.316 2.344 1.003 0.476 0.878 0.510 CB 1.690 99 residues pruned to eliminate duplicates Z: 32 40.621 2.326 1.149 0.465 0.903 0.548 CB 1.675 32 residues pruned to eliminate duplicates Z: 47 50.857 2.354 1.132 0.460 0.913 0.500 CB 1.704 47 residues pruned to eliminate duplicates Z: 75 60.492 2.289 1.075 0.501 0.919 0.514 CB 1.610 75 residues pruned to eliminate duplicates Z: 49 41.888 2.291 0.940 0.457 0.875 0.500 CB 1.625 49 residues pruned to eliminate duplicates Z: 63 64.466 2.390 1.138 0.528 0.935 0.484 CB 1.666 63 residues pruned to eliminate duplicates Z: 69 59.473 2.347 1.028 0.479 0.912 0.441 CB 1.698 69 residues pruned to eliminate duplicates Z: 32 27.291 2.241 0.953 0.448 0.710 0.419 CB 1.664 32 residues pruned to eliminate duplicates Z: 99 68.077 2.313 1.050 0.487 0.867 0.582 CB 1.694 99 residues pruned to eliminate duplicates Z: 53 48.834 2.260 1.105 0.447 0.885 0.423 CB 1.700 53 residues pruned to eliminate duplicates Z: 61 60.039 2.387 0.972 0.508 0.917 0.517 CB 1.782 61 residues pruned to eliminate duplicates Z: 48 50.954 2.301 0.972 0.543 0.894 0.617 CB 1.758 48 residues pruned to eliminate duplicates Z: 109 75.554 2.297 1.110 0.515 0.898 0.565 CB 1.646 109 residues pruned to eliminate duplicates Z: 50 44.899 2.311 1.138 0.428 0.837 0.449 CB 1.671 50 residues pruned to eliminate duplicates Z: 23 25.711 2.137 0.916 0.494 0.864 0.545 CA 1.560 23 residues pruned to eliminate duplicates Z: 70 62.817 2.328 1.171 0.484 0.913 0.420 CB 1.666 70 residues pruned to eliminate duplicates Z: 29 40.441 2.268 1.198 0.524 0.893 0.429 CA 1.676 29 residues pruned to eliminate duplicates Z: 49 50.531 2.307 1.133 0.471 0.875 0.458 CB 1.744 49 residues pruned to eliminate duplicates Z: 110 68.967 2.292 1.128 0.452 0.862 0.477 CB 1.650 110 residues pruned to eliminate duplicates Z: 29 33.385 2.290 0.918 0.501 0.893 0.464 CB 1.607 29 residues pruned to eliminate duplicates Z: 53 43.380 2.265 1.088 0.421 0.827 0.423 CB 1.671 53 residues pruned to eliminate duplicates Z: 33 38.012 2.228 1.096 0.505 0.906 0.531 CB 1.580 33 residues pruned to eliminate duplicates Z: 47 52.827 2.364 1.074 0.501 0.957 0.522 CB 1.659 47 residues pruned to eliminate duplicates Z: 91 80.601 2.376 1.143 0.552 0.944 0.578 CB 1.680 91 residues pruned to eliminate duplicates Z: 60 69.496 2.390 1.299 0.557 0.932 0.559 CB 1.671 60 residues pruned to eliminate duplicates Z: 50 64.233 2.340 1.161 0.615 0.939 0.673 CB 1.733 50 residues pruned to eliminate duplicates Z: 109 80.485 2.373 1.064 0.559 0.898 0.519 CB 1.662 109 residues pruned to eliminate duplicates Z: 68 63.597 2.365 1.180 0.517 0.851 0.522 CB 1.741 68 residues pruned to eliminate duplicates Z: 107 88.366 2.378 1.214 0.539 0.925 0.623 CB 1.698 107 residues pruned to eliminate duplicates Z: 23 55.099 2.430 1.241 0.665 1.000 0.818 CB 1.851 23 residues pruned to eliminate duplicates Z: 66 73.719 2.397 1.260 0.521 0.938 0.600 CB 1.762 66 residues pruned to eliminate duplicates Z: 24 47.846 2.380 1.226 0.643 0.957 0.783 CB 1.722 24 residues pruned to eliminate duplicates Z: 34 39.419 2.247 1.081 0.583 0.848 0.606 CB 1.597 34 residues pruned to eliminate duplicates Z: 35 46.056 2.257 1.059 0.621 0.941 0.529 CB 1.611 35 residues pruned to eliminate duplicates Z: 23 48.816 2.410 1.085 0.637 1.000 0.636 CB 1.823 23 residues pruned to eliminate duplicates Z: 24 47.259 2.362 1.175 0.711 0.913 0.696 CB 1.735 24 residues pruned to eliminate duplicates Z: 65 67.170 2.367 1.081 0.532 0.922 0.562 CB 1.792 65 residues pruned to eliminate duplicates Z: 23 52.782 2.424 1.187 0.672 1.000 0.682 CB 1.811 23 residues pruned to eliminate duplicates Z: 67 76.717 2.386 1.273 0.557 0.939 0.606 CB 1.753 67 residues pruned to eliminate duplicates Z: 25 38.943 2.309 1.203 0.646 0.833 0.542 CB 1.637 25 residues pruned to eliminate duplicates Z: 70 67.444 2.303 1.173 0.504 0.942 0.565 CB 1.716 86 residues pruned to eliminate duplicates Z: 30 42.073 2.375 1.108 0.561 0.862 0.586 CB 1.705 30 residues pruned to eliminate duplicates Z: 92 79.298 2.382 1.126 0.539 0.923 0.604 CB 1.712 92 residues pruned to eliminate duplicates Z: 43 41.684 2.281 1.011 0.522 0.905 0.643 CB 1.516 43 residues pruned to eliminate duplicates Z: 50 57.491 2.341 1.118 0.555 0.878 0.612 CB 1.789 50 residues pruned to eliminate duplicates Z: 89 82.228 2.391 1.123 0.563 0.909 0.568 CB 1.787 89 residues pruned to eliminate duplicates Z: 24 46.705 2.391 1.067 0.682 0.913 0.609 CB 1.826 24 residues pruned to eliminate duplicates Z: 144 84.033 2.311 1.109 0.524 0.895 0.559 CB 1.573 144 residues pruned to eliminate duplicates 798 residues left after pruning, divided into chains as follows: A: 204 B: 195 C: 11 D: 195 E: 7 F: 186 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.89 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.777, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.903, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 1.081, Connect. = 0.796 for dens.mod. cycle 3 = 0.300, Contrast = 1.111, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 1.134, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 1.141, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 1.147, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 1.147, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 1.147, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 1.144, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5218 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1034 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 45.734 2.446 0.863 0.870 1.000 0.812 CB 1.832 B: 17 42.910 2.384 0.995 0.856 0.938 0.625 CB 1.774 17 residues pruned to eliminate duplicates C: 15 57.999 2.686 1.093 0.872 1.000 0.786 CA 2.010 17 residues pruned to eliminate duplicates D: 17 40.251 2.379 0.939 0.844 0.875 0.750 CA 1.854 17 residues pruned to eliminate duplicates E: 16 46.076 2.496 1.214 0.913 0.933 0.600 CB 1.632 F: 15 48.600 2.606 0.868 0.856 0.929 0.714 CB 2.120 15 residues pruned to eliminate duplicates G: 15 65.889 2.696 1.251 0.875 1.000 0.643 CA 2.111 15 residues pruned to eliminate duplicates H: 14 34.790 2.128 1.044 0.919 0.923 0.769 CB 1.693 I: 11 40.596 2.588 1.053 0.877 0.900 0.600 CB 1.949 J: 17 50.219 2.536 1.051 0.835 0.938 0.812 CB 1.928 17 residues pruned to eliminate duplicates K: 17 50.823 2.496 1.251 0.828 1.000 0.938 CB 1.703 16 residues pruned to eliminate duplicates L: 12 28.890 2.345 0.987 0.732 0.818 0.364 CA 1.855 M: 21 17.263 2.215 0.790 0.331 0.750 0.500 CB 1.563 N: 17 43.574 2.435 1.134 0.898 0.875 0.812 CB 1.714 17 residues pruned to eliminate duplicates O: 8 26.725 2.369 1.099 0.691 0.857 0.286 CA 1.990 9 residues pruned to eliminate duplicates P: 33 29.444 2.172 0.980 0.479 0.812 0.500 CB 1.520 Q: 17 24.876 2.356 0.832 0.400 0.938 0.625 CB 1.707 21 residues pruned to eliminate duplicates R: 16 55.443 2.659 0.983 0.873 1.000 0.467 CA 1.977 16 residues pruned to eliminate duplicates S: 14 34.740 2.310 1.142 0.806 0.923 0.692 CB 1.615 12 residues pruned to eliminate duplicates T: 16 53.537 2.603 1.079 0.869 1.000 0.800 CA 1.866 16 residues pruned to eliminate duplicates U: 14 20.912 2.033 0.828 0.720 0.846 0.615 CB 1.512 14 residues pruned to eliminate duplicates V: 17 49.086 2.491 1.220 0.855 0.875 0.688 CB 1.872 16 residues pruned to eliminate duplicates W: 11 47.769 2.513 1.185 0.920 1.000 1.000 CB 1.938 14 residues pruned to eliminate duplicates X: 14 33.849 2.199 0.835 0.926 1.000 0.923 CB 1.632 14 residues pruned to eliminate duplicates Y: 12 26.883 2.360 0.910 0.738 0.909 0.455 CA 1.597 12 residues pruned to eliminate duplicates Z: 16 29.589 2.296 0.480 0.888 0.933 0.933 CB 1.736 Z: 17 47.867 2.416 1.188 0.903 1.000 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 17 51.898 2.455 1.202 0.860 0.938 0.750 CB 1.882 17 residues pruned to eliminate duplicates Z: 15 30.708 2.199 0.892 0.877 0.929 0.857 CA 1.544 15 residues pruned to eliminate duplicates Z: 15 33.427 2.362 0.825 0.878 0.929 0.786 CA 1.620 Z: 11 18.016 1.958 0.711 0.840 1.000 0.600 CB 1.269 Z: 14 38.745 2.235 1.426 0.868 1.000 0.692 CB 1.449 13 residues pruned to eliminate duplicates Z: 10 39.886 2.567 1.010 0.903 1.000 0.667 CB 1.837 Z: 11 30.101 2.526 1.073 0.741 0.800 0.300 CA 1.832 10 residues pruned to eliminate duplicates Z: 7 11.521 2.123 0.849 0.520 0.667 0.500 CA 1.762 Z: 13 25.356 2.293 0.472 0.897 1.000 0.833 CA 1.552 13 residues pruned to eliminate duplicates Z: 16 42.405 2.356 0.860 0.864 1.000 0.600 CA 1.831 16 residues pruned to eliminate duplicates Z: 14 37.731 2.391 1.144 0.641 1.000 0.462 CA 1.789 Z: 40 53.412 2.326 1.013 0.590 0.923 0.641 CB 1.817 31 residues pruned to eliminate duplicates Z: 17 50.655 2.392 1.335 0.905 1.000 0.750 CB 1.614 17 residues pruned to eliminate duplicates Z: 15 40.680 2.336 0.930 0.875 1.000 0.714 CA 1.754 Z: 16 41.277 2.325 0.859 0.880 1.000 0.867 CB 1.786 16 residues pruned to eliminate duplicates Z: 15 34.157 2.373 1.037 0.555 1.000 0.429 CA 1.789 15 residues pruned to eliminate duplicates Z: 8 18.698 2.394 1.058 0.543 0.857 0.429 CA 1.604 Z: 15 38.534 2.093 1.334 0.907 0.929 0.857 N 1.614 13 residues pruned to eliminate duplicates Z: 13 46.905 2.374 1.305 0.923 1.000 0.833 CB 1.738 14 residues pruned to eliminate duplicates Z: 16 45.827 2.537 0.959 0.813 0.933 0.667 CA 1.944 16 residues pruned to eliminate duplicates Z: 15 30.734 2.340 0.864 0.793 0.857 0.571 CA 1.699 15 residues pruned to eliminate duplicates Z: 12 39.315 2.151 1.437 0.895 1.000 0.818 CB 1.621 Z: 16 61.265 2.650 1.198 0.889 0.933 0.667 CA 2.094 16 residues pruned to eliminate duplicates Z: 12 31.159 2.434 0.599 0.886 1.000 0.818 CA 1.742 12 residues pruned to eliminate duplicates Z: 12 36.943 2.285 1.307 0.915 0.909 0.636 CB 1.642 12 residues pruned to eliminate duplicates Z: 12 47.959 2.465 1.169 0.906 1.000 0.818 CA 1.923 12 residues pruned to eliminate duplicates Z: 11 16.333 2.014 0.354 0.923 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 6 12.406 2.232 0.723 0.766 0.800 0.400 CA 1.425 Z: 61 46.431 2.325 0.932 0.435 0.867 0.550 CB 1.648 Z: 15 40.766 2.402 0.914 0.857 1.000 0.571 CA 1.747 15 residues pruned to eliminate duplicates Z: 12 30.777 2.269 1.086 0.840 0.909 0.636 CB 1.609 12 residues pruned to eliminate duplicates Z: 18 40.522 2.221 0.939 0.875 0.941 0.706 CB 1.764 15 residues pruned to eliminate duplicates Z: 12 17.668 2.384 0.591 0.652 0.818 0.273 CA 1.489 8 residues pruned to eliminate duplicates Z: 62 57.740 2.265 1.010 0.536 0.967 0.574 CB 1.621 17 residues pruned to eliminate duplicates Z: 20 33.251 2.249 1.101 0.555 0.895 0.526 CB 1.710 20 residues pruned to eliminate duplicates Z: 14 44.766 2.455 1.110 0.911 1.000 0.846 CA 1.698 15 residues pruned to eliminate duplicates Z: 18 34.830 2.232 0.893 0.836 0.882 0.647 CA 1.696 18 residues pruned to eliminate duplicates Z: 12 28.251 2.163 0.754 0.880 1.000 0.818 CB 1.627 12 residues pruned to eliminate duplicates Z: 29 30.626 2.253 1.082 0.430 0.821 0.500 CB 1.615 21 residues pruned to eliminate duplicates Z: 34 38.134 2.388 0.997 0.522 0.879 0.545 CB 1.549 17 residues pruned to eliminate duplicates Z: 13 35.289 2.383 0.800 0.921 0.917 0.917 CB 1.823 13 residues pruned to eliminate duplicates Z: 13 33.160 2.411 0.778 0.920 1.000 0.750 CA 1.572 13 residues pruned to eliminate duplicates Z: 18 42.928 2.251 1.106 0.877 1.000 0.765 CA 1.594 18 residues pruned to eliminate duplicates Z: 21 29.123 2.285 0.949 0.459 0.850 0.550 CB 1.794 21 residues pruned to eliminate duplicates Z: 17 13.474 2.039 0.705 0.346 0.688 0.438 CB 1.665 8 residues pruned to eliminate duplicates Z: 13 36.551 2.419 1.024 0.845 1.000 0.917 CA 1.603 11 residues pruned to eliminate duplicates Z: 23 21.901 2.118 0.621 0.443 0.955 0.500 CB 1.512 Z: 16 27.501 2.232 0.714 0.849 0.867 0.800 CB 1.587 16 residues pruned to eliminate duplicates Z: 14 36.048 2.315 0.911 0.884 1.000 0.846 CB 1.633 Z: 17 35.643 2.295 1.041 0.836 0.875 0.688 CA 1.628 17 residues pruned to eliminate duplicates Z: 13 44.171 2.291 1.410 0.908 0.917 0.417 CB 1.789 14 residues pruned to eliminate duplicates Z: 22 26.975 2.181 0.885 0.569 0.810 0.667 CA 1.654 22 residues pruned to eliminate duplicates Z: 16 38.529 2.364 0.891 0.822 0.933 0.733 CA 1.804 16 residues pruned to eliminate duplicates Z: 16 37.062 2.358 0.737 0.859 1.000 0.800 CB 1.719 16 residues pruned to eliminate duplicates Z: 6 6.892 1.756 0.937 0.293 0.800 0.800 CB 1.428 Z: 27 30.629 2.277 0.866 0.511 0.846 0.577 CB 1.652 23 residues pruned to eliminate duplicates Z: 14 24.118 2.051 0.529 0.888 1.000 0.769 CA 1.536 14 residues pruned to eliminate duplicates Z: 16 32.306 2.297 0.841 0.805 0.933 0.733 CB 1.620 16 residues pruned to eliminate duplicates Z: 15 24.829 2.139 0.573 0.835 1.000 0.786 CA 1.478 15 residues pruned to eliminate duplicates Z: 31 24.249 2.115 0.679 0.399 0.900 0.467 CB 1.542 Z: 28 23.731 2.270 0.904 0.377 0.778 0.444 CB 1.550 28 residues pruned to eliminate duplicates Z: 8 24.567 2.503 1.122 0.654 0.714 0.286 CA 2.120 8 residues pruned to eliminate duplicates Z: 14 28.348 2.191 0.849 0.913 1.000 1.000 CB 1.374 13 residues pruned to eliminate duplicates Z: 17 44.875 2.391 1.130 0.872 1.000 0.688 CB 1.606 17 residues pruned to eliminate duplicates Z: 16 33.505 2.271 0.887 0.886 0.933 0.667 CB 1.560 16 residues pruned to eliminate duplicates Z: 16 47.714 2.415 1.187 0.891 1.000 0.867 CA 1.677 16 residues pruned to eliminate duplicates Z: 7 10.927 2.292 1.047 0.408 0.667 0.500 CA 1.571 7 residues pruned to eliminate duplicates Z: 14 37.361 2.259 1.190 0.937 0.923 0.923 CB 1.578 14 residues pruned to eliminate duplicates Z: 18 43.506 2.231 1.127 0.863 0.941 0.706 CA 1.734 18 residues pruned to eliminate duplicates Z: 13 32.438 2.203 1.076 0.900 0.917 0.750 CB 1.596 11 residues pruned to eliminate duplicates Z: 13 30.548 2.070 1.165 0.905 0.917 0.583 CB 1.527 18 residues pruned to eliminate duplicates Z: 13 29.494 2.297 0.536 0.893 1.000 0.833 CA 1.733 13 residues pruned to eliminate duplicates Z: 13 28.904 2.106 0.837 0.900 1.000 0.917 CB 1.541 13 residues pruned to eliminate duplicates Z: 66 44.348 2.301 0.839 0.520 0.815 0.492 CB 1.563 66 residues pruned to eliminate duplicates Z: 6 8.955 1.803 0.651 0.704 1.000 0.600 CA 1.118 6 residues pruned to eliminate duplicates Z: 12 26.733 2.355 0.485 0.909 1.000 1.000 CB 1.636 12 residues pruned to eliminate duplicates Z: 14 46.966 2.204 1.404 0.919 1.000 0.923 N 1.732 13 residues pruned to eliminate duplicates Z: 11 15.647 1.924 0.516 0.684 0.900 0.700 CA 1.591 Z: 13 24.763 2.295 0.595 0.834 0.917 0.750 CA 1.597 13 residues pruned to eliminate duplicates Z: 20 19.577 2.136 0.892 0.505 0.789 0.526 CB 1.400 Z: 11 16.636 1.999 0.924 0.823 0.900 0.700 CB 1.149 10 residues pruned to eliminate duplicates Z: 17 47.990 2.464 1.213 0.823 0.875 0.562 CA 1.900 17 residues pruned to eliminate duplicates Z: 28 27.923 2.285 0.880 0.462 0.815 0.556 CA 1.596 Z: 8 22.763 2.176 1.234 0.757 0.857 0.571 CA 1.643 8 residues pruned to eliminate duplicates Z: 10 11.781 1.879 1.137 0.578 0.778 0.667 N 1.166 Z: 9 14.411 2.061 0.573 0.835 0.875 0.875 CA 1.346 9 residues pruned to eliminate duplicates Z: 26 14.143 2.248 0.460 0.324 0.760 0.360 CB 1.378 26 residues pruned to eliminate duplicates Z: 21 23.022 2.186 0.759 0.415 0.900 0.700 CB 1.625 17 residues pruned to eliminate duplicates Z: 12 26.522 2.235 1.281 0.762 0.727 0.545 CA 1.709 9 residues pruned to eliminate duplicates Z: 26 20.053 2.206 0.734 0.383 0.880 0.520 CB 1.350 Z: 17 37.104 2.211 0.910 0.857 1.000 0.812 CA 1.619 17 residues pruned to eliminate duplicates Z: 11 12.930 1.998 1.149 0.461 0.700 0.200 CB 1.415 10 residues pruned to eliminate duplicates Z: 12 31.654 2.372 1.405 0.656 0.909 0.455 CA 1.592 12 residues pruned to eliminate duplicates Z: 11 47.277 2.515 1.401 0.930 1.000 0.900 CA 1.731 12 residues pruned to eliminate duplicates Z: 14 29.436 2.214 0.983 0.827 0.923 0.769 CA 1.518 14 residues pruned to eliminate duplicates Z: 11 9.745 2.082 0.426 0.237 0.900 0.400 N 1.564 11 residues pruned to eliminate duplicates Z: 16 36.435 2.290 0.956 0.878 1.000 0.600 CB 1.524 16 residues pruned to eliminate duplicates Z: 15 26.414 2.035 0.724 0.863 1.000 0.857 CA 1.477 15 residues pruned to eliminate duplicates Z: 13 34.349 2.390 0.948 0.832 0.917 0.833 CA 1.744 13 residues pruned to eliminate duplicates Z: 11 33.667 2.633 0.524 0.935 1.000 1.000 CA 1.849 11 residues pruned to eliminate duplicates Z: 12 22.773 2.279 1.201 0.586 0.727 0.182 CA 1.733 13 residues pruned to eliminate duplicates Z: 61 54.854 2.366 0.922 0.475 0.917 0.600 CB 1.743 67 residues pruned to eliminate duplicates Z: 10 14.057 2.126 0.999 0.655 0.667 0.444 CA 1.433 10 residues pruned to eliminate duplicates Z: 17 39.958 2.327 1.164 0.858 0.938 0.562 CB 1.558 17 residues pruned to eliminate duplicates Z: 23 50.569 2.360 1.144 0.700 1.000 0.773 CB 1.775 23 residues pruned to eliminate duplicates Z: 9 5.063 2.090 0.767 0.255 0.625 0.500 CB 1.026 4 residues pruned to eliminate duplicates Z: 16 31.988 2.304 0.698 0.867 0.933 0.800 CA 1.655 16 residues pruned to eliminate duplicates Z: 11 22.638 2.315 1.213 0.687 0.800 0.300 CA 1.471 11 residues pruned to eliminate duplicates Z: 15 30.727 2.323 0.824 0.867 0.857 0.643 CA 1.655 14 residues pruned to eliminate duplicates Z: 12 26.769 2.113 0.806 0.928 0.909 0.909 CB 1.630 12 residues pruned to eliminate duplicates Z: 9 16.247 1.933 0.715 0.852 0.875 0.750 CA 1.465 9 residues pruned to eliminate duplicates Z: 25 23.816 2.166 0.701 0.471 0.875 0.542 CB 1.554 25 residues pruned to eliminate duplicates Z: 25 12.931 1.877 0.533 0.353 0.875 0.500 CB 1.230 Z: 15 26.057 2.120 0.881 0.890 0.929 0.571 CB 1.353 Z: 34 54.489 2.537 1.169 0.613 0.939 0.606 CB 1.648 33 residues pruned to eliminate duplicates Z: 27 31.902 2.078 1.246 0.502 0.885 0.500 CB 1.511 27 residues pruned to eliminate duplicates Z: 9 15.564 2.024 0.806 0.762 0.750 0.500 CB 1.591 9 residues pruned to eliminate duplicates Z: 33 34.826 2.423 1.016 0.507 0.844 0.500 CB 1.483 33 residues pruned to eliminate duplicates Z: 17 38.608 2.297 0.943 0.852 0.938 0.750 CA 1.706 17 residues pruned to eliminate duplicates Z: 11 8.185 1.861 0.374 0.411 0.700 0.400 O 1.586 11 residues pruned to eliminate duplicates Z: 12 51.253 2.443 1.524 0.896 1.000 0.636 CA 1.796 12 residues pruned to eliminate duplicates Z: 13 13.881 2.129 0.717 0.460 0.833 0.583 CB 1.371 Z: 12 20.577 1.966 0.850 0.850 1.000 0.818 CB 1.264 Z: 24 17.031 1.989 0.868 0.378 0.957 0.478 CB 1.137 10 residues pruned to eliminate duplicates Z: 13 37.681 2.354 1.147 0.850 1.000 0.750 CA 1.594 13 residues pruned to eliminate duplicates Z: 14 25.788 1.977 0.927 0.870 0.923 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 16 32.389 2.256 1.010 0.886 0.933 0.533 CB 1.426 16 residues pruned to eliminate duplicates Z: 28 22.798 2.166 0.911 0.378 0.778 0.444 CB 1.552 Z: 15 37.675 2.345 0.923 0.806 1.000 0.500 CA 1.711 15 residues pruned to eliminate duplicates Z: 14 24.919 1.991 0.791 0.907 1.000 0.846 CB 1.377 14 residues pruned to eliminate duplicates Z: 12 21.384 2.287 1.283 0.778 0.636 0.455 CA 1.518 12 residues pruned to eliminate duplicates Z: 13 46.928 2.311 1.342 0.929 1.000 0.833 CA 1.752 13 residues pruned to eliminate duplicates Z: 17 18.614 2.202 0.693 0.474 1.000 0.500 CB 1.281 6 residues pruned to eliminate duplicates Z: 58 74.662 2.430 1.203 0.536 0.965 0.491 CB 1.847 36 residues pruned to eliminate duplicates Z: 17 11.165 1.849 0.834 0.410 0.812 0.375 CB 1.113 Z: 16 41.651 2.350 1.079 0.801 0.933 0.333 CB 1.813 18 residues pruned to eliminate duplicates Z: 21 29.462 2.210 0.988 0.478 0.950 0.650 CA 1.614 24 residues pruned to eliminate duplicates Z: 18 41.082 2.242 1.275 0.884 1.000 0.765 CA 1.411 18 residues pruned to eliminate duplicates Z: 23 12.775 2.044 0.552 0.419 0.773 0.364 CB 1.210 29 residues pruned to eliminate duplicates Z: 30 30.087 2.225 0.873 0.454 0.897 0.552 CB 1.568 30 residues pruned to eliminate duplicates Z: 16 16.364 2.264 0.608 0.286 0.867 0.400 CB 1.703 16 residues pruned to eliminate duplicates Z: 27 29.809 2.273 1.040 0.370 0.885 0.423 CB 1.639 27 residues pruned to eliminate duplicates Z: 15 46.034 2.464 1.092 0.895 1.000 0.786 CA 1.711 15 residues pruned to eliminate duplicates Z: 14 26.092 2.027 0.955 0.853 1.000 0.769 CB 1.349 14 residues pruned to eliminate duplicates Z: 19 14.967 2.077 0.632 0.343 0.889 0.500 CB 1.388 19 residues pruned to eliminate duplicates Z: 108 63.376 2.246 0.962 0.468 0.897 0.486 CB 1.601 144 residues pruned to eliminate duplicates Z: 14 27.486 2.031 1.162 0.845 1.000 0.769 CB 1.290 14 residues pruned to eliminate duplicates Z: 12 31.793 2.127 1.208 0.800 1.000 0.636 CA 1.570 12 residues pruned to eliminate duplicates Z: 15 25.666 2.265 0.702 0.857 0.929 0.571 CB 1.412 15 residues pruned to eliminate duplicates Z: 12 26.511 2.144 0.857 0.918 1.000 0.909 CA 1.415 Z: 8 14.829 2.329 0.331 0.516 1.000 0.571 CB 1.779 9 residues pruned to eliminate duplicates Z: 16 35.200 2.326 0.731 0.871 1.000 0.667 CB 1.646 16 residues pruned to eliminate duplicates Z: 11 23.278 2.019 0.854 0.854 1.000 0.800 CB 1.453 12 residues pruned to eliminate duplicates Z: 28 22.341 2.087 0.518 0.514 0.926 0.556 CB 1.445 32 residues pruned to eliminate duplicates Z: 18 41.851 2.406 1.137 0.842 0.882 0.647 CA 1.668 18 residues pruned to eliminate duplicates Z: 57 70.537 2.464 1.035 0.572 0.946 0.607 CB 1.853 57 residues pruned to eliminate duplicates Z: 16 25.328 2.046 0.717 0.837 1.000 0.733 CB 1.392 16 residues pruned to eliminate duplicates Z: 41 52.667 2.352 1.018 0.611 0.900 0.725 CB 1.755 28 residues pruned to eliminate duplicates Z: 11 25.824 2.100 0.916 0.910 1.000 1.000 CA 1.438 10 residues pruned to eliminate duplicates Z: 95 53.101 2.189 0.950 0.456 0.894 0.489 CB 1.502 92 residues pruned to eliminate duplicates Z: 12 26.926 2.147 1.053 0.869 1.000 0.909 CA 1.345 12 residues pruned to eliminate duplicates Z: 28 37.714 2.294 1.004 0.532 0.926 0.556 CA 1.653 28 residues pruned to eliminate duplicates Z: 12 41.263 2.472 1.229 0.923 0.909 0.636 CA 1.746 12 residues pruned to eliminate duplicates Z: 12 20.184 2.046 0.705 0.876 1.000 1.000 CA 1.268 12 residues pruned to eliminate duplicates Z: 17 35.453 2.272 0.918 0.837 0.938 0.750 CA 1.623 17 residues pruned to eliminate duplicates Z: 8 7.921 1.883 0.071 0.692 0.857 0.714 CB 1.452 Z: 19 30.998 2.345 1.114 0.579 0.833 0.556 CB 1.639 Z: 55 49.707 2.368 1.062 0.504 0.852 0.444 CB 1.620 42 residues pruned to eliminate duplicates Z: 28 23.490 2.085 0.749 0.503 0.778 0.630 CB 1.589 31 residues pruned to eliminate duplicates Z: 14 25.476 2.244 0.785 0.888 0.923 0.538 CB 1.377 Z: 16 31.975 2.187 0.882 0.894 1.000 0.867 CB 1.439 30 residues pruned to eliminate duplicates Z: 18 16.400 2.125 0.450 0.441 0.941 0.647 CB 1.459 31 residues pruned to eliminate duplicates Z: 29 41.637 2.375 1.040 0.574 0.929 0.500 CB 1.628 35 residues pruned to eliminate duplicates Z: 27 36.442 2.302 0.793 0.511 0.962 0.385 CB 1.781 27 residues pruned to eliminate duplicates Z: 17 47.903 2.269 1.249 0.877 1.000 0.562 CA 1.704 17 residues pruned to eliminate duplicates Z: 17 21.419 2.330 0.545 0.450 0.938 0.812 CB 1.670 17 residues pruned to eliminate duplicates Z: 17 46.948 2.515 0.942 0.833 0.938 0.688 CA 1.923 17 residues pruned to eliminate duplicates Z: 13 22.946 1.936 0.904 0.880 1.000 0.917 CB 1.301 13 residues pruned to eliminate duplicates Z: 24 46.187 2.387 1.167 0.651 0.957 0.696 CB 1.690 23 residues pruned to eliminate duplicates Z: 7 15.324 2.240 0.699 0.846 0.667 0.333 CA 1.833 7 residues pruned to eliminate duplicates Z: 31 48.389 2.300 1.175 0.648 0.967 0.733 CB 1.591 31 residues pruned to eliminate duplicates Z: 15 38.214 2.318 0.813 0.910 1.000 0.714 CB 1.723 15 residues pruned to eliminate duplicates Z: 17 40.530 2.175 1.087 0.864 1.000 0.688 CA 1.636 15 residues pruned to eliminate duplicates Z: 22 20.337 2.170 0.749 0.497 0.952 0.524 CB 1.232 Z: 9 20.060 2.128 1.120 0.839 0.875 0.750 CB 1.342 9 residues pruned to eliminate duplicates Z: 14 35.269 2.334 0.907 0.882 1.000 0.692 CA 1.589 14 residues pruned to eliminate duplicates Z: 18 26.588 2.229 0.643 0.879 0.941 0.765 CA 1.357 18 residues pruned to eliminate duplicates Z: 11 51.803 2.582 1.400 0.933 1.000 0.800 CB 1.844 12 residues pruned to eliminate duplicates Z: 104 79.786 2.355 1.177 0.528 0.874 0.631 CB 1.708 112 residues pruned to eliminate duplicates Z: 38 48.036 2.365 1.050 0.577 0.865 0.622 CB 1.750 38 residues pruned to eliminate duplicates Z: 18 41.359 2.358 1.043 0.827 0.941 0.412 CB 1.667 18 residues pruned to eliminate duplicates Z: 78 56.001 2.349 0.929 0.490 0.883 0.481 CB 1.611 65 residues pruned to eliminate duplicates Z: 9 8.642 2.070 0.970 0.592 0.500 0.125 CA 1.373 9 residues pruned to eliminate duplicates Z: 12 25.106 1.960 0.849 0.865 1.000 0.818 CB 1.530 11 residues pruned to eliminate duplicates Z: 17 34.211 2.277 0.731 0.849 0.938 0.688 CA 1.717 17 residues pruned to eliminate duplicates Z: 9 26.770 2.326 1.538 0.684 0.875 0.250 CA 1.548 9 residues pruned to eliminate duplicates Z: 13 7.560 1.911 0.545 0.318 0.833 0.583 CA 1.084 13 residues pruned to eliminate duplicates Z: 63 57.004 2.283 1.041 0.552 0.903 0.516 CB 1.635 63 residues pruned to eliminate duplicates Z: 8 13.816 2.314 0.243 0.589 1.000 0.857 CB 1.668 8 residues pruned to eliminate duplicates Z: 14 22.832 1.944 0.803 0.858 0.923 0.769 CA 1.441 14 residues pruned to eliminate duplicates Z: 18 47.144 2.186 1.202 0.857 1.000 0.588 CA 1.750 18 residues pruned to eliminate duplicates Z: 12 47.117 2.410 1.263 0.890 1.000 0.636 CA 1.874 12 residues pruned to eliminate duplicates Z: 11 29.699 2.284 0.871 0.902 0.900 0.900 CB 1.741 11 residues pruned to eliminate duplicates Z: 9 14.373 2.226 0.772 0.516 0.875 0.625 CB 1.450 9 residues pruned to eliminate duplicates Z: 7 8.408 1.985 0.503 0.605 0.833 0.667 CB 1.250 Z: 10 17.812 1.995 0.719 0.568 1.000 0.556 CA 1.622 10 residues pruned to eliminate duplicates Z: 12 47.143 2.365 1.506 0.899 1.000 0.727 CB 1.714 12 residues pruned to eliminate duplicates Z: 9 11.276 2.276 0.240 0.515 0.875 0.625 CB 1.592 9 residues pruned to eliminate duplicates Z: 17 28.689 2.214 0.723 0.884 0.875 0.625 CA 1.552 17 residues pruned to eliminate duplicates Z: 16 30.723 2.345 0.598 0.833 0.933 0.867 CA 1.701 16 residues pruned to eliminate duplicates Z: 12 32.524 2.427 0.651 0.935 1.000 0.909 CA 1.705 12 residues pruned to eliminate duplicates Z: 11 43.139 2.489 1.399 0.922 0.900 0.600 CB 1.785 11 residues pruned to eliminate duplicates Z: 7 8.208 1.805 0.444 0.722 1.000 0.500 CA 1.052 7 residues pruned to eliminate duplicates Z: 55 32.519 2.171 0.690 0.470 0.889 0.519 CB 1.399 35 residues pruned to eliminate duplicates Z: 12 23.067 2.013 0.732 0.839 1.000 0.636 CB 1.489 11 residues pruned to eliminate duplicates Z: 84 52.281 2.258 0.915 0.457 0.867 0.518 CB 1.598 103 residues pruned to eliminate duplicates Z: 67 45.725 2.303 0.747 0.477 0.879 0.652 CB 1.630 62 residues pruned to eliminate duplicates Z: 109 85.674 2.345 1.103 0.559 0.935 0.481 CB 1.688 112 residues pruned to eliminate duplicates Z: 9 22.636 2.021 1.659 0.689 0.875 0.250 CA 1.432 9 residues pruned to eliminate duplicates Z: 11 44.057 2.527 1.242 0.915 1.000 1.000 CA 1.738 11 residues pruned to eliminate duplicates Z: 12 14.027 2.248 0.600 0.398 0.818 0.545 CB 1.600 12 residues pruned to eliminate duplicates Z: 18 13.429 1.770 0.948 0.379 0.941 0.529 CB 1.142 Z: 16 29.544 2.416 0.967 0.542 0.933 0.533 CA 1.651 16 residues pruned to eliminate duplicates Z: 68 43.333 2.263 0.746 0.493 0.881 0.507 CB 1.533 68 residues pruned to eliminate duplicates Z: 97 71.069 2.279 0.983 0.542 0.927 0.583 CB 1.661 91 residues pruned to eliminate duplicates Z: 87 73.027 2.341 1.090 0.529 0.907 0.535 CB 1.724 86 residues pruned to eliminate duplicates Z: 12 36.452 2.332 1.391 0.893 0.909 0.818 CA 1.556 12 residues pruned to eliminate duplicates Z: 62 56.751 2.285 1.075 0.558 0.885 0.459 CB 1.637 62 residues pruned to eliminate duplicates Z: 17 48.093 2.317 1.076 0.889 1.000 0.688 CA 1.800 17 residues pruned to eliminate duplicates Z: 9 10.354 1.894 0.625 0.369 0.875 0.625 CA 1.564 Z: 27 34.766 2.309 1.078 0.548 0.846 0.577 CB 1.602 27 residues pruned to eliminate duplicates Z: 17 35.448 2.290 1.152 0.854 0.875 0.750 CA 1.518 17 residues pruned to eliminate duplicates Z: 6 8.282 1.774 0.609 0.770 1.000 1.000 CA 1.022 Z: 6 17.425 1.927 1.185 0.672 1.000 0.800 CA 1.579 Z: 19 41.160 2.127 1.195 0.886 1.000 0.833 CA 1.499 19 residues pruned to eliminate duplicates Z: 14 38.998 2.255 1.516 0.829 1.000 0.538 CB 1.434 14 residues pruned to eliminate duplicates Z: 7 9.097 2.328 0.912 0.784 0.667 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 6 6.736 2.142 0.520 0.545 0.600 0.600 CB 1.476 6 residues pruned to eliminate duplicates Z: 40 26.779 2.195 0.696 0.398 0.872 0.538 CB 1.471 42 residues pruned to eliminate duplicates Z: 19 17.299 2.251 0.475 0.324 0.944 0.389 CB 1.578 19 residues pruned to eliminate duplicates Z: 9 14.429 2.178 0.889 0.824 0.750 0.250 CB 1.249 9 residues pruned to eliminate duplicates Z: 6 12.622 2.074 0.605 0.546 1.000 0.800 O 1.621 7 residues pruned to eliminate duplicates Z: 11 18.336 2.462 0.183 0.886 0.900 0.900 CA 1.597 11 residues pruned to eliminate duplicates Z: 19 15.527 2.008 0.627 0.500 0.833 0.611 CB 1.344 19 residues pruned to eliminate duplicates Z: 17 29.009 2.120 0.857 0.839 0.875 0.625 CA 1.573 17 residues pruned to eliminate duplicates Z: 14 22.903 2.170 0.746 0.874 0.923 0.846 CA 1.322 14 residues pruned to eliminate duplicates Z: 9 4.252 1.685 0.465 0.255 0.625 0.250 O 1.291 Z: 17 44.946 2.296 1.295 0.857 0.938 0.688 CA 1.676 17 residues pruned to eliminate duplicates Z: 98 75.553 2.368 1.010 0.522 0.928 0.598 CB 1.699 98 residues pruned to eliminate duplicates Z: 33 39.686 2.339 1.021 0.485 0.938 0.812 CB 1.607 33 residues pruned to eliminate duplicates Z: 12 40.331 2.262 1.143 0.936 1.000 1.000 CA 1.746 12 residues pruned to eliminate duplicates Z: 17 44.023 2.290 1.192 0.882 1.000 0.562 CA 1.587 17 residues pruned to eliminate duplicates Z: 14 36.940 2.220 1.299 0.873 1.000 0.615 CA 1.462 14 residues pruned to eliminate duplicates Z: 16 25.733 1.860 0.921 0.878 0.933 0.667 CA 1.446 16 residues pruned to eliminate duplicates Z: 16 37.542 2.302 0.867 0.902 1.000 0.867 CA 1.609 16 residues pruned to eliminate duplicates Z: 15 25.479 2.218 0.617 0.912 0.929 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 22 25.956 2.330 0.917 0.443 0.810 0.476 CB 1.662 22 residues pruned to eliminate duplicates Z: 39 33.467 2.181 0.896 0.475 0.921 0.579 CB 1.462 22 residues pruned to eliminate duplicates Z: 43 47.560 2.351 1.057 0.503 0.881 0.429 CB 1.718 43 residues pruned to eliminate duplicates Z: 11 23.216 2.075 0.875 0.861 1.000 0.700 CA 1.387 11 residues pruned to eliminate duplicates Z: 75 61.894 2.357 1.006 0.505 0.892 0.581 CB 1.697 75 residues pruned to eliminate duplicates Z: 21 22.717 2.250 0.753 0.416 0.800 0.450 CB 1.757 21 residues pruned to eliminate duplicates Z: 6 4.196 1.651 0.719 0.296 0.600 0.400 CA 1.384 Z: 6 17.605 2.086 0.947 0.832 1.000 0.600 CA 1.455 6 residues pruned to eliminate duplicates Z: 13 25.108 2.266 0.553 0.891 0.917 0.917 CA 1.616 13 residues pruned to eliminate duplicates Z: 72 58.603 2.307 1.034 0.482 0.873 0.535 CB 1.729 72 residues pruned to eliminate duplicates Z: 30 17.560 2.054 0.509 0.409 0.862 0.448 CB 1.343 30 residues pruned to eliminate duplicates Z: 35 31.152 2.199 0.919 0.537 0.882 0.559 CB 1.384 39 residues pruned to eliminate duplicates Z: 12 29.793 2.160 1.003 0.894 1.000 0.909 CA 1.489 12 residues pruned to eliminate duplicates Z: 26 30.615 2.162 0.895 0.480 0.920 0.560 CA 1.658 26 residues pruned to eliminate duplicates Z: 30 29.665 2.164 0.932 0.427 0.862 0.586 CB 1.650 15 residues pruned to eliminate duplicates Z: 71 45.059 2.153 0.906 0.490 0.886 0.500 CB 1.496 71 residues pruned to eliminate duplicates Z: 27 32.242 2.285 0.846 0.432 0.923 0.500 CB 1.743 27 residues pruned to eliminate duplicates Z: 19 13.828 2.139 0.640 0.332 0.889 0.500 CB 1.256 19 residues pruned to eliminate duplicates Z: 10 23.569 2.202 0.870 0.874 1.000 0.889 CB 1.389 10 residues pruned to eliminate duplicates Z: 10 18.858 2.005 1.017 0.515 1.000 0.444 CA 1.532 10 residues pruned to eliminate duplicates Z: 9 21.311 1.949 0.874 0.761 1.000 0.625 CA 1.636 9 residues pruned to eliminate duplicates Z: 22 22.464 2.178 1.027 0.413 0.857 0.476 CB 1.419 22 residues pruned to eliminate duplicates Z: 7 6.666 1.513 0.619 0.738 1.000 0.667 CA 0.897 7 residues pruned to eliminate duplicates Z: 31 21.083 1.992 0.775 0.428 0.833 0.467 CB 1.407 31 residues pruned to eliminate duplicates Z: 7 9.670 2.023 0.584 0.717 0.833 0.333 CA 1.215 7 residues pruned to