null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:25:14 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.ins Phases from ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.phi Native data from ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.hkl Listing output to ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.lst Phases output to ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.phs Poly-Ala trace output to ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 50386 Reflections read from file ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.phi 50386 Reflections read from file ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.hkl 50386 Unique data, highest resolution = 2.000 Angstroms Anisotropic scaling: intensities multiplied by 0.000483h^2 -0.000145k^2 -0.000005l^2 +0.000000kl +0.000000hl +0.000000hk 169 Reflections with d > 2.200 and 0 in range 2.200 > d > 2.000 added Density sharpening factor set to 0.75 Fourier grid = 128 x 256 x 46 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.742 = 0.300, Contrast = 0.426, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.451, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.524, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.760 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.764 for dens.mod. cycle 5 = 0.300, Contrast = 0.558, Connect. = 0.767 for dens.mod. cycle 6 = 0.300, Contrast = 0.563, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.770 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.772 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3993 peaks > 0.5 sigma used to seed fragment search Space for about 810 unique residues taking solvent into account 831 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 27.182 2.059 1.097 0.606 0.905 0.619 CB 1.373 B: 9 12.208 1.977 1.346 0.393 0.875 0.375 CA 1.192 C: 10 8.564 1.680 0.420 0.472 1.000 0.556 CB 1.231 D: 39 29.573 2.010 0.809 0.470 0.947 0.579 CB 1.435 E: 23 17.991 1.757 0.762 0.510 0.955 0.682 CB 1.285 2 residues pruned to eliminate duplicates F: 28 15.284 1.863 0.626 0.425 0.852 0.519 CB 1.232 G: 7 17.372 2.102 1.404 0.703 0.833 0.833 CB 1.400 H: 27 18.093 1.858 0.465 0.498 0.923 0.615 CA 1.415 I: 10 11.629 1.998 0.929 0.475 0.778 0.556 CB 1.327 J: 15 24.398 1.983 0.918 0.711 0.929 0.786 CA 1.525 15 residues pruned to eliminate duplicates K: 17 17.998 1.849 0.883 0.629 0.875 0.625 CB 1.308 8 residues pruned to eliminate duplicates L: 25 27.666 2.020 0.978 0.501 0.917 0.750 CA 1.541 M: 12 18.177 1.987 1.250 0.640 0.818 0.727 CB 1.315 N: 27 31.898 2.017 1.101 0.686 0.885 0.731 CB 1.407 29 residues pruned to eliminate duplicates O: 21 21.015 2.008 0.857 0.464 0.950 0.600 CB 1.375 P: 28 30.454 2.020 0.981 0.577 0.852 0.630 CB 1.596 28 residues pruned to eliminate duplicates Q: 14 18.205 1.886 0.918 0.657 0.846 0.615 CA 1.426 14 residues pruned to eliminate duplicates R: 15 16.333 1.878 1.031 0.438 0.929 0.643 CA 1.313 9 residues pruned to eliminate duplicates S: 25 18.128 1.961 0.738 0.449 0.792 0.500 CB 1.444 25 residues pruned to eliminate duplicates T: 24 21.664 1.989 0.703 0.464 1.000 0.739 CB 1.383 10 residues pruned to eliminate duplicates U: 36 26.206 1.884 0.926 0.573 0.857 0.600 CB 1.326 36 residues pruned to eliminate duplicates V: 13 17.788 2.051 0.973 0.488 0.833 0.667 CB 1.541 13 residues pruned to eliminate duplicates W: 15 21.569 1.853 0.919 0.662 1.000 0.857 CB 1.395 X: 82 40.511 1.918 0.769 0.489 0.938 0.679 CB 1.430 20 residues pruned to eliminate duplicates Y: 17 18.042 1.947 0.638 0.607 0.938 0.812 CA 1.363 17 residues pruned to eliminate duplicates Z: 13 15.885 1.785 0.760 0.579 1.000 0.583 CB 1.353 13 residues pruned to eliminate duplicates Z: 16 13.544 1.842 0.401 0.588 0.867 0.600 N 1.438 16 residues pruned to eliminate duplicates Z: 97 41.594 1.974 0.728 0.446 0.927 0.583 CB 1.419 87 residues pruned to eliminate duplicates Z: 15 18.802 1.998 0.663 0.591 0.929 0.643 CB 1.493 15 residues pruned to eliminate duplicates Z: 6 4.878 1.815 0.183 0.485 0.800 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 48 21.329 1.908 0.561 0.427 0.872 0.489 CB 1.292 32 residues pruned to eliminate duplicates Z: 19 9.820 1.676 0.629 0.428 0.833 0.333 CB 1.097 Z: 6 3.877 1.612 1.062 0.481 0.600 0.600 CB 0.886 Z: 96 38.959 1.965 0.700 0.471 0.895 0.600 CB 1.377 88 residues pruned to eliminate duplicates Z: 52 33.234 1.966 0.818 0.544 0.882 0.608 CB 1.414 62 residues pruned to eliminate duplicates Z: 10 19.008 2.027 1.027 0.762 0.889 0.778 CA 1.375 10 residues pruned to eliminate duplicates Z: 12 10.544 1.879 0.631 0.444 0.818 0.636 CA 1.344 Z: 8 7.076 1.821 0.862 0.508 0.714 0.571 CB 1.095 6 residues pruned to eliminate duplicates Z: 21 22.414 1.940 0.780 0.555 0.900 0.600 CA 1.529 15 residues pruned to eliminate duplicates Z: 24 16.128 1.917 0.595 0.473 0.826 0.478 CA 1.368 24 residues pruned to eliminate duplicates Z: 44 22.014 1.935 0.601 0.449 0.884 0.558 CB 1.292 44 residues pruned to eliminate duplicates Z: 27 18.449 1.957 0.694 0.492 0.885 0.538 CA 1.243 12 residues pruned to eliminate duplicates Z: 25 14.361 1.916 0.508 0.391 0.875 0.458 CB 1.301 Z: 23 15.796 1.969 0.592 0.433 0.818 0.500 CB 1.407 23 residues pruned to eliminate duplicates Z: 25 10.968 1.844 0.424 0.398 0.792 0.542 CB 1.199 Z: 8 15.251 1.821 1.006 0.644 0.857 0.714 CA 1.609 8 residues pruned to eliminate duplicates Z: 23 16.399 1.975 0.751 0.410 0.773 0.636 CB 1.437 17 residues pruned to eliminate duplicates Z: 26 14.626 1.885 0.578 0.402 0.800 0.480 CB 1.362 26 residues pruned to eliminate duplicates Z: 67 34.471 1.932 0.882 0.504 0.894 0.621 CB 1.300 67 residues pruned to eliminate duplicates Z: 15 13.376 1.883 0.632 0.475 0.929 0.571 CB 1.285 15 residues pruned to eliminate duplicates Z: 22 22.723 1.920 0.983 0.612 0.857 0.714 CB 1.367 22 residues pruned to eliminate duplicates Z: 6 5.615 1.816 0.344 0.760 0.800 0.800 CB 1.020 Z: 49 25.359 1.961 0.796 0.425 0.875 0.562 CB 1.285 41 residues pruned to eliminate duplicates Z: 41 20.960 1.980 0.599 0.473 0.900 0.575 CB 1.195 19 residues pruned to eliminate duplicates Z: 25 13.702 1.920 0.559 0.402 0.833 0.542 CB 1.243 25 residues pruned to eliminate duplicates Z: 27 22.252 1.891 0.869 0.532 0.885 0.692 CA 1.353 27 residues pruned to eliminate duplicates Z: 27 19.041 1.987 0.788 0.372 0.923 0.500 CB 1.306 27 residues pruned to eliminate duplicates Z: 43 22.036 1.990 0.620 0.451 0.881 0.548 CB 1.259 43 residues pruned to eliminate duplicates Z: 23 19.864 1.988 0.939 0.432 0.909 0.545 CB 1.297 10 residues pruned to eliminate duplicates Z: 31 20.353 1.828 0.802 0.474 0.900 0.667 CA 1.286 31 residues pruned to eliminate duplicates Z: 13 6.457 2.008 0.326 0.328 0.667 0.500 CA 1.267 13 residues pruned to eliminate duplicates Z: 73 39.183 1.955 0.781 0.518 0.917 0.639 CA 1.422 73 residues pruned to eliminate duplicates Z: 23 16.086 1.953 0.782 0.409 0.818 0.636 CB 1.325 23 residues pruned to eliminate duplicates Z: 60 39.365 2.070 0.887 0.515 0.915 0.559 CA 1.412 64 residues pruned to eliminate