eliminate duplicates Z: 27 25.451 2.125 0.915 0.447 0.885 0.615 CB 1.464 31 residues pruned to eliminate duplicates Z: 7 7.908 1.594 0.915 0.687 0.833 0.500 N 1.069 7 residues pruned to eliminate duplicates Z: 28 43.300 2.393 1.029 0.581 0.926 0.556 CB 1.715 28 residues pruned to eliminate duplicates Z: 7 5.560 1.861 1.251 0.378 0.667 0.500 CB 0.925 Z: 16 45.885 2.394 1.124 0.837 1.000 0.400 CA 1.742 16 residues pruned to eliminate duplicates Z: 8 6.065 1.948 0.631 0.341 0.714 0.286 CB 1.201 8 residues pruned to eliminate duplicates Z: 10 14.615 1.713 0.904 0.843 0.889 0.444 CB 1.252 10 residues pruned to eliminate duplicates Z: 10 21.322 2.212 1.329 0.647 0.778 0.667 CA 1.546 10 residues pruned to eliminate duplicates Z: 18 19.168 2.199 0.877 0.418 0.765 0.471 CB 1.604 18 residues pruned to eliminate duplicates Z: 10 11.022 2.062 0.679 0.648 0.889 0.778 CB 1.040 10 residues pruned to eliminate duplicates Z: 20 29.478 2.258 1.273 0.473 0.842 0.632 CB 1.609 20 residues pruned to eliminate duplicates Z: 14 33.724 2.400 0.837 0.808 0.923 0.615 CB 1.757 14 residues pruned to eliminate duplicates Z: 32 18.216 2.173 0.601 0.323 0.806 0.484 CB 1.417 32 residues pruned to eliminate duplicates Z: 57 48.963 2.355 0.930 0.494 0.875 0.643 CB 1.655 40 residues pruned to eliminate duplicates Z: 7 5.190 2.224 0.046 0.392 0.667 0.500 CB 1.531 Z: 12 20.772 2.074 0.811 0.879 1.000 0.818 CA 1.209 12 residues pruned to eliminate duplicates Z: 12 24.756 2.318 0.403 0.926 1.000 1.000 CA 1.610 12 residues pruned to eliminate duplicates Z: 11 18.295 1.940 1.059 0.859 0.900 0.800 CA 1.184 11 residues pruned to eliminate duplicates Z: 6 6.065 1.852 0.244 0.495 0.800 0.800 N 1.478 Z: 34 26.402 2.181 0.793 0.453 0.818 0.636 CB 1.507 34 residues pruned to eliminate duplicates Z: 28 24.458 2.206 0.717 0.462 0.926 0.593 CB 1.395 28 residues pruned to eliminate duplicates Z: 33 37.401 2.271 1.003 0.627 0.875 0.469 CB 1.475 33 residues pruned to eliminate duplicates Z: 50 52.786 2.355 0.942 0.549 0.918 0.571 CB 1.711 54 residues pruned to eliminate duplicates Z: 11 19.213 2.235 1.148 0.584 0.800 0.400 CA 1.459 11 residues pruned to eliminate duplicates Z: 13 37.947 2.256 1.399 0.891 0.917 0.750 CA 1.587 13 residues pruned to eliminate duplicates Z: 14 19.331 2.067 0.787 0.826 0.846 0.769 CB 1.293 14 residues pruned to eliminate duplicates Z: 11 22.673 2.156 0.868 0.868 1.000 0.600 CA 1.302 11 residues pruned to eliminate duplicates Z: 84 56.615 2.328 0.830 0.525 0.867 0.639 CB 1.641 83 residues pruned to eliminate duplicates Z: 15 35.255 2.294 0.910 0.901 1.000 0.786 CB 1.535 15 residues pruned to eliminate duplicates Z: 12 8.831 2.164 0.372 0.256 0.727 0.364 CA 1.631 11 residues pruned to eliminate duplicates Z: 33 49.955 2.408 1.062 0.580 0.906 0.531 CB 1.816 33 residues pruned to eliminate duplicates Z: 17 33.323 2.232 0.928 0.882 0.812 0.625 CA 1.723 17 residues pruned to eliminate duplicates Z: 16 32.147 2.298 1.068 0.776 0.867 0.467 CB 1.579 16 residues pruned to eliminate duplicates Z: 13 33.972 2.180 1.153 0.915 1.000 0.583 CA 1.476 13 residues pruned to eliminate duplicates Z: 25 31.124 2.284 0.853 0.541 0.917 0.625 CB 1.573 25 residues pruned to eliminate duplicates Z: 28 25.892 2.148 0.873 0.435 0.778 0.481 CB 1.703 28 residues pruned to eliminate duplicates Z: 15 23.432 2.077 0.772 0.863 0.929 0.571 CB 1.345 15 residues pruned to eliminate duplicates Z: 8 10.854 2.072 0.626 0.553 0.857 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 8 14.088 1.952 0.777 0.771 0.857 0.429 CA 1.409 8 residues pruned to eliminate duplicates Z: 94 58.819 2.183 0.851 0.560 0.892 0.548 CB 1.596 79 residues pruned to eliminate duplicates Z: 28 28.740 2.240 1.023 0.455 0.815 0.481 CB 1.569 28 residues pruned to eliminate duplicates Z: 6 10.770 2.237 0.650 0.707 0.600 0.400 O 1.801 6 residues pruned to eliminate duplicates Z: 10 15.439 1.779 0.718 0.783 0.889 0.778 CB 1.476 10 residues pruned to eliminate duplicates Z: 16 18.343 2.146 1.241 0.470 0.800 0.467 CB 1.270 16 residues pruned to eliminate duplicates Z: 24 39.925 2.100 1.139 0.695 1.000 0.609 CA 1.551 24 residues pruned to eliminate duplicates Z: 14 31.261 2.179 1.028 0.893 0.923 0.769 CB 1.526 14 residues pruned to eliminate duplicates Z: 13 16.523 2.033 0.700 0.443 0.833 0.667 CA 1.756 14 residues pruned to eliminate duplicates Z: 23 34.004 2.251 1.184 0.457 0.864 0.500 CB 1.785 28 residues pruned to eliminate duplicates Z: 11 22.928 2.116 0.886 0.834 1.000 0.500 CB 1.362 11 residues pruned to eliminate duplicates Z: 13 13.702 2.012 0.593 0.517 0.917 0.583 CB 1.324 Z: 13 38.397 2.261 1.144 0.936 1.000 0.667 CB 1.592 13 residues pruned to eliminate duplicates Z: 22 32.427 2.278 1.195 0.422 0.857 0.524 CB 1.790 19 residues pruned to eliminate duplicates Z: 6 5.438 2.119 0.251 0.566 0.800 0.600 CB 1.076 7 residues pruned to eliminate duplicates Z: 39 31.593 2.233 0.939 0.448 0.842 0.605 CB 1.484 39 residues pruned to eliminate duplicates Z: 7 8.711 1.950 0.791 0.773 0.667 0.500 CB 1.200 7 residues pruned to eliminate duplicates Z: 8 12.745 1.931 0.536 0.860 0.857 0.714 CB 1.393 8 residues pruned to eliminate duplicates Z: 16 18.110 2.418 0.453 0.399 0.867 0.467 CA 1.707 16 residues pruned to eliminate duplicates Z: 28 15.076 1.990 0.727 0.260 0.778 0.481 CB 1.428 27 residues pruned to eliminate duplicates Z: 65 57.914 2.338 1.085 0.464 0.859 0.547 CB 1.794 65 residues pruned to eliminate duplicates Z: 6 12.089 1.988 0.806 0.611 1.000 0.800 CB 1.355 6 residues pruned to eliminate duplicates Z: 7 12.155 1.744 0.932 0.632 1.000 0.500 CA 1.302 7 residues pruned to eliminate duplicates Z: 18 15.637 2.225 0.855 0.472 0.765 0.471 CB 1.236 18 residues pruned to eliminate duplicates Z: 8 19.074 2.199 1.312 0.738 0.714 0.429 CA 1.603 8 residues pruned to eliminate duplicates Z: 12 45.062 2.407 1.548 0.892 0.909 0.364 CB 1.752 12 residues pruned to eliminate duplicates Z: 17 41.823 2.373 1.143 0.910 0.938 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 25 27.636 2.166 1.149 0.502 0.833 0.500 CB 1.451 25 residues pruned to eliminate duplicates Z: 11 13.862 1.976 0.902 0.466 0.800 0.600 CB 1.508 11 residues pruned to eliminate duplicates Z: 23 37.494 2.284 0.924 0.690 0.909 0.773 CB 1.682 23 residues pruned to eliminate duplicates Z: 13 30.997 2.130 1.137 0.850 1.000 0.500 CB 1.457 13 residues pruned to eliminate duplicates Z: 86 71.878 2.385 1.046 0.524 0.906 0.565 CB 1.723 86 residues pruned to eliminate duplicates Z: 15 22.362 2.319 0.702 0.509 0.929 0.857 CB 1.617 15 residues pruned to eliminate duplicates Z: 58 34.770 2.190 1.015 0.347 0.825 0.421 CB 1.494 58 residues pruned to eliminate duplicates Z: 8 8.611 2.000 0.458 0.583 0.857 0.714 CB 1.202 Z: 10 20.795 2.228 1.008 0.492 1.000 0.556 CA 1.562 10 residues pruned to eliminate duplicates Z: 7 11.037 1.817 0.663 0.819 0.833 0.333 CB 1.357 7 residues pruned to eliminate duplicates Z: 6 7.954 1.878 0.603 0.609 1.000 0.400 CA 1.065 6 residues pruned to eliminate duplicates Z: 12 21.045 1.962 0.915 0.823 0.909 0.727 CA 1.404 12 residues pruned to eliminate duplicates Z: 89 62.867 2.254 0.960 0.499 0.920 0.636 CB 1.649 89 residues pruned to eliminate duplicates Z: 11 29.992 2.128 1.275 0.915 1.000 0.700 CA 1.384 11 residues pruned to eliminate duplicates Z: 13 34.548 2.103 1.017 0.915 1.000 0.583 CA 1.661 13 residues pruned to eliminate duplicates Z: 15 25.153 2.149 0.745 0.872 0.929 0.857 CA 1.407 15 residues pruned to eliminate duplicates Z: 16 26.819 2.294 0.765 0.825 0.867 0.800 CA 1.489 16 residues pruned to eliminate duplicates Z: 13 28.402 2.153 0.995 0.840 0.917 0.667 CB 1.554 13 residues pruned to eliminate duplicates Z: 39 33.046 2.193 0.865 0.491 0.921 0.605 CB 1.436 40 residues pruned to eliminate duplicates Z: 17 36.203 2.301 0.798 0.894 1.000 0.812 CB 1.569 17 residues pruned to eliminate duplicates Z: 9 5.752 1.857 0.233 0.520 0.625 0.625 C 1.394 9 residues pruned to eliminate duplicates Z: 8 17.794 1.931 0.674 0.887 1.000 0.429 CB 1.499 8 residues pruned to eliminate duplicates Z: 12 20.265 1.895 0.934 0.843 1.000 0.636 CB 1.241 12 residues pruned to eliminate duplicates Z: 9 7.267 1.707 0.608 0.723 0.625 0.375 N 1.224 Z: 37 26.910 2.206 0.676 0.437 0.889 0.528 CB 1.456 37 residues pruned to eliminate duplicates Z: 38 31.986 2.299 1.106 0.324 0.811 0.432 CB 1.625 38 residues pruned to eliminate duplicates Z: 6 7.989 2.002 0.132 0.801 0.800 0.600 CA 1.514 6 residues pruned to eliminate duplicates Z: 15 6.403 1.684 0.559 0.250 0.786 0.429 N 1.106 15 residues pruned to eliminate duplicates Z: 9 9.980 1.774 0.722 0.566 0.875 0.750 CB 1.239 9 residues pruned to eliminate duplicates Z: 47 38.759 2.320 0.866 0.468 0.804 0.565 CB 1.696 47 residues pruned to eliminate duplicates Z: 40 43.547 2.334 0.878 0.538 0.872 0.641 CB 1.757 40 residues pruned to eliminate duplicates Z: 6 7.490 1.876 0.596 0.448 0.800 0.400 N 1.476 6 residues pruned to eliminate duplicates Z: 30 23.052 2.132 0.894 0.328 0.793 0.414 CB 1.615 30 residues pruned to eliminate duplicates Z: 60 52.816 2.267 1.023 0.531 0.932 0.508 CB 1.559 60 residues pruned to eliminate duplicates Z: 46 28.700 2.147 0.694 0.480 0.800 0.556 CB 1.501 46 residues pruned to eliminate duplicates Z: 40 34.011 2.256 0.740 0.466 0.821 0.436 CB 1.750 40 residues pruned to eliminate duplicates Z: 17 53.503 2.412 1.217 0.859 1.000 0.750 CA 1.840 17 residues pruned to eliminate duplicates Z: 15 27.915 2.259 0.544 0.915 1.000 1.000 CA 1.512 15 residues pruned to eliminate duplicates Z: 11 29.789 2.221 0.758 0.896 1.000 0.900 CA 1.728 11 residues pruned to eliminate duplicates Z: 45 43.107 2.432 0.980 0.542 0.864 0.409 CB 1.501 45 residues pruned to eliminate duplicates Z: 6 19.697 2.131 1.080 0.680 1.000 0.800 CB 1.684 6 residues pruned to eliminate duplicates Z: 23 32.754 2.115 0.955 0.660 0.955 0.682 CB 1.526 23 residues pruned to eliminate duplicates Z: 34 45.631 2.338 1.108 0.489 0.970 0.394 CB 1.681 34 residues pruned to eliminate duplicates Z: 17 32.850 2.255 0.690 0.853 1.000 0.688 CA 1.593 17 residues pruned to eliminate duplicates Z: 62 52.190 2.409 0.939 0.438 0.902 0.508 CB 1.691 62 residues pruned to eliminate duplicates Z: 11 5.643 1.711 0.319 0.234 0.800 0.500 CB 1.347 11 residues pruned to eliminate duplicates Z: 8 18.229 2.058 1.153 0.665 1.000 1.000 CB 1.335 Z: 12 10.729 1.746 0.523 0.445 0.818 0.636 C 1.575 Z: 12 18.080 2.209 0.796 0.663 0.818 0.818 CA 1.445 12 residues pruned to eliminate duplicates Z: 15 37.134 2.271 1.128 0.891 0.929 0.643 CB 1.590 15 residues pruned to eliminate duplicates Z: 8 4.246 1.798 0.665 0.344 0.714 0.429 CB 0.890 Z: 15 31.069 2.232 0.715 0.891 0.929 0.786 CA 1.679 15 residues pruned to eliminate duplicates Z: 22 22.976 2.092 0.966 0.446 0.810 0.571 CA 1.592 22 residues pruned to eliminate duplicates Z: 19 27.965 2.258 1.016 0.592 0.833 0.611 CA 1.590 19 residues pruned to eliminate duplicates Z: 15 31.080 2.402 0.955 0.511 0.929 0.500 CA 1.885 15 residues pruned to eliminate duplicates Z: 9 18.288 2.273 0.337 0.904 1.000 1.000 CB 1.516 9 residues pruned to eliminate duplicates Z: 71 65.490 2.371 1.135 0.514 0.871 0.514 CB 1.749 71 residues pruned to eliminate duplicates Z: 11 42.532 2.560 1.159 0.922 1.000 0.800 CB 1.711 11 residues pruned to eliminate duplicates Z: 11 3.765 1.514 0.712 0.223 0.600 0.300 N 1.058 11 residues pruned to eliminate duplicates Z: 7 11.862 2.009 0.740 0.726 0.833 0.333 CB 1.356 7 residues pruned to eliminate duplicates Z: 12 18.970 2.182 1.107 0.618 0.727 0.273 CA 1.531 12 residues pruned to eliminate duplicates Z: 40 34.387 2.174 1.016 0.427 0.872 0.462 CB 1.555 40 residues pruned to eliminate duplicates Z: 17 39.919 2.264 1.047 0.829 1.000 0.750 CA 1.620 17 residues pruned to eliminate duplicates Z: 11 25.826 2.089 1.240 0.920 1.000 0.900 CB 1.229 11 residues pruned to eliminate duplicates Z: 22 17.444 2.019 0.759 0.362 0.857 0.524 CB 1.451 22 residues pruned to eliminate duplicates Z: 72 56.837 2.188 1.159 0.512 0.930 0.493 CB 1.517 72 residues pruned to eliminate duplicates Z: 7 6.222 2.419 -0.119 0.538 0.667 0.500 CB 1.721 7 residues pruned to eliminate duplicates Z: 24 32.554 2.207 1.045 0.512 0.913 0.609 CA 1.628 24 residues pruned to eliminate duplicates Z: 9 8.340 2.277 0.613 0.489 0.875 0.500 CB 0.928 9 residues pruned to eliminate duplicates Z: 45 22.397 2.113 0.588 0.417 0.795 0.364 CB 1.380 45 residues pruned to eliminate duplicates Z: 10 12.313 2.110 0.418 0.593 0.889 0.556 CB 1.411 10 residues pruned to eliminate duplicates Z: 37 31.261 2.257 0.919 0.475 0.889 0.528 CB 1.389 37 residues pruned to eliminate duplicates Z: 23 13.986 1.869 0.542 0.482 0.909 0.409 CB 1.159 23 residues pruned to eliminate duplicates Z: 15 51.815 2.650 0.864 0.849 1.000 0.786 CA 2.077 15 residues pruned to eliminate duplicates Z: 12 19.269 1.905 0.911 0.784 0.909 0.636 CB 1.367 12 residues pruned to eliminate duplicates Z: 11 10.929 1.773 1.072 0.384 0.800 0.400 CA 1.330 11 residues pruned to eliminate duplicates Z: 11 9.948 1.988 0.890 0.464 0.800 0.500 CB 1.086 11 residues pruned to eliminate duplicates Z: 6 5.829 2.235 0.067 0.296 0.800 0.600 CA 1.717 6 residues pruned to eliminate duplicates Z: 10 5.011 1.679 0.949 0.235 0.556 0.444 N 1.249 Z: 14 18.517 2.107 0.651 0.616 0.923 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 16 22.270 2.143 0.438 0.880 0.933 0.733 CA 1.449 16 residues pruned to eliminate duplicates Z: 9 4.904 1.775 0.153 0.495 0.750 0.625 CB 1.136 9 residues pruned to eliminate duplicates Z: 13 19.966 2.300 1.063 0.524 0.750 0.250 CB 1.581 13 residues pruned to eliminate duplicates Z: 12 15.855 2.218 0.797 0.348 0.909 0.636 CB 1.557 12 residues pruned to eliminate duplicates Z: 47 58.477 2.432 1.056 0.536 0.935 0.674 CB 1.781 47 residues pruned to eliminate duplicates Z: 38 18.330 2.023 0.874 0.391 0.703 0.351 CB 1.269 38 residues pruned to eliminate duplicates Z: 11 6.126 1.883 0.043 0.506 0.800 0.500 CB 1.225 Z: 24 11.680 1.947 0.448 0.296 0.913 0.478 CB 1.189 24 residues pruned to eliminate duplicates Z: 26 38.150 2.332 0.907 0.486 0.960 0.480 CB 1.812 26 residues pruned to eliminate duplicates Z: 9 11.906 1.910 0.689 0.299 1.000 0.500 N 1.633 15 residues pruned to eliminate duplicates Z: 13 14.736 1.857 1.026 0.405 0.917 0.583 CB 1.363 13 residues pruned to eliminate duplicates Z: 7 4.208 1.720 0.842 0.751 0.667 0.333 CB 0.650 7 residues pruned to eliminate duplicates Z: 7 14.420 2.063 0.769 0.488 1.000 0.500 CB 1.633 Z: 6 6.322 1.660 0.525 0.486 1.000 0.600 CB 1.133 Z: 63 57.369 2.378 1.123 0.510 0.823 0.500 CB 1.738 63 residues pruned to eliminate duplicates Z: 28 25.202 2.093 0.858 0.451 0.815 0.519 CA 1.610 28 residues pruned to eliminate duplicates Z: 119 61.060 2.176 0.872 0.485 0.898 0.466 CB 1.560 119 residues pruned to eliminate duplicates Z: 24 29.808 2.210 0.877 0.599 0.870 0.348 CB 1.569 24 residues pruned to eliminate duplicates Z: 11 35.360 2.262 1.270 0.929 1.000 0.600 CB 1.524 11 residues pruned to eliminate duplicates Z: 11 5.183 1.981 0.749 0.197 0.600 0.200 CB 1.130 11 residues pruned to eliminate duplicates Z: 28 33.585 2.118 0.783 0.616 0.926 0.630 CA 1.657 29 residues pruned to eliminate duplicates Z: 12 12.553 1.790 0.945 0.451 0.818 0.636 N 1.397 12 residues pruned to eliminate duplicates Z: 16 18.215 2.228 0.410 0.503 0.867 0.733 CB 1.722 15 residues pruned to eliminate duplicates Z: 9 15.751 1.739 1.031 0.852 0.875 0.375 N 1.332 9 residues pruned to eliminate duplicates Z: 22 21.786 2.042 0.932 0.478 0.810 0.429 CB 1.523 22 residues pruned to eliminate duplicates Z: 6 18.779 2.272 1.173 0.755 0.800 0.000 CB 1.695 6 residues pruned to eliminate duplicates Z: 18 35.931 2.297 1.087 0.563 0.882 0.588 CB 1.939 18 residues pruned to eliminate duplicates Z: 16 16.853 2.116 0.667 0.457 0.800 0.600 CB 1.611 16 residues pruned to eliminate duplicates Z: 6 2.648 1.919 0.043 0.362 0.600 0.400 CB 1.144 Z: 26 21.523 2.105 0.515 0.447 0.880 0.480 CB 1.619 26 residues pruned to eliminate duplicates Z: 14 41.581 2.432 0.931 0.888 1.000 0.846 CB 1.769 14 residues pruned to eliminate duplicates Z: 12 31.179 2.297 0.662 0.923 1.000 0.909 CB 1.730 12 residues pruned to eliminate duplicates Z: 54 50.026 2.357 1.001 0.490 0.849 0.528 CB 1.733 54 residues pruned to eliminate duplicates Z: 92 72.885 2.223 1.023 0.589 0.945 0.637 CB 1.650 92 residues pruned to eliminate duplicates Z: 29 18.109 2.126 0.712 0.368 0.714 0.500 CB 1.517 29 residues pruned to eliminate duplicates Z: 6 2.011 1.867 -0.084 0.377 0.800 0.400 CB 0.749 Z: 13 14.807 2.106 0.944 0.346 0.833 0.500 CB 1.482 13 residues pruned to eliminate duplicates Z: 9 3.184 1.883 0.385 0.238 0.875 0.500 CB 0.668 Z: 8 4.546 1.800 0.052 0.472 0.714 0.571 CB 1.307 Z: 38 43.425 2.398 0.920 0.538 0.946 0.676 CB 1.580 26 residues pruned to eliminate duplicates Z: 32 27.908 2.154 0.892 0.492 0.839 0.516 CB 1.478 32 residues pruned to eliminate duplicates Z: 7 2.162 1.888 0.276 0.188 0.500 0.333 CA 1.066 Z: 29 21.116 2.202 0.602 0.470 0.750 0.536 CB 1.556 29 residues pruned to eliminate duplicates Z: 11 7.722 2.039 0.856 0.506 0.700 0.500 CB 0.916 Z: 16 9.863 2.009 0.703 0.386 0.800 0.533 CB 1.050 16 residues pruned to eliminate duplicates Z: 25 38.754 2.298 1.204 0.608 0.917 0.667 CB 1.538 25 residues pruned to eliminate duplicates Z: 7 10.550 1.926 0.444 0.895 1.000 0.667 CB 1.110 7 residues pruned to eliminate duplicates Z: 20 26.082 2.079 0.985 0.541 0.947 0.579 CB 1.471 20 residues pruned to eliminate duplicates Z: 50 26.346 2.012 0.659 0.469 0.837 0.490 CB 1.391 50 residues pruned to eliminate duplicates Z: 26 32.738 2.123 0.768 0.596 0.960 0.640 CA 1.658 26 residues pruned to eliminate duplicates Z: 8 13.126 1.978 0.598 0.493 1.000 0.571 CB 1.581 Z: 9 5.951 1.835 0.335 0.300 0.750 0.375 N 1.432 Z: 12 7.478 2.009 0.634 0.342 0.727 0.364 CB 1.121 Z: 16 13.958 2.168 0.725 0.404 0.800 0.467 CB 1.332 16 residues pruned to eliminate duplicates Z: 7 10.574 2.044 0.652 0.763 0.833 0.667 N 1.215 6 residues pruned to eliminate duplicates Z: 8 17.066 1.946 0.795 0.806 1.000 0.429 CA 1.414 8 residues pruned to eliminate duplicates Z: 16 47.311 2.369 1.073 0.892 1.000 0.733 CB 1.787 24 residues pruned to eliminate duplicates Z: 32 31.164 2.148 0.878 0.533 0.839 0.387 CB 1.601 32 residues pruned to eliminate duplicates Z: 117 69.627 2.297 0.961 0.493 0.871 0.534 CB 1.659 117 residues pruned to eliminate duplicates Z: 14 12.257 2.155 0.722 0.313 0.692 0.308 CB 1.627 25 residues pruned to eliminate duplicates Z: 24 15.027 2.282 0.536 0.246 0.826 0.435 CB 1.450 24 residues pruned to eliminate duplicates Z: 19 15.085 2.128 0.834 0.447 0.722 0.444 CB 1.331 19 residues pruned to eliminate duplicates Z: 11 20.770 2.057 0.959 0.840 1.000 0.800 CB 1.216 11 residues pruned to eliminate duplicates Z: 121 65.460 2.244 0.933 0.501 0.892 0.583 CB 1.543 129 residues pruned to eliminate duplicates Z: 6 6.246 2.081 -0.127 0.840 1.000 0.800 CB 1.148 Z: 11 11.013 1.729 0.855 0.541 0.800 0.700 N 1.304 7 residues pruned to eliminate duplicates Z: 9 17.005 1.675 0.803 0.870 1.000 0.500 CA 1.453 9 residues pruned to eliminate duplicates Z: 83 59.352 2.272 1.066 0.517 0.890 0.500 CB 1.542 81 residues pruned to eliminate duplicates Z: 7 9.718 1.830 0.662 0.472 0.833 0.333 CA 1.610 7 residues pruned to eliminate duplicates Z: 12 27.218 2.066 1.310 0.810 0.909 0.545 CA 1.444 12 residues pruned to eliminate duplicates Z: 17 51.699 2.489 1.093 0.867 0.938 0.625 CA 1.935 17 residues pruned to eliminate duplicates Z: 6 8.250 2.204 0.560 0.824 0.600 0.600 CA 1.351 6 residues pruned to eliminate duplicates Z: 64 60.659 2.338 1.065 0.514 0.905 0.413 CB 1.726 64 residues pruned to eliminate duplicates Z: 9 7.109 1.587 0.705 0.493 0.750 0.750 CA 1.247 9 residues pruned to eliminate duplicates Z: 9 15.427 2.101 0.521 0.851 0.750 0.500 CB 1.684 9 residues pruned to eliminate duplicates Z: 6 6.927 1.810 1.198 0.484 0.800 0.800 CB 0.989 Z: 15 35.949 2.289 0.891 0.883 1.000 0.857 CA 1.606 15 residues pruned to eliminate duplicates Z: 15 14.562 2.080 0.528 0.406 0.857 0.500 CB 1.576 15 residues pruned to eliminate duplicates Z: 60 44.703 2.221 0.913 0.498 0.898 0.508 CB 1.528 60 residues pruned to eliminate duplicates Z: 15 39.021 2.377 1.364 0.933 0.929 0.429 CB 1.394 15 residues pruned to eliminate duplicates Z: 83 65.335 2.361 0.972 0.518 0.915 0.524 CB 1.665 83 residues pruned to eliminate duplicates Z: 7 21.273 2.208 1.033 0.650 1.000 0.500 CA 1.682 7 residues pruned to eliminate duplicates Z: 7 6.158 1.641 0.205 0.768 0.833 0.833 N 1.203 7 residues pruned to eliminate duplicates Z: 7 4.579 1.962 -0.167 0.644 0.833 0.500 CB 1.200 7 residues pruned to eliminate duplicates Z: 81 51.073 2.324 0.964 0.446 0.825 0.488 CB 1.604 81 residues pruned to eliminate duplicates Z: 17 17.652 1.850 0.929 0.623 0.938 0.625 CB 1.175 6 residues pruned to eliminate duplicates Z: 19 18.904 2.186 0.564 0.470 0.833 0.722 CB 1.613 19 residues pruned to eliminate duplicates Z: 16 43.388 2.348 0.970 0.884 1.000 0.867 CB 1.750 16 residues pruned to eliminate duplicates Z: 16 46.477 2.385 1.006 0.887 1.000 0.733 CB 1.809 16 residues pruned to eliminate duplicates Z: 6 3.449 1.870 0.809 0.522 0.600 0.600 CB 0.744 6 residues pruned to eliminate duplicates Z: 32 35.118 2.299 0.805 0.586 0.968 0.645 CB 1.446 32 residues pruned to eliminate duplicates Z: 10 7.485 1.966 0.409 0.446 0.778 0.444 CB 1.224 10 residues pruned to eliminate duplicates Z: 11 49.787 2.480 1.406 0.909 1.000 0.800 CB 1.873 11 residues pruned to eliminate duplicates Z: 36 29.154 2.150 0.756 0.453 0.857 0.486 CB 1.597 36 residues pruned to eliminate duplicates Z: 16 37.690 2.258 0.783 0.866 1.000 0.800 CB 1.769 16 residues pruned to eliminate duplicates Z: 9 15.427 1.896 0.637 0.891 0.875 0.625 CB 1.444 9 residues pruned to eliminate duplicates Z: 27 21.198 2.127 0.643 0.394 0.808 0.385 CB 1.647 27 residues pruned to eliminate duplicates Z: 25 16.882 2.036 0.689 0.318 0.750 0.333 CA 1.633 25 residues pruned to eliminate duplicates Z: 11 31.076 2.117 1.375 0.890 1.000 0.700 CB 1.406 11 residues pruned to eliminate duplicates Z: 10 6.582 1.788 0.208 0.428 0.889 0.444 CB 1.231 Z: 6 4.199 1.949 0.875 0.431 0.800 0.600 CB 0.690 Z: 26 25.696 2.219 0.877 0.424 0.880 0.520 CB 1.517 26 residues pruned to eliminate duplicates Z: 16 42.540 2.371 0.935 0.888 1.000 0.867 CA 1.725 16 residues pruned to eliminate duplicates Z: 123 73.544 2.332 0.923 0.510 0.869 0.557 CB 1.692 123 residues pruned to eliminate duplicates Z: 8 6.986 1.900 1.215 0.508 0.571 0.571 CB 1.089 Z: 21 20.808 2.240 0.598 0.449 0.900 0.650 CB 1.523 21 residues pruned to eliminate duplicates Z: 24 28.965 2.095 1.061 0.623 0.870 0.565 CB 1.432 24 residues pruned to eliminate duplicates Z: 16 45.922 2.452 1.164 0.868 0.933 0.800 CA 1.750 16 residues pruned to eliminate duplicates Z: 7 6.049 1.782 0.648 0.329 1.000 0.833 CB 1.014 Z: 16 8.172 1.834 0.546 0.335 0.800 0.400 CB 1.114 16 residues pruned to eliminate duplicates Z: 6 4.375 1.502 0.528 0.604 0.800 0.600 N 0.965 Z: 23 17.881 1.965 0.796 0.469 0.864 0.545 CB 1.291 23 residues pruned to eliminate duplicates Z: 14 21.043 2.270 0.648 0.398 1.000 0.615 CB 1.737 14 residues pruned to eliminate duplicates Z: 23 15.253 2.133 0.705 0.332 0.818 0.455 CB 1.314 23 residues pruned to eliminate duplicates Z: 28 25.832 2.080 0.956 0.512 0.889 0.556 CB 1.358 28 residues pruned to eliminate duplicates Z: 19 17.554 2.100 0.769 0.507 0.889 0.611 CB 1.244 20 residues pruned to eliminate duplicates Z: 61 41.443 2.197 0.914 0.452 0.850 0.467 CB 1.572 94 residues pruned to eliminate duplicates Z: 19 18.302 2.144 0.496 0.396 0.944 0.778 CB 1.589 19 residues pruned to eliminate duplicates Z: 6 9.504 1.841 0.926 0.657 0.800 0.600 CB 1.295 Z: 24 17.062 1.927 0.878 0.376 0.870 0.391 CB 1.291 24 residues pruned to eliminate duplicates Z: 12 28.815 2.250 1.178 0.880 0.909 0.818 CB 1.414 12 residues pruned to eliminate duplicates Z: 29 16.610 2.023 0.487 0.391 0.786 0.429 CB 1.491 29 residues pruned to eliminate duplicates Z: 21 11.144 1.988 0.664 0.348 0.750 0.500 CB 1.185 21 residues pruned to eliminate duplicates Z: 8 2.072 1.688 0.077 0.251 0.571 0.286 CB 1.004 6 residues pruned to eliminate duplicates Z: 62 58.135 2.305 1.062 0.551 0.951 0.541 CB 1.567 62 residues pruned to eliminate duplicates Z: 11 18.406 1.895 1.010 0.809 1.000 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 17 36.844 2.216 0.920 0.854 1.000 0.750 CA 1.599 17 residues pruned to eliminate duplicates Z: 6 3.838 1.825 0.304 0.468 0.800 0.400 CB 0.931 6 residues pruned to eliminate duplicates Z: 15 42.348 2.413 1.207 0.933 1.000 0.929 CB 1.483 15 residues pruned to eliminate duplicates Z: 10 21.353 2.263 0.905 0.568 1.000 0.778 CB 1.545 10 residues pruned to eliminate duplicates Z: 27 23.914 2.098 0.797 0.481 0.923 0.615 CB 1.373 27 residues pruned to eliminate duplicates Z: 11 14.132 1.927 0.568 0.464 0.900 0.500 CA 1.705 11 residues pruned to eliminate duplicates Z: 7 3.991 1.724 0.110 0.363 1.000 0.500 CB 0.986 Z: 20 24.227 2.114 0.639 0.553 0.895 0.579 CA 1.702 20 residues pruned to eliminate duplicates Z: 22 26.737 2.030 1.042 0.611 0.905 0.571 CB 1.401 22 residues pruned to eliminate duplicates Z: 14 40.350 2.202 1.053 0.940 1.000 0.846 CA 1.719 14 residues pruned to eliminate duplicates Z: 71 43.220 2.144 0.786 0.435 0.900 0.586 CB 1.603 71 residues pruned to eliminate duplicates Z: 6 11.350 2.080 0.544 0.837 1.000 0.800 CA 1.182 6 residues pruned to eliminate duplicates Z: 62 41.429 2.151 0.962 0.460 0.836 0.557 CB 1.565 62 residues pruned to eliminate duplicates Z: 12 21.389 1.989 0.790 0.857 1.000 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 26 21.739 2.233 0.951 0.347 0.760 0.440 CB 1.550 26 residues pruned to eliminate duplicates Z: 20 13.788 2.193 0.626 0.387 0.789 0.526 CB 1.266 20 residues pruned to eliminate duplicates Z: 6 6.632 1.720 0.721 0.490 1.000 0.800 CB 1.012 Z: 109 65.451 2.259 0.955 0.511 0.889 0.528 CB 1.587 109 residues pruned to eliminate duplicates Z: 6 28.332 2.704 1.171 0.786 0.800 0.600 CA 2.097 6 residues pruned to eliminate duplicates Z: 55 38.574 2.297 0.936 0.429 0.815 0.500 CB 1.560 55 residues pruned to eliminate duplicates Z: 44 38.638 2.303 0.758 0.548 0.860 0.698 CB 1.615 44 residues pruned to eliminate duplicates Z: 11 3.672 1.558 0.824 0.298 0.800 0.600 CB 0.640 11 residues pruned to eliminate duplicates Z: 23 45.540 2.409 1.001 0.724 0.955 0.818 CB 1.724 23 residues pruned to eliminate duplicates Z: 7 2.219 1.508 0.303 0.602 0.667 0.333 CB 0.628 Z: 18 22.887 2.252 0.778 0.497 0.882 0.588 CB 1.575 18 residues pruned to eliminate duplicates Z: 45 47.455 2.435 1.048 0.511 0.864 0.432 CB 1.643 44 residues pruned to eliminate duplicates 6 1.908 1.950 0.234 0.483 1.000 0.400 CB 0.361 ? Z: 66 69.809 2.383 1.031 0.557 0.954 0.569 CB 1.774 66 residues pruned to eliminate duplicates Z: 7 13.962 2.364 0.748 0.561 0.833 0.500 CB 1.561 7 residues pruned to eliminate duplicates Z: 15 18.583 2.031 0.627 0.602 0.929 0.357 CB 1.468 15 residues pruned to eliminate duplicates Z: 52 76.409 2.489 1.250 0.553 0.961 0.549 CB 1.889 52 residues pruned to eliminate duplicates Z: 93 53.818 2.280 0.755 0.472 0.859 0.435 CB 1.679 93 residues pruned to eliminate duplicates Z: 28 27.321 2.199 1.021 0.381 0.889 0.444 CB 1.510 28 residues pruned to eliminate duplicates Z: 14 7.371 1.685 -0.003 0.558 1.000 0.538 CB 1.150 12 residues pruned to eliminate duplicates Z: 8 13.721 1.853 0.546 0.871 0.857 0.571 CA 1.540 8 residues pruned to eliminate duplicates Z: 8 15.161 1.948 0.523 0.872 1.000 0.429 CA 1.408 8 residues pruned to eliminate duplicates Z: 22 25.877 2.139 0.799 0.543 0.905 0.667 CB 1.556 22 residues pruned to eliminate duplicates Z: 21 16.199 2.049 0.507 0.555 0.850 0.650 CB 1.308 21 residues pruned to eliminate duplicates Z: 22 10.841 2.128 0.358 0.370 0.810 0.476 CB 1.163 22 residues pruned to eliminate duplicates Z: 9 5.884 1.900 0.126 0.521 0.875 0.750 CB 1.088 9 residues pruned to eliminate duplicates Z: 12 15.588 1.843 0.749 0.520 0.909 0.636 CA 1.573 12 residues pruned to eliminate duplicates Z: 10 21.513 2.214 0.793 0.725 0.889 0.667 CA 1.659 10 residues pruned to eliminate duplicates Z: 6 15.712 1.926 0.816 0.754 1.000 0.800 CA 1.603 6 residues pruned to eliminate duplicates Z: 26 24.496 2.291 0.897 0.387 0.800 0.400 CB 1.589 27 residues pruned to eliminate duplicates Z: 18 11.611 2.081 0.405 0.339 0.882 0.529 CB 1.301 18 residues pruned to eliminate duplicates Z: 6 9.941 2.006 0.157 0.883 1.000 1.000 CA 1.385 6 residues pruned to eliminate duplicates Z: 6 2.360 1.735 0.504 0.276 0.400 0.400 CA 1.303 Z: 52 58.086 2.344 1.054 0.550 0.961 0.588 CB 1.675 52 residues pruned to eliminate duplicates Z: 18 32.228 2.102 1.103 0.847 0.882 0.824 CA 1.488 18 residues pruned to eliminate duplicates Z: 15 27.979 2.279 1.002 0.541 0.929 0.500 CA 1.696 15 residues pruned to eliminate duplicates Z: 9 11.008 1.625 0.488 0.843 1.000 0.500 CA 1.198 9 residues pruned to eliminate duplicates Z: 6 7.897 1.586 0.295 0.843 1.000 1.000 CA 1.281 6 residues pruned to eliminate duplicates Z: 8 17.842 1.836 1.215 0.871 1.000 0.429 CB 1.210 8 residues pruned to eliminate duplicates Z: 41 35.566 2.256 0.895 0.489 0.850 0.600 CB 1.565 41 residues pruned to eliminate duplicates 6 1.894 1.784 0.830 0.440 0.600 0.400 CB 0.460 ? Z: 18 17.901 2.171 0.692 0.547 0.941 0.588 CB 1.200 18 residues pruned to eliminate duplicates Z: 14 24.883 2.058 0.936 0.868 0.923 0.769 CB 1.372 14 residues pruned to eliminate duplicates Z: 12 9.788 2.041 0.576 0.311 0.727 0.364 CA 1.555 12 residues pruned to eliminate duplicates Z: 6 4.284 1.780 0.235 0.660 0.800 0.400 CB 0.940 Z: 20 11.406 1.895 0.442 0.479 0.789 0.421 CB 1.239 20 residues pruned to eliminate duplicates Z: 15 11.725 1.965 0.791 0.518 0.857 0.429 CB 1.020 Z: 12 13.140 2.017 0.731 0.410 0.818 0.636 CB 1.525 12 residues pruned to eliminate duplicates Z: 8 2.636 1.356 0.489 0.248 0.714 0.429 N 0.923 Z: 40 46.359 2.340 1.015 0.479 0.923 0.641 CB 1.741 40 residues pruned to eliminate duplicates Z: 8 6.528 1.911 0.004 0.605 0.857 0.714 N 1.359 6 residues pruned to eliminate duplicates Z: 14 32.024 2.332 0.868 0.806 0.923 0.769 CB 1.691 14 residues pruned to eliminate duplicates Z: 6 4.657 1.816 0.924 0.668 0.800 0.400 CB 0.638 6 residues pruned to eliminate duplicates Z: 11 16.659 1.901 0.851 0.903 0.900 0.800 CB 1.185 20 residues pruned to eliminate duplicates Z: 60 45.021 2.261 0.906 0.482 0.864 0.492 CB 1.603 60 residues pruned to eliminate duplicates Z: 11 5.378 1.887 0.132 0.387 0.700 0.500 N 1.281 20 residues pruned to eliminate duplicates Z: 8 10.124 1.679 0.896 0.537 1.000 0.571 CB 1.159 Z: 6 7.256 1.466 0.691 0.729 1.000 0.800 CB 1.066 6 residues pruned to eliminate duplicates Z: 17 27.497 2.310 0.874 0.843 0.812 0.375 CB 1.455 17 residues pruned to eliminate duplicates Z: 10 11.229 2.354 0.679 0.350 0.778 0.333 CB 1.433 10 residues pruned to eliminate duplicates Z: 15 14.059 2.119 0.543 0.336 0.857 0.429 CB 1.604 15 residues pruned to eliminate duplicates Z: 8 18.610 1.850 0.924 0.873 1.000 0.857 CA 1.440 8 residues pruned to eliminate duplicates Z: 12 13.816 2.159 1.027 0.686 0.545 0.364 CB 1.472 12 residues pruned to eliminate duplicates Z: 16 17.300 2.265 0.591 0.495 0.933 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 25 31.121 2.069 0.739 0.648 0.917 0.667 CB 1.679 25 residues pruned to eliminate duplicates Z: 6 17.931 2.138 0.788 0.693 1.000 0.800 N 1.759 6 residues pruned to eliminate duplicates Z: 7 5.566 1.709 0.698 0.588 0.833 0.667 CB 0.864 Z: 9 5.040 1.506 1.120 0.576 0.750 0.625 CB 0.692 Z: 10 14.428 2.299 0.363 0.462 1.000 0.778 CB 1.594 10 residues pruned to eliminate duplicates Z: 11 5.283 1.755 0.283 0.466 0.800 0.500 CB 0.960 Z: 16 24.521 1.814 0.982 0.750 0.933 0.533 CA 1.509 16 residues pruned to eliminate duplicates Z: 28 24.865 2.160 0.676 0.536 0.852 0.593 CB 1.497 28 residues pruned to eliminate duplicates Z: 30 35.432 2.251 0.873 0.472 0.931 0.483 CB 1.724 30 residues pruned to eliminate duplicates Z: 25 10.874 1.942 0.788 0.292 0.833 0.292 CB 0.968 25 residues pruned to eliminate duplicates Z: 16 9.529 1.865 0.855 0.314 0.733 0.533 CB 1.191 16 residues pruned to eliminate duplicates Z: 49 31.240 2.107 0.839 0.442 0.833 0.500 CB 1.483 49 residues pruned to eliminate duplicates Z: 24 44.291 2.327 1.033 0.684 0.957 0.522 CB 1.724 24 residues pruned to eliminate duplicates Z: 28 11.657 1.842 0.466 0.464 0.741 0.481 CB 1.164 28 residues pruned to eliminate duplicates Z: 31 33.847 2.332 0.684 0.597 0.867 0.667 CA 1.656 31 residues pruned to eliminate duplicates Z: 6 2.972 1.823 -0.331 0.672 1.000 0.800 CB 0.930 Z: 30 41.416 2.383 0.906 0.477 0.966 0.690 CB 1.794 30 residues pruned to eliminate duplicates Z: 6 3.776 1.403 0.644 0.666 0.800 0.800 N 0.785 Z: 20 19.191 1.813 0.786 0.626 0.842 0.632 CB 1.434 20 residues pruned to eliminate duplicates Z: 24 23.129 2.218 0.859 0.416 0.870 0.609 CB 1.468 24 residues pruned to eliminate duplicates Z: 12 7.856 1.685 0.912 0.449 0.818 0.455 N 0.947 12 residues pruned to eliminate duplicates Z: 6 5.027 1.626 0.373 0.464 0.800 0.600 CB 1.305 Z: 8 2.150 1.618 -0.109 0.458 1.000 0.714 CB 0.589 Z: 15 10.706 1.882 0.639 0.516 0.929 0.714 CB 0.984 15 residues pruned to eliminate duplicates Z: 17 12.020 1.832 0.659 0.390 0.875 0.562 CB 1.270 17 residues pruned to eliminate duplicates Z: 22 14.524 2.235 0.568 0.453 0.762 0.476 CB 1.245 22 residues pruned to eliminate duplicates Z: 6 5.453 1.713 0.855 0.439 0.800 0.400 CB 1.022 7 1.828 1.610 0.514 0.243 0.500 0.500 N 0.824 ? Z: 23 22.430 2.111 0.779 0.464 0.909 0.591 CB 1.453 23 residues pruned to eliminate duplicates Z: 7 5.896 1.619 0.602 0.635 1.000 0.333 O 0.817 Z: 37 41.028 2.257 1.045 0.525 0.889 0.472 CB 1.626 37 residues pruned to eliminate duplicates Z: 7 4.679 1.742 0.070 0.642 0.833 0.833 CB 1.077 6 residues pruned to eliminate duplicates Z: 70 60.601 2.392 1.038 0.512 0.870 0.536 CB 1.700 70 residues pruned to eliminate duplicates Z: 18 34.230 2.288 0.788 0.857 1.000 0.765 CA 1.496 18 residues pruned to eliminate duplicates Z: 65 45.885 2.108 0.900 0.565 0.891 0.625 CB 1.509 73 residues pruned to eliminate duplicates Z: 9 7.571 1.661 0.598 0.479 0.750 0.625 O 1.373 Z: 23 17.543 2.191 0.748 0.255 0.909 0.364 CB 1.423 23 residues pruned to eliminate duplicates Z: 6 8.867 1.875 0.832 0.362 1.000 0.600 CB 1.340 6 residues pruned to eliminate duplicates Z: 16 30.632 2.176 0.799 0.898 1.000 0.867 CA 1.445 16 residues pruned to eliminate duplicates Z: 6 3.867 1.900 0.042 0.476 0.800 0.600 N 1.119 9 1.978 1.324 0.407 0.356 0.625 0.375 N 0.701 ? Z: 33 31.117 2.342 0.910 0.470 0.906 0.625 CB 1.399 33 residues pruned to eliminate duplicates Z: 8 11.989 1.825 1.064 0.584 0.857 0.429 CB 1.294 8 residues pruned to eliminate duplicates Z: 15 13.533 2.040 0.781 0.341 0.786 0.571 CB 1.506 15 residues pruned to eliminate duplicates Z: 6 4.444 1.773 0.899 0.473 0.600 0.400 CB 1.011 Z: 9 4.045 1.640 -0.153 0.771 0.875 0.625 N 0.926 Z: 7 3.878 1.909 0.022 0.694 0.833 0.667 CB 0.815 7 residues pruned to eliminate duplicates Z: 7 6.163 1.519 0.580 0.642 0.833 0.833 CA 1.101 7 residues pruned to eliminate duplicates Z: 8 20.153 1.933 0.844 0.910 1.000 0.857 CB 1.516 8 residues pruned to eliminate duplicates Z: 9 4.651 1.452 0.369 0.473 0.875 0.500 CB 0.971 7 residues pruned to eliminate duplicates Z: 43 30.580 2.198 0.819 0.481 0.857 0.500 CB 1.403 43 residues pruned to eliminate duplicates Z: 13 16.891 1.862 0.570 0.800 0.917 0.833 CB 1.400 13 residues pruned to eliminate duplicates Z: 6 3.971 1.601 0.234 0.527 0.800 0.600 CB 1.095 Z: 19 19.566 2.225 0.581 0.339 0.889 0.556 CB 1.758 19 residues pruned to eliminate duplicates Z: 6 4.735 1.730 1.500 0.481 0.800 0.600 N 0.624 6 residues pruned to eliminate duplicates Z: 6 2.717 1.638 0.226 0.346 0.800 0.600 N 0.894 Z: 6 3.568 1.550 0.496 0.285 1.000 0.800 N 0.877 Z: 104 62.697 2.201 0.889 0.535 0.893 0.524 CB 1.608 104 residues pruned to eliminate duplicates Z: 12 8.663 1.854 0.745 0.431 0.727 0.455 N 1.192 Z: 18 30.791 2.159 1.407 0.555 0.882 0.647 CB 1.544 18 residues pruned to eliminate duplicates Z: 10 16.826 2.032 0.941 0.390 1.000 0.667 CA 1.597 10 residues pruned to eliminate duplicates Z: 17 27.808 2.255 1.171 0.529 0.938 0.688 CB 1.472 17 residues pruned to eliminate duplicates Z: 9 14.498 1.959 0.382 0.762 1.000 0.500 CA 1.501 9 residues pruned to eliminate duplicates Z: 6 2.954 1.610 -0.055 0.451 0.800 0.400 CB 1.142 Z: 9 6.682 1.797 0.295 0.453 0.875 0.625 N 1.218 6 residues pruned to eliminate duplicates Z: 25 24.875 2.184 0.801 0.450 0.875 0.625 CB 1.553 25 residues pruned to eliminate duplicates Z: 9 11.039 1.971 0.690 0.506 0.750 0.250 CB 1.552 9 residues pruned to eliminate duplicates Z: 18 19.026 2.179 0.593 0.559 0.941 0.647 CB 1.334 18 residues pruned to eliminate duplicates Z: 8 2.507 1.583 0.189 0.313 0.857 0.571 N 0.722 Z: 15 5.962 1.788 0.413 0.204 0.643 0.286 CB 1.393 15 residues pruned to eliminate duplicates Z: 49 32.681 2.125 0.628 0.543 0.854 0.500 CB 1.530 49 residues pruned to eliminate duplicates Z: 33 33.894 2.261 0.924 0.519 0.906 0.594 CB 1.492 32 residues pruned to eliminate duplicates Z: 7 2.220 1.542 0.145 0.343 0.667 0.667 CB 0.913 Z: 6 5.822 1.756 0.698 0.500 0.800 0.600 CA 1.092 6 residues pruned to eliminate duplicates Z: 8 2.955 1.497 0.575 0.226 0.571 0.286 CA 1.142 Z: 15 20.019 1.941 0.838 0.753 0.857 0.643 CB 1.397 15 residues pruned to eliminate duplicates Z: 13 11.019 1.986 0.467 0.505 0.833 0.583 CB 1.303 13 residues pruned to eliminate duplicates Z: 8 6.023 1.714 0.764 0.350 0.714 0.429 N 1.241 Z: 10 5.049 1.803 -0.064 0.692 0.889 0.556 CB 0.941 6 residues pruned to eliminate duplicates Z: 31 22.178 2.020 0.727 0.464 0.800 0.433 CB 1.505 31 residues pruned to eliminate duplicates Z: 8 14.180 1.778 0.746 0.889 0.857 0.571 CB 1.451 8 residues pruned to eliminate duplicates Z: 66 74.835 2.385 1.158 0.550 0.954 0.569 CB 1.801 66 residues pruned to eliminate duplicates Z: 80 45.915 2.111 1.011 0.457 0.835 0.494 CB 1.522 80 residues pruned to eliminate duplicates Z: 15 40.150 2.411 1.078 0.797 0.929 0.857 CB 1.778 15 residues pruned to eliminate duplicates Z: 32 27.837 2.114 0.971 0.404 0.839 0.452 CB 1.583 32 residues pruned to eliminate duplicates Z: 7 3.606 1.614 0.439 0.454 0.667 0.667 CB 0.997 Z: 18 15.899 2.339 0.668 0.407 0.824 0.588 CB 1.322 19 residues pruned to eliminate duplicates Z: 8 9.294 1.836 0.795 0.584 0.857 0.857 CB 1.148 Z: 6 6.219 1.805 0.356 0.806 0.800 0.600 CB 1.088 Z: 44 32.410 2.297 0.648 0.457 0.860 0.488 CB 1.586 44 residues pruned to eliminate duplicates Z: 6 2.073 1.787 -0.007 0.395 0.600 0.200 CB 0.973 Z: 11 6.252 1.763 0.716 0.431 0.700 0.400 CB 1.003 11 residues pruned to eliminate duplicates Z: 6 2.512 1.350 1.177 0.465 1.000 0.600 CB 0.396 Z: 7 4.268 1.726 0.011 0.435 1.000 0.500 CB 1.068 6 1.508 1.702 0.088 0.468 0.800 0.400 CB 0.470 ? Z: 14 16.378 2.185 0.765 0.397 0.846 0.538 CB 1.553 14 residues pruned to eliminate duplicates Z: 12 18.012 2.117 1.134 0.802 0.818 0.364 CB 1.128 12 residues pruned to eliminate duplicates Z: 19 4.249 1.646 0.254 0.199 0.722 0.278 CB 0.960 Z: 6 2.017 1.637 0.342 0.370 0.600 0.600 CB 0.787 Z: 6 2.066 1.694 0.146 0.133 0.600 0.400 CB 1.253 Using tripeptides from previous cycle as seeds Z: 6 4.903 1.583 0.935 0.251 0.800 0.400 CB 1.192 6 residues pruned to eliminate duplicates Z: 18 19.373 2.259 0.695 0.518 0.882 0.588 CB 1.366 18 residues pruned to eliminate duplicates Z: 125 64.005 2.246 0.866 0.502 0.895 0.573 CB 1.529 125 residues pruned to eliminate duplicates Z: 20 11.801 2.095 0.726 0.403 0.789 0.474 CB 1.051 20 residues pruned to eliminate duplicates Z: 6 8.086 1.826 0.414 0.394 1.000 0.400 CB 1.566 6 residues pruned to eliminate duplicates Z: 17 22.731 2.125 1.092 0.386 0.938 0.562 CB 1.538 17 residues pruned to eliminate duplicates Z: 17 21.534 2.275 0.899 0.431 0.938 0.562 CB 1.427 17 residues pruned to eliminate duplicates Z: 42 29.397 2.235 0.908 0.402 0.829 0.585 CB 1.439 42 residues pruned to eliminate duplicates Z: 12 14.598 2.078 0.809 0.469 0.909 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 22 15.741 2.146 0.659 0.361 0.905 0.571 CB 1.239 22 residues pruned to eliminate duplicates Z: 28 26.567 2.248 0.833 0.453 0.889 0.556 CB 1.465 28 residues pruned to eliminate duplicates Z: 23 19.835 2.158 0.914 0.407 0.864 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 6 5.478 1.928 0.569 0.431 0.800 0.200 CB 1.087 6 residues pruned to eliminate duplicates Z: 12 5.161 1.879 0.620 0.118 0.727 0.273 CB 1.137 Z: 6 2.634 1.402 0.859 0.210 0.800 0.200 CB 0.796 6 residues pruned to eliminate duplicates Z: 31 30.923 2.241 1.144 0.453 0.833 0.500 CB 1.480 43 residues pruned to eliminate duplicates Z: 29 27.662 2.235 1.133 0.426 0.786 0.464 CB 1.507 29 residues pruned to eliminate duplicates Z: 43 31.529 2.184 0.953 0.411 0.833 0.524 CB 1.502 43 residues pruned to eliminate duplicates Z: 29 24.927 2.201 0.931 0.348 0.821 0.500 CB 1.591 29 residues pruned to eliminate duplicates Z: 32 26.397 2.169 1.068 0.443 0.774 0.516 CB 1.448 32 residues pruned to eliminate duplicates Z: 96 48.971 2.220 0.794 0.402 0.874 0.547 CB 1.601 96 residues pruned to eliminate duplicates Z: 31 27.816 2.261 0.998 0.446 0.833 0.567 CB 1.426 31 residues pruned to eliminate duplicates Z: 70 52.208 2.382 0.915 0.455 0.855 0.464 CB 1.688 70 residues pruned to eliminate duplicates Z: 64 32.092 2.187 1.024 0.345 0.794 0.492 CB 1.362 196 residues pruned to eliminate duplicates Z: 7 5.934 1.850 1.299 0.343 0.500 0.500 CA 1.352 7 residues pruned to eliminate duplicates Z: 23 28.272 2.295 1.171 0.429 0.864 0.591 CB 1.507 23 residues pruned to eliminate duplicates Z: 41 23.149 2.273 0.903 0.288 0.675 0.450 CB 1.591 41 residues pruned to eliminate duplicates Z: 33 19.322 2.243 0.772 0.345 0.719 0.406 CB 1.414 33 residues pruned to eliminate duplicates Z: 26 25.978 2.287 0.997 0.408 0.800 0.480 CB 1.566 26 residues pruned to eliminate duplicates Z: 61 56.298 2.390 1.024 0.502 0.883 0.533 CB 1.698 61 residues pruned to eliminate duplicates Z: 101 54.947 2.241 0.936 0.483 0.830 0.430 CB 1.552 101 residues pruned to eliminate duplicates Z: 66 52.931 2.352 1.007 0.473 0.862 0.615 CB 1.659 66 residues pruned to eliminate duplicates Z: 10 11.911 2.164 0.889 0.449 0.667 0.556 CA 1.535 10 residues pruned to eliminate duplicates Z: 85 58.800 2.323 0.950 0.509 0.857 0.488 CB 1.638 85 residues pruned to eliminate duplicates Z: 32 24.528 2.217 0.903 0.331 0.806 0.516 CB 1.559 32 residues pruned to eliminate duplicates Z: 50 45.198 2.382 0.892 0.455 0.878 0.449 CA 1.709 50 residues pruned to eliminate duplicates Z: 64 56.333 2.410 0.994 0.472 0.889 0.556 CB 1.710 64 residues pruned to eliminate duplicates Z: 65 56.767 2.350 0.992 0.503 0.906 0.547 CB 1.668 65 residues pruned to eliminate duplicates Z: 60 48.564 2.353 0.906 0.459 0.881 0.441 CB 1.668 60 residues pruned to eliminate duplicates Z: 44 46.333 2.409 0.939 0.494 0.884 0.605 CB 1.723 44 residues pruned to eliminate duplicates Z: 43 43.888 2.379 0.896 0.456 0.905 0.548 CB 1.736 43 residues pruned to eliminate duplicates Z: 44 44.979 2.421 0.814 0.457 0.907 0.535 CA 1.799 44 residues pruned to eliminate duplicates Z: 45 42.636 2.390 0.879 0.451 0.886 0.614 CB 1.698 45 residues pruned to eliminate duplicates Z: 47 51.347 2.323 1.009 0.504 0.935 0.522 CB 1.729 47 residues pruned to eliminate duplicates Z: 50 45.919 2.329 0.961 0.491 0.878 0.612 CB 1.651 50 residues pruned to eliminate duplicates Z: 38 49.634 2.373 1.022 0.551 0.946 0.541 CB 1.710 38 residues pruned to eliminate duplicates Z: 81 55.610 2.222 0.894 0.537 0.887 0.512 CB 1.605 81 residues pruned to eliminate duplicates Z: 39 51.768 2.427 1.031 0.531 0.947 0.500 CB 1.745 39 residues pruned to eliminate duplicates Z: 65 50.983 2.393 0.955 0.467 0.859 0.547 CB 1.640 65 residues pruned to eliminate duplicates Z: 65 46.908 2.333 0.880 0.500 0.812 0.531 CB 1.645 65 residues pruned to eliminate duplicates Z: 44 44.702 2.424 0.972 0.488 0.837 0.395 CB 1.723 44 residues pruned to eliminate duplicates Z: 65 51.210 2.338 0.960 0.502 0.859 0.516 CB 1.622 65 residues pruned to eliminate duplicates Z: 36 37.479 2.258 1.106 0.481 0.886 0.429 CB 1.533 36 residues pruned to eliminate duplicates Z: 59 54.277 2.350 0.993 0.527 0.897 0.517 CB 1.654 59 residues pruned to eliminate duplicates Z: 46 41.132 2.385 0.919 0.455 0.867 0.444 CB 1.619 46 residues pruned to eliminate duplicates Z: 39 53.755 2.406 1.087 0.519 0.974 0.474 CB 1.751 39 residues pruned to eliminate duplicates Z: 43 52.513 2.408 1.090 0.497 0.929 0.595 CB 1.739 43 residues pruned to eliminate duplicates Z: 41 46.299 2.355 1.014 0.526 0.900 0.500 CB 1.672 41 residues pruned to eliminate duplicates Z: 38 50.403 2.397 1.154 0.513 0.919 0.514 CB 1.724 38 residues pruned to eliminate duplicates Z: 59 53.710 2.360 1.018 0.537 0.879 0.534 CB 1.625 59 residues pruned to eliminate duplicates Z: 58 49.938 2.342 1.018 0.539 0.860 0.491 CB 1.567 58 residues pruned to eliminate duplicates Z: 39 50.747 2.451 1.126 0.517 0.921 0.605 CB 1.686 39 residues pruned to eliminate duplicates Z: 44 46.237 2.414 0.971 0.494 0.884 0.395 CB 1.688 44 residues pruned to eliminate duplicates Z: 109 61.478 2.226 0.899 0.509 0.889 0.583 CB 1.560 109 residues pruned to eliminate duplicates Z: 40 36.510 2.327 0.877 0.423 0.897 0.538 CB 1.616 40 residues pruned to eliminate duplicates Z: 64 50.787 2.319 0.993 0.506 0.841 0.587 CB 1.635 64 residues pruned to eliminate duplicates Z: 46 49.089 2.339 1.089 0.500 0.889 0.533 CB 1.684 46 residues pruned to eliminate duplicates Z: 41 42.715 2.414 0.910 0.480 0.850 0.500 CB 1.758 41 residues pruned to eliminate duplicates Z: 76 62.326 2.352 1.073 0.490 0.907 0.587 CB 1.645 76 residues pruned to eliminate duplicates Z: 42 55.174 2.403 1.195 0.511 0.951 0.683 CB 1.699 42 residues pruned to eliminate duplicates Z: 68 55.316 2.278 1.063 0.507 0.910 0.537 CB 1.568 68 residues pruned to eliminate duplicates Z: 91 62.908 2.290 1.076 0.522 0.878 0.556 CB 1.555 91 residues pruned to eliminate duplicates Z: 51 54.650 2.372 1.052 0.533 0.940 0.500 CB 1.635 51 residues pruned to eliminate duplicates Z: 71 54.005 2.242 0.983 0.492 0.929 0.443 CB 1.576 71 residues pruned to eliminate duplicates Z: 84 63.274 2.321 0.992 0.506 0.904 0.578 CB 1.652 84 residues pruned to eliminate duplicates Z: 67 45.535 2.235 0.859 0.476 0.879 0.409 CB 1.574 67 residues pruned to eliminate duplicates Z: 87 58.908 2.303 1.040 0.478 0.860 0.535 CB 1.607 87 residues pruned to eliminate duplicates Z: 62 57.107 2.302 1.143 0.481 0.902 0.508 CB 1.676 62 residues pruned to eliminate duplicates Z: 58 59.302 2.316 1.080 0.519 0.930 0.386 CB 1.721 58 residues pruned to eliminate duplicates Z: 61 59.496 2.299 1.038 0.582 0.917 0.400 CB 1.653 61 residues pruned to eliminate duplicates Z: 67 53.396 2.308 1.012 0.499 0.864 0.561 CB 1.640 67 residues pruned to eliminate duplicates Z: 86 56.677 2.198 0.985 0.524 0.894 0.529 CB 1.539 86 residues pruned to eliminate duplicates Z: 26 31.022 2.120 0.897 0.590 0.960 0.480 CB 1.475 26 residues pruned to eliminate duplicates Z: 80 67.844 2.334 1.139 0.510 0.911 0.557 CB 1.662 80 residues pruned to eliminate duplicates Z: 90 60.658 2.262 1.074 0.483 0.876 0.494 CB 1.591 90 residues pruned to eliminate duplicates Z: 59 52.771 2.355 1.171 0.477 0.862 0.414 CB 1.609 59 residues pruned to eliminate duplicates Z: 103 61.753 2.173 1.059 0.507 0.922 0.529 CB 1.473 103 residues pruned to eliminate duplicates Z: 70 53.669 2.189 0.997 0.510 0.957 0.551 CB 1.530 70 residues pruned to eliminate duplicates Z: 28 30.250 2.041 1.009 0.560 0.926 0.519 CA 1.447 28 residues pruned to eliminate duplicates Z: 140 62.585 2.223 0.830 0.487 0.885 0.525 CB 1.493 140 residues pruned to eliminate duplicates Z: 65 60.737 2.332 1.164 0.505 0.891 0.531 CB 1.681 65 residues pruned to eliminate duplicates Z: 66 56.467 2.253 1.050 0.544 0.938 0.492 CB 1.548 66 residues pruned to eliminate duplicates Z: 68 57.873 2.292 1.053 0.509 0.896 0.552 CB 1.663 68 residues pruned to eliminate duplicates Z: 58 60.637 2.339 1.121 0.569 0.895 0.561 CB 1.692 58 residues pruned to eliminate duplicates Z: 40 20.384 1.984 0.811 0.354 0.795 0.462 CB 1.337 40 residues pruned to eliminate duplicates Z: 63 60.146 2.248 1.161 0.555 0.903 0.516 CB 1.650 63 residues pruned to eliminate duplicates Z: 28 26.924 2.101 0.849 0.541 0.889 0.593 CB 1.442 28 residues pruned to eliminate duplicates Z: 72 51.815 2.192 1.052 0.482 0.901 0.493 CB 1.545 72 residues pruned to eliminate duplicates Z: 46 34.813 2.083 0.749 0.547 0.911 0.667 CB 1.493 46 residues pruned to eliminate duplicates Z: 90 64.340 2.272 0.982 0.549 0.933 0.539 CB 1.548 90 residues pruned to eliminate duplicates Z: 117 67.216 2.213 0.913 0.534 0.931 0.526 CB 1.532 117 residues pruned to eliminate duplicates Z: 86 54.682 2.211 0.974 0.510 0.906 0.541 CB 1.485 86 residues pruned to eliminate duplicates Z: 32 24.406 2.059 0.685 0.480 0.871 0.548 CB 1.480 32 residues pruned to eliminate duplicates Z: 91 65.245 2.260 0.978 0.531 0.944 0.567 CB 1.580 91 residues pruned to eliminate duplicates Z: 21 29.143 2.247 0.739 0.657 0.950 0.600 CA 1.518 21 residues pruned to eliminate duplicates Z: 48 33.660 2.069 0.726 0.566 0.915 0.702 CB 1.410 48 residues pruned to eliminate duplicates Z: 89 59.168 2.231 0.968 0.511 0.875 0.545 CB 1.625 89 residues pruned to eliminate duplicates Z: 94 61.129 2.251 0.866 0.510 0.914 0.516 CB 1.635 94 residues pruned to eliminate duplicates Z: 94 65.090 2.246 0.978 0.535 0.925 0.602 CB 1.587 94 residues pruned to eliminate duplicates Z: 97 58.988 2.229 0.809 0.516 0.906 0.573 CB 1.621 97 residues pruned to eliminate duplicates Z: 107 68.309 2.261 0.948 0.531 0.915 0.566 CB 1.597 107 residues pruned to eliminate duplicates Z: 29 23.796 2.084 0.556 0.549 0.929 0.607 CB 1.424 29 residues pruned to eliminate duplicates Z: 30 21.817 1.995 0.437 0.595 0.931 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 41 33.544 2.074 0.653 0.597 0.925 0.650 CB 1.524 41 residues pruned to eliminate duplicates Z: 29 29.685 2.087 0.722 0.555 0.964 0.607 CB 1.534 29 residues pruned to eliminate duplicates Z: 90 57.440 2.239 0.896 0.552 0.876 0.483 CB 1.555 90 residues pruned to eliminate duplicates Z: 94 58.733 2.218 0.898 0.523 0.882 0.581 CB 1.604 94 residues pruned to eliminate duplicates Z: 30 23.774 2.089 0.647 0.543 0.828 0.517 CB 1.486 30 residues pruned to eliminate duplicates Z: 27 28.269 2.093 0.779 0.517 0.885 0.538 CB 1.655 27 residues pruned to eliminate duplicates Z: 118 60.679 2.234 0.898 0.484 0.855 0.530 CB 1.573 118 residues pruned to eliminate duplicates Z: 29 30.476 2.087 0.705 0.579 0.929 0.679 CB 1.616 29 residues pruned to eliminate duplicates Z: 32 25.335 2.014 0.668 0.548 0.871 0.645 CB 1.484 32 residues pruned to eliminate duplicates Z: 94 58.839 2.223 0.945 0.544 0.882 0.516 CB 1.532 94 residues pruned to eliminate duplicates Z: 50 38.672 2.218 0.674 0.534 0.918 0.633 CB 1.566 50 residues pruned to eliminate duplicates Z: 58 38.058 2.156 0.700 0.512 0.895 0.544 CB 1.518 58 residues pruned to eliminate duplicates Z: 7 9.423 2.016 0.871 0.335 0.833 0.333 CA 1.465 7 residues pruned to eliminate duplicates Z: 41 39.030 2.182 0.750 0.572 0.950 0.600 CB 1.586 41 residues pruned to eliminate duplicates Z: 88 54.623 2.260 0.936 0.465 0.874 0.517 CB 1.587 88 residues pruned to eliminate duplicates Z: 135 68.051 2.240 0.992 0.494 0.873 0.530 CB 1.518 135 residues pruned to eliminate duplicates Z: 16 24.593 2.247 0.901 0.570 0.800 0.467 CB 1.736 16 residues pruned to eliminate duplicates Z: 111 65.928 2.243 0.930 0.554 0.900 0.509 CB 1.530 111 residues pruned to eliminate duplicates Z: 32 32.167 2.227 0.758 0.513 0.871 0.419 CB 1.673 32 residues pruned to eliminate duplicates Z: 29 19.731 2.053 0.808 0.391 0.821 0.500 CB 1.373 29 residues pruned to eliminate duplicates Z: 26 21.018 2.136 0.820 0.408 0.720 0.440 CB 1.654 26 residues pruned to eliminate duplicates Z: 37 32.451 2.232 0.739 0.491 0.889 0.500 CB 1.582 37 residues pruned to eliminate duplicates Z: 138 69.861 2.226 0.885 0.511 0.898 0.504 CB 1.568 138 residues pruned to eliminate duplicates Z: 38 23.043 2.019 0.700 0.345 0.838 0.405 CB 1.559 38 residues pruned to eliminate duplicates Z: 26 27.915 2.223 0.748 0.515 0.960 0.560 CB 1.474 26 residues pruned to eliminate duplicates Z: 173 77.187 2.269 0.794 0.519 0.901 0.558 CB 1.574 171 residues pruned to eliminate duplicates Z: 6 9.543 2.250 0.454 0.298 1.000 0.400 CA 1.634 6 residues pruned to eliminate duplicates Z: 27 24.789 2.106 0.706 0.458 0.923 0.500 CB 1.530 27 residues pruned to eliminate duplicates Z: 12 13.827 2.108 1.036 0.377 0.727 0.545 CB 1.522 12 residues pruned to eliminate duplicates Z: 12 16.019 2.186 0.765 0.338 0.909 0.636 CB 1.643 12 residues pruned to eliminate duplicates Z: 13 16.564 2.061 0.895 0.358 1.000 0.500 CB 1.426 13 residues pruned to eliminate duplicates Z: 24 17.716 2.139 0.822 0.283 0.870 0.435 CB 1.393 24 residues pruned to eliminate duplicates Z: 23 17.441 2.194 0.632 0.331 0.818 0.318 CB 1.527 23 residues pruned to eliminate duplicates Z: 49 22.295 2.117 0.564 0.361 0.812 0.479 CB 1.389 49 residues pruned to eliminate duplicates Z: 29 32.671 2.248 0.849 0.506 0.893 0.571 CB 1.654 29 residues pruned to eliminate duplicates Z: 18 19.737 2.109 0.932 0.414 0.824 0.529 CB 1.561 18 residues pruned to eliminate duplicates Z: 33 24.514 2.212 0.748 0.380 0.875 0.375 CB 1.455 33 residues pruned to eliminate duplicates Z: 21 17.227 2.266 0.650 0.342 0.850 0.400 CB 1.439 21 residues pruned to eliminate duplicates Z: 19 19.976 2.148 0.935 0.371 0.889 0.556 CB 1.463 19 residues pruned to eliminate duplicates Z: 23 18.419 2.164 0.711 0.352 0.909 0.545 CB 1.369 23 residues pruned to eliminate duplicates Z: 25 18.432 2.145 0.725 0.334 0.875 0.458 CB 1.393 25 residues pruned to eliminate duplicates Z: 26 14.937 2.202 0.527 0.336 0.800 0.440 CB 1.328 26 residues pruned to eliminate duplicates Z: 19 15.558 2.051 0.687 0.327 0.833 0.500 CB 1.537 19 residues pruned to eliminate duplicates Z: 23 18.311 2.228 0.612 0.396 0.818 0.545 CB 1.482 23 residues pruned to eliminate duplicates Z: 36 23.363 2.255 0.644 0.383 0.857 0.514 CB 1.407 36 residues pruned to eliminate duplicates Z: 31 25.983 2.242 0.623 0.443 0.900 0.300 CB 1.536 31 residues pruned to eliminate duplicates Z: 30 26.031 2.228 0.708 0.455 0.897 0.586 CB 1.484 30 residues pruned to eliminate duplicates Z: 16 17.983 2.267 0.566 0.596 0.800 0.533 CB 1.490 16 residues pruned to eliminate duplicates Z: 65 44.065 2.239 0.903 0.435 0.891 0.438 CB 1.553 65 residues pruned to eliminate duplicates Z: 27 23.551 2.271 0.654 0.457 0.808 0.577 CB 1.590 27 residues pruned to eliminate duplicates Z: 30 28.524 2.278 0.789 0.465 0.862 0.517 CB 1.563 30 residues pruned to eliminate duplicates Z: 22 19.988 2.253 0.565 0.516 0.857 0.524 CB 1.421 22 residues pruned to eliminate duplicates Z: 18 23.887 2.209 0.737 0.528 0.941 0.647 CB 1.561 18 residues pruned to eliminate duplicates Z: 13 25.383 2.241 0.606 0.679 1.000 0.833 CB 1.726 13 residues pruned to eliminate duplicates Z: 10 16.484 2.253 0.623 0.704 0.778 0.667 CA 1.604 10 residues pruned to eliminate duplicates Z: 10 24.308 2.447 0.626 0.596 1.000 0.778 CA 1.859 10 residues pruned to eliminate duplicates Z: 16 18.807 2.367 0.564 0.479 0.800 0.600 CB 1.675 16 residues pruned to eliminate duplicates Z: 18 16.243 2.227 0.504 0.436 0.824 0.588 CB 1.526 18 residues pruned to eliminate duplicates Z: 40 38.433 2.321 0.678 0.516 0.923 0.769 CB 1.685 43 residues pruned to eliminate duplicates Z: 10 18.120 2.074 0.907 0.713 1.000 0.667 CB 1.259 10 residues pruned to eliminate duplicates Z: 23 44.169 2.381 1.102 0.647 0.955 0.727 CB 1.718 23 residues pruned to eliminate duplicates Z: 31 33.210 2.357 0.796 0.537 0.867 0.700 CB 1.594 30 residues pruned to eliminate duplicates Z: 14 40.085 2.172 1.375 0.888 0.923 0.769 CA 1.682 14 residues pruned to eliminate duplicates Z: 32 34.796 2.316 0.770 0.539 0.968 0.710 CB 1.516 32 residues pruned to eliminate duplicates Z: 13 28.464 2.267 1.231 0.835 0.833 0.667 CA 1.461 13 residues pruned to eliminate duplicates Z: 30 34.539 2.354 0.772 0.539 0.966 0.621 CB 1.533 30 residues pruned to eliminate duplicates Z: 31 32.323 2.289 0.833 0.528 0.900 0.600 CB 1.521 31 residues pruned to eliminate duplicates Z: 30 33.101 2.353 0.866 0.544 0.897 0.448 CB 1.495 30 residues pruned to eliminate duplicates Z: 32 34.138 2.285 0.826 0.548 0.968 0.581 CB 1.449 32 residues pruned to eliminate duplicates Z: 30 38.062 2.326 0.915 0.572 0.966 0.586 CB 1.533 31 residues pruned to eliminate duplicates Z: 12 41.226 2.265 1.671 0.918 1.000 0.364 CB 1.449 12 residues pruned to eliminate duplicates Z: 28 39.130 2.402 0.885 0.571 0.963 0.593 CB 1.613 28 residues pruned to eliminate duplicates Z: 14 27.088 2.299 1.377 0.696 0.769 0.462 CB 1.495 14 residues pruned to eliminate duplicates Z: 30 38.517 2.363 0.972 0.560 0.931 0.483 CB 1.555 30 residues pruned to eliminate duplicates Z: 6 6.885 1.722 0.553 0.458 0.800 0.600 O 1.502 6 residues pruned to eliminate duplicates Z: 29 41.911 2.353 1.041 0.574 0.964 0.464 CB 1.593 29 residues pruned to eliminate duplicates Z: 7 4.849 2.030 0.288 0.324 0.667 0.500 CB 1.378 7 residues pruned to eliminate duplicates Z: 31 37.196 2.321 0.876 0.576 0.933 0.433 CB 1.554 30 residues pruned to eliminate duplicates Z: 7 7.751 1.914 0.568 0.379 0.833 0.333 CA 1.439 7 residues pruned to eliminate duplicates Z: 37 33.427 2.247 0.983 0.478 0.861 0.250 CB 1.484 81 residues pruned to eliminate duplicates Z: 6 4.052 2.054 -0.139 0.339 1.000 0.400 CB 1.221 6 residues pruned to eliminate duplicates Z: 30 40.407 2.361 0.957 0.571 0.931 0.448 CB 1.629 30 residues pruned to eliminate duplicates Z: 21 20.695 2.202 0.526 0.480 0.950 0.600 CB 1.479 21 residues pruned to eliminate duplicates Z: 6 5.581 1.812 0.337 0.194 1.000 0.600 CA 1.485 6 residues pruned to eliminate duplicates Z: 8 13.216 2.321 0.222 0.579 1.000 0.714 CB 1.633 8 residues pruned to eliminate duplicates Z: 29 37.238 2.363 0.884 0.548 0.964 0.571 CB 1.565 29 residues pruned to eliminate duplicates Z: 17 22.271 2.341 0.585 0.407 1.000 0.625 CB 1.655 17 residues pruned to eliminate duplicates Z: 19 17.103 2.286 0.802 0.420 0.833 0.444 CB 1.276 20 residues pruned to eliminate duplicates Z: 7 5.157 1.704 0.062 0.357 1.000 0.500 CA 1.359 7 residues pruned to eliminate duplicates Z: 17 20.189 2.323 0.850 0.478 0.875 0.625 CB 1.372 17 residues pruned to eliminate duplicates Z: 40 35.777 2.289 0.989 0.503 0.846 0.564 CB 1.482 40 residues pruned to eliminate duplicates Z: 42 30.089 2.154 0.829 0.495 0.805 0.537 CB 1.488 42 residues pruned to eliminate duplicates Z: 20 14.928 2.196 0.663 0.388 0.789 0.421 CB 1.336 20 residues pruned to eliminate duplicates Z: 21 16.127 2.155 0.517 0.470 0.900 0.600 CB 1.263 21 residues pruned to eliminate duplicates Z: 17 19.600 2.323 0.626 0.513 0.938 0.688 CB 1.366 17 residues pruned to eliminate duplicates Z: 39 34.295 2.283 0.811 0.478 0.868 0.553 CB 1.584 39 residues pruned to eliminate duplicates Z: 6 4.656 1.650 0.607 0.429 0.800 0.400 CA 1.057 6 residues pruned to eliminate duplicates Z: 23 13.668 2.176 0.699 0.340 0.773 0.364 CB 1.214 23 residues pruned to eliminate duplicates Z: 18 17.045 2.252 0.533 0.509 0.941 0.647 CB 1.261 18 residues pruned to eliminate duplicates Z: 38 29.920 2.200 0.729 0.461 0.892 0.595 CB 1.508 38 residues pruned to eliminate duplicates Z: 58 46.823 2.299 0.884 0.552 0.895 0.596 CB 1.521 58 residues pruned to eliminate duplicates Z: 32 24.677 2.207 0.860 0.389 0.774 0.548 CB 1.568 32 residues pruned to eliminate duplicates Z: 29 28.593 2.238 1.073 0.401 0.821 0.464 CB 1.575 29 residues pruned to eliminate duplicates Z: 25 31.187 2.204 1.012 0.393 0.875 0.542 CB 1.836 25 residues pruned to eliminate duplicates Z: 26 37.289 2.313 1.190 0.457 0.920 0.560 CB 1.672 26 residues pruned to eliminate duplicates Z: 47 32.164 2.148 1.018 0.394 0.783 0.435 CB 1.563 47 residues pruned to eliminate duplicates Z: 27 31.387 2.218 1.119 0.463 0.846 0.462 CB 1.607 27 residues pruned to eliminate duplicates Z: 21 29.558 2.265 1.163 0.439 0.850 0.500 CA 1.691 21 residues pruned to eliminate duplicates Z: 88 65.214 2.319 1.032 0.483 0.908 0.540 CB 1.662 88 residues pruned to eliminate duplicates Z: 20 33.424 2.297 1.127 0.488 0.895 0.526 CA 1.776 20 residues pruned to eliminate duplicates Z: 23 36.241 2.315 1.176 0.475 0.864 0.455 CB 1.820 23 residues pruned to eliminate duplicates Z: 28 23.615 2.193 0.891 0.384 0.778 0.333 CB 1.594 28 residues pruned to eliminate duplicates Z: 38 36.391 2.233 0.927 0.469 0.919 0.541 CB 1.562 38 residues pruned to eliminate duplicates Z: 21 34.588 2.309 1.224 0.477 0.900 0.700 CA 1.713 21 residues pruned to eliminate duplicates Z: 38 33.602 2.214 0.773 0.470 0.892 0.568 CB 1.626 38 residues pruned to eliminate duplicates Z: 25 22.152 2.113 0.896 0.418 0.792 0.542 CB 1.553 25 residues pruned to eliminate duplicates Z: 38 34.183 2.248 0.852 0.457 0.865 0.541 CB 1.631 38 residues pruned to eliminate duplicates Z: 6 3.241 1.514 0.609 0.342 0.800 0.600 C 0.884 6 residues pruned to eliminate duplicates Z: 51 45.320 2.300 0.976 0.454 0.900 0.560 CB 1.642 51 residues pruned to eliminate duplicates Z: 43 43.951 2.413 0.826 0.483 0.952 0.619 CB 1.644 43 residues pruned to eliminate duplicates Z: 44 37.400 2.242 0.896 0.474 0.837 0.535 CB 1.645 44 residues pruned to eliminate duplicates Z: 55 50.545 2.341 0.990 0.497 0.926 0.481 CB 1.600 55 residues pruned to eliminate duplicates Z: 77 50.974 2.335 0.899 0.507 0.868 0.526 CB 1.508 77 residues pruned to eliminate duplicates Z: 22 25.804 2.277 0.764 0.636 0.857 0.619 CB 1.440 22 residues pruned to eliminate duplicates Z: 40 44.248 2.366 0.998 0.512 0.897 0.513 CB 1.649 40 residues pruned to eliminate duplicates Z: 25 27.056 2.153 0.670 0.596 0.875 0.583 CB 1.603 25 residues pruned to eliminate duplicates Z: 71 51.155 2.326 1.002 0.474 0.829 0.486 CB 1.627 71 residues pruned to eliminate duplicates Z: 27 25.548 2.202 0.678 0.624 0.885 0.654 CB 1.365 27 residues pruned to eliminate duplicates Z: 21 31.708 2.217 0.748 0.708 0.950 0.750 CB 1.595 21 residues pruned to eliminate duplicates Z: 61 50.104 2.323 0.945 0.531 0.883 0.517 CB 1.572 61 residues pruned to eliminate duplicates Z: 58 46.769 2.319 0.978 0.456 0.825 0.561 CB 1.713 58 residues pruned to eliminate duplicates Z: 50 46.474 2.382 0.837 0.524 0.898 0.592 CB 1.650 50 residues pruned to eliminate duplicates Z: 50 39.879 2.330 0.892 0.514 0.837 0.571 CB 1.524 50 residues pruned to eliminate duplicates Z: 24 25.830 2.225 0.792 0.627 0.913 0.652 CB 1.313 24 residues pruned to eliminate duplicates Z: 51 50.022 2.373 1.003 0.537 0.900 0.600 CB 1.595 51 residues pruned to eliminate duplicates Z: 43 50.904 2.339 0.948 0.560 0.929 0.643 CB 1.752 43 residues pruned to eliminate duplicates Z: 94 68.370 2.307 0.904 0.541 0.946 0.516 CB 1.638 94 residues pruned to eliminate duplicates Z: 101 57.627 2.279 0.856 0.490 0.910 0.540 CB 1.512 101 residues pruned to eliminate duplicates Z: 60 52.126 2.332 0.937 0.550 0.915 0.593 CB 1.563 60 residues pruned to eliminate duplicates Z: 67 49.627 2.315 0.873 0.511 0.879 0.515 CB 1.587 67 residues pruned to eliminate duplicates Z: 61 54.470 2.298 1.104 0.545 0.883 0.467 CB 1.576 61 residues pruned to eliminate duplicates Z: 44 39.383 2.267 0.955 0.491 0.884 0.488 CB 1.547 44 residues pruned to eliminate duplicates Z: 53 47.184 2.368 1.072 0.461 0.846 0.481 CB 1.640 53 residues pruned to eliminate duplicates Z: 63 45.129 2.246 0.928 0.447 0.887 0.516 CB 1.575 63 residues pruned to eliminate duplicates Z: 48 53.148 2.361 1.084 0.532 0.894 0.532 CB 1.708 48 residues pruned to eliminate duplicates Z: 43 51.831 2.394 1.070 0.548 0.952 0.667 CB 1.618 43 residues pruned to eliminate duplicates Z: 88 63.795 2.322 1.039 0.496 0.897 0.506 CB 1.618 88 residues pruned to eliminate duplicates Z: 83 54.048 2.249 0.975 0.464 0.890 0.500 CB 1.566 83 residues pruned to eliminate duplicates Z: 125 62.880 2.295 0.966 0.477 0.847 0.516 CB 1.514 125 residues pruned to eliminate duplicates Z: 69 52.963 2.305 0.950 0.540 0.882 0.574 CB 1.557 69 residues pruned to eliminate duplicates Z: 61 47.854 2.261 0.947 0.496 0.933 0.483 CB 1.510 61 residues pruned to eliminate duplicates Z: 54 47.043 2.355 1.004 0.481 0.849 0.623 CB 1.644 54 residues pruned to eliminate duplicates Z: 59 54.606 2.362 1.138 0.470 0.897 0.500 CB 1.633 59 residues pruned to eliminate duplicates Z: 48 55.313 2.335 1.086 0.515 0.979 0.404 CB 1.667 48 residues pruned to eliminate duplicates Z: 60 50.903 2.272 1.052 0.527 0.915 0.441 CB 1.513 60 residues pruned to eliminate duplicates Z: 90 64.663 2.288 1.089 0.509 0.888 0.539 CB 1.601 90 residues pruned to eliminate duplicates Z: 27 31.822 2.163 1.044 0.504 0.962 0.577 CB 1.463 27 residues pruned to eliminate duplicates Z: 28 28.014 2.147 1.008 0.497 0.852 0.481 CB 1.473 28 residues pruned to eliminate duplicates Z: 25 32.914 2.152 1.063 0.571 0.917 0.542 CB 1.540 25 residues pruned to eliminate duplicates Z: 64 49.868 2.240 1.048 0.526 0.889 0.587 CB 1.501 64 residues pruned to eliminate duplicates Z: 81 62.332 2.321 1.049 0.491 0.900 0.500 CB 1.643 81 residues pruned to eliminate duplicates Z: 103 65.023 2.291 0.951 0.502 0.912 0.549 CB 1.576 103 residues pruned to eliminate duplicates Z: 34 24.920 2.072 0.952 0.456 0.818 0.424 CB 1.371 34 residues pruned to eliminate duplicates Z: 25 36.646 2.245 1.124 0.558 0.958 0.500 CB 1.548 25 