duplicates Z: 28 24.707 1.959 0.786 0.456 0.963 0.667 CB 1.477 28 residues pruned to eliminate duplicates Z: 17 12.270 1.881 0.575 0.457 0.750 0.625 CB 1.442 17 residues pruned to eliminate duplicates Z: 26 17.222 1.860 0.565 0.472 0.960 0.560 CB 1.268 26 residues pruned to eliminate duplicates Z: 16 13.431 1.880 0.513 0.500 0.933 0.667 CB 1.307 16 residues pruned to eliminate duplicates Z: 61 31.131 1.926 0.733 0.449 0.933 0.617 CA 1.359 61 residues pruned to eliminate duplicates Z: 14 17.503 1.953 0.804 0.596 0.923 0.615 CA 1.362 14 residues pruned to eliminate duplicates Z: 34 22.673 1.902 0.786 0.507 0.818 0.606 CB 1.411 34 residues pruned to eliminate duplicates Z: 97 44.678 2.039 0.766 0.460 0.896 0.531 CA 1.473 75 residues pruned to eliminate duplicates Z: 12 14.792 1.949 0.796 0.653 0.818 0.545 CA 1.351 12 residues pruned to eliminate duplicates Z: 84 37.839 1.988 0.715 0.452 0.904 0.542 CB 1.416 84 residues pruned to eliminate duplicates Z: 19 15.945 1.956 0.870 0.386 0.833 0.722 CA 1.392 19 residues pruned to eliminate duplicates Z: 15 23.159 2.020 0.934 0.707 0.929 0.714 CB 1.413 15 residues pruned to eliminate duplicates Z: 14 14.062 1.960 0.862 0.435 0.846 0.615 CA 1.350 14 residues pruned to eliminate duplicates Z: 10 8.995 1.659 1.058 0.501 0.778 0.556 CB 1.128 Z: 31 24.246 1.927 0.769 0.536 0.933 0.533 CB 1.343 31 residues pruned to eliminate duplicates Z: 24 15.254 1.876 0.518 0.438 0.826 0.565 CA 1.442 24 residues pruned to eliminate duplicates Z: 28 18.721 1.942 0.688 0.468 0.889 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 16 15.600 1.893 0.762 0.526 0.867 0.600 CA 1.358 16 residues pruned to eliminate duplicates Z: 9 14.562 2.056 1.023 0.538 0.875 0.750 CB 1.362 Z: 28 19.071 1.987 0.620 0.381 0.889 0.444 CB 1.457 28 residues pruned to eliminate duplicates Z: 28 24.167 1.959 0.875 0.482 0.889 0.630 CB 1.450 28 residues pruned to eliminate duplicates Z: 9 5.730 1.616 0.933 0.604 0.750 0.750 CB 0.783 9 residues pruned to eliminate duplicates Z: 17 8.305 1.800 0.562 0.310 0.875 0.375 CB 1.042 16 residues pruned to eliminate duplicates Z: 36 20.199 1.962 0.700 0.456 0.857 0.571 CB 1.249 37 residues pruned to eliminate duplicates Z: 25 28.848 2.021 0.854 0.562 0.958 0.750 CA 1.544 25 residues pruned to eliminate duplicates Z: 14 6.934 1.624 0.938 0.291 0.846 0.462 CB 0.913 14 residues pruned to eliminate duplicates Z: 50 21.427 1.957 0.568 0.400 0.898 0.510 CB 1.234 48 residues pruned to eliminate duplicates Z: 22 22.455 1.986 0.723 0.616 0.905 0.714 CB 1.419 22 residues pruned to eliminate duplicates Z: 19 21.101 2.014 0.877 0.600 0.889 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 12 15.102 2.013 0.687 0.445 0.909 0.455 CA 1.560 12 residues pruned to eliminate duplicates Z: 46 34.679 1.956 0.939 0.562 0.889 0.644 CB 1.444 46 residues pruned to eliminate duplicates Z: 11 10.374 1.718 0.955 0.598 0.800 0.600 CA 1.112 10 residues pruned to eliminate duplicates Z: 58 37.995 2.034 0.922 0.504 0.912 0.596 CA 1.406 58 residues pruned to eliminate duplicates Z: 6 5.800 1.819 0.216 0.536 0.800 0.600 CA 1.414 6 residues pruned to eliminate duplicates Z: 12 11.026 1.840 0.723 0.465 0.909 0.545 CA 1.195 12 residues pruned to eliminate duplicates Z: 16 12.996 1.798 0.726 0.511 0.867 0.533 CB 1.234 16 residues pruned to eliminate duplicates Z: 13 15.812 1.988 1.085 0.449 0.833 0.500 CA 1.393 13 residues pruned to eliminate duplicates Z: 15 21.994 2.012 0.792 0.654 0.929 0.857 CB 1.522 15 residues pruned to eliminate duplicates Z: 15 14.853 2.059 0.685 0.431 0.857 0.357 CA 1.433 15 residues pruned to eliminate duplicates Z: 23 17.276 1.992 0.716 0.429 0.864 0.500 CB 1.342 23 residues pruned to eliminate duplicates Z: 33 16.498 1.837 0.660 0.373 0.844 0.594 CB 1.298 33 residues pruned to eliminate duplicates Z: 35 27.514 1.902 0.789 0.528 0.941 0.676 CA 1.433 35 residues pruned to eliminate duplicates Z: 12 13.591 1.714 0.862 0.582 1.000 0.727 CA 1.187 12 residues pruned to eliminate duplicates Z: 35 24.691 2.024 0.827 0.541 0.912 0.647 CB 1.207 42 residues pruned to eliminate duplicates Z: 19 17.780 2.042 0.364 0.537 1.000 0.722 CB 1.450 19 residues pruned to eliminate duplicates Z: 14 14.515 1.939 0.887 0.414 0.923 0.462 CA 1.304 14 residues pruned to eliminate duplicates Z: 59 33.608 1.951 0.865 0.536 0.879 0.707 CB 1.332 59 residues pruned to eliminate duplicates Z: 10 11.680 1.957 0.777 0.438 0.889 0.556 CA 1.343 10 residues pruned to eliminate duplicates Z: 6 8.370 2.169 0.615 0.362 0.800 0.600 CB 1.550 6 residues pruned to eliminate duplicates Z: 39 25.577 1.904 0.876 0.478 0.868 0.474 CB 1.368 39 residues pruned to eliminate duplicates Z: 55 31.500 1.995 0.738 0.437 0.926 0.611 CB 1.426 55 residues pruned to eliminate duplicates Z: 28 15.811 1.874 0.558 0.449 0.889 0.630 CB 1.236 28 residues pruned to eliminate duplicates Z: 12 16.744 1.734 0.849 0.654 1.000 0.909 CB 1.364 12 residues pruned to eliminate duplicates Z: 8 6.392 1.545 0.476 0.521 0.857 0.429 CB 1.211 Z: 26 23.453 1.903 0.852 0.553 0.920 0.720 CA 1.373 26 residues pruned to eliminate duplicates Z: 32 27.603 2.021 0.908 0.577 0.871 0.677 CB 1.370 32 residues pruned to eliminate duplicates Z: 29 21.062 1.883 0.494 0.595 0.964 0.607 CB 1.340 29 residues pruned to eliminate duplicates Z: 18 19.010 1.895 0.998 0.542 0.824 0.529 CB 1.419 18 residues pruned to eliminate duplicates Z: 14 18.038 2.016 0.929 0.456 0.923 0.692 CA 1.458 14 residues pruned to eliminate duplicates Z: 25 19.133 1.912 0.867 0.416 0.875 0.542 CB 1.365 24 residues pruned to eliminate duplicates Z: 8 12.144 1.820 0.739 0.518 1.000 0.714 CA 1.425 Z: 12 7.968 1.908 0.482 0.359 0.727 0.455 CA 1.359 6 residues pruned to eliminate duplicates Z: 59 35.130 2.031 0.784 0.501 0.879 0.586 CA 1.447 59 residues pruned to eliminate duplicates Z: 7 4.182 1.713 0.348 0.335 0.667 0.500 CB 1.328 Z: 7 8.516 1.776 0.772 0.467 0.833 0.500 CA 1.371 7 residues pruned to eliminate duplicates Z: 10 5.987 1.606 0.843 0.418 0.778 0.333 CA 0.944 10 residues pruned to eliminate duplicates Z: 51 35.643 2.029 0.833 0.483 0.900 0.620 CA 1.532 51 residues pruned to eliminate duplicates Z: 6 3.387 1.152 1.504 0.589 0.800 0.200 CA 0.603 6 residues pruned to eliminate duplicates Z: 10 7.015 1.587 0.831 0.710 0.778 0.667 CB 0.855 Z: 14 15.713 1.931 1.040 0.513 0.923 0.462 CB 1.183 12 residues pruned to eliminate duplicates Z: 31 16.843 1.924 0.601 0.383 0.900 0.433 CA 1.256 26 residues pruned to eliminate duplicates Z: 61 29.735 1.887 0.675 0.486 0.883 0.567 CA 1.394 61 residues pruned to eliminate duplicates 6 1.710 1.483 0.144 0.455 0.600 0.200 CA 0.787 ? Z: 17 16.948 1.929 1.101 0.510 0.875 0.562 CB 1.183 17 residues pruned to eliminate duplicates Z: 23 18.309 1.901 0.731 0.461 0.864 0.455 CB 1.429 23 residues pruned to eliminate duplicates Z: 66 32.004 2.015 0.748 0.431 0.877 0.662 CB 1.381 66 residues pruned to eliminate duplicates Z: 16 12.022 1.902 0.642 0.570 0.733 0.533 CB 1.266 16 residues pruned to eliminate duplicates Z: 10 18.720 2.051 1.292 0.672 1.000 0.778 