residues pruned to eliminate duplicates Z: 67 53.881 2.315 1.005 0.507 0.894 0.591 CB 1.588 67 residues pruned to eliminate duplicates Z: 61 61.030 2.343 1.100 0.562 0.950 0.517 CB 1.588 61 residues pruned to eliminate duplicates Z: 25 32.062 2.211 0.915 0.590 0.958 0.625 CB 1.480 25 residues pruned to eliminate duplicates Z: 82 57.503 2.275 1.026 0.462 0.901 0.457 CB 1.598 82 residues pruned to eliminate duplicates Z: 67 50.098 2.277 0.972 0.480 0.894 0.621 CB 1.567 67 residues pruned to eliminate duplicates Z: 25 32.711 2.224 1.100 0.559 0.875 0.458 CB 1.544 25 residues pruned to eliminate duplicates Z: 57 54.439 2.326 1.084 0.539 0.911 0.536 CB 1.587 57 residues pruned to eliminate duplicates Z: 25 32.921 2.257 0.973 0.567 0.917 0.500 CB 1.543 25 residues pruned to eliminate duplicates Z: 80 64.073 2.299 1.207 0.504 0.899 0.519 CB 1.574 80 residues pruned to eliminate duplicates Z: 67 57.784 2.349 1.004 0.507 0.909 0.591 CB 1.650 67 residues pruned to eliminate duplicates Z: 92 74.583 2.305 1.117 0.535 0.901 0.593 CB 1.717 286 residues pruned to eliminate duplicates Z: 102 67.855 2.311 1.003 0.536 0.881 0.545 CB 1.597 102 residues pruned to eliminate duplicates Z: 62 56.024 2.308 1.056 0.551 0.934 0.459 CB 1.539 62 residues pruned to eliminate duplicates Z: 28 31.994 2.140 1.175 0.516 0.889 0.444 CB 1.465 28 residues pruned to eliminate duplicates Z: 97 72.137 2.332 1.062 0.534 0.927 0.521 CB 1.597 97 residues pruned to eliminate duplicates Z: 64 51.955 2.300 0.963 0.545 0.841 0.524 CB 1.648 64 residues pruned to eliminate duplicates Z: 107 72.433 2.322 1.060 0.545 0.887 0.481 CB 1.587 107 residues pruned to eliminate duplicates Z: 24 36.367 2.346 0.836 0.651 0.957 0.652 CB 1.600 Z: 16 38.260 2.339 0.903 0.889 0.933 0.533 CA 1.712 17 residues pruned to eliminate duplicates Z: 16 38.542 2.333 0.876 0.867 1.000 0.467 CA 1.664 16 residues pruned to eliminate duplicates Z: 39 46.086 2.393 0.870 0.536 0.895 0.526 CB 1.801 24 residues pruned to eliminate duplicates Z: 14 39.034 2.432 1.016 0.903 0.923 0.538 CA 1.704 14 residues pruned to eliminate duplicates Z: 48 48.481 2.234 0.903 0.615 0.915 0.660 CB 1.631 86 residues pruned to eliminate duplicates Z: 24 38.445 2.340 0.948 0.624 0.957 0.652 CB 1.636 Z: 17 36.583 2.253 0.921 0.877 0.938 0.625 CA 1.637 17 residues pruned to eliminate duplicates Z: 17 43.694 2.263 1.144 0.878 1.000 0.688 CA 1.634 17 residues pruned to eliminate duplicates Z: 14 45.086 2.464 1.198 0.908 1.000 0.769 CA 1.640 14 residues pruned to eliminate duplicates Z: 23 50.609 2.397 1.130 0.694 1.000 0.773 CB 1.770 24 residues pruned to eliminate duplicates Z: 15 38.293 2.339 1.097 0.883 0.929 0.643 CA 1.624 15 residues pruned to eliminate duplicates Z: 23 40.499 2.401 0.999 0.688 0.864 0.636 CB 1.753 23 residues pruned to eliminate duplicates Z: 101 74.837 2.344 1.047 0.556 0.910 0.540 CB 1.623 124 residues pruned to eliminate duplicates Z: 40 51.268 2.383 0.994 0.580 0.897 0.590 CA 1.783 Z: 6 3.587 1.603 0.197 0.275 0.800 0.400 C 1.348 6 residues pruned to eliminate duplicates Z: 39 49.391 2.406 1.010 0.548 0.895 0.605 CB 1.767 39 residues pruned to eliminate duplicates Z: 55 45.986 2.273 0.885 0.548 0.889 0.630 CB 1.569 95 residues pruned to eliminate duplicates Z: 69 61.374 2.291 1.091 0.552 0.912 0.662 CB 1.619 69 residues pruned to eliminate duplicates Z: 23 45.039 2.407 1.080 0.677 0.955 0.727 CB 1.707 Z: 6 3.707 1.760 0.073 0.238 0.800 0.600 N 1.486 Z: 6 8.118 1.702 1.225 0.331 1.000 0.400 CA 1.154 Z: 6 6.925 1.725 1.268 0.351 0.800 0.600 CA 1.163 Z: 6 20.267 2.271 1.579 0.449 1.000 0.800 N 1.631 6 residues pruned to eliminate duplicates Z: 6 4.629 1.903 0.411 0.304 0.800 0.600 CA 1.199 Z: 6 4.760 2.152 0.637 0.180 0.600 0.200 N 1.481 Z: 6 8.382 1.954 0.938 0.359 1.000 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 9 6.283 1.538 0.748 0.376 0.750 0.250 CB 1.257 7 residues pruned to eliminate duplicates Z: 8 6.433 1.995 0.928 0.219 0.714 0.429 CA 1.232 8 residues pruned to eliminate duplicates Z: 26 21.791 2.293 0.747 0.357 0.800 0.600 CB 1.587 8 residues pruned to eliminate duplicates Z: 8 8.024 1.496 1.502 0.396 1.000 0.429 CB 0.904 8 residues pruned to eliminate duplicates Z: 20 15.553 2.226 0.770 0.367 0.737 0.474 CB 1.418 18 residues pruned to eliminate duplicates Z: 7 11.545 1.772 0.772 0.495 1.000 0.833 CB 1.508 7 residues pruned to eliminate duplicates Z: 18 15.366 2.095 0.523 0.427 0.824 0.588 CB 1.530 18 residues pruned to eliminate duplicates Z: 23 20.716 2.217 0.823 0.352 0.864 0.455 CB 1.486 23 residues pruned to eliminate duplicates Z: 62 42.920 2.325 0.803 0.499 0.836 0.607 CB 1.571 22 residues pruned to eliminate duplicates Z: 8 5.472 1.796 0.273 0.587 0.857 0.429 CB 0.971 8 residues pruned to eliminate duplicates Z: 17 14.842 2.136 0.583 0.419 0.812 0.438 CB 1.469 17 residues pruned to eliminate duplicates Z: 19 14.760 2.162 0.686 0.331 0.722 0.444 CB 1.589 19 residues pruned to eliminate duplicates Z: 85 55.656 2.301 0.889 0.495 0.857 0.488 CB 1.637 153 residues pruned to eliminate duplicates Z: 38 38.095 2.331 0.785 0.580 0.865 0.622 CA 1.611 6 residues pruned to eliminate duplicates Z: 8 2.923 1.982 0.129 0.283 0.571 0.143 CA 1.104 8 residues pruned to eliminate duplicates Z: 30 30.474 2.272 0.777 0.509 0.897 0.586 CB 1.549 20 residues pruned to eliminate duplicates Z: 9 6.333 1.774 0.430 0.402 0.875 0.125 CB 1.118 9 residues pruned to eliminate duplicates Z: 34 17.088 2.126 0.739 0.255 0.727 0.455 CB 1.465 34 residues pruned to eliminate duplicates Z: 34 24.543 2.261 0.651 0.439 0.879 0.455 CB 1.386 34 residues pruned to eliminate duplicates Z: 53 47.108 2.366 0.892 0.484 0.923 0.615 CB 1.607 38 residues pruned to eliminate duplicates Z: 9 22.174 2.370 0.567 0.917 1.000 1.000 CA 1.490 9 residues pruned to eliminate duplicates Z: 47 38.757 2.362 0.650 0.508 0.891 0.674 CB 1.632 47 residues pruned to eliminate duplicates Z: 14 24.751 2.340 0.724 0.633 0.923 0.769 CA 1.626 14 residues pruned to eliminate duplicates Z: 17 23.098 2.208 0.682 0.572 0.938 0.750 CA 1.548 17 residues pruned to eliminate duplicates Z: 33 25.938 2.233 0.636 0.443 0.812 0.469 CB 1.638 33 residues pruned to eliminate duplicates Z: 17 22.521 2.393 0.467 0.569 0.938 0.562 CB 1.600 17 residues pruned to eliminate duplicates Z: 29 36.258 2.330 0.763 0.595 0.893 0.750 CB 1.706 29 residues pruned to eliminate duplicates Z: 30 40.923 2.344 0.962 0.601 0.931 0.621 CB 1.613 30 residues pruned to eliminate duplicates Z: 29 39.386 2.389 0.966 0.633 0.893 0.714 CB 1.567 29 residues pruned to eliminate duplicates Z: 61 50.091 2.338 0.901 0.497 0.917 0.567 CB 1.591 79 residues pruned to eliminate duplicates Z: 43 41.871 2.350 0.895 0.522 0.905 0.667 CB 1.569 44 residues pruned to eliminate duplicates Z: 19 34.947 2.151 1.136 0.694 0.944 0.722 CA 1.590 19 residues pruned to eliminate duplicates Z: 30 35.364 2.375 0.856 0.573 0.897 0.552 CB 1.548 30 residues pruned to eliminate duplicates Z: 14 33.600 2.420 1.017 0.751 0.923 0.769 CB 1.654 14 residues pruned to eliminate duplicates Z: 51 34.416 2.283 0.831 0.375 0.840 0.540 CB 1.584 51 residues pruned to eliminate duplicates Z: 46 43.728 2.342 0.897 0.502 0.889 0.667 CB 1.648 46 residues pruned to eliminate duplicates Z: 13 46.010 2.402 1.368 0.849 1.000 0.583 CB 1.731 13 residues pruned to eliminate duplicates Z: 13 38.929 2.459 1.381 0.778 0.917 0.500 CB 1.639 13 residues pruned to eliminate duplicates Z: 28 41.153 2.423 1.168 0.532 0.889 0.667 CB 1.643 28 residues pruned to eliminate duplicates Z: 39 41.635 2.292 1.234 0.500 0.868 0.605 CB 1.519 39 residues pruned to eliminate duplicates Z: 27 43.751 2.423 1.187 0.537 0.923 0.692 CB 1.691 27 residues pruned to eliminate duplicates Z: 12 36.655 2.364 1.417 0.842 0.909 0.364 CB 1.586 12 residues pruned to eliminate duplicates Z: 30 39.816 2.387 1.081 0.514 0.931 0.448 CB 1.576 30 residues pruned to eliminate duplicates Z: 6 4.843 1.812 0.545 0.248 0.800 0.600 CA 1.292 6 residues pruned to eliminate duplicates Z: 29 40.612 2.433 1.147 0.493 0.857 0.429 CB 1.726 30 residues pruned to eliminate duplicates Z: 8 6.467 1.728 1.222 0.353 0.714 0.429 N 1.045 8 residues pruned to eliminate duplicates Z: 28 33.757 2.368 0.937 0.429 0.889 0.556 CB 1.715 28 residues pruned to eliminate duplicates Z: 41 28.681 2.237 0.767 0.429 0.750 0.525 CB 1.647 41 residues pruned to eliminate duplicates Z: 20 19.327 2.155 0.711 0.347 0.895 0.579 CB 1.586 20 residues pruned to eliminate duplicates Z: 61 37.376 2.253 0.864 0.408 0.833 0.433 CB 1.518 60 residues pruned to eliminate duplicates Z: 9 6.866 1.413 0.750 0.493 1.000 0.750 O 0.989 9 residues pruned to eliminate duplicates 6 1.628 1.132 0.443 0.343 0.800 0.400 CA 0.661 ? Z: 6 2.915 1.585 1.020 0.302 0.600 0.400 CB 0.847 6 residues pruned to eliminate duplicates Z: 19 21.841 2.209 1.122 0.412 0.833 0.556 CB 1.445 19 residues pruned to eliminate duplicates Z: 40 28.588 2.145 0.793 0.495 0.846 0.641 CB 1.414 40 residues pruned to eliminate duplicates Z: 40 29.409 2.152 0.977 0.439 0.846 0.487 CB 1.394 40 residues pruned to eliminate duplicates Z: 11 16.922 1.985 0.971 0.470 1.000 0.800 CA 1.410 10 residues pruned to eliminate duplicates Z: 7 6.173 1.506 1.066 0.412 0.833 0.667 CB 1.066 Z: 6 5.894 1.540 1.173 0.274 0.800 0.400 N 1.271 6 residues pruned to eliminate duplicates Z: 39 34.870 2.181 0.940 0.511 0.895 0.579 CB 1.478 46 residues pruned to eliminate duplicates Z: 68 62.927 2.388 1.045 0.526 0.881 0.567 CB 1.742 68 residues pruned to eliminate duplicates Z: 28 27.438 2.205 0.959 0.447 0.889 0.481 CB 1.452 28 residues pruned to eliminate duplicates Z: 22 23.396 2.271 0.914 0.522 0.714 0.571 CB 1.609 22 residues pruned to eliminate duplicates Z: 41 29.890 2.169 0.712 0.451 0.900 0.525 CB 1.488 41 residues pruned to eliminate duplicates Z: 41 28.170 2.096 0.794 0.422 0.825 0.600 CB 1.559 41 residues pruned to eliminate duplicates Z: 40 31.176 2.132 0.907 0.426 0.923 0.513 CB 1.437 40 residues pruned to eliminate duplicates Z: 44 33.877 2.236 0.816 0.431 0.860 0.512 CB 1.589 44 residues pruned to eliminate duplicates Z: 25 32.375 2.258 1.061 0.458 0.917 0.625 CB 1.616 25 residues pruned to eliminate duplicates Z: 41 37.525 2.164 1.022 0.502 0.900 0.550 CB 1.504 40 residues pruned to eliminate duplicates Z: 7 5.436 1.816 0.785 0.392 0.833 0.500 CA 0.921 7 residues pruned to eliminate duplicates Z: 36 35.013 2.186 0.934 0.500 0.914 0.543 CB 1.532 36 residues pruned to eliminate duplicates Z: 27 23.808 2.180 0.836 0.435 0.808 0.538 CB 1.545 27 residues pruned to eliminate duplicates Z: 32 23.516 2.199 0.831 0.403 0.806 0.387 CB 1.441 32 residues pruned to eliminate duplicates Z: 25 28.150 2.308 0.933 0.435 0.917 0.500 CB 1.503 25 residues pruned to eliminate duplicates Z: 90 67.742 2.344 0.981 0.511 0.899 0.629 CB 1.701 90 residues pruned to eliminate duplicates Z: 22 25.278 2.231 0.948 0.434 0.857 0.619 CA 1.585 22 residues pruned to eliminate duplicates Z: 40 31.266 2.163 0.903 0.442 0.872 0.538 CB 1.481 40 residues pruned to eliminate duplicates Z: 88 70.030 2.403 0.991 0.515 0.908 0.609 CB 1.703 88 residues pruned to eliminate duplicates Z: 41 35.208 2.253 0.909 0.490 0.850 0.550 CB 1.539 41 residues pruned to eliminate duplicates Z: 15 16.406 2.094 0.815 0.543 0.857 0.500 CA 1.290 15 residues pruned to eliminate duplicates Z: 30 23.137 2.234 0.704 0.408 0.793 0.448 CB 1.568 30 residues pruned to eliminate duplicates Z: 39 33.560 2.130 0.954 0.505 0.895 0.658 CB 1.453 39 residues pruned to eliminate duplicates Z: 64 57.758 2.430 1.027 0.516 0.825 0.508 CB 1.763 64 residues pruned to eliminate duplicates Z: 25 20.091 2.096 0.882 0.384 0.833 0.542 CB 1.412 25 residues pruned to eliminate duplicates Z: 66 57.821 2.380 0.870 0.532 0.892 0.554 CB 1.750 66 residues pruned to eliminate duplicates Z: 57 56.987 2.448 0.933 0.495 0.893 0.536 CB 1.811 57 residues pruned to eliminate duplicates Z: 75 52.848 2.399 0.930 0.439 0.838 0.527 CB 1.687 75 residues pruned to eliminate duplicates Z: 64 56.107 2.374 0.957 0.511 0.873 0.603 CB 1.724 64 residues pruned to eliminate duplicates Z: 43 60.467 2.517 1.161 0.555 0.905 0.548 CB 1.797 43 residues pruned to eliminate duplicates Z: 49 55.992 2.392 1.077 0.470 0.938 0.604 CB 1.789 49 residues pruned to eliminate duplicates Z: 48 53.725 2.441 0.934 0.502 0.894 0.574 CA 1.853 48 residues pruned to eliminate duplicates Z: 57 54.360 2.387 0.949 0.517 0.875 0.571 CB 1.755 57 residues pruned to eliminate duplicates Z: 60 58.222 2.391 0.926 0.556 0.898 0.610 CB 1.736 60 residues pruned to eliminate duplicates Z: 51 44.727 2.371 0.838 0.471 0.880 0.520 CB 1.698 51 residues pruned to eliminate duplicates Z: 91 61.977 2.346 0.861 0.504 0.889 0.522 CB 1.677 91 residues pruned to eliminate duplicates Z: 58 63.748 2.446 1.031 0.562 0.877 0.509 CB 1.825 58 residues pruned to eliminate duplicates Z: 93 59.893 2.311 0.948 0.491 0.848 0.543 CB 1.650 93 residues pruned to eliminate duplicates Z: 41 48.489 2.356 0.998 0.510 0.950 0.500 CB 1.697 41 residues pruned to eliminate duplicates Z: 54 58.471 2.467 1.039 0.539 0.849 0.509 CB 1.810 54 residues pruned to eliminate duplicates Z: 58 57.800 2.366 1.052 0.487 0.930 0.474 CB 1.717 58 residues pruned to eliminate duplicates Z: 37 69.137 2.555 1.292 0.582 0.944 0.639 CB 1.925 37 residues pruned to eliminate duplicates Z: 60 59.255 2.371 1.004 0.561 0.864 0.475 CB 1.771 60 residues pruned to eliminate duplicates Z: 78 61.809 2.325 0.896 0.498 0.922 0.506 CB 1.736 78 residues pruned to eliminate duplicates Z: 126 73.011 2.283 0.962 0.505 0.888 0.528 CB 1.634 126 residues pruned to eliminate duplicates Z: 46 58.359 2.423 1.057 0.525 0.933 0.533 CB 1.825 46 residues pruned to eliminate duplicates Z: 38 53.781 2.433 1.259 0.507 0.892 0.541 CA 1.791 38 residues pruned to eliminate duplicates Z: 39 54.866 2.458 1.143 0.530 0.895 0.500 CA 1.833 39 residues pruned to eliminate duplicates Z: 65 65.659 2.404 1.063 0.539 0.891 0.578 CB 1.789 65 residues pruned to eliminate duplicates Z: 65 72.719 2.385 1.076 0.562 0.969 0.531 CB 1.785 65 residues pruned to eliminate duplicates Z: 84 71.190 2.403 1.028 0.524 0.892 0.542 CB 1.756 84 residues pruned to eliminate duplicates Z: 79 68.922 2.423 1.003 0.496 0.897 0.577 CB 1.799 79 residues pruned to eliminate duplicates Z: 38 38.059 2.348 0.789 0.480 0.892 0.622 CB 1.703 38 residues pruned to eliminate duplicates Z: 35 40.479 2.334 0.971 0.501 0.853 0.676 CA 1.767 35 residues pruned to eliminate duplicates Z: 37 49.477 2.411 1.116 0.499 0.972 0.556 CB 1.665 37 residues pruned to eliminate duplicates Z: 60 60.614 2.380 0.958 0.535 0.915 0.576 CB 1.787 60 residues pruned to eliminate duplicates Z: 31 21.091 2.229 0.969 0.311 0.767 0.433 CB 1.411 31 residues pruned to eliminate duplicates Z: 56 64.798 2.450 1.001 0.548 0.945 0.418 CB 1.798 56 residues pruned to eliminate duplicates Z: 66 75.074 2.403 1.106 0.549 0.985 0.569 CB 1.780 66 residues pruned to eliminate duplicates Z: 31 39.905 2.391 0.975 0.456 0.900 0.600 CB 1.793 31 residues pruned to eliminate duplicates Z: 59 64.372 2.420 0.986 0.553 0.948 0.569 CB 1.762 59 residues pruned to eliminate duplicates Z: 90 69.619 2.362 0.944 0.500 0.910 0.607 CB 1.767 90 residues pruned to eliminate duplicates Z: 68 62.068 2.364 0.954 0.503 0.925 0.507 CB 1.769 68 residues pruned to eliminate duplicates Z: 90 67.127 2.279 0.948 0.494 0.933 0.528 CB 1.729 90 residues pruned to eliminate duplicates Z: 84 56.916 2.283 1.004 0.464 0.831 0.470 CB 1.704 84 residues pruned to eliminate duplicates Z: 84 59.333 2.316 0.958 0.480 0.904 0.578 CB 1.621 84 residues pruned to eliminate duplicates Z: 57 62.573 2.399 1.053 0.550 0.893 0.518 CB 1.811 57 residues pruned to eliminate duplicates Z: 85 62.770 2.314 0.918 0.489 0.893 0.512 CB 1.748 85 residues pruned to eliminate duplicates Z: 82 67.753 2.384 1.017 0.519 0.889 0.444 CB 1.729 82 residues pruned to eliminate duplicates Z: 60 65.589 2.452 1.015 0.546 0.915 0.508 CB 1.805 60 residues pruned to eliminate duplicates Z: 67 64.658 2.402 0.963 0.528 0.939 0.606 CB 1.748 67 residues pruned to eliminate duplicates Z: 109 73.291 2.257 0.979 0.529 0.917 0.565 CB 1.674 109 residues pruned to eliminate duplicates Z: 65 68.443 2.371 1.047 0.565 0.938 0.547 CB 1.766 65 residues pruned to eliminate duplicates Z: 59 58.089 2.407 0.955 0.538 0.862 0.500 CB 1.811 59 residues pruned to eliminate duplicates Z: 87 74.130 2.401 1.039 0.514 0.919 0.477 CB 1.753 87 residues pruned to eliminate duplicates Z: 98 68.696 2.348 0.917 0.514 0.887 0.567 CB 1.723 98 residues pruned to eliminate duplicates Z: 102 72.508 2.323 1.019 0.490 0.921 0.505 CB 1.688 102 residues pruned to eliminate duplicates Z: 68 61.837 2.374 0.896 0.509 0.955 0.597 CB 1.740 68 residues pruned to eliminate duplicates Z: 84 55.816 2.245 1.086 0.461 0.855 0.506 CB 1.592 84 residues pruned to eliminate duplicates Z: 90 62.708 2.329 0.938 0.496 0.876 0.596 CB 1.687 90 residues pruned to eliminate duplicates Z: 60 65.447 2.408 1.035 0.549 0.932 0.559 CB 1.778 60 residues pruned to eliminate duplicates Z: 67 66.266 2.403 1.054 0.518 0.924 0.515 CB 1.756 67 residues pruned to eliminate duplicates Z: 66 68.847 2.389 1.088 0.540 0.954 0.692 CB 1.726 66 residues pruned to eliminate duplicates Z: 85 71.282 2.409 1.044 0.512 0.929 0.571 CB 1.681 85 residues pruned to eliminate duplicates Z: 67 69.718 2.383 1.037 0.536 0.939 0.530 CB 1.817 67 residues pruned to eliminate duplicates Z: 49 44.151 2.222 1.062 0.480 0.896 0.500 CB 1.584 49 residues pruned to eliminate duplicates Z: 110 76.569 2.303 0.990 0.541 0.917 0.578 CB 1.675 110 residues pruned to eliminate duplicates Z: 24 14.547 1.973 0.371 0.380 0.826 0.391 CB 1.542 24 residues pruned to eliminate duplicates Z: 24 18.629 2.044 0.742 0.416 0.783 0.391 CB 1.522 24 residues pruned to eliminate duplicates Z: 17 21.130 2.119 0.803 0.547 0.875 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 17 19.385 2.074 0.722 0.532 0.875 0.625 CB 1.503 17 residues pruned to eliminate duplicates Z: 24 26.315 2.064 0.718 0.601 0.957 0.478 CB 1.468 24 residues pruned to eliminate duplicates Z: 93 69.242 2.275 1.087 0.530 0.870 0.478 CB 1.698 93 residues pruned to eliminate duplicates Z: 27 26.981 2.097 0.855 0.544 0.885 0.538 CB 1.473 27 residues pruned to eliminate duplicates Z: 23 27.440 2.190 0.884 0.641 0.864 0.591 CB 1.440 23 residues pruned to eliminate duplicates Z: 25 32.328 2.030 1.059 0.657 0.958 0.750 CB 1.423 25 residues pruned to eliminate duplicates Z: 25 30.380 2.070 0.939 0.582 0.875 0.500 CB 1.631 25 residues pruned to eliminate duplicates Z: 28 30.532 2.157 1.015 0.602 0.852 0.704 CB 1.439 28 residues pruned to eliminate duplicates Z: 23 32.418 2.147 1.012 0.672 0.909 0.773 CB 1.501 23 residues pruned to eliminate duplicates Z: 108 76.666 2.296 1.032 0.536 0.897 0.551 CB 1.709 108 residues pruned to eliminate duplicates Z: 23 33.154 2.155 1.105 0.663 0.909 0.636 CB 1.474 23 residues pruned to eliminate duplicates Z: 21 31.325 2.164 1.105 0.629 0.900 0.500 CB 1.513 21 residues pruned to eliminate duplicates Z: 29 33.106 2.150 0.824 0.576 0.964 0.571 CB 1.537 29 residues pruned to eliminate duplicates Z: 31 26.219 2.051 0.656 0.534 0.933 0.633 CB 1.461 31 residues pruned to eliminate duplicates Z: 54 44.608 2.168 0.948 0.527 0.849 0.604 CB 1.664 54 residues pruned to eliminate duplicates Z: 60 38.252 2.152 0.739 0.542 0.864 0.627 CB 1.478 60 residues pruned to eliminate duplicates Z: 28 28.242 2.125 0.692 0.599 0.926 0.667 CB 1.486 28 residues pruned to eliminate duplicates Z: 21 26.500 2.149 0.715 0.482 0.950 0.550 CB 1.724 21 residues pruned to eliminate duplicates Z: 8 3.587 1.974 -0.148 0.305 0.714 0.286 CB 1.403 8 residues pruned to eliminate duplicates Z: 49 41.412 2.187 0.832 0.557 0.896 0.604 CB 1.575 49 residues pruned to eliminate duplicates Z: 41 30.993 2.096 0.715 0.560 0.850 0.600 CB 1.512 41 residues pruned to eliminate duplicates Z: 24 24.692 2.176 0.680 0.525 0.870 0.478 CB 1.581 24 residues pruned to eliminate duplicates Z: 25 28.659 2.157 0.699 0.492 0.958 0.417 CB 1.679 25 residues pruned to eliminate duplicates Z: 28 22.027 2.090 0.575 0.467 0.852 0.519 CB 1.562 28 residues pruned to eliminate duplicates Z: 28 22.714 2.144 0.533 0.497 0.889 0.481 CB 1.501 28 residues pruned to eliminate duplicates Z: 18 14.720 2.066 0.528 0.457 0.765 0.471 CB 1.546 18 residues pruned to eliminate duplicates Z: 44 37.991 2.152 0.811 0.550 0.907 0.395 CB 1.561 44 residues pruned to eliminate duplicates Z: 16 14.630 2.141 0.571 0.408 0.800 0.400 CB 1.547 16 residues pruned to eliminate duplicates Z: 26 21.343 2.195 0.523 0.451 0.840 0.440 CB 1.598 26 residues pruned to eliminate duplicates Z: 18 22.937 2.123 0.919 0.505 0.882 0.471 CB 1.540 18 residues pruned to eliminate duplicates Z: 40 38.864 2.140 0.706 0.586 0.974 0.641 CA 1.610 40 residues pruned to eliminate duplicates Z: 49 40.107 2.192 0.778 0.561 0.896 0.625 CB 1.562 49 residues pruned to eliminate duplicates Z: 9 3.214 2.166 0.370 0.210 0.500 0.125 CB 1.079 9 residues pruned to eliminate duplicates Z: 49 30.175 2.128 0.640 0.487 0.833 0.521 CB 1.518 49 residues pruned to eliminate duplicates Z: 11 10.338 2.230 0.327 0.391 0.900 0.600 CB 1.378 11 residues pruned to eliminate duplicates Z: 27 23.072 2.167 0.580 0.451 0.885 0.538 CB 1.570 27 residues pruned to eliminate duplicates Z: 10 12.452 2.272 0.583 0.440 0.778 0.667 CB 1.580 10 residues pruned to eliminate duplicates Z: 9 14.453 2.313 0.587 0.473 0.875 0.750 CB 1.634 9 residues pruned to eliminate duplicates Z: 10 18.392 2.206 0.829 0.403 1.000 0.556 CB 1.683 10 residues pruned to eliminate duplicates Z: 48 36.709 2.139 0.763 0.538 0.894 0.553 CB 1.531 48 residues pruned to eliminate duplicates Z: 27 24.514 2.182 0.690 0.434 0.923 0.500 CB 1.513 27 residues pruned to eliminate duplicates Z: 36 27.719 2.075 0.859 0.469 0.857 0.571 CB 1.462 35 residues pruned to eliminate duplicates Z: 6 6.597 1.559 0.216 0.762 1.000 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 15 14.202 1.994 0.977 0.505 0.857 0.571 CB 1.118 15 residues pruned to eliminate duplicates Z: 7 7.168 1.471 1.049 0.488 1.000 0.500 CB 0.983 Z: 8 4.793 1.760 -0.125 0.457 0.857 0.286 CA 1.435 Z: 12 26.606 2.036 1.190 0.688 0.909 0.364 N 1.665 Z: 13 31.725 2.129 1.068 0.746 1.000 0.750 CB 1.669 12 residues pruned to eliminate duplicates Z: 11 19.014 2.028 0.665 0.864 1.000 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 14 23.028 2.202 0.888 0.556 0.846 0.385 CB 1.718 14 residues pruned to eliminate duplicates Z: 17 21.613 2.153 0.828 0.526 0.938 0.500 CB 1.428 17 residues pruned to eliminate duplicates Z: 13 20.187 1.809 1.105 0.821 0.917 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 14 23.934 2.206 0.952 0.601 0.769 0.385 CB 1.821 14 residues pruned to eliminate duplicates Z: 28 35.253 2.196 0.924 0.653 0.926 0.556 CB 1.504 14 residues pruned to eliminate duplicates Z: 12 27.774 1.912 1.408 0.862 1.000 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 45 34.057 2.180 0.755 0.479 0.886 0.591 CB 1.547 38 residues pruned to eliminate duplicates Z: 11 21.718 2.097 1.186 0.909 0.900 0.500 CB 1.181 11 residues pruned to eliminate duplicates Z: 34 28.766 2.133 0.939 0.523 0.848 0.545 CB 1.395 34 residues pruned to eliminate duplicates Z: 25 34.179 2.229 0.949 0.663 0.917 0.667 CB 1.506 25 residues pruned to eliminate duplicates Z: 26 34.597 2.242 0.945 0.623 0.880 0.560 CB 1.606 26 residues pruned to eliminate duplicates Z: 26 36.282 2.191 1.104 0.610 0.920 0.520 CB 1.542 26 residues pruned to eliminate duplicates Z: 25 34.070 2.206 1.140 0.590 0.875 0.333 CB 1.544 25 residues pruned to eliminate duplicates Z: 16 24.836 2.141 1.118 0.652 0.867 0.533 CB 1.416 16 residues pruned to eliminate duplicates Z: 15 26.583 2.188 1.017 0.701 0.929 0.571 CB 1.443 15 residues pruned to eliminate duplicates Z: 28 30.182 2.085 0.946 0.510 0.852 0.444 CB 1.664 28 residues pruned to eliminate duplicates Z: 21 26.846 2.118 1.293 0.539 0.800 0.550 CB 1.487 21 residues pruned to eliminate duplicates Z: 29 30.540 2.150 0.910 0.591 0.964 0.536 CB 1.336 29 residues pruned to eliminate duplicates Z: 28 25.394 2.147 0.999 0.491 0.889 0.481 CB 1.294 28 residues pruned to eliminate duplicates Z: 32 26.602 2.184 0.865 0.506 0.871 0.516 CB 1.339 32 residues pruned to eliminate duplicates Z: 41 32.029 2.177 0.806 0.499 0.875 0.500 CB 1.473 40 residues pruned to eliminate duplicates Z: 13 30.824 2.102 1.379 0.857 1.000 0.250 CB 1.311 13 residues pruned to eliminate duplicates Z: 40 33.119 2.245 0.838 0.493 0.846 0.462 CB 1.531 40 residues pruned to eliminate duplicates Z: 6 6.023 2.042 0.411 0.358 0.800 0.400 CA 1.361 6 residues pruned to eliminate duplicates Z: 11 12.866 2.133 0.440 0.316 0.900 0.700 CB 1.803 11 residues pruned to eliminate duplicates Z: 33 18.179 2.014 0.669 0.311 0.844 0.344 CB 1.397 33 residues pruned to eliminate duplicates Z: 55 20.596 2.061 0.585 0.326 0.815 0.426 CB 1.274 55 residues pruned to eliminate duplicates Z: 16 9.579 2.116 0.403 0.234 0.800 0.333 CB 1.420 16 residues pruned to eliminate duplicates Z: 17 11.886 2.119 0.574 0.248 0.812 0.438 CB 1.466 18 residues pruned to eliminate duplicates Z: 6 4.667 1.700 0.364 0.412 1.000 0.400 CA 0.987 Z: 7 8.003 1.945 0.562 0.459 0.833 0.667 CB 1.346 Z: 7 7.528 1.817 0.728 0.389 0.833 0.667 CA 1.321 Z: 6 10.375 1.886 0.979 0.362 1.000 0.400 CA 1.442 5 residues pruned to eliminate duplicates Z: 6 6.790 1.717 0.549 0.438 1.000 0.600 CA 1.216 5 residues pruned to eliminate duplicates Z: 7 5.756 1.783 0.976 0.520 0.833 0.667 CA 0.784 7 residues pruned to eliminate duplicates Z: 19 11.633 2.212 0.484 0.347 0.833 0.389 CB 1.183 25 residues pruned to eliminate duplicates Z: 6 7.144 1.881 0.938 0.411 0.800 0.200 CA 1.203 Z: 6 2.883 1.592 0.566 0.394 0.600 0.200 CB 0.965 6 residues pruned to eliminate duplicates Z: 27 26.592 2.149 1.054 0.432 0.846 0.500 CB 1.499 12 residues pruned to eliminate duplicates Z: 7 9.283 1.853 0.894 0.433 1.000 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 25 28.236 2.262 1.089 0.361 0.833 0.583 CB 1.701 20 residues pruned to eliminate duplicates Z: 6 8.133 1.725 1.157 0.370 1.000 1.000 CA 1.123 6 residues pruned to eliminate duplicates Z: 25 30.728 2.212 0.955 0.522 0.917 0.500 CB 1.548 25 residues pruned to eliminate duplicates Z: 37 25.157 2.244 0.875 0.367 0.750 0.444 CB 1.533 31 residues pruned to eliminate duplicates Z: 6 9.053 1.796 0.979 0.356 1.000 0.400 CA 1.331 6 residues pruned to eliminate duplicates Z: 26 28.572 2.223 0.835 0.461 0.920 0.560 CB 1.584 36 residues pruned to eliminate duplicates Z: 7 2.420 1.720 0.514 0.245 0.833 0.500 CB 0.611 7 residues pruned to eliminate duplicates Z: 14 11.629 1.943 0.509 0.332 0.846 0.538 CB 1.563 14 residues pruned to eliminate duplicates Z: 25 34.089 2.112 1.061 0.507 0.958 0.667 CA 1.657 25 residues pruned to eliminate duplicates Z: 6 3.166 1.824 0.618 0.100 0.600 0.200 CA 1.333 6 residues pruned to eliminate duplicates Z: 25 30.084 2.367 0.920 0.422 0.833 0.542 CB 1.759 25 residues pruned to eliminate duplicates Z: 22 31.140 2.275 1.029 0.499 0.857 0.571 CA 1.720 22 residues pruned to eliminate duplicates Z: 6 4.054 1.738 0.555 0.332 0.800 0.400 CA 1.008 6 residues pruned to eliminate duplicates Z: 51 38.145 2.296 0.813 0.446 0.820 0.520 CB 1.671 26 residues pruned to eliminate duplicates Z: 18 34.199 2.382 0.868 0.743 0.882 0.647 CB 1.699 18 residues pruned to eliminate duplicates Z: 94 61.850 2.317 0.913 0.483 0.871 0.634 CB 1.689 33 residues pruned to eliminate duplicates Z: 18 36.654 2.241 0.879 0.853 0.882 0.824 CA 1.768 18 residues pruned to eliminate duplicates Z: 46 42.468 2.389 0.776 0.476 0.911 0.578 CB 1.678 46 residues pruned to eliminate duplicates Z: 75 52.898 2.356 0.840 0.482 0.865 0.486 CB 1.670 75 residues pruned to eliminate duplicates Z: 39 48.121 2.360 0.985 0.529 0.947 0.500 CB 1.709 39 residues pruned to eliminate duplicates Z: 101 62.362 2.342 0.941 0.475 0.850 0.480 CB 1.654 101 residues pruned to eliminate duplicates Z: 39 48.254 2.372 0.938 0.524 0.947 0.579 CB 1.755 39 residues pruned to eliminate duplicates Z: 78 54.005 2.368 0.887 0.477 0.870 0.571 CB 1.621 78 residues pruned to eliminate duplicates Z: 70 58.795 2.387 0.994 0.508 0.870 0.594 CB 1.697 70 residues pruned to eliminate duplicates Z: 45 52.325 2.356 1.140 0.533 0.955 0.591 CB 1.586 45 residues pruned to eliminate duplicates Z: 49 48.772 2.380 0.979 0.488 0.896 0.500 CB 1.690 49 residues pruned to eliminate duplicates Z: 79 67.092 2.372 1.117 0.488 0.897 0.538 CB 1.707 89 residues pruned to eliminate duplicates Z: 17 51.445 2.337 1.251 0.889 1.000 0.500 CA 1.760 17 residues pruned to eliminate duplicates Z: 50 51.015 2.288 0.973 0.505 0.918 0.612 CA 1.749 50 residues pruned to eliminate duplicates Z: 39 52.300 2.379 1.128 0.537 0.895 0.553 CA 1.807 39 residues pruned to eliminate duplicates Z: 46 45.074 2.396 0.988 0.482 0.867 0.467 CB 1.657 46 residues pruned to eliminate duplicates Z: 118 74.490 2.356 1.089 0.465 0.846 0.547 CB 1.714 230 residues pruned to eliminate duplicates Z: 6 17.216 2.212 1.266 0.585 1.000 0.400 CA 1.416 6 residues pruned to eliminate duplicates Z: 103 65.372 2.375 0.920 0.471 0.853 0.431 CB 1.714 103 residues pruned to eliminate duplicates Z: 66 61.375 2.378 1.082 0.520 0.892 0.446 CB 1.690 66 residues pruned to eliminate duplicates Z: 89 60.102 2.352 1.005 0.480 0.841 0.568 CB 1.649 89 residues pruned to eliminate duplicates Z: 61 49.159 2.287 1.020 0.458 0.917 0.450 CB 1.566 61 residues pruned to eliminate duplicates Z: 73 58.529 2.376 1.012 0.483 0.861 0.486 CB 1.705 72 residues pruned to eliminate duplicates Z: 78 59.935 2.314 1.103 0.466 0.870 0.455 CB 1.671 78 residues pruned to eliminate duplicates Z: 38 57.072 2.444 1.140 0.572 0.919 0.541 CB 1.821 38 residues pruned to eliminate duplicates Z: 23 31.749 2.380 1.062 0.374 0.864 0.545 CB 1.828 23 residues pruned to eliminate duplicates Z: 94 67.149 2.342 1.053 0.505 0.882 0.495 CB 1.634 94 residues pruned to eliminate duplicates Z: 37 54.888 2.452 1.134 0.526 0.944 0.444 CB 1.804 37 residues pruned to eliminate duplicates Z: 50 56.733 2.374 1.133 0.537 0.878 0.469 CB 1.759 50 residues pruned to eliminate duplicates Z: 68 63.023 2.378 1.053 0.517 0.866 0.463 CB 1.791 73 residues pruned to eliminate duplicates Z: 6 18.217 2.088 1.102 0.658 1.000 0.800 CA 1.603 6 residues pruned to eliminate duplicates Z: 54 56.139 2.362 1.063 0.516 0.906 0.434 CB 1.720 54 residues pruned to eliminate duplicates Z: 22 26.600 2.298 1.138 0.354 0.857 0.524 CA 1.614 22 residues pruned to eliminate duplicates Z: 55 56.907 2.338 1.161 0.491 0.907 0.556 CB 1.705 55 residues pruned to eliminate duplicates Z: 84 68.503 2.299 1.035 0.492 0.928 0.458 CB 1.747 84 residues pruned to eliminate duplicates Z: 69 56.578 2.329 0.978 0.535 0.868 0.500 CB 1.659 69 residues pruned to eliminate duplicates Z: 58 66.962 2.338 1.326 0.527 0.947 0.526 CB 1.676 75 residues pruned to eliminate duplicates Z: 32 28.873 2.214 0.837 0.420 0.806 0.452 CB 1.719 32 residues pruned to eliminate duplicates Z: 30 32.867 2.277 0.941 0.461 0.828 0.448 CA 1.737 30 residues pruned to eliminate duplicates Z: 93 62.043 2.313 0.999 0.476 0.837 0.413 CB 1.713 93 residues pruned to eliminate duplicates Z: 127 89.575 2.409 1.091 0.548 0.897 0.484 CB 1.685 166 residues pruned to eliminate duplicates Z: 90 77.934 2.370 1.050 0.550 0.899 0.539 CA 1.801 90 residues pruned to eliminate duplicates Z: 72 64.127 2.325 1.054 0.535 0.901 0.408 CB 1.708 72 residues pruned to eliminate duplicates Z: 93 71.568 2.346 1.062 0.514 0.902 0.489 CB 1.685 93 residues pruned to eliminate duplicates Z: 101 77.012 2.363 1.052 0.533 0.920 0.510 CB 1.671 101 residues pruned to eliminate duplicates Z: 72 58.315 2.317 0.999 0.494 0.887 0.423 CB 1.695 72 residues pruned to eliminate duplicates Z: 102 78.501 2.387 1.020 0.529 0.921 0.594 CB 1.710 89 residues pruned to eliminate duplicates Z: 11 18.262 2.070 0.880 0.533 0.900 0.600 CB 1.597 11 residues pruned to eliminate duplicates Z: 70 55.304 2.318 0.974 0.471 0.899 0.493 CB 1.667 70 residues pruned to eliminate duplicates Z: 69 62.147 2.339 1.056 0.512 0.926 0.426 CB 1.671 69 residues pruned to eliminate duplicates Z: 72 67.772 2.331 1.137 0.508 0.915 0.620 CA 1.749 72 residues pruned to eliminate duplicates Z: 67 48.757 2.193 1.079 0.463 0.833 0.515 CB 1.640 67 residues pruned to eliminate duplicates Z: 63 62.880 2.367 1.046 0.556 0.919 0.532 CB 1.698 63 residues pruned to eliminate duplicates Z: 50 61.282 2.387 1.009 0.605 0.959 0.612 CA 1.722 50 residues pruned to eliminate duplicates Z: 29 39.346 2.285 1.002 0.564 0.893 0.464 CA 1.711 29 residues pruned to eliminate duplicates Z: 95 73.894 2.382 1.015 0.539 0.926 0.574 CB 1.652 95 residues pruned to eliminate duplicates Z: 70 71.166 2.343 1.111 0.558 0.928 0.478 CA 1.764 70 residues pruned to eliminate duplicates Z: 107 83.452 2.390 1.040 0.526 0.925 0.604 CB 1.752 107 residues pruned to eliminate duplicates Z: 107 85.492 2.398 1.105 0.554 0.896 0.557 CB 1.741 107 residues pruned to eliminate duplicates Z: 125 83.275 2.364 1.076 0.533 0.903 0.565 CB 1.634 125 residues pruned to eliminate duplicates Z: 93 80.435 2.358 1.132 0.549 0.935 0.489 CB 1.701 93 residues pruned to eliminate duplicates Z: 48 38.117 2.294 0.903 0.475 0.809 0.447 CB 1.616 48 residues pruned to eliminate duplicates Z: 107 87.512 2.392 1.165 0.552 0.896 0.604 CB 1.742 107 residues pruned to eliminate duplicates Z: 76 64.071 2.373 1.078 0.510 0.893 0.613 CB 1.663 76 residues pruned to eliminate duplicates Z: 113 88.513 2.400 1.156 0.547 0.920 0.571 CB 1.678 113 residues pruned to eliminate duplicates Z: 112 88.677 2.384 1.152 0.548 0.919 0.586 CB 1.705 112 residues pruned to eliminate duplicates Z: 23 46.293 2.441 0.934 0.677 1.000 0.773 CB 1.776 23 residues pruned to eliminate duplicates Z: 110 77.884 2.351 1.062 0.519 0.881 0.578 CB 1.715 110 residues pruned to eliminate duplicates Z: 111 88.100 2.378 1.112 0.547 0.918 0.618 CB 1.739 111 residues pruned to eliminate duplicates Z: 68 72.661 2.390 1.124 0.567 0.940 0.627 CB 1.743 68 residues pruned to eliminate duplicates Z: 91 82.778 2.375 1.106 0.564 0.944 0.633 CB 1.736 91 residues pruned to eliminate duplicates Z: 25 44.194 2.335 1.173 0.624 0.917 0.750 CB 1.725 25 residues pruned to eliminate duplicates Z: 24 47.831 2.421 1.290 0.655 0.913 0.696 CB 1.706 24 residues pruned to eliminate duplicates Z: 125 86.595 2.379 1.067 0.528 0.919 0.605 CB 1.674 125 residues pruned to eliminate duplicates Z: 126 87.580 2.377 1.068 0.523 0.928 0.584 CB 1.678 126 residues pruned to eliminate duplicates Z: 84 63.084 2.340 0.958 0.498 0.892 0.554 CB 1.700 84 residues pruned to eliminate duplicates Z: 70 70.832 2.371 1.091 0.537 0.957 0.609 CB 1.734 70 residues pruned to eliminate duplicates Z: 96 76.669 2.369 1.063 0.553 0.926 0.537 CB 1.651 96 residues pruned to eliminate duplicates Z: 106 87.731 2.405 1.130 0.566 0.914 0.533 CB 1.714 106 residues pruned to eliminate duplicates Z: 125 85.703 2.380 1.067 0.533 0.895 0.516 CB 1.691 125 residues pruned to eliminate duplicates Z: 85 81.282 2.386 1.158 0.590 0.917 0.607 CB 1.724 85 residues pruned to eliminate duplicates Z: 108 92.038 2.360 1.200 0.559 0.925 0.579 CB 1.749 110 residues pruned to eliminate duplicates Z: 8 12.281 1.902 0.774 0.466 1.000 0.429 CB 1.424 8 residues pruned to eliminate duplicates Z: 31 26.156 2.157 0.836 0.503 0.767 0.500 CB 1.569 19 residues pruned to eliminate duplicates Z: 6 8.196 1.712 1.015 0.429 1.000 0.400 N 1.144 6 residues pruned to eliminate duplicates Z: 44 37.695 2.221 0.950 0.551 0.814 0.512 CB 1.552 44 residues pruned to eliminate duplicates Z: 26 24.767 2.154 0.802 0.477 0.840 0.400 CB 1.555 26 residues pruned to eliminate duplicates Z: 18 26.171 2.251 0.941 0.506 0.882 0.529 CB 1.636 18 residues pruned to eliminate duplicates Z: 22 18.192 2.093 0.917 0.449 0.762 0.429 CB 1.369 22 residues pruned to eliminate duplicates Z: 127 86.734 2.357 1.091 0.541 0.905 0.571 CB 1.665 127 residues pruned to eliminate duplicates Z: 20 23.109 2.030 0.914 0.534 0.947 0.579 CB 1.393 20 residues pruned to eliminate duplicates Z: 18 22.433 2.103 0.981 0.480 0.824 0.471 CB 1.618 18 residues pruned to eliminate duplicates Z: 61 48.821 2.356 0.850 0.496 0.883 0.550 CB 1.643 34 residues pruned to eliminate duplicates Z: 9 9.252 1.955 0.651 0.550 0.625 0.250 CB 1.545 9 residues pruned to eliminate duplicates Z: 46 44.222 2.448 0.808 0.508 0.911 0.622 CB 1.621 46 residues pruned to eliminate duplicates Z: 14 29.769 2.446 1.011 0.564 0.923 0.462 CA 1.709 14 residues pruned to eliminate duplicates Z: 44 46.611 2.476 0.992 0.520 0.884 0.581 CB 1.598 44 residues pruned to eliminate duplicates Z: 33 40.843 2.239 1.044 0.533 0.875 0.531 CA 1.746 33 residues pruned to eliminate duplicates Z: 49 39.235 2.393 0.808 0.494 0.875 0.479 CB 1.506 49 residues pruned to eliminate duplicates Z: 14 28.944 2.152 1.153 0.804 0.923 0.692 CA 1.439 14 residues pruned to eliminate duplicates Z: 45 52.836 2.463 0.945 0.527 0.977 0.659 CB 1.656 45 residues pruned to eliminate duplicates Z: 12 35.537 2.172 1.326 0.875 1.000 0.818 CB 1.542 12 residues pruned to eliminate duplicates Z: 45 45.065 2.460 0.871 0.481 0.909 0.568 CB 1.654 45 residues pruned to eliminate duplicates Z: 43 46.592 2.472 0.951 0.541 0.881 0.643 CB 1.625 43 residues pruned to eliminate duplicates Z: 14 32.795 2.380 1.088 0.630 0.923 0.462 CA 1.755 14 residues pruned to eliminate duplicates Z: 44 44.682 2.472 0.842 0.527 0.860 0.558 CB 1.694 44 residues pruned to eliminate duplicates Z: 34 36.878 2.360 0.896 0.591 0.818 0.606 CB 1.607 34 residues pruned to eliminate duplicates Z: 32 33.193 2.477 0.861 0.471 0.839 0.613 CB 1.589 32 residues pruned to eliminate duplicates Z: 44 42.437 2.425 0.874 0.472 0.884 0.558 CB 1.658 44 residues pruned to eliminate duplicates Z: 67 50.548 2.338 0.944 0.471 0.909 0.621 CB 1.551 66 residues pruned to eliminate duplicates Z: 14 29.347 2.299 0.840 0.872 0.923 0.692 CB 1.519 14 residues pruned to eliminate duplicates Z: 47 39.145 2.376 0.774 0.452 0.935 0.500 CB 1.540 47 residues pruned to eliminate duplicates Z: 44 51.851 2.469 1.028 0.492 0.907 0.512 CB 1.755 44 residues pruned to eliminate duplicates Z: 13 46.432 2.398 1.312 0.918 1.000 0.417 CA 1.705 13 residues pruned to eliminate duplicates Z: 29 53.256 2.471 1.389 0.622 0.857 0.571 CB 1.773 29 residues pruned to eliminate duplicates Z: 34 48.766 2.432 1.294 0.542 0.879 0.727 CB 1.662 34 residues pruned to eliminate duplicates Z: 46 49.713 2.459 1.002 0.524 0.933 0.511 CB 1.575 46 residues pruned to eliminate duplicates Z: 30 40.062 2.491 1.049 0.511 0.931 0.552 CB 1.548 30 residues pruned to eliminate duplicates Z: 34 38.986 2.413 1.077 0.496 0.848 0.545 CB 1.603 34 residues pruned to eliminate duplicates Z: 46 49.251 2.461 1.074 0.493 0.911 0.467 CB 1.589 46 residues pruned to eliminate duplicates Z: 26 16.563 2.319 0.463 0.238 0.840 0.520 CB 1.575 26 residues pruned to eliminate duplicates Z: 43 54.341 2.516 1.082 0.522 0.929 0.595 CB 1.686 43 residues pruned to eliminate duplicates Z: 43 45.366 2.429 0.867 0.505 0.905 0.619 CB 1.697 43 residues pruned to eliminate duplicates Z: 41 31.150 2.378 0.799 0.331 0.850 0.475 CB 1.630 41 residues pruned to eliminate duplicates Z: 45 53.907 2.488 1.064 0.525 0.955 0.568 CB 1.617 45 residues pruned to eliminate duplicates Z: 9 9.073 1.711 0.713 0.444 1.000 0.500 N 1.159 9 residues pruned to eliminate duplicates Z: 30 43.084 2.503 1.132 0.511 0.931 0.448 CB 1.594 30 residues pruned to eliminate duplicates Z: 6 5.848 1.831 0.611 0.491 0.800 0.000 CA 1.118 6 residues pruned to eliminate duplicates Z: 32 29.479 2.332 0.907 0.401 0.806 0.419 CB 1.640 32 residues pruned to eliminate duplicates Z: 46 46.014 2.472 0.963 0.505 0.911 0.600 CB 1.544 46 residues pruned to eliminate duplicates Z: 46 50.143 2.457 1.067 0.532 0.911 0.511 CB 1.565 46 residues pruned to eliminate duplicates Z: 25 13.515 2.297 0.324 0.281 0.833 0.292 CB 1.393 25 residues pruned to eliminate duplicates Z: 7 6.115 1.531 0.682 0.420 1.000 0.833 CA 1.053 7 residues pruned to eliminate duplicates Z: 40 39.488 2.401 0.985 0.427 0.949 0.410 CB 1.508 40 residues pruned to eliminate duplicates Z: 6 6.782 1.597 0.548 0.471 1.000 0.800 CA 1.264 6 residues pruned to eliminate duplicates 668 residues left after pruning, divided into chains as follows: A: 8 B: 10 C: 7 D: 6 E: 7 F: 7 G: 7 H: 8 I: 8 J: 258 K: 20 L: 61 M: 42 N: 219 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.67 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.738, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.868, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 1.029, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 1.060, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 1.084, Connect. = 0.792 for dens.mod. cycle 5 = 0.300, Contrast = 1.093, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 1.101, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 1.103, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 1.105, Connect. = 0.798 for dens.mod. cycle 9 = 0.300, Contrast = 1.103, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5395 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1058 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 44.987 2.462 1.008 0.881 0.933 0.800 CA 1.823 B: 17 35.829 2.228 0.948 0.893 0.875 0.812 CB 1.694 16 residues pruned to eliminate duplicates C: 17 36.016 2.285 0.817 0.897 0.875 0.562 CA 1.775 17 residues pruned to eliminate duplicates D: 17 41.165 2.400 1.178 0.893 0.938 0.688 CB 1.508 E: 17 46.005 2.419 1.238 0.913 1.000 0.750 CB 1.504 17 residues pruned to eliminate duplicates F: 12 36.023 2.506 0.593 0.930 1.000 0.909 CA 1.903 G: 13 48.315 2.433 1.278 0.907 1.000 0.750 CB 1.789 12 residues pruned to eliminate duplicates H: 17 48.578 2.426 1.210 0.924 0.938 0.750 CB 1.697 17 residues pruned to eliminate duplicates I: 17 41.391 2.394 1.100 0.892 0.938 0.750 CA 1.577 17 residues pruned to eliminate duplicates J: 27 25.377 2.259 0.863 0.423 0.769 0.577 CB 1.665 K: 15 35.541 2.418 0.877 0.830 0.929 0.786 CA 1.695 L: 13 45.943 2.415 1.156 0.900 1.000 0.750 CB 1.819 14 residues pruned to eliminate duplicates M: 16 45.799 2.524 1.173 0.906 0.867 0.600 CB 1.770 17 residues pruned to eliminate duplicates N: 7 8.769 1.843 0.514 0.893 1.000 0.833 CA 0.921 O: 14 31.434 2.283 0.844 0.825 0.846 0.692 CA 1.847 14 residues pruned to eliminate duplicates P: 16 40.622 2.443 1.082 0.864 0.933 0.600 CA 1.619 16 residues pruned to eliminate duplicates Q: 13 43.784 2.453 1.353 0.842 1.000 0.750 CA 1.632 R: 57 38.448 2.292 0.780 0.402 0.875 0.339 CB 1.596 S: 13 36.077 2.247 0.968 0.916 1.000 0.833 CA 1.664 13 residues pruned to eliminate duplicates T: 16 28.796 2.292 0.577 0.889 0.933 0.867 CB 1.586 16 residues pruned to eliminate duplicates U: 16 17.900 2.160 0.983 0.471 0.800 0.467 CB 1.389 V: 12 60.706 2.581 1.675 0.940 1.000 0.636 CB 1.841 12 residues pruned to eliminate duplicates W: 59 48.653 2.269 0.818 0.539 0.914 0.500 CB 1.632 X: 17 32.248 2.211 0.900 0.830 0.812 0.625 CB 1.776 7 residues pruned to eliminate duplicates Y: 14 38.373 2.304 1.184 0.882 0.923 0.615 CB 1.658 14 residues pruned to eliminate duplicates Z: 12 27.993 2.185 0.887 0.916 0.909 0.818 CB 1.591 Z: 18 39.199 2.243 0.875 0.829 1.000 0.706 CA 1.700 Z: 12 39.577 2.453 0.890 0.908 0.909 0.909 CB 2.011 12 residues pruned to eliminate duplicates Z: 12 21.734 2.190 1.138 0.715 0.727 0.545 CA 1.584 Z: 16 27.240 2.370 0.929 0.520 0.867 0.467 CB 1.741 16 residues pruned to eliminate duplicates Z: 16 32.510 2.285 0.699 0.869 1.000 0.667 CB 1.579 15 residues pruned to eliminate duplicates Z: 12 29.056 2.175 0.826 0.893 1.000 0.636 CA 1.584 12 residues pruned to eliminate duplicates Z: 12 30.674 2.440 1.079 0.873 0.909 0.818 CA 1.460 12 residues pruned to eliminate duplicates Z: 12 51.249 2.410 1.433 0.909 1.000 0.909 CA 1.870 12 residues pruned to eliminate duplicates Z: 13 39.816 2.318 1.274 0.864 1.000 0.583 CB 1.599 13 residues pruned to eliminate duplicates Z: 11 19.519 2.021 0.525 0.854 1.000 0.800 CB 1.479 Z: 15 45.181 2.515 1.106 0.902 0.929 0.429 CB 1.751 15 residues pruned to eliminate duplicates Z: 22 32.800 2.295 1.024 0.554 0.857 0.571 CA 1.705 26 residues pruned to eliminate duplicates Z: 12 19.366 1.916 0.673 0.854 1.000 0.909 CB 1.346 11 residues pruned to eliminate duplicates Z: 13 34.650 2.396 0.899 0.832 1.000 0.667 CA 1.650 13 residues pruned to eliminate duplicates Z: 31 21.054 2.124 0.784 0.423 0.733 0.367 CB 1.498 16 residues pruned to eliminate duplicates Z: 18 41.222 2.302 1.023 0.851 0.882 0.765 CA 1.801 18 residues pruned to eliminate duplicates Z: 16 21.763 2.423 0.599 0.376 0.933 0.733 CB 1.773 Z: 9 17.441 2.131 0.802 0.855 0.875 0.875 CB 1.354 9 residues pruned to eliminate duplicates Z: 14 25.715 2.034 0.659 0.940 1.000 0.846 CA 1.467 14 residues pruned to eliminate duplicates Z: 13 29.215 2.133 1.007 0.901 0.917 0.667 CB 1.534 Z: 15 31.331 2.298 0.758 0.875 1.000 0.786 CA 1.507 15 residues pruned to eliminate duplicates Z: 15 30.392 2.314 0.696 0.857 0.857 0.714 CB 1.779 16 residues pruned to eliminate duplicates Z: 15 26.569 1.965 0.782 0.860 1.000 0.857 CA 1.491 12 residues pruned to eliminate duplicates Z: 14 44.111 2.602 1.060 0.893 0.923 0.538 CB 1.775 14 residues pruned to eliminate duplicates Z: 14 25.200 2.182 0.610 0.807 1.000 0.846 CA 1.522 14 residues pruned to eliminate duplicates Z: 17 44.326 2.410 1.239 0.898 0.938 0.812 CB 1.567 16 residues pruned to eliminate duplicates Z: 14 36.933 2.388 0.857 0.895 1.000 0.692 CB 1.657 Z: 13 41.856 2.441 1.179 0.857 1.000 0.833 CA 1.674 13 residues pruned to eliminate duplicates Z: 22 19.110 2.139 0.636 0.418 0.810 0.381 CB 1.604 22 residues pruned to eliminate duplicates Z: 12 40.191 2.299 1.297 0.903 0.909 0.545 CA 1.799 12 residues pruned to eliminate duplicates Z: 11 42.280 2.534 0.913 0.933 1.000 1.000 CA 1.924 11 residues pruned to eliminate duplicates Z: 16 41.985 2.366 1.027 0.838 0.933 0.733 CA 1.809 17 residues pruned to eliminate duplicates Z: 13 27.351 2.377 0.799 0.814 1.000 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 13 46.311 2.365 1.420 0.930 1.000 0.333 CB 1.634 13 residues pruned to eliminate duplicates Z: 23 39.805 2.327 0.877 0.661 0.955 0.727 CA 1.754 16 residues pruned to eliminate duplicates Z: 13 40.830 2.380 1.329 0.821 0.917 0.833 CB 1.756 13 residues pruned to eliminate duplicates Z: 17 42.432 2.399 0.992 0.883 1.000 0.875 CB 1.606 17 residues pruned to eliminate duplicates Z: 21 32.701 2.328 0.996 0.491 0.850 0.650 CB 1.869 21 residues pruned to eliminate duplicates Z: 33 27.666 2.192 0.878 0.427 0.812 0.500 CB 1.578 24 residues pruned to eliminate duplicates Z: 11 38.484 2.541 1.059 0.928 1.000 0.800 CA 1.628 11 residues pruned to eliminate duplicates Z: 76 47.507 2.354 0.860 0.429 0.787 0.533 CB 1.714 57 residues pruned to eliminate duplicates Z: 26 32.581 2.188 1.116 0.493 0.880 0.520 CB 1.610 30 residues pruned to eliminate duplicates Z: 18 22.894 2.269 0.708 0.395 0.941 0.706 CB 1.700 17 residues pruned to eliminate duplicates Z: 13 28.020 2.111 1.046 0.904 0.917 0.833 CB 1.455 13 residues pruned to eliminate duplicates Z: 12 27.626 2.189 0.892 0.884 0.909 0.636 CA 1.599 12 residues pruned to eliminate duplicates Z: 16 33.429 2.354 0.739 0.863 0.933 0.733 CB 1.658 17 residues pruned to eliminate duplicates Z: 15 34.530 2.297 0.862 0.898 0.929 0.714 CA 1.661 15 residues pruned to eliminate duplicates Z: 12 47.896 2.439 1.401 0.919 1.000 0.909 CB 1.739 12 residues pruned to eliminate duplicates Z: 13 36.679 2.422 0.724 0.939 1.000 1.000 CA 1.762 13 residues pruned to eliminate duplicates Z: 44 46.328 2.456 0.894 0.518 0.860 0.581 CB 1.734 43 residues pruned to eliminate duplicates Z: 15 37.372 2.375 0.980 0.868 1.000 0.571 CB 1.552 14 residues pruned to eliminate duplicates Z: 17 40.347 2.413 0.816 0.837 1.000 0.750 CA 1.721 17 residues pruned to eliminate duplicates Z: 17 24.364 2.222 0.297 0.882 1.000 0.688 CA 1.529 17 residues pruned to eliminate duplicates Z: 16 36.949 2.387 0.887 0.755 1.000 0.733 CB 1.688 16 residues pruned to eliminate duplicates Z: 7 10.521 2.376 0.562 0.441 0.833 0.500 CB 1.476 Z: 6 7.836 1.593 0.669 0.677 1.000 0.600 CA 1.120 Z: 7 25.064 2.471 1.113 0.812 0.833 0.333 CA 1.792 Z: 16 32.793 2.300 0.725 0.912 1.000 0.800 CB 1.512 16 residues pruned to eliminate duplicates Z: 16 28.979 2.233 0.827 0.828 1.000 0.600 CB 1.382 16 residues pruned to eliminate duplicates Z: 21 28.614 2.345 0.980 0.414 0.900 0.600 CB 1.675 Z: 6 9.409 1.991 0.593 0.806 0.800 0.800 CA 1.270 6 residues pruned to eliminate duplicates Z: 19 28.043 2.317 0.894 0.489 0.833 0.611 CA 1.828 Z: 16 32.241 2.303 1.042 0.782 0.933 0.600 CB 1.479 16 residues pruned to eliminate duplicates Z: 9 21.235 2.330 1.075 0.686 0.750 0.500 CA 1.745 9 residues pruned to eliminate duplicates Z: 28 27.286 2.088 0.881 0.505 0.889 0.556 CB 1.496 24 residues pruned to eliminate duplicates Z: 18 45.650 2.325 1.054 0.865 0.941 0.706 CA 1.806 18 residues pruned to eliminate duplicates Z: 16 25.782 2.275 0.602 0.894 0.933 0.800 CB 1.403 16 residues pruned to eliminate duplicates Z: 72 43.366 2.259 0.802 0.446 0.845 0.465 CB 1.582 66 residues pruned to eliminate duplicates Z: 138 68.645 2.268 0.877 0.492 0.891 0.547 CB 1.560 111 residues pruned to eliminate duplicates Z: 15 37.513 2.371 0.906 0.872 1.000 0.714 CB 1.617 15 residues pruned to eliminate duplicates Z: 37 56.883 2.453 1.165 0.579 0.944 0.611 CB 1.753 48 residues pruned to eliminate duplicates Z: 12 48.664 2.333 1.513 0.915 1.000 0.636 CB 1.769 12 residues pruned to eliminate duplicates Z: 43 32.720 2.144 1.012 0.440 0.881 0.548 CB 1.414 21 residues pruned to eliminate duplicates Z: 23 29.060 2.200 0.958 0.477 0.909 0.591 CB 1.619 19 residues pruned to eliminate duplicates Z: 13 42.534 2.190 1.569 0.912 1.000 0.833 CA 1.546 13 residues pruned to eliminate duplicates Z: 16 24.486 2.170 0.723 0.804 0.867 0.600 CA 1.496 16 residues pruned to eliminate duplicates Z: 9 33.412 2.453 1.216 0.770 1.000 0.500 CB 1.712 Z: 15 12.303 1.916 0.785 0.343 0.786 0.643 CB 1.452 Z: 16 29.882 2.222 0.775 0.879 1.000 0.667 CA 1.419 16 residues pruned to eliminate duplicates Z: 9 15.613 2.140 0.983 0.658 0.625 0.375 CB 1.798 9 residues pruned to eliminate duplicates Z: 42 28.141 2.103 0.824 0.407 0.854 0.512 CB 1.479 42 residues pruned to eliminate duplicates Z: 75 65.989 2.340 1.110 0.512 0.892 0.459 CB 1.722 65 residues pruned to eliminate duplicates Z: 23 39.780 2.412 1.072 0.679 0.909 0.682 CB 1.583 23 residues pruned to eliminate duplicates Z: 17 29.167 2.212 0.833 0.814 0.812 0.625 CA 1.685 17 residues pruned to eliminate duplicates Z: 8 11.464 1.935 0.735 0.518 0.857 0.714 CB 1.480 Z: 17 36.631 2.209 1.060 0.866 0.938 0.812 CA 1.572 17 residues pruned to eliminate duplicates Z: 67 40.583 2.297 0.719 0.443 0.894 0.470 CB 1.501 48 residues pruned to eliminate duplicates Z: 17 15.894 2.207 0.726 0.310 0.812 0.562 CB 1.584 17 residues pruned to eliminate duplicates Z: 11 27.203 2.119 0.922 0.823 1.000 0.600 CB 1.596 Z: 11 24.509 2.159 0.733 0.861 1.000 1.000 CB 1.521 11 residues pruned to eliminate duplicates Z: 28 31.158 2.306 0.866 0.542 0.926 0.444 CB 1.444 28 residues pruned to eliminate duplicates Z: 26 31.471 2.195 0.971 0.478 0.920 0.640 CB 1.616 26 residues pruned to eliminate duplicates Z: 20 38.936 2.174 0.833 0.889 1.000 0.737 CB 1.615 20 residues pruned to eliminate duplicates Z: 12 28.675 2.164 0.849 0.873 1.000 0.909 CA 1.573 12 residues pruned to eliminate duplicates Z: 13 41.685 2.253 1.259 0.925 1.000 0.917 CA 1.659 13 residues pruned to eliminate duplicates Z: 16 30.706 2.214 0.745 0.889 1.000 0.533 CB 1.478 16 residues pruned to eliminate duplicates Z: 13 25.674 2.325 0.510 0.882 0.917 0.667 CA 1.666 13 residues pruned to eliminate duplicates Z: 12 14.247 1.991 0.696 0.403 0.909 0.727 CA 1.550 Z: 13 46.752 2.138 1.652 0.936 1.000 0.583 CA 1.658 13 residues pruned to eliminate duplicates Z: 39 32.503 2.210 0.760 0.436 0.895 0.553 CB 1.619 24 residues pruned to eliminate duplicates Z: 29 28.570 2.157 0.989 0.491 0.821 0.464 CB 1.546 25 residues pruned to eliminate duplicates Z: 31 28.172 2.273 0.802 0.490 0.867 0.600 CB 1.463 31 residues pruned to eliminate duplicates Z: 13 22.811 2.119 0.784 0.887 0.833 0.833 CA 1.507 13 residues pruned to eliminate duplicates Z: 12 28.481 2.209 0.710 0.914 1.000 0.818 CA 1.607 12 residues pruned to eliminate duplicates Z: 12 49.515 2.286 1.559 0.924 1.000 0.545 CA 1.793 12 residues pruned to eliminate duplicates Z: 15 28.120 2.297 0.611 0.856 1.000 0.857 CA 1.498 15 residues pruned to eliminate duplicates Z: 9 16.049 2.210 1.208 0.568 0.625 0.500 CB 1.743 9 residues pruned to eliminate duplicates Z: 12 20.612 2.143 1.206 0.631 0.727 0.364 CA 1.597 10 residues pruned to eliminate duplicates Z: 15 31.104 2.348 0.589 0.893 1.000 0.643 CB 1.600 15 residues pruned to eliminate duplicates Z: 6 8.149 2.072 0.567 0.487 0.800 0.800 O 1.421 Z: 16 24.101 2.232 0.902 0.495 0.933 0.600 CB 1.578 16 residues pruned to eliminate duplicates Z: 17 40.712 2.357 0.876 0.862 1.000 0.750 CA 1.690 17 residues pruned to eliminate duplicates Z: 17 38.577 2.356 0.778 0.898 1.000 0.938 CA 1.646 17 residues pruned to eliminate duplicates Z: 16 27.173 2.320 0.610 0.858 0.867 0.600 CB 1.596 16 residues pruned to eliminate duplicates Z: 9 18.745 2.283 0.979 0.548 0.875 0.625 CB 1.600 9 residues pruned to eliminate duplicates Z: 24 24.947 2.218 0.701 0.459 0.913 0.522 CB 1.575 18 residues pruned to eliminate duplicates Z: 17 41.127 2.183 1.099 0.873 1.000 0.812 CA 1.635 17 residues pruned to eliminate duplicates Z: 17 27.204 2.329 0.892 0.494 0.875 0.562 CA 1.775 17 residues pruned to eliminate duplicates Z: 16 42.439 2.381 0.907 0.876 1.000 0.867 CB 1.753 16 residues pruned to eliminate duplicates Z: 6 8.569 1.914 0.461 0.780 0.800 0.600 CA 1.338 6 residues pruned to eliminate duplicates Z: 13 23.239 1.990 0.934 0.873 1.000 0.917 CB 1.270 13 residues pruned to eliminate duplicates Z: 11 22.479 2.220 1.022 0.869 0.900 0.800 CA 1.285 11 residues pruned to eliminate duplicates Z: 12 26.454 2.037 1.117 0.823 0.909 0.636 CB 1.538 12 residues pruned to eliminate duplicates Z: 32 22.730 2.144 1.045 0.346 0.710 0.452 CB 1.550 32 residues pruned to eliminate duplicates Z: 22 20.130 2.017 0.802 0.460 0.905 0.524 CB 1.392 22 residues pruned to eliminate duplicates Z: 16 38.596 2.257 1.023 0.884 1.000 0.867 CA 1.578 16 residues pruned to eliminate duplicates Z: 13 21.584 2.251 0.304 0.880 0.917 0.917 CB 1.679 13 residues pruned to eliminate duplicates Z: 10 15.474 2.066 0.533 0.757 0.889 0.778 CB 1.458 10 residues pruned to eliminate duplicates Z: 29 30.392 2.227 0.778 0.443 0.929 0.571 CB 1.658 29 residues pruned to eliminate duplicates Z: 18 35.896 2.137 0.877 0.830 0.941 0.765 CA 1.734 18 residues pruned to eliminate duplicates Z: 30 33.165 2.326 0.972 0.521 0.759 0.379 CB 1.733 30 residues pruned to eliminate duplicates Z: 16 33.014 2.258 0.882 0.865 0.867 0.733 CA 1.696 16 residues pruned to eliminate duplicates Z: 122 98.319 2.424 1.126 0.530 0.926 0.603 CB 1.820 127 residues pruned to eliminate duplicates Z: 14 9.283 2.168 0.427 0.390 0.846 0.538 CB 1.105 14 residues pruned to eliminate duplicates Z: 83 82.144 2.410 1.150 0.548 0.927 0.512 CB 1.803 83 residues pruned to eliminate duplicates Z: 13 25.699 2.180 0.646 0.856 1.000 0.833 CA 1.525 13 residues pruned to eliminate duplicates Z: 17 49.256 2.406 1.082 0.813 1.000 0.438 CA 1.873 17 residues pruned to eliminate duplicates Z: 42 29.969 2.161 0.888 0.407 0.878 0.585 CB 1.441 42 residues pruned to eliminate duplicates Z: 44 51.219 2.452 1.149 0.509 0.907 0.651 CB 1.620 28 residues pruned to eliminate duplicates Z: 15 25.056 2.062 0.885 0.914 0.929 0.500 CB 1.312 Z: 7 31.678 2.413 1.549 0.762 1.000 0.667 CA 1.667 7 residues pruned to eliminate duplicates Z: 11 37.571 2.501 1.042 0.901 1.000 0.700 CA 1.660 11 residues pruned to eliminate duplicates Z: 6 7.802 1.735 0.482 0.833 0.800 0.800 CA 1.272 6 residues pruned to eliminate duplicates Z: 16 47.273 2.451 1.111 0.870 0.933 0.733 CA 1.845 16 residues pruned to eliminate duplicates Z: 24 30.267 2.315 0.849 0.498 0.870 0.609 CB 1.700 23 residues pruned to eliminate duplicates Z: 17 36.772 2.316 1.026 0.826 0.938 0.562 CB 1.576 17 residues pruned to eliminate duplicates Z: 16 11.993 2.213 0.374 0.302 0.933 0.533 CB 1.360 16 residues pruned to eliminate duplicates Z: 10 8.895 1.954 0.552 0.521 0.778 0.667 CB 1.231 Z: 24 36.112 2.319 1.042 0.427 0.913 0.609 CB 1.878 24 residues pruned to eliminate duplicates Z: 11 39.718 2.519 1.137 0.933 1.000 0.800 CA 1.628 11 residues pruned to eliminate duplicates Z: 14 38.158 2.454 0.922 0.907 0.923 0.692 CB 1.728 14 residues pruned to eliminate duplicates Z: 20 20.323 2.052 1.058 0.434 0.895 0.684 CB 1.321 11 residues pruned to eliminate duplicates Z: 14 25.863 1.919 0.808 0.909 1.000 1.000 CA 1.467 14 residues pruned to eliminate duplicates Z: 15 33.062 2.329 0.675 0.880 1.000 0.714 CA 1.642 15 residues pruned to eliminate duplicates Z: 36 36.626 2.271 1.006 0.415 0.886 0.543 CB 1.676 36 residues pruned to eliminate duplicates Z: 24 39.781 2.303 0.960 0.671 0.913 0.652 CB 1.719 24 residues pruned to eliminate duplicates Z: 22 25.121 2.389 0.888 0.423 0.857 0.524 CB 1.536 28 residues pruned to eliminate duplicates Z: 7 14.394 2.146 0.580 0.659 1.000 0.667 CB 1.495 Z: 8 11.577 2.085 0.902 0.605 0.714 0.714 CA 1.397 Z: 16 15.604 2.200 0.604 0.382 0.800 0.467 CB 1.618 16 residues pruned to eliminate duplicates Z: 12 30.116 2.131 1.056 0.873 1.000 0.727 CA 1.510 12 residues pruned to eliminate duplicates Z: 61 51.840 2.336 0.950 0.511 0.883 0.500 CB 1.645 63 residues pruned to eliminate duplicates Z: 6 8.932 1.847 0.386 0.682 1.000 0.600 CB 1.321 Z: 27 23.634 2.243 0.905 0.356 0.808 0.462 CB 1.569 27 residues pruned to eliminate duplicates Z: 29 37.850 2.275 1.017 0.557 0.857 0.750 CA 1.721 27 residues pruned to eliminate duplicates Z: 11 22.488 2.346 0.689 0.695 0.900 0.400 CA 1.669 11 residues pruned to eliminate duplicates Z: 18 22.524 2.267 0.769 0.465 0.882 0.529 CB 1.599 18 residues pruned to eliminate duplicates Z: 7 14.348 2.178 0.772 0.852 0.667 0.500 CA 1.683 7 residues pruned to eliminate duplicates Z: 18 18.160 2.216 0.564 0.403 0.882 0.647 CB 1.594 10 residues pruned to eliminate duplicates Z: 16 33.125 2.344 0.837 0.846 0.800 0.800 CA 1.845 16 residues pruned to eliminate duplicates Z: 11 20.570 2.135 0.903 0.875 1.000 0.700 CA 1.164 11 residues pruned to eliminate duplicates Z: 12 35.657 2.330 0.815 0.924 1.000 0.818 CB 1.785 12 residues pruned to eliminate duplicates Z: 13 48.542 2.602 1.184 0.884 1.000 0.583 CB 1.781 13 residues pruned to eliminate duplicates Z: 12 21.277 2.079 0.762 0.809 0.909 0.545 CB 1.471 12 residues pruned to eliminate duplicates Z: 36 23.642 2.168 0.631 0.412 0.857 0.457 CB 1.446 24 residues pruned to eliminate duplicates Z: 27 25.773 2.270 0.892 0.411 0.846 0.500 CB 1.527 27 residues pruned to eliminate duplicates Z: 6 3.392 1.787 0.562 0.290 0.600 0.400 N 1.147 Z: 13 28.656 2.198 0.696 0.891 1.000 0.917 CB 1.596 13 residues pruned to eliminate duplicates Z: 15 47.610 2.518 1.139 0.889 0.929 0.643 CA 1.832 15 residues pruned to eliminate duplicates Z: 9 24.775 2.110 1.241 0.805 1.000 0.500 CB 1.420 9 residues pruned to eliminate duplicates Z: 18 18.521 2.272 0.304 0.379 0.941 0.588 CB 1.831 18 residues pruned to eliminate duplicates Z: 18 22.094 2.148 0.760 0.580 0.941 0.412 CB 1.395 16 residues pruned to eliminate duplicates Z: 15 34.701 2.309 0.901 0.915 0.929 0.571 CA 1.608 15 residues pruned to eliminate duplicates Z: 7 8.684 1.804 0.236 0.727 1.000 0.833 CA 1.295 7 residues pruned to eliminate duplicates Z: 13 22.326 1.954 0.913 0.869 0.917 0.833 CB 1.373 13 residues pruned to eliminate duplicates Z: 14 14.879 2.379 0.315 0.322 1.000 0.615 CB 1.603 14 residues pruned to eliminate duplicates Z: 12 26.921 2.196 0.975 0.858 0.909 0.727 CA 1.516 12 residues pruned to eliminate duplicates Z: 15 44.943 2.395 0.975 0.860 1.000 0.857 CA 1.867 15 residues pruned to eliminate duplicates Z: 16 35.396 2.357 0.643 0.877 1.000 1.000 CB 1.713 16 residues pruned to eliminate duplicates Z: 31 42.985 2.208 0.949 0.650 0.967 0.800 CB 1.641 31 residues pruned to eliminate duplicates Z: 14 28.337 2.000 0.925 0.886 1.000 0.538 CB 1.473 14 residues pruned to eliminate duplicates Z: 68 57.377 2.341 1.160 0.454 0.866 0.493 CB 1.678 68 residues pruned to eliminate duplicates Z: 11 18.736 1.998 0.475 0.858 1.000 0.800 CB 1.480 11 residues pruned to eliminate duplicates Z: 16 14.144 2.158 0.762 0.383 0.733 0.467 CB 1.483 16 residues pruned to eliminate duplicates Z: 14 18.697 1.858 0.798 0.749 0.923 0.769 CA 1.347 14 residues pruned to eliminate duplicates Z: 11 12.054 1.697 0.603 0.785 0.900 0.500 CA 1.212 11 residues pruned to eliminate duplicates Z: 9 7.243 1.907 0.539 0.237 0.875 0.250 CB 1.354 Z: 6 5.271 1.649 1.199 0.298 0.800 0.800 CB 1.018 Z: 13 26.136 2.210 0.710 0.901 1.000 0.833 CA 1.425 13 residues pruned to eliminate duplicates Z: 7 5.331 2.248 0.003 0.458 0.667 0.500 CB 1.511 7 residues pruned to eliminate duplicates Z: 6 7.022 1.856 0.662 0.485 0.800 0.600 CB 1.291 Z: 11 18.505 2.273 0.821 0.812 0.700 0.400 CB 1.539 12 residues pruned to eliminate duplicates Z: 7 15.415 2.356 0.398 0.619 1.000 1.000 CB 1.707 7 residues pruned to eliminate duplicates Z: 16 39.072 2.318 0.877 0.885 1.000 0.733 CA 1.674 16 residues pruned to eliminate duplicates Z: 9 11.560 2.041 0.897 0.662 0.625 0.500 CB 1.454 9 residues pruned to eliminate duplicates Z: 40 34.801 2.309 0.890 0.405 0.872 0.538 CB 1.619 43 residues pruned to eliminate duplicates Z: 12 38.213 2.346 0.945 0.914 1.000 1.000 CB 1.786 12 residues pruned to eliminate duplicates Z: 11 18.769 2.198 0.471 0.899 1.000 0.900 CA 1.312 11 residues pruned to eliminate duplicates Z: 7 4.182 1.827 0.255 0.490 0.667 0.500 CB 1.129 Z: 10 13.269 1.890 0.919 0.624 0.778 0.556 CA 1.395 8 residues pruned to eliminate duplicates Z: 14 36.376 2.408 0.996 0.871 0.923 0.846 CA 1.658 14 residues pruned to eliminate duplicates Z: 6 9.302 1.772 0.827 0.671 0.800 0.400 CA 1.371 6 residues pruned to eliminate duplicates Z: 7 10.415 2.124 0.381 0.711 0.833 0.833 N 1.436 7 residues pruned to eliminate duplicates Z: 84 90.108 2.428 1.188 0.575 0.940 0.614 CA 1.842 84 residues pruned to eliminate duplicates Z: 42 43.524 2.475 1.061 0.546 0.829 0.463 CB 1.537 42 residues pruned to eliminate duplicates Z: 27 31.615 2.197 0.912 0.523 0.846 0.615 CB 1.706 22 residues pruned to eliminate duplicates Z: 17 52.693 2.399 1.133 0.876 1.000 0.812 CA 1.872 17 residues pruned to eliminate duplicates Z: 11 44.281 2.534 1.198 0.923 1.000 0.900 CA 1.767 11 residues pruned to eliminate duplicates Z: 17 31.782 2.262 0.677 0.869 0.938 0.812 CB 1.632 17 residues pruned to eliminate duplicates Z: 16 15.735 2.344 0.574 0.347 0.933 0.667 CB 1.393 16 residues pruned to eliminate duplicates Z: 25 32.898 2.252 1.030 0.637 0.875 0.458 CB 1.476 25 residues pruned to eliminate duplicates Z: 10 23.904 2.264 0.734 0.919 1.000 0.778 CA 1.431 10 residues pruned to eliminate duplicates Z: 12 12.092 2.465 0.626 0.268 0.818 0.455 CB 1.448 12 residues pruned to eliminate duplicates Z: 16 38.017 2.383 0.931 0.869 0.933 0.867 CA 1.670 16 residues pruned to eliminate duplicates Z: 51 56.754 2.346 1.016 0.567 0.920 0.580 CB 1.728 51 residues pruned to eliminate duplicates Z: 7 16.464 2.171 0.524 0.721 1.000 0.500 CB 1.663 6 residues pruned to eliminate duplicates Z: 14 33.558 2.236 1.141 0.790 0.846 0.692 CB 1.781 14 residues pruned to eliminate duplicates Z: 6 18.144 2.010 1.003 0.834 1.000 1.000 CA 1.511 Z: 29 28.613 2.058 0.716 0.606 0.929 0.500 CB 1.491 29 residues pruned to eliminate duplicates Z: 42 35.094 2.288 0.929 0.427 0.878 0.561 CB 1.526 42 residues pruned to eliminate duplicates Z: 9 9.360 2.119 0.822 0.570 0.500 0.375 CB 1.603 9 residues pruned to eliminate duplicates Z: 23 38.074 2.323 0.854 0.687 0.955 0.773 CB 1.663 23 residues pruned to eliminate duplicates Z: 29 26.593 2.306 0.732 0.489 0.786 0.536 CB 1.620 29 residues pruned to eliminate duplicates Z: 8 8.092 1.660 0.718 0.738 0.714 0.429 N 1.213 8 residues pruned to eliminate duplicates Z: 8 9.802 1.780 0.494 0.544 1.000 0.714 CA 1.334 Z: 7 18.697 2.174 0.869 0.862 1.000 0.500 CB 1.379 7 residues pruned to eliminate duplicates Z: 16 38.899 2.329 0.859 0.863 1.000 0.533 CA 1.703 16 residues pruned to eliminate duplicates Z: 7 6.641 2.330 0.200 0.414 0.667 0.500 CB 1.592 7 residues pruned to eliminate duplicates Z: 41 33.970 2.229 0.794 0.465 0.900 0.575 CB 1.546 41 residues pruned to eliminate duplicates Z: 6 10.430 1.807 0.726 0.764 1.000 0.400 CA 1.183 Z: 16 18.183 2.053 0.320 0.750 0.867 0.400 CA 1.598 16 residues pruned to eliminate duplicates Z: 40 48.674 2.358 0.940 0.567 0.949 0.667 CB 1.684 40 residues pruned to eliminate duplicates Z: 14 25.817 2.199 0.629 0.824 1.000 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 10 20.709 2.239 0.663 0.872 1.000 0.778 CA 1.351 10 residues pruned to eliminate duplicates Z: 17 40.018 2.236 0.976 0.891 1.000 0.750 CA 1.628 17 residues pruned to eliminate duplicates Z: 16 14.542 2.142 0.779 0.388 0.867 0.600 CB 1.280 17 residues pruned to eliminate duplicates Z: 13 12.621 2.052 0.592 0.333 0.833 0.583 CB 1.607 12 residues pruned to eliminate duplicates Z: 14 8.027 1.714 0.282 0.549 0.846 0.462 CB 1.142 Z: 10 4.506 1.710 0.115 0.465 0.667 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 