CB 1.133 10 residues pruned to eliminate duplicates Z: 40 29.550 2.032 0.707 0.539 0.897 0.590 CB 1.463 40 residues pruned to eliminate duplicates Z: 14 6.791 1.808 0.445 0.389 0.846 0.462 CB 0.958 5 residues pruned to eliminate duplicates Z: 10 10.232 1.823 -0.043 0.781 1.000 0.778 O 1.525 Z: 6 7.994 1.828 -0.034 0.857 1.000 0.800 C 1.492 Z: 7 4.481 1.726 0.250 0.731 0.667 0.333 CA 1.033 7 residues pruned to eliminate duplicates Z: 20 17.519 1.831 0.630 0.563 0.895 0.684 CB 1.416 20 residues pruned to eliminate duplicates Z: 38 35.364 2.093 0.899 0.549 0.946 0.730 CB 1.474 38 residues pruned to eliminate duplicates Z: 6 4.410 1.596 0.549 0.347 0.800 0.400 CB 1.178 6 residues pruned to eliminate duplicates Z: 13 14.036 1.926 1.031 0.473 0.917 0.500 CA 1.161 13 residues pruned to eliminate duplicates Z: 63 36.796 1.949 0.885 0.520 0.903 0.629 CA 1.380 63 residues pruned to eliminate duplicates Z: 10 12.787 2.014 0.773 0.580 0.889 0.556 CB 1.243 8 residues pruned to eliminate duplicates Z: 36 18.797 1.966 0.686 0.416 0.800 0.371 CB 1.308 36 residues pruned to eliminate duplicates Z: 32 20.535 1.958 0.802 0.418 0.839 0.484 CB 1.359 32 residues pruned to eliminate duplicates Z: 11 16.745 1.897 0.742 0.718 0.900 0.800 CB 1.463 11 residues pruned to eliminate duplicates Z: 12 11.901 1.911 0.987 0.510 0.818 0.818 CB 1.143 14 residues pruned to eliminate duplicates Z: 13 15.135 1.909 0.708 0.513 0.917 0.583 CA 1.443 13 residues pruned to eliminate duplicates Z: 7 6.041 1.720 0.435 0.813 0.667 0.500 CB 1.142 7 residues pruned to eliminate duplicates Z: 52 36.579 2.046 0.828 0.535 0.922 0.529 CB 1.436 52 residues pruned to eliminate duplicates Z: 9 9.325 1.763 0.512 0.574 0.875 0.500 CA 1.316 9 residues pruned to eliminate duplicates Z: 15 6.661 1.649 0.537 0.337 0.786 0.571 CB 1.069 15 residues pruned to eliminate duplicates Z: 11 7.985 1.886 0.192 0.472 0.800 0.700 CA 1.444 11 residues pruned to eliminate duplicates Z: 11 12.484 1.899 0.767 0.570 0.900 0.600 CA 1.221 11 residues pruned to eliminate duplicates Z: 79 39.872 1.982 0.736 0.511 0.936 0.667 CA 1.386 79 residues pruned to eliminate duplicates Z: 31 30.144 2.038 0.889 0.513 0.967 0.700 CA 1.460 31 residues pruned to eliminate duplicates Z: 6 6.543 1.710 0.381 0.814 0.800 0.600 CB 1.178 6 residues pruned to eliminate duplicates Z: 73 42.180 1.973 0.766 0.546 0.958 0.708 CA 1.423 73 residues pruned to eliminate duplicates Z: 12 11.626 1.918 0.965 0.492 0.818 0.636 CB 1.146 10 residues pruned to eliminate duplicates Z: 10 7.006 1.725 0.666 0.455 0.889 0.556 CB 0.957 Z: 15 10.849 1.742 0.679 0.567 0.786 0.571 CB 1.183 15 residues pruned to eliminate duplicates Z: 9 5.648 1.695 0.306 0.540 0.750 0.625 CB 1.157 Z: 8 5.617 1.905 0.308 0.442 1.000 0.429 CB 0.905 8 residues pruned to eliminate duplicates Z: 31 20.204 1.969 0.695 0.415 0.900 0.467 CA 1.342 31 residues pruned to eliminate duplicates Z: 6 3.294 1.641 0.195 0.288 0.800 0.400 CA 1.191 6 residues pruned to eliminate duplicates Z: 23 17.763 2.032 0.566 0.523 0.955 0.500 CB 1.218 28 residues pruned to eliminate duplicates Z: 12 9.810 1.825 0.617 0.603 0.818 0.727 CB 1.111 12 residues pruned to eliminate duplicates Z: 69 33.721 1.917 0.774 0.487 0.912 0.574 CB 1.336 69 residues pruned to eliminate duplicates Z: 61 37.023 2.030 0.858 0.507 0.933 0.617 CA 1.349 61 residues pruned to eliminate duplicates Z: 7 5.247 1.605 0.937 0.463 0.833 0.833 CB 0.859 7 residues pruned to eliminate duplicates Z: 12 10.767 1.878 1.022 0.494 0.727 0.545 CB 1.182 11 residues pruned to eliminate duplicates Z: 14 19.499 2.023 0.639 0.635 1.000 0.769 CA 1.437 14 residues pruned to eliminate duplicates Z: 17 6.818 1.604 0.231 0.313 0.750 0.375 N 1.415 17 residues pruned to eliminate duplicates Z: 10 6.394 1.612 0.250 0.443 0.889 0.778 CB 1.262 Z: 32 22.691 1.979 0.925 0.423 0.903 0.355 CA 1.283 32 residues pruned to eliminate duplicates Z: 16 6.176 1.497 0.381 0.290 0.800 0.333 CB 1.220 14 residues pruned to eliminate duplicates Z: 14 15.220 1.935 0.716 0.511 0.923 0.615 CA 1.362 22 residues pruned to eliminate duplicates Z: 7 9.596 1.998 0.011 0.833 1.000 0.833 CB 1.455 Z: 15 7.124 1.748 0.284 0.395 0.786 0.429 CB 1.207 18 residues pruned to eliminate duplicates Z: 22 15.002 1.979 0.718 0.365 0.810 0.524 CB 1.375 22 residues pruned to eliminate duplicates Z: 49 32.661 1.920 0.853 0.545 0.896 0.708 CA 1.415 49 residues pruned to eliminate duplicates Z: 6 8.866 1.499 0.669 0.801 1.000 0.600 C 1.218 Z: 15 9.159 1.710 0.907 0.419 0.786 0.571 CB 1.040 19 residues pruned to eliminate duplicates Z: 19 12.557 1.698 0.307 0.562 0.944 0.389 CB 1.330 19 residues pruned to eliminate duplicates Z: 7 4.535 1.557 0.897 0.338 0.667 0.667 N 1.122 Z: 8 5.499 1.638 0.443 0.491 0.857 0.571 CB 1.035 9 residues pruned to eliminate duplicates Z: 32 19.496 1.981 0.541 0.456 0.903 0.613 CB 1.329 32 residues pruned to eliminate duplicates Z: 31 14.210 1.814 0.583 0.401 0.833 0.633 CB 1.203 31 residues pruned to eliminate duplicates Z: 13 12.823 1.968 0.803 0.555 0.833 0.500 CB 1.187 13 residues pruned to eliminate duplicates Z: 19 10.950 1.650 0.807 0.385 0.833 0.556 CB 1.174 19 residues pruned to eliminate duplicates Z: 8 3.900 1.667 0.127 0.388 0.857 0.571 CB 1.031 8 residues pruned to eliminate duplicates Z: 79 41.385 2.034 0.690 0.517 0.936 0.615 CB 1.433 79 residues pruned to eliminate duplicates Z: 38 20.614 1.957 0.605 0.422 0.919 0.595 CB 1.274 38 residues pruned to eliminate duplicates Z: 54 33.775 1.980 0.749 0.501 0.943 0.642 CA 1.418 54 residues pruned to eliminate duplicates Z: 43 20.457 1.930 0.713 0.428 0.905 0.500 CB 1.137 43 residues pruned to eliminate duplicates Z: 32 30.422 2.063 0.737 0.554 0.968 0.710 CB 1.495 32 residues pruned to eliminate duplicates Z: 17 9.608 1.889 0.461 0.392 0.750 0.375 CA 1.301 17 residues pruned to eliminate duplicates Z: 36 15.774 1.800 0.624 0.380 0.857 0.514 CB 1.210 36 residues pruned to eliminate duplicates Z: 10 12.283 1.852 0.849 0.521 0.889 0.778 CA 1.317 10 residues pruned to eliminate duplicates Z: 8 2.214 1.381 0.619 0.351 1.000 0.429 CB 0.440 Z: 10 6.676 1.710 -0.181 0.591 1.000 0.667 CB 1.456 9 residues pruned to eliminate duplicates Z: 28 17.071 1.986 0.723 0.378 0.889 0.444 CB 1.231 28 residues pruned to eliminate duplicates Z: 8 2.437 1.503 0.140 0.219 0.714 0.571 CA 1.046 6 residues pruned to eliminate duplicates Z: 16 16.263 1.929 0.538 0.556 0.867 0.533 CA 1.546 16 residues pruned to eliminate duplicates Z: 13 7.580 1.577 0.247 0.565 0.833 0.667 CB 1.253 7 residues pruned to eliminate duplicates Z: 12 4.712 1.606 -0.168 0.573 0.909 0.545 O 1.090 12 residues pruned to eliminate duplicates Z: 16 6.785 1.806 0.218 0.357 0.867 0.533 CB 1.072 16 residues pruned to eliminate duplicates Z: 13 10.448 1.883 0.580 0.516 0.917 0.667 CB 1.088 13 residues pruned to eliminate duplicates Z: 9 3.954 1.343 0.124 0.438 0.875 0.500 O 1.129 Z: 43 22.439 2.016 0.731 0.372 0.881 0.500 CB 1.292 43 residues pruned to eliminate duplicates Z: 8 4.584 1.795 0.657 0.344 0.714 0.429 CA 0.967 Z: 13 8.464 1.707 0.486 0.504 0.833 0.583 CB 1.152 7 residues pruned to eliminate duplicates Z: 32 27.512 2.026 0.810 0.478 0.968 0.613 CB 1.424 32 residues pruned to eliminate duplicates Z: 11 17.657 1.964 0.937 0.610 0.900 0.800 CB 1.470 11 residues pruned to eliminate duplicates Z: 27 21.496 1.894 0.776 0.498 0.962 0.692 CA 1.306 27 residues pruned to eliminate duplicates Z: 12 5.736 1.572 0.080 0.481 0.818 0.545 CB 1.270 11 residues pruned to eliminate duplicates Z: 9 7.948 1.876 -0.153 0.853 1.000 1.000 CB 1.308 9 residues pruned to eliminate duplicates Z: 70 40.356 2.044 0.827 0.481 0.913 0.594 CA 1.452 70 residues pruned to eliminate duplicates Z: 12 6.257 1.690 0.581 0.379 0.727 0.455 CB 1.105 Z: 12 7.736 1.773 0.512 0.503 0.727 0.455 CB 1.193 12 residues pruned to eliminate duplicates Z: 73 40.466 1.960 0.663 0.530 0.944 0.750 CA 1.503 73 residues pruned to eliminate duplicates Z: 7 4.829 1.576 0.934 0.353 0.667 0.500 CB 1.138 Z: 16 10.384 1.911 0.298 0.571 0.867 0.533 CB 1.165 16 residues pruned to eliminate duplicates Z: 58 32.097 1.944 0.782 0.504 0.895 0.579 CA 1.366 58 residues pruned to eliminate duplicates Z: 6 7.282 1.654 0.853 0.652 1.000 0.800 CB 0.923 Z: 6 6.349 1.703 0.905 0.498 1.000 0.600 CB 0.877 Z: 14 6.195 1.639 0.328 0.249 0.923 0.308 CB 1.142 14 residues pruned to eliminate duplicates Z: 27 20.789 1.898 0.869 0.475 0.885 0.769 CA 1.332 27 residues pruned to eliminate duplicates Z: 9 3.851 1.528 0.527 0.375 0.875 0.500 CB 0.762 8 residues pruned to eliminate duplicates Z: 14 9.392 1.715 0.527 0.575 0.846 0.538 CB 1.093 14 residues pruned to eliminate duplicates Z: 17 11.186 1.841 0.602 0.507 0.750 0.625 CA 1.255 17 residues pruned to eliminate duplicates Z: 10 3.310 1.528 0.353 0.356 0.667 0.444 CB 0.935 10 residues pruned to eliminate duplicates Z: 22 10.984 1.906 0.494 0.419 0.762 0.524 CB 1.202 22 residues pruned to eliminate duplicates Z: 33 20.514 1.889 0.834 0.396 0.875 0.594 CA 1.335 33 residues pruned to eliminate duplicates Z: 15 14.445 1.880 0.846 0.591 0.929 0.571 CB 1.098 15 residues pruned to eliminate duplicates Z: 14 5.724 1.804 0.060 0.464 0.846 0.385 CB 1.017 7 residues pruned to eliminate duplicates Z: 21 10.380 1.789 0.709 0.334 0.750 0.400 CA 1.215 25 residues pruned to eliminate duplicates Z: 15 20.896 1.871 0.886 0.580 1.000 0.643 CB 1.465 15 residues pruned to eliminate duplicates Z: 38 25.156 1.935 0.726 0.538 0.892 0.649 CB 1.337 38 residues pruned to eliminate duplicates Z: 60 30.362 1.942 0.770 0.480 0.864 0.644 CB 1.358 60 residues pruned to eliminate duplicates Z: 7 2.986 1.634 0.231 0.379 0.667 0.500 CA 1.034 7 residues pruned to eliminate duplicates Z: 58 34.537 1.952 0.841 0.540 0.912 0.684 CA 1.342 58 residues pruned to eliminate duplicates Z: 40 24.509 1.848 0.736 0.475 0.949 0.641 CB 1.323 40 residues pruned to eliminate duplicates Z: 7 3.133 1.685 0.081 0.497 0.667 0.500 C 1.057 7 residues pruned to eliminate duplicates Z: 7 4.242 1.751 -0.356 0.674 1.000 0.500 CB 1.307 Z: 7 13.730 1.654 0.948 0.813 1.000 0.833 CB 1.326 8 residues pruned to eliminate duplicates Z: 8 8.278 1.738 0.525 0.486 1.000 0.571 CA 1.197 8 residues pruned to eliminate duplicates Z: 33 19.977 1.910 0.777 0.389 0.875 0.594 CA 1.337 33 residues pruned to eliminate duplicates Z: 7 17.180 1.945 1.169 0.701 1.000 0.667 CB 1.385 7 residues pruned to eliminate duplicates Z: 9 3.938 1.537 0.294 0.597 0.875 0.750 CB 0.730 10 residues pruned to eliminate duplicates Z: 17 9.846 1.750 0.642 0.438 0.750 0.438 CB 1.219 17 residues pruned to eliminate duplicates Z: 12 5.182 1.808 0.388 0.392 0.818 0.636 CA 0.853 12 residues pruned to eliminate duplicates Z: 12 17.764 1.962 0.770 0.630 0.909 0.727 CB 1.502 12 residues pruned to eliminate duplicates Z: 15 15.207 1.864 0.469 0.509 1.000 0.500 CA 1.471 15 residues pruned to eliminate duplicates Z: 59 33.594 1.952 0.877 0.534 0.879 0.603 CB 1.324 59 residues pruned to eliminate duplicates Z: 15 13.924 1.856 0.560 0.519 0.929 0.643 CA 1.358 15 residues pruned to eliminate duplicates Z: 35 21.438 1.918 0.748 0.486 0.882 0.559 CB 1.260 35 residues pruned to eliminate duplicates Z: 19 18.206 1.938 0.770 0.580 0.889 0.722 CA 1.303 19 residues pruned to eliminate duplicates Z: 6 5.014 1.725 0.436 0.494 0.800 0.600 CA 1.138 Z: 22 10.866 1.724 0.624 0.316 0.810 0.524 CB 1.282 34 residues pruned to eliminate duplicates Z: 16 12.618 1.876 0.696 0.496 0.867 0.667 CB 1.186 16 residues pruned to eliminate duplicates Z: 17 15.038 1.968 0.589 0.578 0.812 0.688 CA 1.373 17 residues pruned to eliminate duplicates Z: 10 8.511 1.756 0.494 0.538 1.000 0.556 CA 1.042 10 residues pruned to eliminate duplicates Z: 29 22.864 1.789 0.948 0.605 0.857 0.679 CA 1.308 29 residues pruned to eliminate duplicates Z: 14 9.683 1.840 0.339 0.580 0.923 0.692 CB 1.093 14 residues pruned to eliminate duplicates Z: 62 39.459 2.035 0.966 0.494 0.869 0.525 CB 1.462 62 residues pruned to eliminate duplicates Z: 29 19.307 1.858 0.742 0.454 0.893 0.571 CA 1.323 29 residues pruned to eliminate duplicates Z: 23 26.781 2.029 0.943 0.634 0.909 0.636 CA 1.406 23 residues pruned to eliminate duplicates Z: 64 31.649 1.943 0.811 0.503 0.889 0.524 CB 1.271 64 residues pruned to eliminate duplicates Z: 6 5.043 1.609 0.560 0.480 0.800 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 7 6.185 1.726 -0.133 0.862 1.000 1.000 O 1.240 6 residues pruned to eliminate duplicates Z: 7 2.202 1.438 0.173 0.521 0.833 0.333 CB 0.627 2 residues pruned to eliminate duplicates Z: 14 9.510 1.704 0.733 0.549 0.923 0.538 CB 0.922 Z: 30 24.363 1.881 0.942 0.580 0.897 0.586 CB 1.279 30 residues pruned to eliminate duplicates Z: 59 33.489 1.947 0.757 0.502 0.914 0.655 CB 1.403 59 residues pruned to eliminate duplicates Z: 29 31.467 1.978 1.028 0.638 0.929 0.714 CB 1.403 29 residues pruned to eliminate duplicates Z: 37 20.954 2.034 0.630 0.447 0.889 0.417 CB 1.252 37 residues pruned to eliminate duplicates Z: 95 37.765 1.961 0.752 0.460 0.883 0.606 CB 1.338 95 residues pruned to eliminate duplicates Z: 16 4.712 1.546 0.096 0.265 0.733 0.467 CB 1.280 16 residues pruned to eliminate duplicates Z: 60 23.881 1.936 0.766 0.383 0.797 0.492 CB 1.293 53 residues pruned to eliminate duplicates Z: 26 19.612 2.016 0.565 0.492 0.880 0.640 CB 1.424 26 residues pruned to eliminate duplicates Z: 7 11.215 1.847 0.691 0.871 1.000 1.000 CB 1.069 Z: 10 7.040 1.667 0.167 0.620 0.889 0.667 O 1.212 Z: 44 24.253 1.998 0.713 0.427 0.860 0.512 CB 1.356 44 residues pruned to eliminate duplicates Z: 61 33.175 1.929 0.870 0.506 0.900 0.600 CA 1.312 61 residues pruned to eliminate duplicates Z: 16 9.426 1.691 0.642 0.333 0.933 0.533 CB 1.127 5 residues pruned to eliminate duplicates Z: 7 4.283 1.720 0.209 0.513 0.833 0.333 CB 0.996 Z: 6 5.980 1.734 0.450 0.544 0.800 0.600 N 1.274 6 residues pruned to eliminate duplicates Z: 8 7.140 1.598 0.268 0.500 1.000 0.429 CB 1.332 Z: 6 3.055 1.667 -0.297 0.446 1.000 0.400 CB 1.233 Z: 6 2.810 1.491 0.885 0.298 0.600 0.400 CA 0.934 Z: 19 11.751 1.823 0.794 0.370 0.778 0.389 CB 1.252 25 residues pruned to