10 11.250 1.725 0.685 0.841 0.778 0.444 CB 1.237 10 residues pruned to eliminate duplicates Z: 8 6.445 2.142 0.195 0.651 0.714 0.571 CA 1.157 8 residues pruned to eliminate duplicates Z: 15 21.709 2.497 0.387 0.473 0.929 0.571 CA 1.855 15 residues pruned to eliminate duplicates Z: 26 21.212 2.240 0.737 0.410 0.760 0.480 CB 1.576 26 residues pruned to eliminate duplicates Z: 36 19.920 2.024 0.910 0.408 0.857 0.486 CB 1.119 31 residues pruned to eliminate duplicates Z: 12 22.288 2.075 0.716 0.863 1.000 0.727 CA 1.385 12 residues pruned to eliminate duplicates Z: 15 34.473 2.345 0.915 0.839 0.929 0.714 CB 1.650 15 residues pruned to eliminate duplicates Z: 12 43.693 2.331 1.609 0.886 0.909 0.636 CB 1.719 12 residues pruned to eliminate duplicates Z: 7 15.644 2.112 0.752 0.821 0.833 0.500 CB 1.568 6 residues pruned to eliminate duplicates Z: 62 54.976 2.342 0.932 0.512 0.918 0.574 CB 1.675 128 residues pruned to eliminate duplicates Z: 16 13.944 2.027 0.851 0.382 0.733 0.600 CB 1.484 16 residues pruned to eliminate duplicates Z: 13 31.684 2.147 1.164 0.876 0.917 0.833 CB 1.560 13 residues pruned to eliminate duplicates Z: 11 40.117 2.575 1.049 0.936 1.000 0.900 CA 1.675 11 residues pruned to eliminate duplicates Z: 14 37.201 2.286 0.795 0.934 1.000 0.846 CA 1.753 14 residues pruned to eliminate duplicates Z: 86 56.381 2.319 0.875 0.512 0.871 0.518 CB 1.596 86 residues pruned to eliminate duplicates Z: 8 4.423 1.716 1.275 0.386 0.714 0.429 CB 0.676 Z: 11 4.507 1.768 0.577 0.319 0.600 0.600 CB 1.040 Z: 14 24.933 2.072 1.262 0.907 0.923 0.385 CB 1.135 15 residues pruned to eliminate duplicates Z: 23 46.876 2.435 1.207 0.667 0.955 0.591 CB 1.669 23 residues pruned to eliminate duplicates Z: 62 61.281 2.416 1.027 0.535 0.869 0.574 CB 1.782 62 residues pruned to eliminate duplicates Z: 14 27.143 2.146 0.927 0.893 0.923 0.769 CA 1.415 14 residues pruned to eliminate duplicates Z: 35 34.339 2.216 1.033 0.527 0.794 0.412 CB 1.602 35 residues pruned to eliminate duplicates Z: 18 37.065 2.126 0.993 0.880 0.941 0.824 CA 1.633 18 residues pruned to eliminate duplicates Z: 39 27.655 2.164 0.804 0.418 0.842 0.526 CB 1.487 38 residues pruned to eliminate duplicates Z: 24 30.051 2.010 1.085 0.618 0.913 0.565 CA 1.464 14 residues pruned to eliminate duplicates Z: 12 18.249 1.970 0.829 0.494 0.909 0.636 CA 1.691 12 residues pruned to eliminate duplicates Z: 54 37.604 2.145 0.887 0.479 0.887 0.434 CB 1.470 54 residues pruned to eliminate duplicates Z: 39 32.786 2.271 0.686 0.512 0.895 0.579 CB 1.535 39 residues pruned to eliminate duplicates Z: 41 32.053 2.149 0.987 0.484 0.875 0.550 CB 1.378 41 residues pruned to eliminate duplicates Z: 15 27.660 2.064 1.104 0.836 0.929 0.714 CB 1.372 16 residues pruned to eliminate duplicates Z: 14 43.063 2.168 1.340 0.901 1.000 0.692 CB 1.680 Z: 16 8.613 2.115 0.228 0.337 0.733 0.333 CB 1.396 16 residues pruned to eliminate duplicates Z: 8 14.809 2.243 0.925 0.775 0.714 0.571 CA 1.424 8 residues pruned to eliminate duplicates Z: 15 27.852 1.891 1.143 0.897 1.000 0.929 CA 1.315 15 residues pruned to eliminate duplicates Z: 10 14.992 1.827 0.530 0.855 1.000 0.889 CA 1.319 10 residues pruned to eliminate duplicates Z: 11 10.269 1.967 0.478 0.355 0.900 0.600 CB 1.452 11 residues pruned to eliminate duplicates Z: 9 16.147 2.061 1.350 0.555 0.625 0.250 CA 1.788 9 residues pruned to eliminate duplicates Z: 14 8.514 1.894 0.389 0.316 0.846 0.615 CB 1.300 12 residues pruned to eliminate duplicates Z: 8 16.835 2.411 0.743 0.711 0.714 0.429 CA 1.750 8 residues pruned to eliminate duplicates Z: 23 23.881 2.173 0.771 0.536 0.909 0.682 CB 1.404 23 residues pruned to eliminate duplicates Z: 12 27.093 2.066 0.941 0.867 1.000 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 17 10.845 1.947 0.859 0.314 0.750 0.375 CB 1.228 17 residues pruned to eliminate duplicates Z: 43 31.218 2.195 0.912 0.402 0.833 0.548 CB 1.527 43 residues pruned to eliminate duplicates Z: 23 15.146 2.144 0.559 0.350 0.818 0.500 CB 1.390 23 residues pruned to eliminate duplicates Z: 14 25.898 2.028 0.823 0.849 1.000 0.846 CA 1.440 14 residues pruned to eliminate duplicates Z: 14 19.852 2.091 0.356 0.916 1.000 1.000 CB 1.371 14 residues pruned to eliminate duplicates Z: 8 15.250 2.001 1.020 0.682 0.857 0.571 CA 1.408 9 residues pruned to eliminate duplicates Z: 8 5.531 2.011 0.591 0.259 0.571 0.429 N 1.506 8 residues pruned to eliminate duplicates Z: 13 30.775 2.104 1.145 0.912 0.917 0.917 CB 1.520 13 residues pruned to eliminate duplicates Z: 45 55.629 2.514 1.107 0.532 0.909 0.568 CB 1.687 46 residues pruned to eliminate duplicates Z: 15 9.559 2.061 0.404 0.318 0.714 0.429 CB 1.512 15 residues pruned to eliminate duplicates Z: 29 32.169 2.228 1.126 0.363 0.857 0.393 CB 1.735 28 residues pruned to eliminate duplicates Z: 15 30.801 2.067 1.103 0.929 1.000 0.643 CB 1.325 15 residues pruned to eliminate duplicates Z: 13 34.137 2.161 1.028 0.918 1.000 0.833 CA 1.586 13 residues pruned to eliminate duplicates Z: 49 44.954 2.251 1.075 0.526 0.833 0.542 CB 1.626 37 residues pruned to eliminate duplicates Z: 21 17.731 2.061 0.918 0.414 0.850 0.450 CB 1.292 21 residues pruned to eliminate duplicates Z: 23 32.918 2.167 1.026 0.540 0.909 0.636 CB 1.691 23 residues pruned to eliminate duplicates Z: 16 33.906 2.210 0.916 0.828 0.933 0.600 CA 1.668 16 residues pruned to eliminate duplicates Z: 66 49.592 2.325 0.950 0.524 0.846 0.538 CB 1.566 66 residues pruned to eliminate duplicates Z: 9 9.789 2.098 0.529 0.681 0.625 0.500 CB 1.462 9 residues pruned to eliminate duplicates Z: 18 16.358 2.184 0.765 0.477 0.765 0.529 CB 1.377 18 residues pruned to eliminate duplicates Z: 28 34.075 2.179 1.074 0.638 0.889 0.704 CB 1.435 28 residues pruned to eliminate duplicates Z: 23 22.761 2.185 1.001 0.432 0.864 0.455 CB 1.379 Z: 12 21.898 2.025 0.949 0.832 0.909 0.818 CA 1.381 12 residues pruned to eliminate duplicates Z: 15 30.188 2.346 0.651 0.897 1.000 0.786 CB 1.491 15 residues pruned to eliminate duplicates Z: 6 13.610 2.379 0.331 0.631 1.000 0.800 CA 1.701 Z: 15 25.967 2.297 0.520 0.887 1.000 1.000 CA 1.434 15 residues pruned to eliminate duplicates Z: 11 13.922 2.162 0.684 0.433 0.800 0.600 CB 1.620 11 residues pruned to eliminate duplicates Z: 14 36.433 2.219 1.214 0.835 1.000 0.615 CB 1.541 14 residues pruned to eliminate duplicates Z: 16 35.223 2.305 0.659 0.883 1.000 0.800 CA 1.719 16 residues pruned to eliminate duplicates Z: 20 20.802 2.211 0.815 0.543 0.737 0.421 CB 1.548 16 residues pruned to eliminate duplicates Z: 12 12.129 1.839 0.872 0.483 0.727 0.364 N 1.486 12 residues pruned to eliminate duplicates Z: 16 33.568 2.281 0.973 0.894 0.933 0.933 CA 1.480 16 residues pruned to eliminate duplicates Z: 19 12.958 1.959 0.740 0.435 0.833 0.611 CB 1.149 6 residues pruned to eliminate duplicates Z: 41 33.149 2.306 0.942 0.421 0.775 0.475 CB 1.640 26 residues pruned to eliminate duplicates Z: 50 44.352 2.144 1.027 0.541 0.918 0.551 CB 1.524 98 residues pruned to eliminate duplicates Z: 19 19.211 2.219 0.527 0.373 0.944 0.611 CB 1.621 19 residues pruned to eliminate duplicates Z: 88 71.341 2.369 1.013 0.521 0.920 0.575 CB 1.708 88 residues pruned to eliminate duplicates Z: 23 23.038 2.068 1.032 0.462 0.864 0.591 CB 1.408 Z: 34 35.801 2.458 1.049 0.480 0.818 0.424 CB 1.544 34 residues pruned to eliminate duplicates Z: 16 41.939 2.322 0.914 0.894 1.000 0.800 CA 1.747 16 residues pruned to eliminate duplicates Z: 10 12.201 1.846 0.654 0.510 0.889 0.667 CB 1.484 11 residues pruned to eliminate duplicates Z: 11 29.180 2.111 1.370 0.872 1.000 0.600 CA 1.344 18 residues pruned to eliminate duplicates Z: 15 36.216 2.277 0.801 0.935 1.000 0.786 CA 1.645 15 residues pruned to eliminate duplicates Z: 25 11.800 1.942 0.676 0.290 0.708 0.292 CB 1.323 25 residues pruned to eliminate duplicates Z: 17 42.935 2.327 1.072 0.855 0.938 0.375 CB 1.752 17 residues pruned to eliminate duplicates Z: 34 32.886 2.226 0.912 0.471 0.818 0.424 CB 1.693 34 residues pruned to eliminate duplicates Z: 114 49.808 2.120 0.832 0.439 0.867 0.496 CB 1.482 101 residues pruned to eliminate duplicates Z: 42 47.464 2.438 1.018 0.505 0.927 0.488 CB 1.617 42 residues pruned to eliminate duplicates Z: 65 53.164 2.215 1.087 0.524 0.906 0.484 CB 1.549 90 residues pruned to eliminate duplicates Z: 20 25.216 2.293 0.744 0.522 0.895 0.684 CA 1.582 20 residues pruned to eliminate duplicates Z: 18 35.363 2.218 0.926 0.874 0.941 0.882 CA 1.553 18 residues pruned to eliminate duplicates Z: 17 41.681 2.338 1.030 0.887 0.938 0.688 CA 1.689 17 residues pruned to eliminate duplicates Z: 11 28.362 2.141 1.266 0.875 1.000 0.800 CA 1.344 11 residues pruned to eliminate duplicates Z: 6 4.996 1.806 0.111 0.547 0.800 0.800 CB 1.330 Z: 27 14.089 2.167 0.396 0.282 0.846 0.500 CB 1.381 27 residues pruned to eliminate duplicates Z: 27 35.345 2.355 0.971 0.585 0.885 0.654 CB 1.556 27 residues pruned to eliminate duplicates Z: 14 25.202 2.055 0.665 0.880 1.000 0.846 CA 1.480 14 residues pruned to eliminate duplicates Z: 24 23.199 2.043 0.874 0.560 0.870 0.478 CB 1.371 24 residues pruned to eliminate duplicates Z: 57 35.232 2.224 0.713 0.418 0.857 0.500 CB 1.570 57 residues pruned to eliminate duplicates Z: 22 18.959 2.263 0.658 0.462 0.857 0.476 CB 1.338 22 residues pruned to eliminate duplicates Z: 16 33.253 2.294 0.976 0.844 0.867 0.733 CA 1.625 16 residues pruned to eliminate duplicates Z: 9 11.965 2.024 0.609 0.747 0.750 0.625 CB 1.389 9 residues pruned to eliminate duplicates Z: 14 29.418 2.128 1.120 0.904 0.923 0.615 CB 1.396 Z: 23 36.486 2.314 1.151 0.565 0.864 0.636 CB 1.700 23 residues pruned to eliminate duplicates Z: 11 18.284 1.982 0.845 0.909 1.000 0.900 CA 1.122 11 residues pruned to eliminate duplicates Z: 8 29.972 2.433 0.898 0.894 1.000 0.857 CA 1.759 8 residues pruned to eliminate duplicates Z: 39 32.438 2.283 0.680 0.496 0.868 0.526 CB 1.587 39 residues pruned to eliminate duplicates Z: 11 10.170 1.974 0.595 0.637 0.700 0.200 CA 1.284 11 residues pruned to eliminate duplicates Z: 10 13.124 2.348 0.265 0.413 1.000 0.444 CB 1.613 10 residues pruned to eliminate duplicates Z: 19 19.098 2.070 1.008 0.660 0.778 0.389 CB 1.201 19 residues pruned to eliminate duplicates Z: 113 52.509 2.109 0.884 0.465 0.875 0.491 CB 1.480 80 residues pruned to eliminate duplicates Z: 10 12.623 2.115 0.394 0.609 0.889 0.667 CB 1.448 9 residues pruned to eliminate duplicates Z: 10 12.165 1.927 0.770 0.395 1.000 0.667 CA 1.328 Z: 22 15.207 2.373 0.388 0.342 0.857 0.524 CB 1.396 22 residues pruned to eliminate duplicates Z: 9 10.436 2.029 0.807 0.779 0.500 0.500 CB 1.574 9 residues pruned to eliminate duplicates Z: 87 41.295 2.203 0.658 0.435 0.849 0.419 CB 1.536 87 residues pruned to eliminate duplicates Z: 11 20.249 2.159 1.036 0.883 1.000 0.900 CA 1.053 11 residues pruned to eliminate duplicates Z: 47 39.573 2.420 0.999 0.496 0.783 0.522 CB 1.548 47 residues pruned to eliminate duplicates Z: 26 24.545 2.118 0.772 0.482 0.880 0.400 CB 1.513 26 residues pruned to eliminate duplicates Z: 24 14.603 1.950 0.911 0.391 0.739 0.522 CB 1.240 23 residues pruned to eliminate duplicates Z: 6 2.763 1.627 0.630 0.100 0.600 0.400 N 1.294 Z: 9 9.521 1.809 0.506 0.376 1.000 0.625 CB 1.410 Z: 9 11.795 1.734 0.364 0.863 1.000 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 8 15.706 2.004 0.661 0.851 0.857 0.571 CA 1.540 8 residues pruned to eliminate duplicates Z: 8 18.321 2.019 0.696 0.867 1.000 0.429 CA 1.479 8 residues pruned to eliminate duplicates Z: 10 20.754 1.978 1.112 0.863 1.000 0.889 CB 1.215 10 residues pruned to eliminate duplicates Z: 14 16.407 2.360 0.494 0.339 0.923 0.615 CB 1.666 14 residues pruned to eliminate duplicates Z: 20 19.368 1.965 0.921 0.476 0.842 0.632 CA 1.433 20 residues pruned to eliminate duplicates Z: 15 26.316 2.057 0.808 0.888 1.000 0.571 CA 1.363 15 residues pruned to eliminate duplicates Z: 6 10.222 2.083 0.559 0.652 0.800 0.600 CB 1.528 6 residues pruned to eliminate duplicates Z: 12 32.647 2.144 1.017 0.883 1.000 0.818 CA 1.646 12 residues pruned to eliminate duplicates Z: 33 26.483 2.176 0.854 0.407 0.844 0.469 CB 1.516 33 residues pruned to eliminate duplicates Z: 10 10.570 1.847 0.412 0.798 0.778 0.667 CA 1.337 10 residues pruned to eliminate duplicates Z: 6 7.130 1.841 0.437 0.502 1.000 0.600 CB 1.202 Z: 6 4.100 1.892 0.804 0.465 0.800 0.600 CB 0.695 Z: 13 20.146 2.243 0.802 0.495 0.917 0.750 CB 1.578 13 residues pruned to eliminate duplicates Z: 15 24.664 2.036 1.089 0.931 0.929 0.714 CB 1.166 15 residues pruned to eliminate duplicates Z: 22 25.176 2.064 1.001 0.642 0.857 0.667 CB 1.359 22 residues pruned to eliminate duplicates Z: 29 36.092 2.195 0.847 0.600 0.929 0.750 CB 1.648 29 residues pruned to eliminate duplicates Z: 33 30.195 2.283 0.630 0.556 0.812 0.531 CB 1.673 22 residues pruned to eliminate duplicates Z: 16 13.670 1.979 0.650 0.579 0.733 0.533 CB 1.365 16 residues pruned to eliminate duplicates Z: 27 38.669 2.360 1.089 0.589 0.885 0.500 CB 1.597 27 residues pruned to eliminate duplicates Z: 11 13.769 1.922 0.885 0.442 0.900 0.800 CA 1.418 10 residues pruned to eliminate duplicates Z: 9 15.480 1.990 0.744 0.840 0.875 0.375 CB 1.345 9 residues pruned to eliminate duplicates Z: 23 23.875 2.100 0.911 0.450 0.864 0.500 CB 1.547 19 residues pruned to eliminate duplicates Z: 15 30.452 2.372 0.903 0.838 0.929 0.857 CA 1.452 15 residues pruned to eliminate duplicates Z: 18 18.418 2.375 0.498 0.381 0.941 0.647 CA 1.514 18 residues pruned to eliminate duplicates Z: 8 12.129 1.818 0.468 0.888 0.857 0.857 O 1.444 8 residues pruned to eliminate duplicates Z: 14 7.648 1.866 0.495 0.419 0.769 0.385 CB 1.075 15 residues pruned to eliminate duplicates Z: 16 38.470 2.252 1.060 0.855 0.933 0.667 CA 1.693 16 residues pruned to eliminate duplicates Z: 10 8.644 1.649 0.417 0.708 0.778 0.556 CB 1.312 10 residues pruned to eliminate duplicates Z: 6 3.435 1.839 0.380 0.404 0.800 0.400 CB 0.837 Z: 17 38.195 2.316 1.059 0.856 0.875 0.562 CA 1.687 17 residues pruned to eliminate duplicates Z: 6 10.909 1.932 1.209 0.682 0.800 0.800 CB 1.209 8 residues pruned to eliminate duplicates Z: 20 28.806 2.131 0.762 0.723 0.947 0.789 CA 1.519 20 residues pruned to eliminate duplicates Z: 30 30.388 2.085 0.782 0.581 0.897 0.586 CB 1.568 24 residues pruned to eliminate duplicates Z: 15 22.328 2.277 0.822 0.528 0.857 0.643 CA 1.633 15 residues pruned to eliminate duplicates Z: 60 39.329 2.272 0.843 0.421 0.814 0.492 CB 1.633 66 residues pruned to eliminate duplicates Z: 13 8.854 1.917 0.604 0.328 0.750 0.583 CB 1.339 13 residues pruned to eliminate duplicates Z: 9 17.529 2.360 1.147 0.669 0.750 0.500 CA 1.395 9 residues pruned to eliminate duplicates Z: 16 7.489 1.828 0.569 0.243 0.733 0.400 CB 1.237 16 residues pruned to eliminate duplicates Z: 12 25.363 2.100 0.979 0.902 0.909 0.727 CB 1.444 12 residues pruned to eliminate duplicates Z: 6 8.946 1.837 0.637 0.841 1.000 0.600 CA 0.992 6 residues pruned to eliminate duplicates Z: 21 27.734 2.191 0.882 0.574 0.900 0.700 CA 1.556 21 residues pruned to eliminate duplicates Z: 6 3.753 1.666 0.993 0.297 0.600 0.400 CB 1.057 Z: 8 8.782 1.945 0.723 0.457 0.857 0.714 CA 1.207 Z: 9 16.377 1.855 0.697 0.875 1.000 0.625 CB 1.338 9 residues pruned to eliminate duplicates Z: 7 2.461 1.585 0.859 0.233 0.833 0.500 CB 0.558 Z: 62 49.845 2.409 0.896 0.473 0.869 0.525 CB 1.653 71 residues pruned to eliminate duplicates Z: 14 29.675 2.327 0.537 0.915 1.000 0.846 CB 1.626 14 residues pruned to eliminate duplicates Z: 6 7.262 1.826 0.413 0.695 0.800 0.800 CB 1.316 6 residues pruned to eliminate duplicates Z: 10 6.169 1.774 0.324 0.269 0.778 0.444 O 1.463 Z: 110 81.784 2.385 1.046 0.546 0.890 0.606 CB 1.724 110 residues pruned to eliminate duplicates Z: 14 30.995 2.109 0.999 0.919 1.000 0.769 CB 1.437 14 residues pruned to eliminate duplicates Z: 30 21.276 2.233 0.600 0.479 0.828 0.621 CB 1.364 30 residues pruned to eliminate duplicates Z: 7 8.750 1.718 0.565 0.600 1.000 0.833 CB 1.208 Z: 13 12.311 1.927 0.679 0.475 0.750 0.250 CB 1.501 13 residues pruned to eliminate duplicates Z: 7 3.589 1.582 0.273 0.245 0.833 0.333 CB 1.171 Z: 14 25.207 2.044 0.984 0.904 0.923 0.846 CB 1.330 14 residues pruned to eliminate duplicates Z: 25 27.515 2.317 1.228 0.420 0.750 0.458 CA 1.576 25 residues pruned to eliminate duplicates Z: 17 3.532 1.696 0.349 0.176 0.750 0.188 CB 0.761 Z: 6 10.990 1.688 0.651 0.780 1.000 0.800 CA 1.378 Z: 14 36.186 1.987 1.381 0.918 1.000 0.923 CB 1.496 27 residues pruned to eliminate duplicates Z: 27 25.329 2.197 0.613 0.501 0.846 0.577 CB 1.655 27 residues pruned to eliminate duplicates Z: 8 6.508 1.995 0.499 0.429 0.857 0.429 CA 1.033 8 residues pruned to eliminate duplicates Z: 16 33.439 2.245 0.816 0.837 1.000 0.800 CA 1.584 16 residues pruned to eliminate duplicates Z: 17 36.779 2.292 0.870 0.802 0.938 0.688 CB 1.758 17 residues pruned to eliminate duplicates Z: 33 26.370 2.199 0.753 0.409 0.844 0.562 CB 1.577 33 residues pruned to eliminate duplicates Z: 12 4.326 1.744 0.283 0.599 0.818 0.636 CB 0.648 Z: 17 40.957 2.291 1.093 0.897 1.000 0.750 CA 1.528 17 residues pruned to eliminate duplicates Z: 44 38.307 2.347 0.928 0.533 0.860 0.558 CB 1.452 44 residues pruned to eliminate duplicates Z: 94 86.441 2.401 1.131 0.556 0.935 0.527 CB 1.774 94 residues pruned to eliminate duplicates Z: 7 13.552 1.893 0.707 0.851 0.833 0.667 CB 1.522 7 residues pruned to eliminate duplicates Z: 14 19.149 2.007 0.989 0.504 0.846 0.462 CA 1.566 10 residues pruned to eliminate duplicates Z: 54 50.713 2.402 0.926 0.521 0.887 0.547 CB 1.664 54 residues pruned to eliminate duplicates Z: 13 25.698 2.361 0.598 0.836 1.000 0.917 CA 1.472 13 residues pruned to eliminate duplicates Z: 11 6.713 1.975 0.393 0.487 0.700 0.500 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 6.938 1.839 1.099 0.391 0.667 0.667 CA 1.235 6 residues pruned to eliminate duplicates 7 1.882 1.862 -0.240 0.341 0.667 0.333 CB 0.969 ? Z: 6 13.807 1.838 0.914 0.781 1.000 0.600 N 1.370 6 residues pruned to eliminate duplicates Z: 13 12.151 1.776 0.979 0.370 0.917 0.500 CB 1.251 13 residues pruned to eliminate duplicates Z: 15 32.006 2.092 1.130 0.919 1.000 0.857 CB 1.353 15 residues pruned to eliminate duplicates Z: 14 15.085 2.165 0.696 0.459 0.769 0.538 CB 1.545 14 residues pruned to eliminate duplicates Z: 63 58.375 2.423 1.006 0.502 0.855 0.516 CB 1.780 63 residues pruned to eliminate duplicates Z: 7 6.018 1.666 0.647 0.667 0.833 0.667 CA 0.920 7 residues pruned to eliminate duplicates Z: 10 2.861 1.836 -0.269 0.590 0.778 0.556 CB 0.839 Z: 8 15.140 1.929 0.661 0.749 1.000 0.571 CA 1.431 8 residues pruned to eliminate duplicates Z: 12 8.179 1.987 0.338 0.389 0.636 0.364 CA 1.641 12 residues pruned to eliminate duplicates Z: 31 24.304 2.052 0.827 0.579 0.800 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 7 13.309 1.945 0.409 0.839 1.000 0.500 CA 1.480 7 residues pruned to eliminate duplicates Z: 15 31.203 2.195 0.729 0.917 1.000 0.714 CB 1.552 15 residues pruned to eliminate duplicates Z: 6 16.717 2.049 0.688 0.866 1.000 1.000 CA 1.582 6 residues pruned to eliminate duplicates Z: 9 11.605 1.878 0.688 0.370 1.000 0.750 CB 1.487 Z: 15 29.690 2.025 1.063 0.901 1.000 0.571 CB 1.356 15 residues pruned to eliminate duplicates Z: 15 21.842 2.322 0.784 0.303 0.929 0.357 CB 1.889 15 residues pruned to eliminate duplicates Z: 15 19.880 1.940 0.619 0.865 1.000 0.786 CA 1.239 15 residues pruned to eliminate duplicates Z: 12 26.100 2.200 1.016 0.860 0.909 0.727 CB 1.436 12 residues pruned to eliminate duplicates Z: 9 16.261 1.884 0.427 0.898 1.000 0.625 CB 1.530 9 residues pruned to eliminate duplicates Z: 62 40.943 2.182 0.850 0.482 0.885 0.525 CB 1.494 62 residues pruned to eliminate duplicates Z: 6 10.798 1.916 1.062 0.762 0.800 0.800 CA 1.211 6 residues pruned to eliminate duplicates Z: 9 9.161 2.151 0.453 0.352 0.875 0.500 CA 1.389 9 residues pruned to eliminate duplicates Z: 6 10.135 2.091 0.901 0.628 0.800 0.800 CB 1.264 Z: 27 29.834 2.255 0.593 0.648 0.885 0.654 CB 1.604 27 residues pruned to eliminate duplicates Z: 50 20.799 2.031 0.797 0.430 0.816 0.449 CB 1.072 31 residues pruned to eliminate duplicates Z: 28 21.426 2.152 0.864 0.379 0.778 0.556 CB 1.503 28 residues pruned to eliminate duplicates Z: 9 7.826 1.809 0.168 0.447 1.000 0.375 CB 1.383 9 residues pruned to eliminate duplicates Z: 96 58.375 2.249 0.910 0.522 0.895 0.568 CB 1.524 96 residues pruned to eliminate duplicates Z: 44 54.140 2.500 1.033 0.569 0.930 0.581 CB 1.634 44 residues pruned to eliminate duplicates Z: 15 7.319 1.983 0.035 0.483 0.857 0.500 CB 1.131 Z: 11 4.462 1.634 0.537 0.192 0.700 0.500 CA 1.159 Z: 7 5.655 1.857 0.140 0.488 1.000 0.500 CB 1.104 Z: 29 37.127 2.324 1.122 0.512 0.857 0.536 CA 1.640 29 residues pruned to eliminate duplicates Z: 7 4.238 1.623 0.457 0.381 0.667 0.500 CB 1.246 Z: 65 45.200 2.182 0.842 0.482 0.906 0.422 CB 1.580 65 residues pruned to eliminate duplicates Z: 16 27.899 2.142 0.568 0.849 1.000 0.800 CA 1.590 16 residues pruned to eliminate duplicates Z: 10 18.977 2.083 1.104 0.623 0.889 0.556 CB 1.445 10 residues pruned to eliminate duplicates Z: 14 12.178 1.868 0.623 0.533 0.923 0.769 CB 1.168 14 residues pruned to eliminate duplicates Z: 11 16.390 1.881 1.153 0.401 1.000 0.700 O 1.420 11 residues pruned to eliminate duplicates Z: 26 17.302 2.048 0.802 0.381 0.720 0.480 CB 1.478 26 residues pruned to eliminate duplicates Z: 22 31.027 2.086 0.916 0.725 0.952 0.810 CB 1.452 22 residues pruned to eliminate duplicates Z: 6 7.260 2.052 0.232 0.654 1.000 0.600 CB 1.113 5 residues pruned to eliminate duplicates Z: 9 4.889 1.853 0.285 0.185 0.750 0.250 CB 1.413 Z: 13 11.516 1.994 0.544 0.439 0.917 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 15 21.209 2.042 0.791 0.899 0.929 0.929 CA 1.193 15 residues pruned to eliminate duplicates Z: 18 47.826 2.200 1.357 0.877 1.000 0.471 CA 1.625 18 residues pruned to eliminate duplicates Z: 11 3.812 1.568 0.430 0.266 0.700 0.400 CB 1.003 Z: 25 22.882 2.095 1.062 0.382 0.875 0.542 CB 1.400 25 residues pruned to eliminate duplicates Z: 23 24.235 2.096 0.345 0.744 0.955 0.636 CA 1.544 23 residues pruned to eliminate duplicates Z: 17 33.489 2.292 0.637 0.868 1.000 0.812 CA 1.631 17 residues pruned to eliminate duplicates Z: 7 7.151 1.666 0.363 0.513 1.000 0.667 CA 1.270 Z: 90 61.178 2.289 0.980 0.497 0.888 0.449 CB 1.617 90 residues pruned to eliminate duplicates Z: 10 5.173 1.801 0.666 0.374 0.667 0.333 CB 0.987 Z: 30 19.185 1.962 0.953 0.348 0.862 0.552 CB 1.272 30 residues pruned to eliminate duplicates Z: 44 40.991 2.466 0.779 0.470 0.860 0.581 CB 1.707 44 residues pruned to eliminate duplicates Z: 11 10.815 1.957 0.874 0.299 0.900 0.400 CB 1.297 11 residues pruned to eliminate duplicates Z: 6 2.179 1.313 0.325 0.562 0.600 0.600 O 0.880 6 residues pruned to eliminate duplicates Z: 23 33.195 2.235 0.956 0.519 0.909 0.727 CA 1.748 23 residues pruned to eliminate duplicates Z: 13 31.978 2.096 0.938 0.933 1.000 0.917 CA 1.586 13 residues pruned to eliminate duplicates Z: 22 21.968 2.021 0.771 0.628 0.905 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 11 7.492 1.804 0.180 0.569 0.900 0.700 CB 1.157 Z: 87 58.568 2.234 0.880 0.533 0.942 0.523 CB 1.545 87 residues pruned to eliminate duplicates Z: 6 4.916 1.787 0.519 0.453 0.600 0.600 N 1.417 Z: 7 3.537 1.553 0.696 0.376 0.667 0.333 CB 0.938 Z: 51 30.249 2.040 0.878 0.446 0.860 0.540 CB 1.372 105 residues pruned to eliminate duplicates Z: 8 18.642 2.089 0.938 0.622 1.000 0.714 CB 1.552 Z: 14 28.800 2.108 1.115 0.890 1.000 0.692 CB 1.289 14 residues pruned to eliminate duplicates Z: 33 46.165 2.428 1.068 0.556 0.906 0.531 CB 1.699 33 residues pruned to eliminate duplicates Z: 12 9.065 2.034 0.373 0.350 0.818 0.455 CB 1.407 12 residues pruned to eliminate duplicates Z: 10 15.279 1.812 0.761 0.663 1.000 0.889 CA 1.373 Z: 25 21.366 2.148 0.839 0.391 0.792 0.500 CB 1.566 28 residues pruned to eliminate duplicates 6 1.733 1.834 -0.254 0.743 0.800 0.800 CB 0.570 ? Z: 12 5.557 1.989 -0.104 0.556 0.727 0.545 CB 1.224 14 residues pruned to eliminate duplicates Z: 10 35.184 2.565 1.132 0.873 0.889 0.667 CB 1.757 10 residues pruned to eliminate duplicates Z: 67 49.290 2.200 1.045 0.465 0.894 0.485 CB 1.563 67 residues pruned to eliminate duplicates Z: 38 36.328 2.349 0.744 0.520 0.892 0.595 CB 1.603 38 residues pruned to eliminate duplicates Z: 10 11.794 2.224 0.597 0.331 0.778 0.333 CB 1.712 10 residues pruned to eliminate duplicates Z: 6 4.827 1.664 0.633 0.576 0.600 0.600 CB 1.230 Z: 6 3.796 1.467 1.068 0.519 1.000 0.600 CA 0.549 Z: 8 7.302 2.007 0.644 0.595 1.000 0.857 CB 0.764 Z: 16 37.555 2.378 0.889 0.852 0.933 0.333 CB 1.711 16 residues pruned to eliminate duplicates Z: 13 8.574 1.938 0.125 0.552 0.833 0.583 CB 1.295 15 residues pruned to eliminate duplicates Z: 7 18.017 2.019 0.957 0.879 0.833 0.500 CB 1.620 7 residues pruned to eliminate duplicates Z: 10 20.477 2.066 0.684 0.854 1.000 0.889 CB 1.449 10 residues pruned to eliminate duplicates Z: 32 32.777 2.268 0.769 0.435 0.903 0.613 CB 1.738 32 residues pruned to eliminate duplicates Z: 14 37.171 2.392 0.768 0.912 1.000 0.769 CA 1.727 14 residues pruned to eliminate duplicates Z: 7 22.927 1.986 1.097 0.892 1.000 0.500 CA 1.614 7 residues pruned to eliminate duplicates Z: 16 20.074 2.059 0.888 0.481 0.867 0.667 CB 1.568 16 residues pruned to eliminate duplicates Z: 8 18.992 2.294 0.994 0.710 0.714 0.571 CA 1.816 8 residues pruned to eliminate duplicates Z: 9 11.209 1.711 1.092 0.610 0.750 0.625 CB 1.330 Z: 11 13.109 1.894 0.607 0.560 1.000 0.700 CA 1.285 11 residues pruned to eliminate duplicates Z: 10 3.396 1.476 0.088 0.261 1.000 0.333 CB 0.926 10 residues pruned to eliminate duplicates Z: 41 38.517 2.266 0.935 0.499 0.900 0.625 CB 1.545 41 residues pruned to eliminate duplicates Z: 12 31.309 2.322 0.648 0.903 1.000 1.000 CA 1.758 12 residues pruned to eliminate duplicates Z: 16 18.591 2.197 0.473 0.571 0.867 0.400 CB 1.598 16 residues pruned to eliminate duplicates Z: 28 17.456 2.047 0.533 0.437 0.852 0.481 CB 1.342 28 residues pruned to eliminate duplicates Z: 8 10.277 1.710 0.789 0.594 0.857 0.714 CB 1.353 8 residues pruned to eliminate duplicates Z: 15 14.451 1.857 1.044 0.460 0.786 0.571 CB 1.349 Z: 6 8.041 1.828 0.608 0.677 0.800 0.600 CB 1.299 6 residues pruned to eliminate duplicates Z: 45 35.707 2.258 0.833 0.472 0.886 0.591 CB 1.510 45 residues pruned to eliminate duplicates Z: 17 21.937 2.210 0.895 0.488 0.875 0.625 CB 1.515 17 residues pruned to eliminate duplicates Z: 12 23.849 2.106 1.056 0.823 0.818 0.636 CA 1.534 12 residues pruned to eliminate duplicates Z: 7 4.200 1.690 0.796 0.243 1.000 0.500 CB 0.760 Z: 38 41.730 2.350 1.061 0.515 0.946 0.649 CB 1.476 38 residues pruned to eliminate duplicates Z: 16 44.751 2.352 1.019 0.868 1.000 0.867 CB 1.779 16 residues pruned to eliminate duplicates Z: 17 24.155 2.110 0.761 0.788 0.875 0.562 CA 1.442 17 residues pruned to eliminate duplicates Z: 17 28.835 2.175 1.163 0.699 0.875 0.438 CB 1.460 17 residues pruned to eliminate duplicates Z: 8 16.699 2.105 0.827 0.829 0.857 0.714 CA 1.441 8 residues pruned to eliminate duplicates Z: 21 17.930 2.214 0.655 0.423 0.950 0.650 CB 1.248 21 residues pruned to eliminate duplicates Z: 8 14.450 2.062 1.060 0.433 0.857 0.571 CA 1.607 8 residues pruned to eliminate duplicates Z: 6 10.878 2.046 0.318 0.863 1.000 0.600 CB 1.323 6 residues pruned to eliminate duplicates Z: 16 10.618 1.816 0.794 0.420 0.733 0.533 N 1.247 16 residues pruned to eliminate duplicates Z: 40 38.917 2.296 0.788 0.535 0.897 0.590 CB 1.635 40 residues pruned to eliminate duplicates Z: 16 29.444 2.184 0.683 0.845 0.933 0.667 CA 1.648 16 residues pruned to eliminate duplicates Z: 33 40.971 2.273 1.081 0.564 0.906 0.688 CB 1.588 33 residues pruned to eliminate duplicates Z: 21 12.426 2.234 0.332 0.356 0.800 0.450 CB 1.364 21 residues pruned to eliminate duplicates Z: 26 14.032 2.047 0.685 0.291 0.720 0.400 CB 1.429 26 residues pruned to eliminate duplicates Z: 11 13.310 2.048 0.551 0.472 1.000 0.900 CA 1.363 9 residues pruned to eliminate duplicates Z: 27 31.284 2.233 0.813 0.618 0.923 0.769 CB 1.469 27 residues pruned to eliminate duplicates Z: 37 35.156 2.242 0.854 0.485 0.861 0.361 CB 1.663 37 residues pruned to eliminate duplicates Z: 15 14.423 2.088 1.061 0.364 0.786 0.571 CB 1.320 15 residues pruned to eliminate duplicates Z: 27 40.324 2.547 1.008 0.545 0.923 0.615 CB 1.602 27 residues pruned to eliminate duplicates Z: 9 12.938 1.947 0.577 0.873 0.750 0.500 CB 1.447 9 residues pruned to eliminate duplicates Z: 19 22.165 2.166 0.873 0.522 0.833 0.722 CB 1.511 19 residues pruned to eliminate duplicates Z: 15 25.121 2.000 0.904 0.860 0.929 0.714 CB 1.396 15 residues pruned to eliminate duplicates Z: 9 3.467 1.480 0.182 0.331 0.750 0.500 CB 1.124 Z: 9 11.912 1.895 0.400 0.440 1.000 0.500 O 1.689 Z: 12 21.065 2.051 0.667 0.857 1.000 0.818 CB 1.369 12 residues pruned to eliminate duplicates Z: 8 8.556 1.712 0.930 0.598 0.714 0.714 CA 1.249 6 residues pruned to eliminate duplicates Z: 10 9.393 1.766 0.649 0.449 0.889 0.444 CB 1.275 10 residues pruned to eliminate duplicates Z: 15 14.888 1.996 0.967 0.443 0.786 0.643 CB 1.368 Z: 16 40.440 2.369 0.970 0.832 0.933 0.600 CA 1.799 16 residues pruned to eliminate duplicates 6 1.780 1.384 0.122 0.462 0.600 0.600 CB 0.889 ? Z: 56 42.739 2.284 0.793 0.520 0.855 0.473 CB 1.615 56 residues pruned to eliminate duplicates Z: 32 27.728 2.296 0.565 0.491 0.839 0.548 CA 1.668 32 residues pruned to eliminate duplicates Z: 6 5.651 1.607 0.803 0.430 0.800 0.400 O 1.172 4 residues pruned to eliminate duplicates Z: 46 41.544 2.293 0.974 0.522 0.911 0.444 CB 1.470 46 residues pruned to eliminate duplicates Z: 9 13.116 1.965 1.109 0.368 0.875 0.625 CB 1.473 Z: 11 5.872 1.780 0.103 0.411 0.800 0.300 N 1.299 Z: 14 7.533 2.173 0.289 0.341 0.846 0.538 CB 1.048 14 residues pruned to eliminate duplicates Z: 18 25.519 2.184 1.183 0.683 0.882 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 46 40.798 2.250 0.945 0.448 0.844 0.422 CB 1.737 46 residues pruned to eliminate duplicates Z: 16 36.414 2.241 1.308 0.925 1.000 0.467 CB 1.276 16 residues pruned to eliminate duplicates Z: 7 10.601 1.590 0.719 0.875 1.000 0.833 CB 1.152 Z: 8 3.567 1.853 0.509 0.303 0.714 0.286 CB 0.840 Z: 24 24.889 2.241 0.953 0.354 0.826 0.435 CB 1.680 24 residues pruned to eliminate duplicates Z: 28 24.007 2.241 0.883 0.445 0.815 0.556 CB 1.421 28 residues pruned to eliminate duplicates Z: 20 7.893 1.967 0.528 0.342 0.632 0.316 CB 1.133 8 residues pruned to eliminate duplicates Z: 22 13.852 1.918 0.397 0.402 0.905 0.476 CB 1.382 23 residues pruned to eliminate duplicates Z: 15 12.287 2.174 0.474 0.311 0.857 0.571 CB 1.475 Z: 10 8.007 1.793 0.705 0.325 0.667 0.333 N 1.589 10 residues pruned to eliminate duplicates Z: 15 17.217 2.227 0.770 0.476 0.786 0.571 CB 1.523 15 residues pruned to eliminate duplicates Z: 20 35.920 2.264 1.126 0.572 0.947 0.737 CB 1.685 19 residues pruned to eliminate duplicates Z: 6 6.049 1.880 0.399 0.451 0.800 0.600 O 1.353 6 residues pruned to eliminate duplicates Z: 31 34.058 2.463 0.847 0.515 0.867 0.533 CB 1.553 31 residues pruned to eliminate duplicates Z: 26 31.006 2.271 1.009 0.437 0.920 0.520 CB 1.576 26 residues pruned to eliminate duplicates Z: 78 68.731 2.371 1.053 0.516 0.909 0.584 CB 1.741 78 residues pruned to eliminate duplicates Z: 24 10.931 2.126 0.596 0.282 0.739 0.391 CB 1.163 24 residues pruned to eliminate duplicates Z: 95 61.710 2.262 0.883 0.552 0.904 0.521 CB 1.571 95 residues pruned to eliminate duplicates Z: 10 9.785 1.922 0.712 0.543 0.778 0.222 CB 1.221 10 residues pruned to eliminate duplicates Z: 15 7.986 1.793 0.557 0.459 0.857 0.500 CB 0.929 15 residues pruned to eliminate duplicates Z: 8 5.811 1.953 0.381 0.299 0.571 0.429 CB 1.784 Z: 60 47.886 2.238 0.964 0.501 0.915 0.525 CB 1.548 60 residues pruned to eliminate duplicates Z: 15 11.074 1.981 0.637 0.343 0.786 0.500 CB 1.378 15 residues pruned to eliminate duplicates Z: 18 20.948 2.093 0.870 0.526 0.941 0.588 CB 1.345 18 residues pruned to eliminate duplicates Z: 11 4.639 1.990 0.022 0.258 0.700 0.500 CA 1.359 11 residues pruned to eliminate duplicates Z: 54 40.788 2.264 0.848 0.483 0.906 0.660 CB 1.504 60 residues pruned to eliminate duplicates Z: 16 37.901 2.315 1.028 0.861 0.867 0.667 CA 1.768 16 residues pruned to eliminate duplicates Z: 7 5.526 1.701 0.143 0.483 0.833 0.333 C 1.417 7 residues pruned to eliminate duplicates Z: 18 36.962 2.357 1.099 0.539 0.941 0.706 CA 1.852 18 residues pruned to eliminate duplicates Z: 7 17.203 2.011 0.527 0.895 1.000 0.833 CB 1.639 7 residues pruned to eliminate duplicates Z: 12 2.394 1.672 0.047 0.318 0.909 0.455 CB 0.554 12 residues pruned to eliminate duplicates Z: 9 4.528 1.490 0.153 0.367 0.875 0.500 O 1.227 