eliminate duplicates Z: 32 22.776 1.900 0.718 0.537 0.935 0.710 CA 1.293 32 residues pruned to eliminate duplicates Z: 33 25.282 1.975 0.717 0.538 0.938 0.656 CA 1.354 33 residues pruned to eliminate duplicates Z: 9 5.762 1.520 0.521 0.701 1.000 0.875 CB 0.734 9 residues pruned to eliminate duplicates Z: 52 39.395 2.067 0.836 0.542 0.941 0.627 CA 1.483 52 residues pruned to eliminate duplicates Z: 6 4.404 1.569 0.310 0.457 1.000 0.800 CB 1.002 Z: 14 13.116 1.895 0.700 0.443 0.923 0.846 CB 1.297 14 residues pruned to eliminate duplicates Z: 35 34.952 2.047 0.984 0.607 0.912 0.676 CA 1.462 35 residues pruned to eliminate duplicates Z: 6 5.784 1.885 0.324 0.614 1.000 0.800 CA 0.930 6 residues pruned to eliminate duplicates Z: 47 22.269 1.981 0.600 0.410 0.870 0.500 CB 1.310 47 residues pruned to eliminate duplicates Z: 6 6.381 1.574 0.571 0.820 1.000 0.800 CB 0.875 Z: 72 38.379 2.044 0.738 0.520 0.901 0.521 CA 1.395 72 residues pruned to eliminate duplicates Z: 6 5.283 1.858 1.226 0.598 1.000 0.800 CB 0.520 6 residues pruned to eliminate duplicates Z: 51 38.301 2.057 0.776 0.530 0.960 0.540 CA 1.499 51 residues pruned to eliminate duplicates Z: 27 17.893 2.004 0.722 0.407 0.846 0.346 CB 1.325 27 residues pruned to eliminate duplicates Z: 12 7.753 1.908 0.757 0.461 0.727 0.636 CB 0.998 12 residues pruned to eliminate duplicates Z: 8 6.116 1.741 0.022 0.629 0.857 0.571 C 1.342 Z: 45 20.621 1.895 0.629 0.406 0.818 0.500 CB 1.359 45 residues pruned to eliminate duplicates Z: 9 8.911 1.664 0.649 0.538 1.000 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 8 8.371 1.522 0.722 0.848 0.857 0.571 CA 1.045 8 residues pruned to eliminate duplicates Z: 6 4.306 1.603 0.059 0.696 1.000 0.800 CB 0.948 4 residues pruned to eliminate duplicates Z: 6 3.374 1.270 0.734 0.601 0.800 0.800 CB 0.778 6 residues pruned to eliminate duplicates Z: 23 16.648 1.936 0.850 0.488 0.864 0.636 CA 1.162 23 residues pruned to eliminate duplicates Z: 16 11.388 1.904 0.724 0.335 0.800 0.467 CA 1.340 16 residues pruned to eliminate duplicates Z: 14 18.759 1.948 0.763 0.560 1.000 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 22 16.711 2.021 0.514 0.468 0.905 0.476 CB 1.361 22 residues pruned to eliminate duplicates Z: 30 25.341 1.950 0.763 0.580 0.862 0.552 CB 1.469 30 residues pruned to eliminate duplicates Z: 11 12.376 1.704 0.656 0.650 1.000 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 9 5.411 1.555 0.365 0.454 0.875 0.375 N 1.079 Z: 9 6.513 1.676 0.931 0.453 0.875 0.500 CB 0.854 13 residues pruned to eliminate duplicates Z: 27 30.639 2.020 0.941 0.652 0.962 0.615 CB 1.384 27 residues pruned to eliminate duplicates Z: 12 7.368 1.584 0.700 0.440 0.818 0.636 CA 1.072 12 residues pruned to eliminate duplicates Z: 6 8.736 1.681 0.804 0.840 1.000 0.800 N 0.962 Z: 6 3.875 1.516 0.075 0.614 1.000 0.400 CB 0.954 Z: 6 7.259 1.728 0.740 0.520 0.800 0.600 CB 1.324 6 residues pruned to eliminate duplicates Z: 13 10.444 1.789 1.101 0.502 0.750 0.667 CB 1.068 13 residues pruned to eliminate duplicates Z: 27 16.420 1.908 0.571 0.470 0.846 0.500 CB 1.309 27 residues pruned to eliminate duplicates Z: 28 13.609 1.905 0.674 0.526 0.889 0.593 CB 0.900 28 residues pruned to eliminate duplicates Z: 7 9.850 1.660 0.533 0.896 1.000 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 10 8.383 1.827 0.768 0.389 0.889 0.667 CA 1.095 9 residues pruned to eliminate duplicates Z: 6 3.013 1.477 -0.256 0.629 1.000 0.600 CB 1.085 Z: 9 6.316 1.507 0.307 0.546 0.875 0.750 C 1.239 Z: 26 21.721 1.960 0.826 0.465 0.920 0.560 CA 1.367 26 residues pruned to eliminate duplicates Z: 8 2.790 1.263 0.284 0.489 0.857 0.429 CB 0.767 Z: 11 11.519 1.768 0.388 0.669 0.900 0.800 CB 1.411 11 residues pruned to eliminate duplicates Z: 64 37.146 1.957 0.893 0.513 0.921 0.603 CB 1.355 64 residues pruned to eliminate duplicates Z: 6 4.031 1.738 0.360 0.635 0.800 0.600 CB 0.840 6 residues pruned to eliminate duplicates Z: 47 31.939 1.922 0.710 0.515 0.978 0.652 CA 1.443 47 residues pruned to eliminate duplicates Z: 57 36.063 2.061 0.764 0.525 0.911 0.625 CA 1.420 57 residues pruned to eliminate duplicates Z: 18 5.121 1.455 0.137 0.443 0.824 0.588 CB 0.967 Z: 6 6.577 1.869 0.456 0.464 1.000 0.800 CB 1.122 6 residues pruned to eliminate duplicates Z: 9 7.152 1.874 -0.308 0.761 1.000 0.875 CB 1.547 9 residues pruned to eliminate duplicates Z: 6 2.436 1.453 0.332 0.274 0.800 0.600 N 0.909 Z: 21 18.146 1.836 0.822 0.554 0.850 0.750 CA 1.354 21 residues pruned to eliminate duplicates Z: 7 3.917 1.592 0.103 0.782 0.667 0.667 CB 1.066 7 residues pruned to eliminate duplicates Z: 24 16.038 1.952 0.766 0.430 0.826 0.478 CB 1.263 35 residues pruned to eliminate duplicates Z: 8 4.173 1.572 0.772 0.277 0.857 0.429 CB 0.850 Z: 21 19.964 1.879 0.821 0.503 0.900 0.700 CB 1.445 21 residues pruned to eliminate duplicates Z: 6 6.992 1.600 0.619 0.677 0.800 0.600 C 1.282 8 residues pruned to eliminate duplicates Z: 7 6.727 1.579 0.729 0.569 0.833 0.667 CA 1.130 7 residues pruned to eliminate duplicates Z: 51 33.096 2.024 0.718 0.479 0.920 0.560 CA 1.495 51 residues pruned to eliminate duplicates Z: 12 5.818 1.679 0.695 0.454 0.727 0.364 CB 0.888 12 residues pruned to eliminate duplicates Z: 26 15.142 1.880 0.680 0.422 0.840 0.640 CB 1.239 26 residues pruned to eliminate duplicates Z: 9 5.090 1.733 -0.293 0.831 1.000 1.000 CB 1.103 5 residues pruned to eliminate duplicates Z: 7 5.887 1.798 -0.295 0.811 1.000 0.833 CB 1.445 7 residues pruned to eliminate duplicates Z: 15 16.937 1.954 0.962 0.616 0.929 0.714 CA 1.140 15 residues pruned to eliminate duplicates Z: 6 5.485 1.567 0.220 0.683 1.000 1.000 CB 1.085 6 residues pruned to eliminate duplicates Z: 11 10.486 1.823 0.635 0.548 0.900 0.500 CB 1.180 11 residues pruned to eliminate duplicates Z: 39 20.690 1.934 0.654 0.474 0.895 0.421 CB 1.203 39 residues pruned to eliminate duplicates Z: 6 4.809 1.256 0.696 0.424 1.000 0.600 CA 1.092 Z: 15 10.166 1.675 0.820 0.409 0.786 0.429 CA 1.247 15 residues pruned to eliminate duplicates Z: 36 16.332 1.960 0.721 0.400 0.857 0.486 CB 1.061 36 residues pruned to eliminate duplicates Z: 18 13.364 1.960 0.524 0.340 0.824 0.529 CB 1.569 18 residues pruned to eliminate duplicates Z: 19 8.359 1.735 0.531 0.317 0.722 0.444 CB 1.257 19 residues pruned to eliminate duplicates Z: 6 5.495 1.469 0.407 0.830 1.000 1.000 CA 0.894 6 residues pruned to eliminate duplicates Z: 29 20.089 1.920 0.681 0.467 0.893 0.607 CA 1.363 29 residues pruned to eliminate duplicates Z: 41 19.239 1.969 0.696 0.385 0.800 0.500 CB 1.286 41 residues pruned to eliminate duplicates Z: 8 2.608 1.548 0.235 0.196 0.571 0.286 CB 1.296 Z: 10 7.684 1.865 0.851 0.369 1.000 0.556 CB 0.854 10 residues pruned to eliminate duplicates Z: 15 13.364 1.944 0.791 0.433 0.929 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 41 28.832 1.891 1.014 0.516 0.850 0.575 CB 1.385 45 residues pruned to eliminate duplicates Z: 14 5.935 1.715 0.489 0.242 0.923 0.615 CB 0.941 14 residues pruned to eliminate duplicates Z: 7 4.548 1.646 0.444 0.384 0.833 0.500 CA 1.060 7 residues pruned to eliminate duplicates Z: 6 7.116 1.780 0.297 0.583 1.000 0.800 N 1.273 Z: 9 4.813 1.559 0.229 0.447 0.875 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 26 10.127 1.723 0.471 0.283 0.840 0.440 CB 1.216 26 residues pruned to eliminate duplicates Z: 10 9.293 1.561 0.635 0.748 0.778 0.556 CA 1.250 10 residues pruned to eliminate duplicates Z: 12 9.075 1.602 0.265 0.574 0.909 0.727 N 1.384 8 residues pruned to eliminate duplicates Z: 27 9.918 1.717 0.373 0.449 0.692 0.423 CB 1.256 36 residues pruned to eliminate duplicates Z: 7 10.422 1.632 0.636 0.856 1.000 0.833 CB 1.175 7 residues pruned to eliminate duplicates 8 1.444 1.329 -0.318 0.437 0.857 0.429 O 0.750 ? Z: 7 6.956 1.707 0.609 0.575 1.000 0.333 CB 0.962 7 residues pruned to eliminate duplicates Z: 8 7.828 1.691 0.610 0.468 1.000 0.714 CB 1.122 8 residues pruned to eliminate duplicates Z: 19 11.445 1.768 0.509 0.425 0.944 0.500 CB 1.157 19 residues pruned to eliminate duplicates Z: 10 3.727 1.375 0.591 0.358 0.889 0.444 CA 0.745 10 residues pruned to eliminate duplicates Z: 8 2.379 1.507 -0.106 0.411 0.857 0.571 CB 0.855 8 residues pruned to eliminate duplicates Z: 8 2.516 1.669 -0.211 0.426 0.571 0.429 O 1.363 Z: 29 17.066 1.656 0.873 0.444 0.929 0.536 CA 1.186 29 residues pruned to eliminate duplicates Z: 57 33.243 1.964 0.778 0.489 0.946 0.661 CA 1.359 57 residues pruned to eliminate duplicates Z: 26 24.090 1.968 1.034 0.587 0.880 0.600 CB 1.258 26 residues pruned to eliminate duplicates Z: 10 4.203 1.372 0.184 0.705 0.889 0.667 CB 0.805 9 residues pruned to eliminate duplicates Z: 6 7.058 1.844 0.429 0.653 0.800 0.800 CB 1.299 7 1.865 1.407 -0.070 0.458 0.667 0.500 CB 0.910 ? Z: 58 38.001 2.069 0.776 0.528 0.930 0.667 CA 1.433 58 residues pruned to eliminate duplicates Z: 18 12.024 1.947 0.405 0.420 0.941 0.412 CB 1.231 18 residues pruned to eliminate duplicates Z: 11 4.835 1.446 0.134 0.365 0.900 0.500 CB 1.198 Z: 33 18.775 1.901 0.505 0.542 0.812 0.531 CA 1.370 39 residues pruned to eliminate duplicates Z: 6 5.977 1.747 0.109 0.547 1.000 0.600 C 1.317 Z: 6 4.053 1.345 0.124 0.864 1.000 1.000 CA 0.879 6 residues pruned to eliminate duplicates Z: 16 16.178 1.894 0.818 0.529 0.933 0.600 CA 1.263 16 residues pruned to eliminate duplicates Z: 39 32.892 1.984 0.906 0.532 0.947 0.605 CB 1.443 39 residues pruned to eliminate duplicates Z: 6 2.601 1.794 -0.435 0.571 0.800 0.200 CB 1.339 Z: 8 12.299 1.808 0.837 0.494 1.000 0.714 CA 1.408 9 residues pruned to eliminate duplicates 7 1.662 1.511 0.406 0.402 0.500 0.500 CB 0.708 ? Z: 34 18.091 1.931 0.646 0.455 0.879 0.485 CB 1.181 34 residues pruned to eliminate duplicates Z: 9 3.495 1.503 0.514 0.384 0.625 0.375 CB 0.983 Z: 14 14.813 1.918 0.738 0.537 0.846 0.538 CB 1.405 14 residues pruned to eliminate duplicates Z: 7 3.688 1.560 0.009 0.554 0.833 0.667 CB 1.089 Z: 7 4.721 1.639 0.333 0.348 0.833 0.833 CB 1.248 7 residues pruned to eliminate duplicates Z: 8 5.682 1.622 0.484 0.603 1.000 0.714 CB 0.809 16 residues pruned to eliminate duplicates Z: 9 3.474 1.643 -0.255 0.796 1.000 0.875 CB 0.774 Z: 10 13.229 1.928 0.741 0.663 0.889 0.667 CA 1.271 10 residues pruned to eliminate duplicates Z: 42 27.613 2.010 0.633 0.520 0.878 0.659 CB 1.467 42 residues pruned to eliminate duplicates Z: 28 17.719 1.997 0.813 0.387 0.852 0.519 CB 1.247 28 residues pruned to eliminate duplicates Z: 18 7.986 1.672 0.380 0.535 0.765 0.588 CB 1.061 18 residues pruned to eliminate duplicates Z: 8 6.468 1.659 0.299 0.658 1.000 0.571 CB 0.980 8 residues pruned to eliminate duplicates Z: 7 3.474 1.651 0.546 0.361 0.833 0.500 CA 0.774 Z: 11 9.253 1.560 1.138 0.558 0.800 0.700 N 1.037 Z: 23 14.031 1.868 0.455 0.423 0.955 0.773 CA 1.250 23 residues pruned to eliminate duplicates Z: 31 20.278 1.909 0.767 0.460 0.867 0.567 CB 1.319 31 residues pruned to eliminate duplicates Z: 12 15.446 1.908 0.640 0.753 1.000 0.909 CA 1.188 12 residues pruned to eliminate duplicates Z: 8 2.180 1.339 0.532 0.453 0.714 0.571 CB 0.590 Z: 7 3.932 1.548 0.405 0.446 0.667 0.500 CB 1.171 Z: 6 3.662 1.499 -0.027 0.829 1.000 1.000 CB 0.845 Z: 21 8.536 1.678 0.649 0.373 0.800 0.550 CB 0.988 21 residues pruned to eliminate duplicates Z: 10 5.682 1.804 0.508 0.550 0.889 0.556 CB 0.746 10 residues pruned to eliminate duplicates Z: 19 13.528 1.822 0.550 0.490 0.833 0.611 CB 1.369 19 residues pruned to eliminate duplicates 7 1.031 1.397 0.086 0.264 0.500 0.500 CB 0.727 ? Z: 11 9.249 1.884 0.680 0.552 0.900 0.700 CB 0.976 11 residues pruned to eliminate duplicates Z: 7 9.744 1.615 1.018 0.524 1.000 0.667 N 1.193 3 residues pruned to eliminate duplicates Z: 11 10.106 2.061 0.687 0.255 0.900 0.400 CA 1.352 11 residues pruned to eliminate duplicates Z: 9 6.673 1.619 0.901 0.521 0.750 0.750 CB 1.000 11 residues pruned to eliminate duplicates Z: 9 4.204 1.835 0.488 0.235 0.625 0.250 CA 1.186 9 residues pruned to eliminate duplicates Z: 38 28.197 2.035 0.856 0.470 0.892 0.595 CB 1.418 38 residues pruned to eliminate duplicates 6 1.165 1.163 0.702 0.452 0.800 0.600 CB 0.346 ? Z: 7 4.067 1.417 0.214 0.544 1.000 0.667 CB 0.925 8 residues pruned to eliminate duplicates Z: 9 2.622 1.514 0.364 0.383 0.500 0.375 CB 1.017 9 residues pruned to eliminate duplicates Z: 7 4.343 1.525 0.670 0.539 0.667 0.500 CB 1.005 Z: 9 7.626 1.544 0.493 0.496 0.875 0.625 CB 1.342 9 residues pruned to eliminate duplicates Z: 7 8.251 1.856 0.636 0.544 0.833 0.500 CB 1.276 7 residues pruned to eliminate duplicates Z: 23 17.764 1.841 0.696 0.575 0.955 0.727 CA 1.182 35 residues pruned to eliminate duplicates Z: 6 2.127 1.344 0.210 0.282 0.800 0.200 CA 0.934 Z: 64 34.587 1.956 0.921 0.522 0.873 0.619 CB 1.300 64 residues pruned to eliminate duplicates Z: 10 4.158 1.468 0.339 0.294 0.889 0.444 CB 0.999 Z: 6 4.429 1.505 0.245 0.708 0.800 0.800 CB 1.094 6 1.801 1.409 -0.120 0.320 0.800 0.600 CA 0.990 ? Z: 7 2.875 1.401 0.536 0.444 0.667 0.333 O 0.867 Z: 6 3.626 1.615 -0.215 0.766 1.000 0.800 N 1.010 6 residues pruned to eliminate duplicates Z: 10 6.256 1.511 0.323 0.742 1.000 0.778 CB 0.840 18 residues pruned to eliminate duplicates Z: 26 19.291 1.973 0.922 0.438 0.880 0.600 CA 1.232 26 residues pruned to eliminate duplicates Z: 8 5.877 1.595 0.855 0.451 0.714 0.571 CB 1.106 8 residues pruned to eliminate duplicates 7 1.536 1.113 0.437 0.348 1.000 0.667 C 0.463 ? 