Z: 6 5.724 1.353 0.904 0.807 1.000 0.800 CA 0.761 Z: 7 2.501 1.531 0.510 0.254 0.500 0.333 N 1.172 Z: 85 68.580 2.282 1.002 0.559 0.952 0.667 CB 1.624 85 residues pruned to eliminate duplicates Z: 17 28.555 2.133 0.667 0.872 1.000 0.625 CA 1.464 17 residues pruned to eliminate duplicates Z: 8 3.481 1.665 0.929 0.318 0.571 0.429 CB 0.876 Z: 8 16.990 1.892 0.627 0.907 1.000 0.714 CA 1.483 8 residues pruned to eliminate duplicates Z: 7 6.767 1.353 0.712 0.717 1.000 0.667 C 0.980 7 residues pruned to eliminate duplicates Z: 19 21.741 1.954 0.588 0.644 0.944 0.722 CB 1.529 19 residues pruned to eliminate duplicates Z: 59 47.781 2.269 1.068 0.459 0.828 0.448 CA 1.684 59 residues pruned to eliminate duplicates Z: 32 35.197 2.230 0.986 0.538 0.935 0.613 CB 1.470 32 residues pruned to eliminate duplicates Z: 12 6.017 1.651 0.717 0.395 0.727 0.545 CB 0.983 Z: 45 18.765 1.887 0.759 0.323 0.795 0.409 CB 1.302 45 residues pruned to eliminate duplicates Z: 13 37.428 2.326 1.175 0.805 1.000 0.583 CA 1.637 13 residues pruned to eliminate duplicates Z: 15 31.656 2.167 1.010 0.883 1.000 0.643 CA 1.404 15 residues pruned to eliminate duplicates Z: 12 13.727 2.193 0.636 0.387 0.909 0.818 CB 1.431 12 residues pruned to eliminate duplicates Z: 14 10.174 2.023 0.298 0.372 0.846 0.308 CB 1.456 14 residues pruned to eliminate duplicates Z: 8 15.558 1.870 0.764 0.883 0.857 0.714 CB 1.504 8 residues pruned to eliminate duplicates Z: 6 2.267 1.488 0.267 0.359 1.000 0.600 CB 0.626 Z: 9 6.617 1.873 0.070 0.641 0.875 0.625 CB 1.170 7 residues pruned to eliminate duplicates Z: 16 29.009 2.342 0.761 0.848 0.933 0.667 CA 1.443 16 residues pruned to eliminate duplicates Z: 9 10.107 1.564 0.840 0.599 0.875 0.750 N 1.291 9 residues pruned to eliminate duplicates Z: 9 6.677 1.988 0.238 0.330 0.750 0.500 CB 1.541 9 residues pruned to eliminate duplicates Z: 11 12.420 2.037 0.592 0.456 0.900 0.800 CB 1.409 11 residues pruned to eliminate duplicates Z: 12 17.608 1.936 0.877 0.853 0.818 0.455 CB 1.319 12 residues pruned to eliminate duplicates Z: 6 2.346 1.600 -0.287 0.510 0.800 0.600 CB 1.138 5 residues pruned to eliminate duplicates Z: 6 3.888 1.950 0.321 0.316 0.600 0.600 CB 1.379 Z: 12 60.948 2.590 1.535 0.943 1.000 0.455 CB 1.940 12 residues pruned to eliminate duplicates Z: 17 42.092 2.371 0.967 0.891 1.000 0.875 CA 1.622 17 residues pruned to eliminate duplicates Z: 30 27.371 2.042 0.804 0.532 0.862 0.655 CB 1.551 30 residues pruned to eliminate duplicates Z: 12 12.298 2.008 0.662 0.556 0.909 0.636 CB 1.157 Z: 18 23.390 2.188 0.999 0.556 0.882 0.412 CB 1.392 18 residues pruned to eliminate duplicates Z: 6 3.127 1.321 0.566 0.300 0.800 0.400 N 1.057 Z: 17 23.254 2.105 0.980 0.506 0.938 0.500 CB 1.479 17 residues pruned to eliminate duplicates Z: 21 22.007 2.048 0.862 0.473 0.800 0.350 CA 1.659 21 residues pruned to eliminate duplicates Z: 20 16.481 1.955 0.698 0.504 0.789 0.526 CB 1.436 20 residues pruned to eliminate duplicates Z: 6 3.436 1.830 0.082 0.601 0.800 0.600 CB 0.881 Z: 53 52.750 2.287 1.181 0.505 0.962 0.558 CB 1.518 53 residues pruned to eliminate duplicates Z: 18 10.302 1.799 0.524 0.380 0.824 0.529 CB 1.259 13 residues pruned to eliminate duplicates Z: 17 31.161 2.254 0.944 0.871 0.875 0.812 CA 1.482 17 residues pruned to eliminate duplicates 6 1.295 1.606 0.399 0.362 0.600 0.400 CB 0.499 ? Z: 7 7.678 1.651 0.695 0.379 1.000 0.833 O 1.275 8 residues pruned to eliminate duplicates Z: 6 11.806 2.085 0.386 0.811 0.800 0.600 CA 1.740 6 residues pruned to eliminate duplicates Z: 20 17.755 2.249 0.731 0.261 0.895 0.421 CB 1.536 20 residues pruned to eliminate duplicates Z: 12 19.058 1.965 0.636 0.847 0.909 0.909 CB 1.459 12 residues pruned to eliminate duplicates Z: 72 51.831 2.304 0.840 0.462 0.873 0.549 CB 1.726 72 residues pruned to eliminate duplicates Z: 61 51.013 2.287 0.923 0.520 0.900 0.600 CB 1.632 61 residues pruned to eliminate duplicates Z: 15 34.377 2.279 0.980 0.885 1.000 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 9 6.647 1.791 0.520 0.509 0.750 0.625 CB 1.141 Z: 39 41.210 2.232 1.005 0.495 0.921 0.684 CB 1.630 39 residues pruned to eliminate duplicates Z: 7 14.036 1.940 0.574 0.899 1.000 0.833 CB 1.341 7 residues pruned to eliminate duplicates Z: 12 9.011 1.653 0.500 0.429 0.909 0.636 CB 1.298 11 residues pruned to eliminate duplicates Z: 66 55.236 2.333 0.961 0.519 0.938 0.462 CB 1.567 66 residues pruned to eliminate duplicates Z: 31 21.064 2.043 0.625 0.469 0.833 0.533 CB 1.435 31 residues pruned to eliminate duplicates Z: 10 8.272 2.069 0.395 0.429 0.889 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 23 19.389 2.227 0.689 0.467 0.864 0.636 CB 1.317 23 residues pruned to eliminate duplicates Z: 6 6.532 1.877 -0.121 0.748 1.000 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 8 4.428 1.658 0.233 0.364 0.714 0.429 CB 1.327 Z: 6 7.865 2.127 0.543 0.441 0.800 0.600 CB 1.423 6 residues pruned to eliminate duplicates Z: 9 4.453 1.712 0.302 0.477 0.625 0.625 CB 1.157 5 residues pruned to eliminate duplicates Z: 26 24.047 1.958 0.742 0.622 0.880 0.560 CB 1.428 26 residues pruned to eliminate duplicates Z: 6 18.899 2.405 1.055 0.805 1.000 0.600 CA 1.310 6 residues pruned to eliminate duplicates Z: 20 18.582 2.311 0.475 0.533 0.737 0.368 CB 1.642 20 residues pruned to eliminate duplicates Z: 102 76.813 2.390 1.127 0.517 0.832 0.495 CB 1.777 102 residues pruned to eliminate duplicates Z: 16 22.356 2.367 0.677 0.403 0.933 0.600 CB 1.726 16 residues pruned to eliminate duplicates Z: 90 52.628 2.207 0.811 0.511 0.899 0.584 CB 1.536 124 residues pruned to eliminate duplicates Z: 17 38.606 2.282 1.039 0.906 0.938 0.875 CB 1.574 17 residues pruned to eliminate duplicates Z: 7 5.051 1.710 0.736 0.291 0.667 0.500 O 1.317 Z: 27 39.749 2.287 0.916 0.698 1.000 0.692 CB 1.486 27 residues pruned to eliminate duplicates Z: 18 18.317 2.225 0.542 0.322 0.941 0.412 CB 1.674 18 residues pruned to eliminate duplicates Z: 32 36.038 2.180 0.876 0.591 0.903 0.613 CB 1.606 32 residues pruned to eliminate duplicates Z: 68 47.283 2.269 0.778 0.446 0.910 0.493 CB 1.662 68 residues pruned to eliminate duplicates Z: 18 19.762 2.230 0.699 0.420 0.882 0.706 CB 1.558 18 residues pruned to eliminate duplicates Z: 6 2.477 1.603 -0.093 0.399 0.800 0.600 N 1.060 Z: 48 31.023 2.217 0.546 0.403 0.915 0.489 CB 1.599 48 residues pruned to eliminate duplicates Z: 9 4.403 1.703 0.454 0.286 0.750 0.375 N 1.066 5 residues pruned to eliminate duplicates Z: 7 5.144 1.680 0.278 0.420 0.833 0.333 CB 1.276 Z: 68 52.390 2.313 0.951 0.519 0.896 0.612 CB 1.555 68 residues pruned to eliminate duplicates Z: 25 26.044 2.261 0.869 0.343 0.917 0.542 CB 1.629 25 residues pruned to eliminate duplicates Z: 14 22.714 2.088 0.704 0.891 1.000 1.000 CA 1.273 14 residues pruned to eliminate duplicates Z: 7 7.015 2.008 0.359 0.444 0.833 0.500 CB 1.333 Z: 14 17.851 1.816 0.951 0.492 0.923 0.538 CB 1.526 14 residues pruned to eliminate duplicates Z: 10 11.016 1.845 0.817 0.523 0.778 0.667 CA 1.377 10 residues pruned to eliminate duplicates Z: 9 16.668 1.974 0.814 0.576 0.875 0.750 CA 1.747 18 residues pruned to eliminate duplicates Z: 31 26.415 2.160 0.747 0.461 0.833 0.533 CB 1.596 31 residues pruned to eliminate duplicates Z: 13 4.412 1.798 0.089 0.343 0.917 0.500 CB 0.841 13 residues pruned to eliminate duplicates Z: 8 7.645 1.707 0.386 0.687 0.857 0.714 CB 1.200 Z: 8 7.118 1.704 0.640 0.440 0.857 0.571 N 1.195 Z: 7 7.035 1.588 0.330 0.560 1.000 0.667 CB 1.284 Z: 24 26.308 2.313 0.693 0.443 0.957 0.652 CB 1.553 24 residues pruned to eliminate duplicates Z: 21 14.144 1.898 0.560 0.515 0.800 0.500 CB 1.316 21 residues pruned to eliminate duplicates Z: 13 16.797 1.991 0.992 0.821 0.833 0.417 CB 1.111 13 residues pruned to eliminate duplicates Z: 9 6.210 1.843 0.422 0.224 0.875 0.625 CB 1.321 8 residues pruned to eliminate duplicates Z: 27 37.846 2.431 0.922 0.567 0.846 0.500 CB 1.760 27 residues pruned to eliminate duplicates Z: 40 44.759 2.301 1.107 0.551 0.872 0.462 CB 1.613 40 residues pruned to eliminate duplicates Z: 8 4.541 1.881 0.221 0.531 0.857 0.714 CB 0.846 Z: 32 36.079 2.314 1.022 0.449 0.935 0.419 CB 1.560 32 residues pruned to eliminate duplicates Z: 29 35.636 2.305 0.958 0.533 0.929 0.643 CB 1.556 29 residues pruned to eliminate duplicates Z: 10 4.662 1.843 -0.032 0.344 0.778 0.667 CB 1.326 Z: 6 3.273 1.289 0.180 0.482 1.000 0.600 N 0.980 Z: 14 18.002 2.170 0.846 0.809 0.769 0.462 CB 1.238 14 residues pruned to eliminate duplicates Z: 13 15.834 1.906 1.069 0.545 0.833 0.583 N 1.331 Z: 17 11.414 1.930 0.401 0.438 0.812 0.438 CB 1.384 17 residues pruned to eliminate duplicates Z: 29 44.159 2.560 1.171 0.520 0.857 0.536 CB 1.719 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.069 1.860 0.366 0.332 0.800 0.600 CB 1.341 6 residues pruned to eliminate duplicates Z: 8 11.986 2.086 0.817 0.600 0.857 0.571 CB 1.268 8 residues pruned to eliminate duplicates Z: 7 6.930 2.100 0.367 0.606 1.000 0.833 CB 0.892 Z: 7 3.899 1.401 0.424 0.393 1.000 0.833 CA 0.894 Z: 6 5.280 1.782 0.609 0.368 1.000 0.800 CA 0.949 Z: 7 5.390 1.782 0.958 0.407 0.833 0.833 CB 0.835 7 residues pruned to eliminate duplicates Z: 6 12.469 2.019 0.986 0.479 1.000 0.800 CB 1.420 6 residues pruned to eliminate duplicates Z: 23 12.744 1.870 0.739 0.485 0.864 0.591 CB 0.983 23 residues pruned to eliminate duplicates Z: 43 35.733 2.194 1.012 0.476 0.857 0.476 CB 1.494 43 residues pruned to eliminate duplicates Z: 8 6.991 2.065 0.575 0.352 0.714 0.143 CA 1.335 8 residues pruned to eliminate duplicates Z: 6 10.167 1.992 0.289 0.789 1.000 1.000 CB 1.374 7 residues pruned to eliminate duplicates Z: 6 2.503 1.342 0.977 0.329 0.600 0.400 N 0.849 6 residues pruned to eliminate duplicates Z: 6 2.681 1.413 0.057 0.436 0.800 0.400 CB 1.072 Z: 8 11.126 1.970 0.807 0.700 0.857 0.714 CA 1.148 8 residues pruned to eliminate duplicates Z: 7 6.369 1.762 0.436 0.563 1.000 1.000 CB 0.967 Z: 6 5.998 1.707 0.773 0.441 0.800 0.400 O 1.178 7 residues pruned to eliminate duplicates Z: 6 6.441 1.921 0.534 0.493 0.800 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 19 15.172 2.199 0.831 0.381 0.833 0.500 CB 1.210 19 residues pruned to eliminate duplicates Z: 43 31.748 2.320 0.823 0.419 0.810 0.524 CB 1.557 43 residues pruned to eliminate duplicates Z: 17 19.314 2.328 0.637 0.515 0.875 0.625 CB 1.426 17 residues pruned to eliminate duplicates Z: 6 4.382 1.908 0.393 0.355 1.000 0.800 CA 0.863 6 residues pruned to eliminate duplicates Z: 22 17.947 2.288 0.527 0.412 0.905 0.667 CB 1.357 22 residues pruned to eliminate duplicates Z: 21 16.915 2.138 0.497 0.463 0.900 0.550 CB 1.364 21 residues pruned to eliminate duplicates Z: 37 25.912 2.201 0.839 0.434 0.833 0.500 CB 1.371 21 residues pruned to eliminate duplicates Z: 6 3.804 1.779 0.824 0.433 0.600 0.200 N 0.937 6 residues pruned to eliminate duplicates Z: 18 18.069 2.324 0.614 0.460 0.824 0.412 CB 1.477 18 residues pruned to eliminate duplicates Z: 40 32.248 2.280 0.755 0.433 0.872 0.615 CB 1.587 21 residues pruned to eliminate duplicates Z: 6 2.620 1.258 0.628 0.247 0.800 0.400 O 0.957 Z: 6 6.377 1.890 0.553 0.355 0.800 0.400 CA 1.421 12 residues pruned to eliminate duplicates Z: 38 35.926 2.351 0.684 0.501 0.919 0.622 CB 1.622 39 residues pruned to eliminate duplicates Z: 7 5.887 1.950 1.078 0.340 0.833 0.167 CA 0.848 7 residues pruned to eliminate duplicates Z: 22 31.281 2.290 0.907 0.457 0.905 0.619 CB 1.806 22 residues pruned to eliminate duplicates Z: 87 52.302 2.310 0.896 0.447 0.837 0.488 CB 1.625 87 residues pruned to eliminate duplicates Z: 106 55.480 2.229 0.827 0.457 0.848 0.505 CB 1.638 125 residues pruned to eliminate duplicates Z: 6 2.581 1.593 1.004 0.305 1.000 0.800 CA 0.449 6 residues pruned to eliminate duplicates Z: 24 30.430 2.367 0.966 0.434 0.826 0.522 CB 1.766 24 residues pruned to eliminate duplicates Z: 38 30.127 2.281 0.953 0.417 0.811 0.595 CB 1.495 38 residues pruned to eliminate duplicates Z: 41 38.022 2.292 0.884 0.444 0.900 0.550 CB 1.638 41 residues pruned to eliminate duplicates Z: 42 41.847 2.348 1.087 0.468 0.829 0.488 CB 1.662 42 residues pruned to eliminate duplicates Z: 25 32.070 2.327 1.080 0.396 0.875 0.500 CB 1.725 25 residues pruned to eliminate duplicates Z: 22 33.171 2.363 1.119 0.433 0.857 0.571 CB 1.808 22 residues pruned to eliminate duplicates Z: 59 50.174 2.402 1.016 0.464 0.845 0.569 CB 1.671 59 residues pruned to eliminate duplicates Z: 38 37.439 2.338 0.828 0.498 0.946 0.703 CB 1.526 38 residues pruned to eliminate duplicates Z: 28 23.834 2.179 0.725 0.444 0.815 0.556 CB 1.587 28 residues pruned to eliminate duplicates Z: 16 7.847 2.045 0.318 0.281 0.667 0.467 CB 1.444 16 residues pruned to eliminate duplicates Z: 20 31.519 2.341 0.988 0.495 0.895 0.579 CB 1.746 20 residues pruned to eliminate duplicates Z: 27 23.871 2.264 0.892 0.433 0.769 0.500 CB 1.522 27 residues pruned to eliminate duplicates Z: 29 24.960 2.293 0.810 0.388 0.786 0.500 CB 1.629 29 residues pruned to eliminate duplicates Z: 23 27.929 2.318 0.832 0.606 0.773 0.455 CB 1.641 23 residues pruned to eliminate duplicates Z: 8 6.786 2.116 0.460 0.322 0.714 0.286 CA 1.415 Z: 18 27.736 2.352 0.865 0.651 0.882 0.588 CB 1.510 26 residues pruned to eliminate duplicates Z: 60 43.955 2.294 0.875 0.508 0.898 0.559 CB 1.469 60 residues pruned to eliminate duplicates Z: 78 62.806 2.424 0.999 0.484 0.922 0.597 CB 1.627 78 residues pruned to eliminate duplicates Z: 43 43.075 2.353 0.933 0.547 0.905 0.500 CB 1.543 43 residues pruned to eliminate duplicates Z: 26 25.597 2.186 0.787 0.616 0.880 0.600 CB 1.335 26 residues pruned to eliminate duplicates Z: 45 33.956 2.402 0.659 0.504 0.841 0.523 CB 1.521 45 residues pruned to eliminate duplicates Z: 40 38.835 2.388 0.948 0.520 0.846 0.513 CB 1.548 40 residues pruned to eliminate duplicates Z: 118 60.756 2.274 0.832 0.470 0.872 0.487 CB 1.595 118 residues pruned to eliminate duplicates Z: 150 69.863 2.254 0.860 0.462 0.879 0.477 CB 1.615 150 residues pruned to eliminate duplicates Z: 27 29.422 2.271 0.691 0.624 0.923 0.731 CB 1.448 27 residues pruned to eliminate duplicates Z: 40 38.935 2.307 0.859 0.527 0.897 0.641 CB 1.578 40 residues pruned to eliminate duplicates Z: 58 51.696 2.326 0.924 0.522 0.947 0.596 CB 1.580 58 residues pruned to eliminate duplicates Z: 24 33.329 2.207 0.894 0.688 0.957 0.696 CB 1.463 24 residues pruned to eliminate duplicates Z: 89 53.970 2.318 0.871 0.473 0.864 0.568 CB 1.579 89 residues pruned to eliminate duplicates Z: 39 43.648 2.423 0.896 0.567 0.921 0.605 CB 1.569 39 residues pruned to eliminate duplicates Z: 63 48.345 2.299 0.863 0.512 0.871 0.516 CB 1.627 63 residues pruned to eliminate duplicates Z: 39 44.522 2.346 0.929 0.570 0.895 0.605 CB 1.667 39 residues pruned to eliminate duplicates Z: 67 44.116 2.312 0.842 0.486 0.818 0.545 CB 1.581 67 residues pruned to eliminate duplicates Z: 113 60.637 2.315 0.791 0.456 0.884 0.500 CB 1.636 113 residues pruned to eliminate duplicates Z: 54 43.976 2.321 1.010 0.510 0.811 0.472 CB 1.580 54 residues pruned to eliminate duplicates Z: 129 59.217 2.232 0.728 0.459 0.914 0.438 CB 1.549 129 residues pruned to eliminate duplicates Z: 89 58.808 2.357 0.808 0.495 0.898 0.455 CB 1.648 89 residues pruned to eliminate duplicates Z: 81 43.370 2.257 0.738 0.420 0.825 0.438 CB 1.629 81 residues pruned to eliminate duplicates Z: 48 51.678 2.388 1.030 0.566 0.872 0.596 CB 1.672 48 residues pruned to eliminate duplicates Z: 62 44.718 2.305 0.812 0.542 0.869 0.475 CB 1.514 62 residues pruned to eliminate duplicates Z: 41 43.998 2.397 0.973 0.549 0.850 0.500 CB 1.650 41 residues pruned to eliminate duplicates Z: 154 72.405 2.304 0.860 0.483 0.856 0.549 CB 1.623 154 residues pruned to eliminate duplicates Z: 44 44.241 2.354 0.982 0.519 0.907 0.512 CB 1.564 44 residues pruned to eliminate duplicates Z: 47 42.753 2.286 0.975 0.448 0.891 0.565 CB 1.653 47 residues pruned to eliminate duplicates Z: 67 49.106 2.306 0.968 0.486 0.848 0.485 CB 1.593 67 residues pruned to eliminate duplicates Z: 47 47.701 2.338 1.020 0.507 0.891 0.522 CB 1.659 47 residues pruned to eliminate duplicates Z: 67 57.103 2.354 1.072 0.516 0.879 0.561 CB 1.614 67 residues pruned to eliminate duplicates Z: 55 46.416 2.332 0.917 0.492 0.889 0.537 CB 1.602 55 residues pruned to eliminate duplicates Z: 65 57.837 2.377 1.006 0.496 0.922 0.547 CB 1.651 65 residues pruned to eliminate duplicates Z: 46 42.171 2.262 0.991 0.454 0.889 0.578 CB 1.645 46 residues pruned to eliminate duplicates Z: 49 49.450 2.362 0.967 0.527 0.917 0.583 CB 1.632 49 residues pruned to eliminate duplicates Z: 91 58.702 2.311 0.955 0.471 0.867 0.522 CB 1.628 91 residues pruned to eliminate duplicates Z: 96 51.752 2.270 0.778 0.444 0.874 0.463 CB 1.595 96 residues pruned to eliminate duplicates Z: 71 55.425 2.334 0.930 0.498 0.929 0.500 CB 1.587 71 residues pruned to eliminate duplicates Z: 62 57.790 2.319 0.967 0.536 0.951 0.541 CB 1.646 62 residues pruned to eliminate duplicates Z: 124 61.829 2.259 0.803 0.456 0.894 0.585 CB 1.601 124 residues pruned to eliminate duplicates Z: 86 62.667 2.310 0.969 0.519 0.894 0.612 CB 1.640 86 residues pruned to eliminate duplicates Z: 83 46.494 2.212 0.661 0.452 0.902 0.524 CB 1.626 83 residues pruned to eliminate duplicates Z: 162 78.377 2.301 0.814 0.521 0.894 0.584 CB 1.620 162 residues pruned to eliminate duplicates Z: 101 63.491 2.324 0.896 0.506 0.900 0.510 CB 1.592 101 residues pruned to eliminate duplicates Z: 112 62.824 2.278 0.854 0.503 0.901 0.577 CB 1.563 112 residues pruned to eliminate duplicates Z: 87 55.239 2.286 0.954 0.493 0.872 0.465 CB 1.541 87 residues pruned to eliminate duplicates Z: 97 66.619 2.341 1.007 0.509 0.896 0.500 CB 1.601 97 residues pruned to eliminate duplicates Z: 83 63.234 2.347 1.068 0.530 0.878 0.549 CB 1.590 83 residues pruned to eliminate duplicates Z: 104 55.112 2.232 0.741 0.499 0.913 0.466 CB 1.533 104 residues pruned to eliminate duplicates Z: 74 43.640 2.260 0.718 0.452 0.890 0.493 CB 1.552 74 residues pruned to eliminate duplicates Z: 26 27.772 2.243 0.873 0.544 0.840 0.520 CB 1.507 26 residues pruned to eliminate duplicates Z: 69 54.692 2.291 0.913 0.524 0.941 0.559 CB 1.570 69 residues pruned to eliminate duplicates Z: 76 49.818 2.286 0.748 0.485 0.907 0.467 CB 1.613 76 residues pruned to eliminate duplicates Z: 97 61.179 2.326 0.874 0.522 0.896 0.479 CB 1.564 97 residues pruned to eliminate duplicates Z: 82 46.207 2.211 0.751 0.465 0.889 0.395 CB 1.546 82 residues pruned to eliminate duplicates Z: 62 53.443 2.304 0.972 0.529 0.951 0.475 CB 1.539 62 residues pruned to eliminate duplicates Z: 62 51.762 2.339 0.919 0.545 0.885 0.639 CB 1.595 62 residues pruned to eliminate duplicates Z: 119 65.126 2.260 0.841 0.485 0.932 0.542 CB 1.570 119 residues pruned to eliminate duplicates Z: 116 69.177 2.296 0.846 0.506 0.948 0.530 CB 1.595 116 residues pruned to eliminate duplicates Z: 115 72.029 2.311 0.939 0.493 0.930 0.518 CB 1.630 115 residues pruned to eliminate duplicates Z: 119 71.362 2.302 0.950 0.486 0.924 0.534 CB 1.607 119 residues pruned to eliminate duplicates Z: 112 67.361 2.319 0.870 0.516 0.901 0.532 CB 1.611 112 residues pruned to eliminate duplicates Z: 30 33.193 2.379 0.738 0.444 0.931 0.517 CB 1.696 30 residues pruned to eliminate duplicates Z: 45 43.019 2.278 0.771 0.542 0.955 0.614 CB 1.617 45 residues pruned to eliminate duplicates Z: 91 47.717 2.218 0.865 0.477 0.833 0.567 CB 1.494 111 residues pruned to eliminate duplicates Z: 49 32.488 2.235 0.872 0.414 0.812 0.542 CB 1.510 49 residues pruned to eliminate duplicates Z: 37 49.069 2.379 0.925 0.521 1.000 0.583 CB 1.749 37 residues pruned to eliminate duplicates Z: 64 48.521 2.246 0.815 0.549 0.921 0.556 CB 1.553 64 residues pruned to eliminate duplicates Z: 38 38.917 2.352 0.861 0.501 0.919 0.649 CB 1.589 38 residues pruned to eliminate duplicates Z: 59 53.604 2.297 0.943 0.559 0.897 0.552 CB 1.662 59 residues pruned to eliminate duplicates Z: 45 37.769 2.262 0.777 0.450 0.932 0.568 CB 1.600 45 residues pruned to eliminate duplicates Z: 38 47.021 2.328 0.925 0.554 0.973 0.541 CB 1.682 38 residues pruned to eliminate duplicates Z: 122 49.687 2.133 0.786 0.455 0.860 0.496 CB 1.445 122 residues pruned to eliminate duplicates Z: 61 42.361 2.232 0.791 0.467 0.850 0.467 CB 1.665 61 residues pruned to eliminate duplicates Z: 48 37.218 2.307 0.888 0.463 0.830 0.447 CB 1.560 48 residues pruned to eliminate duplicates Z: 36 33.595 2.284 0.746 0.490 0.886 0.371 CB 1.623 36 residues pruned to eliminate duplicates Z: 37 50.655 2.366 1.100 0.562 1.000 0.639 CB 1.600 37 residues pruned to eliminate duplicates Z: 54 39.080 2.307 0.946 0.438 0.792 0.509 CB 1.609 54 residues pruned to eliminate duplicates Z: 44 42.994 2.352 1.057 0.478 0.860 0.628 CB 1.611 44 residues pruned to eliminate duplicates Z: 105 59.094 2.264 0.840 0.506 0.885 0.471 CB 1.564 105 residues pruned to eliminate duplicates Z: 60 41.610 2.182 0.856 0.487 0.881 0.441 CB 1.538 60 residues pruned to eliminate duplicates Z: 65 45.170 2.253 0.881 0.500 0.891 0.531 CB 1.496 65 residues pruned to eliminate duplicates Z: 70 45.986 2.231 0.875 0.490 0.870 0.362 CB 1.537 70 residues pruned to eliminate duplicates Z: 24 29.058 2.253 1.038 0.373 0.913 0.478 CB 1.657 24 residues pruned to eliminate duplicates Z: 47 39.276 2.298 0.958 0.440 0.891 0.543 CB 1.536 47 residues pruned to eliminate duplicates Z: 43 42.932 2.231 1.059 0.528 0.905 0.476 CB 1.550 43 residues pruned to eliminate duplicates Z: 82 46.530 2.202 0.949 0.442 0.840 0.469 CB 1.524 82 residues pruned to eliminate duplicates Z: 64 52.264 2.311 0.996 0.507 0.889 0.524 CB 1.594 64 residues pruned to eliminate duplicates Z: 52 52.020 2.309 1.011 0.505 0.961 0.529 CB 1.625 52 residues pruned to eliminate duplicates Z: 51 42.457 2.154 0.882 0.576 0.900 0.600 CB 1.530 51 residues pruned to eliminate duplicates Z: 60 54.515 2.323 1.040 0.540 0.932 0.610 CB 1.545 60 residues pruned to eliminate duplicates Z: 57 58.499 2.354 1.032 0.553 0.946 0.536 CB 1.641 57 residues pruned to eliminate duplicates Z: 38 22.911 1.993 0.745 0.426 0.811 0.486 CB 1.441 38 residues pruned to eliminate duplicates Z: 102 54.679 2.206 0.888 0.477 0.861 0.535 CB 1.552 102 residues pruned to eliminate duplicates Z: 60 53.943 2.283 0.988 0.569 0.898 0.559 CB 1.611 60 residues pruned to eliminate duplicates Z: 58 57.482 2.341 0.960 0.551 0.947 0.526 CB 1.666 58 residues pruned to eliminate duplicates Z: 95 59.022 2.247 0.866 0.523 0.936 0.543 CB 1.516 95 residues pruned to eliminate duplicates Z: 57 62.650 2.360 1.089 0.567 0.946 0.518 CB 1.682 57 residues pruned to eliminate duplicates Z: 65 50.731 2.249 0.944 0.524 0.875 0.531 CB 1.618 65 residues pruned to eliminate duplicates Z: 85 53.908 2.240 0.889 0.484 0.881 0.464 CB 1.603 85 residues pruned to eliminate duplicates Z: 62 48.988 2.286 0.927 0.501 0.918 0.426 CB 1.550 62 residues pruned to eliminate duplicates Z: 49 37.322 2.164 0.869 0.466 0.875 0.458 CB 1.576 49 residues pruned to eliminate duplicates Z: 86 57.325 2.255 0.934 0.474 0.918 0.576 CB 1.595 86 residues pruned to eliminate duplicates Z: 69 49.041 2.239 1.009 0.487 0.882 0.426 CB 1.519 69 residues pruned to eliminate duplicates Z: 61 62.166 2.296 1.086 0.577 0.933 0.667 CB 1.667 61 residues pruned to eliminate duplicates Z: 62 54.238 2.268 1.044 0.548 0.902 0.607 CB 1.585 62 residues pruned to eliminate duplicates Z: 69 56.694 2.242 1.131 0.541 0.882 0.588 CB 1.566 69 residues pruned to eliminate duplicates Z: 65 49.105 2.206 0.977 0.504 0.859 0.453 CB 1.632 65 residues pruned to eliminate duplicates Z: 94 61.267 2.205 0.885 0.494 0.925 0.548 CB 1.663 94 residues pruned to eliminate duplicates Z: 32 24.838 1.991 0.701 0.547 0.871 0.484 CB 1.444 32 residues pruned to eliminate duplicates Z: 69 52.057 2.255 1.029 0.515 0.868 0.544 CB 1.566 69 residues pruned to eliminate duplicates Z: 62 58.974 2.292 1.102 0.567 0.902 0.574 CB 1.629 62 residues pruned to eliminate duplicates Z: 106 57.295 2.230 0.825 0.503 0.867 0.581 CB 1.581 106 residues pruned to eliminate duplicates Z: 99 63.529 2.264 0.860 0.539 0.929 0.592 CB 1.579 99 residues pruned to eliminate duplicates Z: 51 39.645 2.155 0.720 0.560 0.920 0.620 CB 1.551 51 residues pruned to eliminate duplicates Z: 90 64.401 2.265 0.905 0.558 0.955 0.607 CB 1.565 90 residues pruned to eliminate duplicates Z: 98 59.355 2.236 0.874 0.505 0.918 0.608 CB 1.559 98 residues pruned to eliminate duplicates Z: 25 30.270 2.170 0.707 0.592 0.917 0.667 CB 1.666 25 residues pruned to eliminate duplicates Z: 90 55.572 2.271 0.782 0.503 0.910 0.506 CB 1.595 90 residues pruned to eliminate duplicates Z: 88 59.104 2.223 0.871 0.524 0.908 0.506 CB 1.639 88 residues pruned to eliminate duplicates Z: 25 30.582 2.150 0.656 0.592 0.958 0.708 CB 1.675 25 residues pruned to eliminate duplicates Z: 95 54.629 2.213 0.863 0.511 0.872 0.564 CB 1.548 95 residues pruned to eliminate duplicates Z: 26 22.760 2.081 0.459 0.566 0.880 0.720 CB 1.599 26 residues pruned to eliminate duplicates Z: 39 35.060 2.111 0.805 0.536 0.921 0.605 CA 1.564 39 residues pruned to eliminate duplicates Z: 26 24.112 2.096 0.597 0.563 0.920 0.560 CB 1.474 26 residues pruned to eliminate duplicates Z: 50 45.255 2.167 0.786 0.589 0.939 0.673 CB 1.633 50 residues pruned to eliminate duplicates Z: 31 25.189 2.124 0.616 0.523 0.900 0.600 CB 1.456 31 residues pruned to eliminate duplicates Z: 25 27.846 2.131 0.549 0.628 0.958 0.708 CA 1.593 25 residues pruned to eliminate duplicates Z: 91 57.524 2.239 0.885 0.524 0.900 0.578 CB 1.558 91 residues pruned to eliminate duplicates Z: 99 63.005 2.226 0.904 0.541 0.908 0.571 CB 1.588 99 residues pruned to eliminate duplicates Z: 24 26.646 2.196 0.576 0.646 0.957 0.609 CB 1.465 24 residues pruned to eliminate duplicates Z: 24 23.853 2.187 0.554 0.650 0.870 0.696 CB 1.463 24 residues pruned to eliminate duplicates Z: 51 29.179 2.179 0.681 0.509 0.840 0.620 CB 1.330 51 residues pruned to eliminate duplicates Z: 55 42.496 2.199 0.760 0.554 0.907 0.574 CB 1.562 55 residues pruned to eliminate duplicates Z: 25 31.771 2.140 0.802 0.611 0.917 0.583 CB 1.652 25 residues pruned to eliminate duplicates Z: 76 49.602 2.220 0.816 0.525 0.867 0.600 CB 1.599 76 residues pruned to eliminate duplicates Z: 28 23.711 2.234 0.854 0.428 0.852 0.444 CB 1.394 28 residues pruned to eliminate duplicates Z: 28 25.461 2.226 0.728 0.425 0.889 0.481 CB 1.549 28 residues pruned to eliminate duplicates Z: 10 11.143 1.922 0.682 0.477 0.778 0.222 N 1.512 10 residues pruned to eliminate duplicates Z: 27 19.307 2.167 0.597 0.421 0.846 0.423 CB 1.403 27 residues pruned to eliminate duplicates Z: 15 26.131 2.210 1.001 0.575 0.929 0.500 CB 1.582 15 residues pruned to eliminate duplicates Z: 27 28.339 2.240 0.870 0.512 0.846 0.423 CB 1.550 27 residues pruned to eliminate duplicates Z: 25 21.295 2.254 0.804 0.504 0.750 0.500 CB 1.419 25 residues pruned to eliminate duplicates Z: 19 19.882 2.048 0.827 0.522 0.833 0.500 CB 1.471 19 residues pruned to eliminate duplicates Z: 30 21.897 2.067 0.910 0.402 0.759 0.483 CB 1.505 30 residues pruned to eliminate duplicates Z: 54 35.376 2.161 0.744 0.539 0.887 0.528 CB 1.399 54 residues pruned to eliminate duplicates Z: 28 25.360 2.184 0.708 0.477 0.852 0.481 CB 1.573 28 residues pruned to eliminate duplicates Z: 19 20.114 2.084 0.948 0.541 0.833 0.389 CB 1.346 19 residues pruned to eliminate duplicates Z: 19 24.885 2.070 0.836 0.559 0.944 0.333 CB 1.542 19 residues pruned to eliminate duplicates Z: 28 25.087 2.239 0.651 0.442 0.963 0.407 CB 1.441 28 residues pruned to eliminate duplicates Z: 17 19.941 2.099 1.023 0.429 0.938 0.438 CB 1.347 17 residues pruned to eliminate duplicates Z: 27 27.194 2.185 0.701 0.513 0.962 0.500 CB 1.473 27 residues pruned to eliminate duplicates Z: 28 22.517 2.204 0.730 0.413 0.889 0.593 CB 1.401 28 residues pruned to eliminate duplicates Z: 134 64.315 2.233 0.839 0.476 0.902 0.519 CB 1.543 134 residues pruned to eliminate duplicates Z: 16 12.485 2.100 0.569 0.367 1.000 0.467 CB 1.128 16 residues pruned to eliminate duplicates Z: 14 16.618 2.182 0.670 0.373 1.000 0.538 CB 1.449 14 residues pruned to eliminate duplicates Z: 12 16.461 2.251 0.851 0.474 0.818 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 14 16.911 2.178 0.829 0.344 1.000 0.538 CB 1.396 14 residues pruned to eliminate duplicates Z: 16 15.332 2.083 0.707 0.347 0.933 0.667 CB 1.408 16 residues pruned to eliminate duplicates Z: 40 25.528 2.225 0.721 0.408 0.795 0.487 CB 1.478 40 residues pruned to eliminate duplicates Z: 30 25.245 2.217 0.656 0.474 0.897 0.552 CB 1.462 30 residues pruned to eliminate duplicates Z: 22 20.748 2.284 0.588 0.431 0.810 0.524 CB 1.656 22 residues pruned to eliminate duplicates Z: 38 23.969 2.212 0.668 0.401 0.757 0.541 CB 1.566 38 residues pruned to eliminate duplicates Z: 40 23.426 2.173 0.596 0.355 0.846 0.462 CB 1.495 40 residues pruned to eliminate duplicates Z: 17 12.865 2.177 0.562 0.330 0.812 0.625 CB 1.403 17 residues pruned to eliminate duplicates Z: 24 21.340 2.228 0.729 0.378 0.957 0.609 CB 1.375 24 residues pruned to eliminate duplicates Z: 26 18.360 2.182 0.695 0.375 0.880 0.440 CB 1.289 26 residues pruned to eliminate duplicates Z: 30 24.974 2.212 0.749 0.423 0.862 0.448 CB 1.506 30 residues pruned to eliminate duplicates Z: 25 14.147 2.183 0.568 0.284 0.792 0.417 CB 1.360 25 residues pruned to eliminate duplicates Z: 25 22.904 2.276 0.556 0.393 0.917 0.500 CB 1.612 25 residues pruned to eliminate duplicates Z: 7 16.814 2.443 0.688 0.630 0.833 0.333 CB 1.769 7 residues pruned to eliminate duplicates Z: 33 27.822 2.237 0.856 0.361 0.906 0.438 CB 1.517 33 residues pruned to eliminate duplicates Z: 39 21.814 2.174 0.581 0.393 0.816 0.368 CB 1.414 39 residues pruned to eliminate duplicates Z: 33 30.103 2.282 0.701 0.393 0.938 0.562 CB 1.637 33 residues pruned to eliminate duplicates Z: 31 21.116 2.280 0.450 0.448 0.800 0.533 CB 1.538 38 residues pruned to eliminate duplicates Z: 31 27.271 2.249 0.698 0.507 0.800 0.433 CB 1.618 31 residues pruned to eliminate duplicates Z: 36 32.478 2.255 1.100 0.524 0.771 0.457 CB 1.468 36 residues pruned to eliminate duplicates Z: 50 29.814 2.247 0.518 0.437 0.898 0.551 CB 1.484 50 residues pruned to eliminate duplicates Z: 33 25.067 2.211 0.607 0.424 0.875 0.469 CB 1.543 33 residues pruned to eliminate duplicates Z: 28 13.277 2.152 0.259 0.355 0.704 0.259 CB 1.568 28 residues pruned to eliminate duplicates Z: 10 21.720 2.424 0.619 0.658 0.889 0.667 CA 1.792 10 residues pruned to eliminate duplicates Z: 15 17.338 2.351 0.323 0.488 0.929 0.571 CB 1.623 15 residues pruned to eliminate duplicates Z: 41 36.554 2.339 0.756 0.537 0.850 0.675 CB 1.596 41 residues pruned to eliminate duplicates Z: 44 28.344 2.281 0.696 0.430 0.767 0.512 CB 1.565 44 residues pruned to eliminate duplicates Z: 39 40.251 2.408 0.688 0.478 0.947 0.658 CB 1.733 39 residues pruned to eliminate duplicates Z: 39 40.801 2.399 0.728 0.528 0.947 0.789 CB 1.639 39 residues pruned to eliminate duplicates Z: 58 40.645 2.328 0.624 0.433 0.912 0.579 CB 1.672 58 residues pruned to eliminate duplicates Z: 62 42.193 2.337 0.710 0.448 0.918 0.689 CB 1.554 63 residues pruned to eliminate duplicates Z: 13 28.464 2.237 0.736 0.831 1.000 0.917 CA 1.590 13 residues pruned to eliminate duplicates Z: 30 35.603 2.359 0.752 0.546 0.931 0.690 CB 1.643 30 residues pruned to eliminate duplicates Z: 42 36.253 2.316 0.704 0.487 0.878 0.683 CB 1.655 42 residues pruned to eliminate duplicates Z: 30 38.347 2.377 0.773 0.540 0.966 0.621 CB 1.684 30 residues pruned to eliminate duplicates Z: 40 34.958 2.388 0.535 0.547 0.872 0.667 CB 1.672 40 residues pruned to eliminate duplicates Z: 41 39.690 2.352 0.702 0.537 0.925 0.600 CB 1.635 41 residues pruned to eliminate duplicates Z: 29 35.400 2.343 0.832 0.567 0.929 0.679 CB 1.573 29 residues pruned to eliminate duplicates Z: 30 35.876 2.371 0.799 0.568 0.931 0.690 CB 1.570 30 residues pruned to eliminate duplicates Z: 15 30.422 2.252 1.156 0.738 0.857 0.786 CA 1.578 15 residues pruned to eliminate duplicates Z: 31 34.041 2.364 0.782 0.489 0.900 0.600 CB 1.659 31 residues pruned to eliminate duplicates Z: 28 40.082 2.446 0.960 0.551 0.926 0.778 CB 1.654 28 residues pruned to eliminate duplicates Z: 28 39.225 2.421 0.938 0.534 0.963 0.741 CB 1.615 28 residues pruned to eliminate duplicates Z: 31 36.565 2.339 0.914 0.541 0.967 0.600 CB 1.483 31 residues pruned to eliminate duplicates Z: 30 38.699 2.311 0.938 0.556 0.931 0.586 CB 1.632 30 residues pruned to eliminate duplicates Z: 32 33.602 2.290 0.957 0.517 0.903 0.484 CB 1.467 32 residues pruned to eliminate duplicates Z: 41 31.403 2.254 0.550 0.413 0.900 0.525 CB 1.730 41 residues pruned to eliminate duplicates Z: 41 36.609 2.336 0.592 0.480 0.900 0.600 CB 1.765 41 residues pruned to eliminate