6 1.127 1.285 -0.108 0.661 0.800 0.800 N 0.474 ? Z: 10 2.844 1.541 -0.148 0.449 0.778 0.444 O 0.979 Z: 6 2.988 1.613 -0.127 0.665 1.000 0.600 CB 0.815 7 residues pruned to eliminate duplicates Z: 6 3.886 1.686 0.474 0.344 1.000 0.600 CB 0.829 Z: 24 23.634 1.973 0.807 0.534 0.913 0.696 CA 1.464 24 residues pruned to eliminate duplicates Z: 16 17.594 1.917 0.529 0.611 0.933 0.667 CB 1.495 16 residues pruned to eliminate duplicates Z: 7 4.472 1.432 0.330 0.529 1.000 0.667 CB 0.931 6 residues pruned to eliminate duplicates Z: 10 6.410 1.601 0.633 0.294 0.778 0.556 CB 1.323 8 residues pruned to eliminate duplicates Z: 25 16.163 1.778 0.567 0.535 0.917 0.583 CB 1.248 29 residues pruned to eliminate duplicates Z: 28 13.572 1.829 0.663 0.350 0.778 0.519 CB 1.300 28 residues pruned to eliminate duplicates Z: 59 33.924 1.974 0.807 0.509 0.931 0.638 CA 1.329 59 residues pruned to eliminate duplicates Z: 6 5.076 1.568 0.491 0.506 0.800 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 9 6.443 1.605 0.336 0.469 0.875 0.625 CB 1.253 9 residues pruned to eliminate duplicates Z: 8 12.513 1.911 0.620 0.632 1.000 0.857 CA 1.349 8 residues pruned to eliminate duplicates Z: 11 5.625 1.582 -0.114 0.667 0.900 0.500 C 1.209 Z: 9 11.417 1.765 1.112 0.658 0.875 0.500 N 1.069 Z: 7 3.849 1.520 0.547 0.337 1.000 0.667 CB 0.798 Z: 6 2.031 1.611 0.078 0.250 0.600 0.200 CB 1.163 Z: 17 6.127 1.624 0.362 0.245 0.812 0.375 CB 1.143 17 residues pruned to eliminate duplicates Z: 10 6.511 1.640 0.659 0.401 0.889 0.444 CA 0.995 10 residues pruned to eliminate duplicates Z: 11 8.132 1.786 0.510 0.284 0.900 0.400 CB 1.351 11 residues pruned to eliminate duplicates Z: 15 8.137 1.895 0.322 0.454 0.714 0.429 CB 1.273 15 residues pruned to eliminate duplicates Z: 7 5.841 1.774 0.335 0.728 0.833 0.667 CB 0.984 Z: 11 6.893 1.637 0.794 0.350 0.800 0.600 CA 1.091 11 residues pruned to eliminate duplicates Z: 16 8.088 1.878 0.367 0.364 0.867 0.533 CB 1.086 16 residues pruned to eliminate duplicates Z: 8 3.625 1.484 0.380 0.324 0.714 0.429 CB 1.137 Z: 11 11.871 1.761 0.896 0.585 0.800 0.700 CA 1.295 11 residues pruned to eliminate duplicates Z: 28 22.028 1.954 0.667 0.470 0.963 0.630 CA 1.394 28 residues pruned to eliminate duplicates Z: 28 17.375 1.874 0.712 0.454 0.852 0.741 CB 1.282 28 residues pruned to eliminate duplicates Z: 6 5.044 1.461 1.317 0.431 0.800 0.400 N 0.894 Z: 7 4.707 1.658 -0.177 0.598 1.000 0.667 O 1.282 6 residues pruned to eliminate duplicates Z: 6 6.163 1.542 0.703 0.567 1.000 0.800 N 0.983 Z: 13 10.877 1.771 0.536 0.473 0.833 0.667 CB 1.424 13 residues pruned to eliminate duplicates Z: 6 6.455 1.715 0.925 0.639 0.800 0.600 CB 0.959 6 residues pruned to eliminate duplicates Z: 28 23.985 1.947 0.620 0.605 0.963 0.704 CB 1.375 13 residues pruned to eliminate duplicates Z: 16 16.670 2.036 0.644 0.492 0.867 0.667 CA 1.495 16 residues pruned to eliminate duplicates Z: 13 4.209 1.482 0.180 0.265 0.750 0.333 CB 1.210 Z: 15 18.732 1.991 0.802 0.492 0.929 0.714 CB 1.515 15 residues pruned to eliminate duplicates Z: 6 3.925 1.218 0.624 0.451 1.000 0.200 CA 0.932 Z: 10 4.755 1.465 0.492 0.419 0.778 0.444 N 1.015 10 residues pruned to eliminate duplicates Z: 9 8.847 1.766 0.504 0.468 1.000 0.500 CA 1.215 9 residues pruned to eliminate duplicates Z: 14 10.560 1.659 0.975 0.410 0.846 0.692 CB 1.161 14 residues pruned to eliminate duplicates Z: 9 2.163 1.360 0.467 0.318 0.875 0.500 CB 0.535 9 residues pruned to eliminate duplicates Z: 22 20.708 1.925 0.813 0.529 0.952 0.619 CA 1.321 22 residues pruned to eliminate duplicates Z: 22 13.235 1.823 0.509 0.491 0.810 0.381 CB 1.308 22 residues pruned to eliminate duplicates Z: 39 22.879 1.892 0.735 0.546 0.921 0.605 CB 1.174 39 residues pruned to eliminate duplicates Z: 10 4.846 1.456 0.118 0.419 0.889 0.556 CB 1.215 6 residues pruned to eliminate duplicates 575 residues left after pruning, divided into chains as follows: A: 70 B: 147 C: 6 D: 70 E: 15 F: 9 G: 137 H: 57 I: 64 CC for partial structure against native data = 38.18 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.393, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.547, Connect. = 0.764 for dens.mod. cycle 3 = 0.300, Contrast = 0.551, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.766 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.768 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.769 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.770 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.771 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.771 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4207 peaks > 0.5 sigma used to seed fragment search Space for about 810 unique residues taking solvent into account 840 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 15.017 1.928 0.684 0.407 0.842 0.632 CB 1.389 B: 63 24.609 2.020 0.463 0.379 0.855 0.516 CB 1.408 20 residues pruned to eliminate duplicates C: 20 16.254 2.097 0.643 0.446 0.842 0.474 CB 1.359 D: 22 14.455 1.770 0.674 0.537 0.857 0.476 CB 1.198 E: 52 27.019 2.030 0.534 0.425 0.922 0.549 CB 1.426 59 residues pruned to eliminate duplicates F: 23 18.173 2.071 0.595 0.441 0.818 0.455 CA 1.524 17 residues pruned to eliminate duplicates G: 15 20.976 2.022 0.675 0.679 0.929 0.643 CA 1.512 H: 8 9.649 1.890 0.911 0.521 0.857 0.571 CA 1.154 8 residues pruned to eliminate duplicates I: 18 15.168 1.993 0.901 0.436 0.824 0.588 CB 1.260 8 residues pruned to eliminate duplicates J: 47 25.733 2.023 0.484 0.407 0.935 0.630 CB 1.490 47 residues pruned to eliminate duplicates K: 20 15.912 2.173 0.607 0.419 0.789 0.474 CA 1.441 20 residues pruned to eliminate duplicates L: 39 22.707 2.040 0.483 0.452 0.868 0.474 CB 1.472 39 residues pruned to eliminate duplicates M: 16 10.416 1.869 0.371 0.410 1.000 0.400 CB 1.153 N: 40 30.344 2.015 0.784 0.534 0.897 0.641 CB 1.457 20 residues pruned to eliminate duplicates O: 48 31.713 2.068 0.687 0.462 0.915 0.681 CA 1.507 P: 33 28.397 2.001 0.640 0.531 0.906 0.750 CA 1.637 30 residues pruned to eliminate duplicates Q: 38 26.131 1.976 0.713 0.541 0.919 0.757 CA 1.327 R: 62 38.931 2.122 0.767 0.477 0.918 0.557 CA 1.483 38 residues pruned to eliminate duplicates S: 12 8.095 1.661 0.555 0.407 0.818 0.545 CA 1.272 T: 18 18.571 1.940 0.809 0.509 0.941 0.529 CB 1.351 18 residues pruned to eliminate duplicates U: 26 28.703 2.048 0.932 0.578 0.880 0.560 CB 1.529 26 residues pruned to eliminate duplicates V: 33 16.949 1.959 0.404 0.386 0.875 0.594 CB 1.405 33 residues pruned to eliminate duplicates W: 7 6.519 1.777 0.532 0.437 0.667 0.500 CB 1.565 6 residues pruned to eliminate duplicates X: 45 36.897 2.061 0.730 0.584 0.886 0.750 CA 1.623 45 residues pruned to eliminate duplicates Y: 79 37.832 2.006 0.654 0.510 0.923 0.667 CB 1.385 38 residues pruned to eliminate duplicates Z: 11 14.101 2.035 0.879 0.475 0.900 0.600 CB 1.329 Z: 58 24.688 1.969 0.665 0.380 0.842 0.474 CB 1.345 57 residues pruned to eliminate duplicates Z: 31 21.143 1.941 0.542 0.557 0.900 0.533 CA 1.356 Z: 25 15.506 1.982 0.498 0.401 0.833 0.417 CB 1.419 25 residues pruned to eliminate duplicates Z: 101 47.934 2.139 0.706 0.457 0.930 0.550 CA 1.475 72 residues pruned to eliminate duplicates Z: 46 25.557 2.033 0.660 0.442 0.889 0.511 CB 1.348 Z: 17 12.494 1.851 0.694 0.497 0.938 0.688 CB 1.066 7 residues pruned to eliminate duplicates Z: 25 13.498 1.805 0.460 0.432 0.833 0.625 CA 1.345 Z: 19 15.889 2.073 0.556 0.500 0.833 0.556 CB 1.394 19 residues pruned to eliminate duplicates Z: 42 23.617 2.088 0.569 0.452 0.878 0.585 CB 1.346 42 residues pruned to eliminate duplicates Z: 13 14.533 1.917 0.616 0.510 0.917 0.833 CA 1.464 13 residues pruned to eliminate duplicates Z: 53 28.812 2.043 0.529 0.465 0.923 0.635 CB 1.435 59 residues pruned to eliminate