duplicates Z: 40 41.529 2.348 0.853 0.513 0.949 0.538 CB 1.590 40 residues pruned to eliminate duplicates Z: 29 38.332 2.397 0.949 0.558 0.964 0.536 CB 1.519 29 residues pruned to eliminate duplicates Z: 30 38.924 2.395 0.831 0.518 0.966 0.690 CB 1.676 31 residues pruned to eliminate duplicates Z: 6 3.270 2.197 0.019 0.199 0.800 0.400 CB 1.167 6 residues pruned to eliminate duplicates Z: 29 40.136 2.377 0.911 0.592 0.964 0.464 CB 1.585 28 residues pruned to eliminate duplicates Z: 6 7.095 1.914 0.357 0.331 1.000 0.600 N 1.471 6 residues pruned to eliminate duplicates Z: 29 40.836 2.352 1.035 0.605 0.929 0.536 CB 1.571 29 residues pruned to eliminate duplicates Z: 15 28.813 2.344 0.773 0.844 0.857 0.714 CA 1.608 15 residues pruned to eliminate duplicates Z: 23 40.819 2.393 1.059 0.662 0.909 0.682 CB 1.672 23 residues pruned to eliminate duplicates Z: 37 40.689 2.312 0.882 0.533 0.889 0.611 CB 1.697 37 residues pruned to eliminate duplicates Z: 16 29.773 2.307 0.752 0.877 0.867 0.800 CB 1.594 16 residues pruned to eliminate duplicates Z: 23 42.879 2.356 0.966 0.642 0.955 0.545 CB 1.811 23 residues pruned to eliminate duplicates Z: 23 44.846 2.381 1.090 0.654 0.909 0.636 CB 1.832 23 residues pruned to eliminate duplicates Z: 25 44.788 2.334 0.975 0.637 0.958 0.625 CA 1.820 25 residues pruned to eliminate duplicates Z: 21 50.754 2.522 0.965 0.697 1.000 0.750 CB 1.913 21 residues pruned to eliminate duplicates Z: 108 74.621 2.354 1.012 0.521 0.888 0.626 CB 1.680 146 residues pruned to eliminate duplicates Z: 96 67.432 2.304 1.018 0.516 0.916 0.611 CB 1.599 96 residues pruned to eliminate duplicates Z: 27 40.330 2.383 0.992 0.579 0.923 0.731 CB 1.673 Z: 16 38.488 2.441 1.012 0.794 1.000 0.733 CA 1.564 16 residues pruned to eliminate duplicates Z: 24 38.054 2.331 0.930 0.612 0.913 0.652 CB 1.737 24 residues pruned to eliminate duplicates Z: 108 71.465 2.313 0.919 0.550 0.925 0.617 CB 1.603 135 residues pruned to eliminate duplicates Z: 39 42.431 2.304 1.043 0.490 0.868 0.579 CB 1.700 Z: 6 5.653 1.959 0.856 0.291 0.600 0.600 CB 1.466 6 residues pruned to eliminate duplicates Z: 28 35.692 2.356 0.954 0.563 0.852 0.593 CB 1.647 29 residues pruned to eliminate duplicates Z: 6 2.650 1.615 0.351 0.224 0.600 0.600 N 1.251 6 residues pruned to eliminate duplicates Z: 22 16.119 2.216 0.415 0.414 0.857 0.429 CB 1.432 22 residues pruned to eliminate duplicates Z: 19 20.305 2.186 0.725 0.446 0.833 0.667 CB 1.610 19 residues pruned to eliminate duplicates Z: 21 24.077 2.320 0.620 0.459 0.800 0.500 CB 1.867 21 residues pruned to eliminate duplicates Z: 32 23.578 2.112 0.645 0.425 0.871 0.516 CA 1.513 32 residues pruned to eliminate duplicates Z: 17 21.430 2.318 0.804 0.429 0.875 0.438 CB 1.577 17 residues pruned to eliminate duplicates Z: 18 25.183 2.211 1.040 0.446 0.882 0.588 CA 1.622 19 residues pruned to eliminate duplicates Z: 6 3.823 2.138 -0.082 0.429 0.800 0.400 CB 1.172 6 residues pruned to eliminate duplicates Z: 30 33.253 2.278 1.000 0.520 0.828 0.483 CB 1.606 30 residues pruned to eliminate duplicates Z: 18 16.185 2.105 0.614 0.345 0.882 0.353 CB 1.549 18 residues pruned to eliminate duplicates Z: 15 23.443 2.402 0.682 0.506 0.857 0.571 CB 1.800 17 residues pruned to eliminate duplicates Z: 6 9.153 1.953 1.141 0.405 0.800 0.400 CA 1.352 6 residues pruned to eliminate duplicates Z: 21 30.188 2.443 0.742 0.575 0.900 0.550 CA 1.639 21 residues pruned to eliminate duplicates Z: 61 49.063 2.399 0.823 0.512 0.850 0.600 CB 1.684 60 residues pruned to eliminate duplicates Z: 7 3.011 1.847 -0.029 0.332 0.833 0.333 CA 0.988 7 residues pruned to eliminate duplicates Z: 40 34.014 2.278 0.785 0.486 0.846 0.487 CB 1.606 40 residues pruned to eliminate duplicates Z: 35 32.566 2.302 0.949 0.416 0.794 0.412 CB 1.711 32 residues pruned to eliminate duplicates Z: 12 12.899 1.720 0.483 0.574 1.000 0.455 CA 1.419 12 residues pruned to eliminate duplicates Z: 16 20.884 2.390 0.911 0.471 0.867 0.600 CA 1.402 16 residues pruned to eliminate duplicates Z: 19 23.331 2.411 0.592 0.507 0.944 0.667 CA 1.506 19 residues pruned to eliminate duplicates Z: 31 26.249 2.358 0.574 0.518 0.833 0.600 CB 1.521 31 residues pruned to eliminate duplicates Z: 21 23.770 2.347 0.596 0.540 0.850 0.550 CB 1.605 21 residues pruned to eliminate duplicates Z: 62 46.872 2.381 0.719 0.501 0.902 0.590 CB 1.624 62 residues pruned to eliminate duplicates Z: 43 41.614 2.405 0.833 0.494 0.905 0.667 CA 1.620 43 residues pruned to eliminate duplicates Z: 26 39.984 2.324 1.084 0.635 0.920 0.640 CA 1.581 26 residues pruned to eliminate duplicates Z: 44 46.686 2.439 0.842 0.515 0.930 0.628 CA 1.678 44 residues pruned to eliminate duplicates Z: 22 20.248 2.231 0.887 0.503 0.762 0.571 CA 1.374 22 residues pruned to eliminate duplicates Z: 46 34.901 2.344 0.656 0.494 0.889 0.622 CB 1.516 46 residues pruned to eliminate duplicates Z: 44 47.106 2.416 0.847 0.544 0.907 0.651 CB 1.700 45 residues pruned to eliminate duplicates Z: 14 22.297 2.085 0.927 0.728 1.000 0.615 CB 1.254 14 residues pruned to eliminate duplicates Z: 44 42.005 2.367 1.004 0.495 0.837 0.674 CB 1.621 44 residues pruned to eliminate duplicates Z: 15 33.100 2.339 1.133 0.688 0.929 0.643 CA 1.608 15 residues pruned to eliminate duplicates Z: 62 53.668 2.403 0.957 0.499 0.885 0.525 CB 1.652 63 residues pruned to eliminate duplicates Z: 13 36.576 2.235 1.214 0.859 0.917 0.917 CA 1.713 13 residues pruned to eliminate duplicates Z: 45 40.646 2.362 0.924 0.511 0.886 0.568 CB 1.505 45 residues pruned to eliminate duplicates Z: 35 39.189 2.335 1.008 0.511 0.824 0.559 CB 1.721 35 residues pruned to eliminate duplicates Z: 40 41.599 2.385 0.989 0.462 0.897 0.487 CB 1.628 40 residues pruned to eliminate duplicates Z: 45 45.356 2.370 0.926 0.536 0.909 0.659 CB 1.590 44 residues pruned to eliminate duplicates Z: 11 50.796 2.509 1.580 0.917 0.900 0.400 CB 1.947 11 residues pruned to eliminate duplicates Z: 43 42.269 2.340 0.918 0.485 0.857 0.571 CB 1.722 43 residues pruned to eliminate duplicates Z: 11 57.860 2.480 1.641 0.926 1.000 0.700 CA 1.959 11 residues pruned to eliminate duplicates Z: 42 45.704 2.396 0.953 0.553 0.927 0.634 CB 1.562 42 residues pruned to eliminate duplicates Z: 31 28.615 2.281 1.001 0.417 0.800 0.500 CB 1.561 31 residues pruned to eliminate duplicates Z: 29 42.854 2.420 1.020 0.558 0.929 0.464 CB 1.685 29 residues pruned to eliminate duplicates Z: 27 26.948 2.311 0.781 0.427 0.846 0.500 CB 1.637 27 residues pruned to eliminate duplicates Z: 27 41.941 2.456 1.025 0.515 0.923 0.423 CB 1.766 27 residues pruned to eliminate duplicates Z: 17 24.129 2.345 0.638 0.408 0.938 0.688 CB 1.844 17 residues pruned to eliminate duplicates Z: 39 32.329 2.343 0.852 0.406 0.816 0.421 CB 1.635 39 residues pruned to eliminate duplicates Z: 26 47.765 2.526 1.101 0.539 0.920 0.640 CB 1.884 26 residues pruned to eliminate duplicates Z: 41 41.255 2.307 0.847 0.440 0.925 0.600 CB 1.761 41 residues pruned to eliminate duplicates Z: 25 31.335 2.365 0.950 0.420 0.875 0.333 CB 1.723 25 residues pruned to eliminate duplicates Z: 27 32.996 2.371 0.800 0.438 0.923 0.423 CB 1.751 27 residues pruned to eliminate duplicates Z: 17 22.755 2.365 0.680 0.401 0.938 0.688 CB 1.695 17 residues pruned to eliminate duplicates Z: 16 18.685 2.462 0.624 0.310 0.800 0.467 CB 1.862 16 residues pruned to eliminate duplicates Z: 44 41.488 2.407 0.825 0.504 0.860 0.628 CB 1.668 44 residues pruned to eliminate duplicates Z: 58 37.619 2.291 0.911 0.364 0.807 0.474 CB 1.632 58 residues pruned to eliminate duplicates Z: 13 13.176 2.191 0.542 0.315 0.833 0.333 CB 1.658 13 residues pruned to eliminate duplicates Z: 43 44.226 2.329 0.985 0.437 0.929 0.571 CB 1.697 43 residues pruned to eliminate duplicates Z: 29 32.313 2.188 0.902 0.631 0.857 0.643 CB 1.513 29 residues pruned to eliminate duplicates Z: 28 36.325 2.169 0.911 0.645 0.889 0.519 CB 1.657 26 residues pruned to eliminate duplicates Z: 12 24.619 2.033 0.827 0.833 1.000 0.545 CA 1.499 12 residues pruned to eliminate duplicates Z: 42 34.328 2.247 0.721 0.525 0.902 0.683 CB 1.499 42 residues pruned to eliminate duplicates Z: 11 28.052 2.152 1.258 0.826 0.900 0.400 CB 1.530 11 residues pruned to eliminate duplicates Z: 25 37.361 2.273 1.001 0.672 0.875 0.500 CB 1.634 25 residues pruned to eliminate duplicates Z: 18 19.038 2.087 0.931 0.519 0.941 0.471 CB 1.195 18 residues pruned to eliminate duplicates Z: 18 21.023 1.988 0.850 0.466 0.941 0.176 CB 1.525 18 residues pruned to eliminate duplicates Z: 13 26.574 2.238 1.178 0.677 0.833 0.333 CB 1.604 13 residues pruned to eliminate duplicates Z: 26 42.770 2.279 1.032 0.702 0.960 0.520 CB 1.601 26 residues pruned to eliminate duplicates Z: 14 20.039 2.088 0.947 0.715 0.923 0.385 CB 1.219 14 residues pruned to eliminate duplicates Z: 28 33.497 2.206 0.879 0.643 0.889 0.444 CB 1.531 28 residues pruned to eliminate duplicates Z: 7 4.596 1.840 0.263 0.271 0.833 0.333 CB 1.257 7 residues pruned to eliminate duplicates Z: 27 31.923 2.176 0.844 0.591 0.923 0.423 CB 1.550 27 residues pruned to eliminate duplicates Z: 27 31.150 2.224 0.868 0.582 0.885 0.423 CB 1.536 27 residues pruned to eliminate duplicates Z: 27 32.326 2.194 0.928 0.566 0.885 0.462 CB 1.588 27 residues pruned to eliminate duplicates Z: 24 32.705 2.318 0.869 0.633 0.913 0.609 CB 1.522 24 residues pruned to eliminate duplicates Z: 26 30.874 2.226 0.901 0.597 0.920 0.560 CB 1.446 26 residues pruned to eliminate duplicates Z: 25 34.053 2.271 0.938 0.624 0.875 0.750 CB 1.606 25 residues pruned to eliminate duplicates Z: 27 34.803 2.184 1.125 0.552 0.885 0.385 CB 1.579 27 residues pruned to eliminate duplicates Z: 14 28.814 2.056 0.992 0.854 0.923 0.615 CB 1.561 14 residues pruned to eliminate duplicates Z: 26 35.670 2.229 1.125 0.580 0.880 0.480 CB 1.584 26 residues pruned to eliminate duplicates Z: 12 37.588 2.255 1.259 0.927 0.909 0.545 CA 1.715 12 residues pruned to eliminate duplicates Z: 28 38.356 2.227 1.225 0.649 0.889 0.370 CB 1.459 27 residues pruned to eliminate duplicates Z: 9 14.645 1.972 0.954 0.806 0.750 0.375 CB 1.372 9 residues pruned to eliminate duplicates Z: 27 31.976 2.174 1.084 0.589 0.885 0.192 CB 1.436 26 residues pruned to eliminate duplicates Z: 6 3.071 1.506 0.605 0.474 0.600 0.200 CB 0.972 6 residues pruned to eliminate duplicates Z: 14 13.182 2.278 0.481 0.277 0.846 0.615 CB 1.647 14 residues pruned to eliminate duplicates Z: 9 10.532 2.298 0.242 0.340 0.875 0.750 CB 1.776 9 residues pruned to eliminate duplicates Z: 14 16.114 2.380 0.394 0.335 1.000 0.615 CB 1.614 14 residues pruned to eliminate duplicates Z: 17 12.397 2.135 0.360 0.359 0.812 0.625 CB 1.531 17 residues pruned to eliminate duplicates Z: 14 15.351 2.374 0.424 0.309 1.000 0.615 CB 1.557 14 residues pruned to eliminate duplicates Z: 14 12.184 2.377 0.462 0.286 0.769 0.692 CB 1.608 14 residues pruned to eliminate duplicates Z: 16 12.683 2.297 0.320 0.247 0.933 0.533 CB 1.550 16 residues pruned to eliminate duplicates Z: 38 27.578 2.198 0.659 0.401 0.892 0.297 CB 1.547 39 residues pruned to eliminate duplicates Z: 10 5.629 1.715 0.388 0.383 0.778 0.778 CA 1.148 10 residues pruned to eliminate duplicates Z: 14 16.190 2.384 0.464 0.319 0.923 0.462 CB 1.702 14 residues pruned to eliminate duplicates Z: 7 7.737 2.407 0.387 0.381 0.667 0.500 CB 1.612 7 residues pruned to eliminate duplicates Z: 7 7.508 2.369 0.402 0.370 0.667 0.333 CB 1.591 7 residues pruned to eliminate duplicates Z: 8 4.759 2.166 -0.093 0.234 0.857 0.286 CB 1.455 8 residues pruned to eliminate duplicates Z: 22 19.527 2.053 1.000 0.392 0.810 0.524 CB 1.437 22 residues pruned to eliminate duplicates Z: 27 24.485 2.195 0.893 0.433 0.846 0.538 CB 1.465 27 residues pruned to eliminate duplicates Z: 22 21.750 2.128 1.086 0.413 0.857 0.429 CB 1.366 22 residues pruned to eliminate duplicates Z: 39 35.318 2.249 1.104 0.447 0.868 0.500 CB 1.473 39 residues pruned to eliminate duplicates Z: 11 21.062 2.059 0.912 0.563 1.000 0.700 CB 1.592 11 residues pruned to eliminate duplicates Z: 12 18.692 2.001 0.980 0.481 0.909 0.727 CB 1.596 12 residues pruned to eliminate duplicates Z: 9 14.987 2.129 0.541 0.442 1.000 0.750 CA 1.714 9 residues pruned to eliminate duplicates Z: 18 21.325 2.186 1.081 0.476 0.824 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 11 18.006 2.077 0.786 0.464 1.000 0.900 CB 1.593 11 residues pruned to eliminate duplicates Z: 19 22.695 2.043 0.992 0.492 0.889 0.556 CB 1.491 19 residues pruned to eliminate duplicates Z: 18 22.958 2.093 1.080 0.503 0.941 0.529 CB 1.355 18 residues pruned to eliminate duplicates Z: 22 18.297 2.080 0.875 0.438 0.810 0.476 CB 1.348 22 residues pruned to eliminate duplicates Z: 21 17.971 2.176 0.662 0.458 0.850 0.550 CB 1.364 21 residues pruned to eliminate duplicates Z: 18 19.749 2.158 0.864 0.443 0.941 0.471 CB 1.342 18 residues pruned to eliminate duplicates Z: 14 9.189 2.174 0.575 0.364 0.692 0.462 CB 1.244 14 residues pruned to eliminate duplicates Z: 16 25.500 2.247 0.999 0.514 1.000 0.667 CB 1.445 17 residues pruned to eliminate duplicates Z: 9 5.184 1.503 0.900 0.372 0.750 0.500 O 0.981 9 residues pruned to eliminate duplicates Z: 38 33.998 2.253 0.889 0.498 0.865 0.622 CB 1.522 38 residues pruned to eliminate duplicates Z: 25 19.849 2.075 0.845 0.416 0.917 0.458 CB 1.260 25 residues pruned to eliminate duplicates Z: 26 26.607 2.242 0.840 0.475 0.880 0.560 CB 1.504 26 residues pruned to eliminate duplicates Z: 25 27.731 2.283 0.865 0.389 0.875 0.458 CB 1.709 25 residues pruned to eliminate duplicates Z: 21 30.207 2.328 0.886 0.447 0.950 0.550 CB 1.710 21 residues pruned to eliminate duplicates Z: 37 35.103 2.242 0.940 0.480 0.861 0.583 CB 1.593 37 residues pruned to eliminate duplicates Z: 58 51.732 2.323 0.955 0.524 0.860 0.526 CB 1.713 58 residues pruned to eliminate duplicates Z: 28 17.411 2.124 0.712 0.313 0.815 0.481 CB 1.391 28 residues pruned to eliminate duplicates Z: 30 24.626 2.226 0.914 0.394 0.897 0.448 CB 1.339 30 residues pruned to eliminate duplicates Z: 40 41.041 2.233 0.877 0.526 0.923 0.564 CB 1.656 40 residues pruned to eliminate duplicates Z: 22 21.706 2.194 0.765 0.434 0.857 0.571 CA 1.527 22 residues pruned to eliminate duplicates Z: 30 24.984 2.155 0.759 0.457 0.828 0.552 CB 1.546 30 residues pruned to eliminate duplicates Z: 26 22.887 2.244 1.006 0.368 0.760 0.480 CB 1.542 26 residues pruned to eliminate duplicates Z: 39 33.920 2.255 0.893 0.450 0.868 0.553 CB 1.563 39 residues pruned to eliminate duplicates Z: 25 23.766 2.197 0.847 0.405 0.917 0.542 CB 1.441 25 residues pruned to eliminate duplicates Z: 22 20.904 2.265 0.897 0.416 0.762 0.571 CB 1.520 22 residues pruned to eliminate duplicates Z: 70 56.096 2.352 0.942 0.503 0.870 0.522 CB 1.695 70 residues pruned to eliminate duplicates Z: 66 47.295 2.309 0.931 0.481 0.846 0.523 CB 1.585 66 residues pruned to eliminate duplicates Z: 26 31.324 2.363 0.879 0.512 0.840 0.640 CB 1.659 26 residues pruned to eliminate duplicates Z: 31 24.099 2.256 0.957 0.330 0.767 0.433 CB 1.567 31 residues pruned to eliminate duplicates Z: 23 17.820 1.993 0.795 0.480 0.818 0.682 CB 1.324 23 residues pruned to eliminate duplicates Z: 63 36.120 2.203 0.675 0.466 0.823 0.516 CB 1.564 63 residues pruned to eliminate duplicates Z: 78 61.014 2.291 1.046 0.497 0.935 0.545 CB 1.591 78 residues pruned to eliminate duplicates Z: 44 40.312 2.291 0.923 0.491 0.884 0.442 CB 1.593 44 residues pruned to eliminate duplicates Z: 46 51.927 2.345 0.995 0.534 0.911 0.489 CB 1.757 46 residues pruned to eliminate duplicates Z: 65 48.050 2.313 0.911 0.470 0.875 0.562 CB 1.600 65 residues pruned to eliminate duplicates Z: 25 31.464 2.337 1.091 0.575 0.750 0.667 CB 1.630 25 residues pruned to eliminate duplicates Z: 45 39.995 2.262 0.890 0.528 0.841 0.477 CB 1.631 45 residues pruned to eliminate duplicates Z: 31 33.080 2.350 0.904 0.443 0.800 0.500 CB 1.789 31 residues pruned to eliminate duplicates Z: 34 34.780 2.238 0.969 0.523 0.788 0.485 CB 1.705 34 residues pruned to eliminate duplicates Z: 8 14.437 2.484 1.412 0.389 0.571 0.286 CB 1.794 8 residues pruned to eliminate duplicates Z: 22 16.035 2.073 1.013 0.288 0.667 0.238 CB 1.596 22 residues pruned to eliminate duplicates Z: 32 31.301 2.219 0.994 0.402 0.774 0.516 CB 1.820 32 residues pruned to eliminate duplicates Z: 25 28.521 2.272 1.107 0.386 0.833 0.542 CA 1.648 25 residues pruned to eliminate duplicates Z: 124 69.713 2.343 0.989 0.463 0.821 0.520 CB 1.706 225 residues pruned to eliminate duplicates Z: 8 5.627 1.572 0.815 0.457 0.571 0.143 CA 1.362 8 residues pruned to eliminate duplicates Z: 21 43.173 2.366 1.230 0.559 0.950 0.600 CB 1.819 21 residues pruned to eliminate duplicates Z: 63 56.833 2.402 1.022 0.483 0.855 0.597 CB 1.768 63 residues pruned to eliminate duplicates Z: 39 23.814 2.271 0.777 0.333 0.789 0.421 CB 1.455 46 residues pruned to eliminate duplicates Z: 37 33.527 2.229 0.898 0.472 0.889 0.611 CB 1.530 51 residues pruned to eliminate duplicates Z: 22 35.582 2.276 1.154 0.465 0.905 0.571 CA 1.814 22 residues pruned to eliminate duplicates Z: 26 36.137 2.327 1.089 0.488 0.840 0.520 CB 1.791 26 residues pruned to eliminate duplicates Z: 29 21.204 2.218 0.706 0.389 0.750 0.536 CB 1.588 29 residues pruned to eliminate duplicates Z: 28 23.615 2.144 0.892 0.377 0.778 0.407 CB 1.642 28 residues pruned to eliminate duplicates Z: 80 56.880 2.348 1.015 0.438 0.848 0.506 CB 1.700 80 residues pruned to eliminate duplicates Z: 31 27.718 2.202 0.897 0.439 0.800 0.533 CB 1.614 31 residues pruned to eliminate duplicates Z: 30 29.193 2.370 0.808 0.435 0.828 0.483 CB 1.635 30 residues pruned to eliminate duplicates Z: 59 58.547 2.418 1.022 0.519 0.879 0.655 CB 1.754 59 residues pruned to eliminate duplicates Z: 45 36.298 2.201 0.941 0.430 0.841 0.523 CB 1.637 95 residues pruned to eliminate duplicates Z: 6 2.052 1.771 0.905 0.308 0.600 0.600 CB 0.561 6 residues pruned to eliminate duplicates Z: 27 24.249 2.310 0.727 0.416 0.769 0.423 CB 1.692 27 residues pruned to eliminate duplicates Z: 22 41.499 2.449 0.992 0.582 0.905 0.667 CB 1.897 22 residues pruned to eliminate duplicates Z: 22 31.693 2.416 0.854 0.504 0.810 0.667 CB 1.898 22 residues pruned to eliminate duplicates Z: 72 53.815 2.371 0.839 0.487 0.873 0.535 CB 1.699 72 residues pruned to eliminate duplicates Z: 90 63.612 2.380 0.919 0.495 0.854 0.483 CB 1.737 90 residues pruned to eliminate duplicates Z: 61 50.559 2.396 0.931 0.457 0.817 0.533 CB 1.804 61 residues pruned to eliminate duplicates Z: 94 59.638 2.326 1.032 0.463 0.828 0.516 CB 1.641 94 residues pruned to eliminate duplicates Z: 61 56.138 2.381 0.933 0.492 0.917 0.550 CB 1.730 61 residues pruned to eliminate duplicates Z: 46 57.433 2.419 1.046 0.534 0.933 0.644 CB 1.791 46 residues pruned to eliminate duplicates Z: 45 42.683 2.327 0.921 0.492 0.886 0.614 CB 1.638 45 residues pruned to eliminate duplicates Z: 38 41.151 2.375 0.960 0.501 0.838 0.514 CB 1.733 38 residues pruned to eliminate duplicates Z: 85 62.509 2.400 0.924 0.493 0.833 0.583 CB 1.785 85 residues pruned to eliminate duplicates Z: 63 55.944 2.309 0.926 0.508 0.919 0.548 CB 1.724 63 residues pruned to eliminate duplicates Z: 68 54.553 2.349 0.832 0.479 0.896 0.478 CB 1.766 68 residues pruned to eliminate duplicates Z: 36 50.309 2.467 0.963 0.525 0.914 0.629 CB 1.873 36 residues pruned to eliminate duplicates Z: 74 53.369 2.338 0.905 0.492 0.890 0.562 CB 1.588 74 residues pruned to eliminate duplicates Z: 72 60.433 2.345 0.995 0.536 0.873 0.535 CB 1.695 72 residues pruned to eliminate duplicates Z: 91 70.705 2.365 1.072 0.495 0.878 0.556 CB 1.742 91 residues pruned to eliminate duplicates Z: 97 61.179 2.297 1.014 0.460 0.844 0.448 CB 1.666 97 residues pruned to eliminate duplicates Z: 45 52.035 2.398 1.046 0.521 0.932 0.523 CB 1.680 45 residues pruned to eliminate duplicates Z: 60 58.837 2.424 1.071 0.535 0.847 0.627 CB 1.738 60 residues pruned to eliminate duplicates Z: 46 45.659 2.356 0.905 0.469 0.867 0.422 CB 1.806 63 residues pruned to eliminate duplicates Z: 50 41.700 2.306 0.926 0.466 0.837 0.327 CB 1.660 50 residues pruned to eliminate duplicates Z: 92 61.263 2.301 0.967 0.431 0.857 0.385 CB 1.777 92 residues pruned to eliminate duplicates Z: 57 59.650 2.363 1.096 0.525 0.911 0.446 CB 1.723 57 residues pruned to eliminate duplicates Z: 38 50.351 2.429 1.041 0.534 0.919 0.622 CB 1.757 38 residues pruned to eliminate duplicates Z: 37 54.624 2.454 1.166 0.534 0.917 0.500 CB 1.807 37 residues pruned to eliminate duplicates Z: 33 42.208 2.352 0.897 0.479 0.938 0.531 CB 1.823 33 residues pruned to eliminate duplicates Z: 37 49.140 2.464 1.019 0.502 0.917 0.444 CA 1.792 37 residues pruned to eliminate duplicates Z: 69 59.382 2.373 0.962 0.472 0.912 0.485 CA 1.745 69 residues pruned to eliminate duplicates Z: 24 25.689 2.337 0.979 0.332 0.783 0.522 CB 1.778 24 residues pruned to eliminate duplicates Z: 67 51.908 2.348 1.005 0.479 0.864 0.576 CB 1.605 67 residues pruned to eliminate duplicates Z: 47 50.323 2.369 0.977 0.465 0.891 0.522 CB 1.842 47 residues pruned to eliminate duplicates Z: 111 78.151 2.385 1.047 0.511 0.873 0.545 CB 1.730 111 residues pruned to eliminate duplicates Z: 63 47.295 2.246 0.896 0.488 0.871 0.435 CB 1.639 63 residues pruned to eliminate duplicates Z: 69 64.175 2.380 1.050 0.486 0.897 0.456 CB 1.803 69 residues pruned to eliminate duplicates Z: 88 67.991 2.370 1.101 0.483 0.862 0.575 CB 1.727 88 residues pruned to eliminate duplicates Z: 39 33.207 2.203 1.252 0.324 0.842 0.500 CB 1.565 39 residues pruned to eliminate duplicates Z: 87 50.050 2.295 0.827 0.423 0.860 0.500 CB 1.620 87 residues pruned to eliminate duplicates Z: 74 55.310 2.345 1.025 0.459 0.863 0.466 CB 1.647 74 residues pruned to eliminate duplicates Z: 57 48.469 2.262 0.939 0.458 0.875 0.518 CB 1.761 57 residues pruned to eliminate duplicates Z: 48 56.338 2.401 1.189 0.555 0.894 0.447 CB 1.659 48 residues pruned to eliminate duplicates Z: 68 61.334 2.358 1.080 0.493 0.866 0.463 CB 1.778 68 residues pruned to eliminate duplicates Z: 44 27.450 2.209 0.719 0.371 0.721 0.419 CB 1.757 44 residues pruned to eliminate duplicates Z: 32 35.917 2.242 0.977 0.429 0.871 0.452 CB 1.799 32 residues pruned to eliminate duplicates Z: 28 27.502 2.157 1.222 0.366 0.815 0.444 CB 1.564 28 residues pruned to eliminate duplicates Z: 50 59.964 2.441 1.082 0.538 0.918 0.571 CA 1.768 50 residues pruned to eliminate duplicates Z: 65 61.461 2.388 1.140 0.525 0.859 0.484 CB 1.706 65 residues pruned to eliminate duplicates Z: 31 43.674 2.320 1.202 0.540 0.867 0.500 CA 1.731 31 residues pruned to eliminate duplicates Z: 30 37.487 2.297 0.923 0.523 0.897 0.517 CA 1.718 30 residues pruned to eliminate duplicates Z: 87 68.369 2.384 1.104 0.504 0.860 0.558 CB 1.702 87 residues pruned to eliminate duplicates Z: 106 74.732 2.366 1.083 0.477 0.857 0.514 CB 1.768 106 residues pruned to eliminate duplicates Z: 32 38.333 2.285 1.056 0.485 0.871 0.484 CA 1.708 32 residues pruned to eliminate duplicates Z: 52 47.531 2.268 0.928 0.466 0.882 0.490 CB 1.786 52 residues pruned to eliminate duplicates Z: 111 57.499 2.272 0.970 0.427 0.809 0.473 CB 1.632 111 residues pruned to eliminate duplicates Z: 70 65.563 2.384 1.083 0.484 0.899 0.565 CA 1.798 70 residues pruned to eliminate duplicates Z: 86 73.430 2.381 1.128 0.500 0.894 0.635 CB 1.757 86 residues pruned to eliminate duplicates Z: 63 56.312 2.316 1.148 0.458 0.871 0.516 CA 1.722 63 residues pruned to eliminate duplicates Z: 64 70.244 2.397 1.154 0.538 0.937 0.524 CA 1.762 64 residues pruned to eliminate duplicates Z: 90 73.671 2.367 1.091 0.518 0.910 0.539 CB 1.702 90 residues pruned to eliminate duplicates Z: 94 72.105 2.339 1.063 0.484 0.882 0.495 CB 1.786 94 residues pruned to eliminate duplicates Z: 61 64.060 2.389 1.170 0.523 0.867 0.500 CB 1.799 61 residues pruned to eliminate duplicates Z: 49 48.899 2.337 1.087 0.461 0.875 0.521 CA 1.722 49 residues pruned to eliminate duplicates Z: 30 42.725 2.378 1.144 0.519 0.862 0.379 CA 1.771 30 residues pruned to eliminate duplicates Z: 83 84.155 2.411 1.183 0.576 0.927 0.549 CA 1.770 83 residues pruned to eliminate duplicates Z: 107 91.092 2.431 1.090 0.545 0.934 0.651 CB 1.783 107 residues pruned to eliminate duplicates Z: 51 68.690 2.404 1.060 0.608 0.980 0.720 CA 1.807 51 residues pruned to eliminate duplicates Z: 66 65.616 2.362 1.107 0.550 0.892 0.554 CB 1.745 66 residues pruned to eliminate duplicates Z: 51 68.742 2.409 1.138 0.577 0.940 0.620 CB 1.864 51 residues pruned to eliminate duplicates Z: 124 90.758 2.390 1.107 0.536 0.911 0.569 CB 1.722 124 residues pruned to eliminate duplicates Z: 118 74.880 2.345 0.986 0.501 0.863 0.470 CB 1.720 118 residues pruned to eliminate duplicates Z: 50 62.249 2.365 1.204 0.584 0.918 0.612 CA 1.713 50 residues pruned to eliminate duplicates Z: 68 68.235 2.332 1.159 0.509 0.925 0.552 CA 1.772 68 residues pruned to eliminate duplicates Z: 101 80.610 2.385 1.081 0.544 0.910 0.570 CB 1.710 101 residues pruned to eliminate duplicates Z: 60 63.483 2.322 1.144 0.555 0.898 0.593 CA 1.752 60 residues pruned to eliminate duplicates Z: 67 72.945 2.387 1.122 0.587 0.939 0.606 CB 1.736 67 residues pruned to eliminate duplicates Z: 51 59.611 2.391 1.050 0.574 0.900 0.540 CA 1.780 51 residues pruned to eliminate duplicates Z: 94 83.174 2.360 1.109 0.553 0.935 0.559 CB 1.759 94 residues pruned to eliminate duplicates Z: 99 79.083 2.388 1.086 0.537 0.898 0.520 CB 1.722 99 residues pruned to eliminate duplicates Z: 30 43.373 2.264 1.096 0.610 0.931 0.655 CB 1.642 30 residues pruned to eliminate duplicates Z: 68 72.284 2.407 1.169 0.527 0.925 0.582 CB 1.780 68 residues pruned to eliminate duplicates Z: 108 89.533 2.400 1.104 0.534 0.916 0.570 CB 1.811 108 residues pruned to eliminate duplicates Z: 68 70.248 2.393 1.164 0.527 0.896 0.567 CB 1.802 68 residues pruned to eliminate duplicates Z: 55 62.801 2.341 1.076 0.571 0.926 0.556 CA 1.773 55 residues pruned to eliminate duplicates Z: 99 86.634 2.430 1.163 0.579 0.898 0.592 CB 1.718 99 residues pruned to eliminate duplicates Z: 113 80.853 2.372 1.020 0.525 0.893 0.580 CB 1.742 113 residues pruned to eliminate duplicates Z: 101 79.079 2.361 1.113 0.527 0.880 0.540 CB 1.755 101 residues pruned to eliminate duplicates Z: 38 42.701 2.357 0.986 0.547 0.892 0.595 CB 1.606 38 residues pruned to eliminate duplicates Z: 84 76.150 2.406 1.083 0.547 0.916 0.542 CB 1.740 84 residues pruned to eliminate duplicates Z: 22 25.577 2.153 1.051 0.467 0.905 0.571 CB 1.444 22 residues pruned to eliminate duplicates Z: 128 86.980 2.395 1.131 0.527 0.866 0.559 CB 1.700 128 residues pruned to eliminate duplicates Z: 8 12.684 1.993 0.966 0.533 0.857 0.571 N 1.382 8 residues pruned to eliminate duplicates Z: 8 10.315 2.004 0.996 0.309 0.857 0.429 CB 1.405 8 residues pruned to eliminate duplicates Z: 107 91.240 2.418 1.156 0.560 0.906 0.528 CB 1.771 107 residues pruned to eliminate duplicates Z: 53 48.423 2.322 0.946 0.481 0.865 0.519 CB 1.750 53 residues pruned to eliminate duplicates Z: 16 26.156 2.381 1.035 0.551 0.800 0.467 CB 1.658 16 residues pruned to eliminate duplicates Z: 18 28.612 2.305 0.954 0.499 0.941 0.529 CB 1.638 18 residues pruned to eliminate duplicates Z: 17 29.248 2.309 0.957 0.582 0.938 0.500 CB 1.595 17 residues pruned to eliminate duplicates Z: 24 18.618 2.124 0.808 0.426 0.739 0.348 CB 1.478 24 residues pruned to eliminate duplicates Z: 16 23.557 2.331 0.940 0.559 0.800 0.400 CB 1.587 16 residues pruned to eliminate duplicates Z: 61 48.935 2.426 0.840 0.474 0.883 0.633 CB 1.645 69 residues pruned to eliminate duplicates Z: 64 47.929 2.396 0.764 0.496 0.857 0.619 CB 1.674 64 residues pruned to eliminate duplicates Z: 24 12.147 1.921 0.716 0.233 0.739 0.478 CB 1.418 24 residues pruned to eliminate duplicates Z: 62 47.721 2.419 0.733 0.491 0.918 0.607 CB 1.602 62 residues pruned to eliminate duplicates Z: 70 47.061 2.368 0.746 0.456 0.884 0.536 CB 1.622 70 residues pruned to eliminate duplicates Z: 65 51.542 2.406 0.803 0.483 0.922 0.594 CB 1.638 71 residues pruned to eliminate duplicates Z: 155 100.481 2.429 1.056 0.535 0.909 0.565 CB 1.724 155 residues pruned to eliminate duplicates Z: 18 22.170 2.254 0.677 0.537 0.824 0.588 CA 1.667 18 residues pruned to eliminate duplicates Z: 47 43.570 2.435 0.746 0.516 0.935 0.652 CB 1.590 47 residues pruned to eliminate duplicates Z: 20 21.010 2.247 0.899 0.423 0.895 0.421 CB 1.367 20 residues pruned to eliminate duplicates Z: 45 56.312 2.496 0.996 0.528 0.955 0.659 CB 1.737 45 residues pruned to eliminate duplicates Z: 34 38.738 2.469 0.805 0.536 0.909 0.667 CB 1.608 34 residues pruned to eliminate duplicates Z: 43 44.919 2.544 0.836 0.516 0.881 0.571 CB 1.658 43 residues pruned to eliminate duplicates Z: 45 48.546 2.525 0.866 0.515 0.909 0.705 CB 1.683 45 residues pruned to eliminate duplicates Z: 45 40.496 2.479 0.738 0.507 0.841 0.591 CB 1.673 45 residues pruned to eliminate duplicates Z: 45 43.507 2.534 0.824 0.505 0.841 0.636 CB 1.680 45 residues pruned to eliminate duplicates Z: 16 29.923 2.299 1.050 0.508 0.933 0.733 CB 1.742 16 residues pruned to eliminate duplicates Z: 43 38.890 2.424 0.969 0.440 0.833 0.476 CB 1.605 43 residues pruned to eliminate duplicates Z: 45 46.006 2.500 0.787 0.517 0.886 0.568 CB 1.722 45 residues pruned to eliminate duplicates Z: 46 39.251 2.442 0.697 0.507 0.867 0.489 CB 1.618 46 residues pruned to eliminate duplicates Z: 27 39.632 2.604 0.872 0.495 0.962 0.654 CB 1.667 27 residues pruned to eliminate duplicates Z: 43 43.710 2.481 0.724 0.493 0.929 0.667 CB 1.711 43 residues pruned to eliminate duplicates Z: 44 40.230 2.486 0.830 0.453 0.837 0.605 CB 1.690 44 residues pruned to eliminate duplicates Z: 33 38.660 2.479 0.783 0.506 0.938 0.594 CB 1.640 33 residues pruned to eliminate duplicates Z: 45 47.457 2.523 0.889 0.518 0.886 0.659 CB 1.665 45 residues pruned to eliminate duplicates Z: 42 33.887 2.402 0.822 0.384 0.854 0.512 CB 1.603 42 residues pruned to eliminate duplicates Z: 44 48.793 2.541 0.931 0.521 0.884 0.581 CB 1.681 44 residues pruned to eliminate duplicates Z: 44 40.551 2.458 0.873 0.450 0.837 0.512 CB 1.689 44 residues pruned to eliminate duplicates Z: 43 44.847 2.544 0.822 0.510 0.857 0.571 CB 1.724 43 residues pruned to eliminate duplicates Z: 33 38.502 2.456 1.035 0.470 0.844 0.531 CB 1.663 33 residues pruned to eliminate duplicates Z: 36 42.195 2.294 1.070 0.580 0.857 0.514 CB 1.623 42 residues pruned to eliminate duplicates Z: 31 40.681 2.537 1.025 0.499 0.867 0.567 CB 1.669 31 residues pruned to eliminate duplicates Z: 41 49.134 2.526 0.923 0.539 0.900 0.650 CB 1.710 41 residues pruned to eliminate duplicates Z: 33 39.097 2.492 1.088 0.489 0.844 0.625 CB 1.591 33 residues pruned to eliminate duplicates Z: 45 43.470 2.399 0.946 0.472 0.886 0.432 CB 1.629 45 residues pruned to eliminate duplicates Z: 19 18.044 2.417 0.772 0.349 0.833 0.500 CB 1.403 19 residues pruned to eliminate duplicates Z: 7 4.346 2.417 0.235 0.172 0.667 0.167 CA 1.328 7 residues pruned to eliminate duplicates Z: 20 20.594 2.416 0.556 0.345 0.947 0.526 CB 1.570 20 residues pruned to eliminate duplicates Z: 59 46.890 2.395 0.891 0.470 0.862 0.534 CB 1.625 59 residues pruned to eliminate duplicates Z: 44 54.885 2.520 1.023 0.544 0.930 0.581 CB 1.690 44 residues pruned to eliminate duplicates Z: 45 41.480 2.391 0.879 0.488 0.909 0.432 CB 1.550 45 residues pruned to eliminate duplicates Z: 48 52.186 2.433 1.095 0.507 0.894 0.511 CB 1.660 48 residues pruned to eliminate duplicates Z: 32 43.188 2.550 1.025 0.504 0.903 0.548 CB 1.656 32 residues pruned to eliminate duplicates 662 residues left after pruning, divided into chains as follows: A: 22 B: 7 C: 9 D: 11 E: 7 F: 12 G: 10 H: 11 I: 6 J: 7 K: 10 L: 243 M: 33 N: 44 O: 230 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.89 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.727, Connect. = 0.718 for dens.mod. cycle 1 = 0.301, Contrast = 0.852, Connect. = 0.753 for dens.mod. cycle 2 = 0.301, Contrast = 1.021, Connect. = 0.787 for dens.mod. cycle 3 = 0.301, Contrast = 1.051, Connect. = 0.790 for dens.mod. cycle 4 = 0.301, Contrast = 1.080, Connect. = 0.793 for dens.mod. cycle 5 = 0.301, Contrast = 1.091, Connect. = 0.795 for dens.mod. cycle 6 = 0.301, Contrast = 1.104, Connect. = 0.797 for dens.mod. cycle 7 = 0.301, Contrast = 1.108, Connect. = 0.799 for dens.mod. cycle 8 = 0.301, Contrast = 1.113, Connect. = 0.800 for dens.mod. cycle 9 = 0.301, Contrast = 1.114, Connect. = 0.801 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.60 - 3.64 - 3.18 - 2.88 - 2.67 - 2.52 - 2.39 - 2.28 - 2.19 - 2.10 0.778 0.793 0.770 0.738 0.707 0.697 0.697 0.677 0.650 0.625 0.889 0.909 0.888 0.876 0.855 0.845 0.837 0.814 0.786 0.761 N 10013 10052 9952 10293 10224 9492 10279 10571 9991 9173 Estimated mean FOM = 0.714 Pseudo-free CC = 73.34 % TimeTaking 374.55