duplicates Z: 9 13.554 2.039 0.576 0.748 0.875 0.875 CA 1.366 Z: 34 21.708 2.037 0.594 0.433 0.909 0.455 CA 1.371 34 residues pruned to eliminate duplicates Z: 9 17.126 1.978 1.192 0.679 0.875 0.625 CB 1.353 9 residues pruned to eliminate duplicates Z: 16 19.434 2.066 0.870 0.455 0.867 0.667 CA 1.570 16 residues pruned to eliminate duplicates Z: 9 14.519 2.006 0.698 0.447 1.000 0.500 CA 1.591 5 residues pruned to eliminate duplicates Z: 6 6.635 1.883 0.592 0.492 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 39 20.823 2.083 0.442 0.457 0.868 0.579 CB 1.353 39 residues pruned to eliminate duplicates Z: 21 15.638 2.095 0.453 0.431 0.900 0.450 CB 1.371 21 residues pruned to eliminate duplicates Z: 47 29.756 1.980 0.638 0.544 0.913 0.652 CB 1.419 46 residues pruned to eliminate duplicates Z: 34 19.084 1.938 0.477 0.416 0.879 0.636 CB 1.443 34 residues pruned to eliminate duplicates Z: 21 21.024 1.934 0.704 0.578 0.950 0.750 CA 1.393 25 residues pruned to eliminate duplicates Z: 15 17.206 1.986 0.714 0.564 0.929 0.643 CA 1.367 15 residues pruned to eliminate duplicates Z: 76 40.695 2.082 0.744 0.468 0.933 0.600 CA 1.432 81 residues pruned to eliminate duplicates Z: 37 20.672 2.015 0.581 0.445 0.806 0.639 CB 1.421 37 residues pruned to eliminate duplicates Z: 47 19.782 1.939 0.470 0.485 0.870 0.478 CB 1.195 47 residues pruned to eliminate duplicates Z: 82 38.915 1.976 0.723 0.512 0.901 0.654 CA 1.392 139 residues pruned to eliminate duplicates Z: 33 16.968 1.859 0.651 0.382 0.750 0.406 CA 1.478 Z: 41 20.119 1.962 0.722 0.389 0.900 0.425 CB 1.177 41 residues pruned to eliminate duplicates Z: 8 9.723 1.907 0.724 0.550 0.857 0.714 CA 1.242 8 residues pruned to eliminate duplicates Z: 105 44.322 2.049 0.707 0.471 0.904 0.558 CB 1.416 81 residues pruned to eliminate duplicates Z: 108 41.081 2.077 0.664 0.413 0.897 0.561 CA 1.403 108 residues pruned to eliminate duplicates Z: 56 26.300 1.934 0.680 0.503 0.855 0.582 CB 1.273 29 residues pruned to eliminate duplicates Z: 25 27.786 2.013 0.922 0.559 1.000 0.750 CA 1.383 25 residues pruned to eliminate duplicates Z: 40 30.669 2.029 0.789 0.467 0.974 0.667 CA 1.436 40 residues pruned to eliminate duplicates Z: 34 20.109 2.081 0.509 0.397 0.879 0.545 CA 1.415 34 residues pruned to eliminate duplicates Z: 28 10.487 1.711 0.508 0.411 0.741 0.444 CB 1.159 28 residues pruned to eliminate duplicates Z: 83 41.159 2.021 0.691 0.511 0.939 0.573 CA 1.401 83 residues pruned to eliminate duplicates Z: 58 26.991 2.032 0.562 0.406 0.877 0.526 CB 1.416 52 residues pruned to eliminate duplicates Z: 51 36.834 2.139 0.781 0.478 0.920 0.560 CA 1.520 51 residues pruned to eliminate duplicates Z: 28 26.900 1.909 0.824 0.601 0.889 0.667 CB 1.520 28 residues pruned to eliminate duplicates Z: 20 13.973 1.865 0.563 0.458 0.789 0.632 CA 1.454 10 residues pruned to eliminate duplicates Z: 23 14.571 1.904 0.488 0.544 0.864 0.545 CB 1.217 Z: 40 25.226 2.053 0.549 0.453 0.897 0.487 CB 1.485 40 residues pruned to eliminate duplicates Z: 23 18.696 1.895 0.578 0.576 0.909 0.727 CA 1.362 22 residues pruned to eliminate duplicates Z: 19 17.998 1.895 0.697 0.596 0.889 0.500 CB 1.354 19 residues pruned to eliminate duplicates Z: 39 23.097 2.069 0.592 0.426 0.921 0.500 CB 1.333 39 residues pruned to eliminate duplicates Z: 26 15.867 1.987 0.647 0.450 0.840 0.520 CA 1.215 32 residues pruned to eliminate duplicates Z: 27 26.043 2.036 0.696 0.634 0.885 0.769 CA 1.475 30 residues pruned to eliminate duplicates Z: 51 32.822 2.091 0.711 0.433 0.940 0.520 CA 1.478 51 residues pruned to eliminate duplicates Z: 68 36.002 2.001 0.709 0.520 0.925 0.672 CA 1.362 68 residues pruned to eliminate duplicates Z: 51 35.532 1.964 0.782 0.543 0.960 0.740 CB 1.434 51 residues pruned to eliminate duplicates Z: 13 17.906 1.953 0.890 0.579 0.917 0.583 CA 1.416 13 residues pruned to eliminate duplicates Z: 8 11.700 2.055 0.784 0.647 0.714 0.714 CB 1.473 Z: 14 14.216 2.001 0.911 0.410 0.846 0.615 CA 1.340 14 residues pruned to eliminate duplicates Z: 6 5.980 1.824 0.058 0.625 1.000 0.600 CA 1.232 6 residues pruned to eliminate duplicates Z: 12 8.167 1.806 0.448 0.590 0.818 0.455 CB 1.055 12 residues pruned to eliminate duplicates Z: 16 13.456 1.905 0.790 0.508 0.800 0.733 CB 1.264 16 residues pruned to eliminate duplicates Z: 50 31.524 2.139 0.666 0.451 0.918 0.571 CA 1.447 50 residues pruned to eliminate duplicates Z: 26 29.434 2.074 0.901 0.649 0.960 0.720 CA 1.354 26 residues pruned to eliminate duplicates Z: 15 15.849 1.948 0.694 0.628 0.929 0.571 CB 1.226 15 residues pruned to eliminate duplicates Z: 79 39.662 2.084 0.714 0.465 0.885 0.590 CA 1.472 79 residues pruned to eliminate duplicates Z: 12 5.518 1.615 0.943 0.455 0.818 0.545 CB 0.678 Z: 24 16.845 2.105 0.488 0.509 0.913 0.478 CB 1.218 24 residues pruned to eliminate duplicates Z: 12 10.150 1.940 0.449 0.366 0.909 0.273 CA 1.382 12 residues pruned to eliminate duplicates Z: 12 6.466 1.761 0.422 0.538 0.727 0.364 CB 1.032 16 residues pruned to eliminate duplicates Z: 21 18.962 2.061 0.659 0.572 0.850 0.550 CA 1.361 21 residues pruned to eliminate duplicates Z: 27 28.277 2.074 0.852 0.573 1.000 0.692 CB 1.345 39 residues pruned to eliminate duplicates Z: 46 32.119 2.036 0.737 0.537 0.867 0.689 CA 1.507 45 residues pruned to eliminate duplicates Z: 36 26.376 2.126 0.738 0.451 0.886 0.514 CA 1.433 36 residues pruned to eliminate duplicates Z: 16 15.452 2.026 0.772 0.526 0.800 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 7 8.832 1.759 0.257 0.832 1.000 0.833 CA 1.224 7 residues pruned to eliminate duplicates Z: 53 28.038 2.055 0.572 0.426 0.904 0.519 CA 1.438 53 residues pruned to eliminate duplicates Z: 65 37.355 2.034 0.731 0.483 0.922 0.641 CA 1.464 65 residues pruned to eliminate duplicates Z: 22 14.587 1.971 0.330 0.481 1.000 0.476 CB 1.238 22 residues pruned to eliminate duplicates Z: 8 5.653 1.770 0.284 0.462 0.857 0.571 CB 1.141 8 residues pruned to eliminate duplicates Z: 10 14.987 1.995 0.799 0.667 0.778 0.556 CB 1.534 10 residues pruned to eliminate duplicates Z: 65 34.752 1.978 0.665 0.507 0.906 0.703 CA 1.446 65 residues pruned to eliminate duplicates Z: 13 10.256 1.820 0.572 0.458 0.917 0.583 CB 1.178 14 residues pruned to eliminate duplicates Z: 14 14.163 1.949 0.675 0.487 0.923 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 9 7.460 1.695 0.453 0.641 0.875 0.500 CB 1.072 Z: 14 17.883 1.885 0.874 0.611 0.923 0.692 CB 1.369 14 residues pruned to eliminate duplicates Z: 71 34.846 1.987 0.700 0.448 0.929 0.600 CB 1.400 71 residues pruned to eliminate duplicates Z: 25 15.191 1.902 0.855 0.381 0.833 0.542 CA 1.197 22 residues pruned to eliminate duplicates Z: 50 32.614 2.013 0.737 0.538 0.939 0.653 CB 1.368 50 residues pruned to eliminate duplicates Z: 6 8.108 1.841 0.423 0.817 1.000 0.600 CA 1.051 6 residues pruned to eliminate duplicates Z: 20 13.140 1.916 0.663 0.497 0.842 0.474 CB 1.127 20 residues pruned to eliminate duplicates Z: 19 16.890 1.970 0.589 0.506 0.944 0.556 CA 1.339 19 residues pruned to eliminate duplicates Z: 9 7.116 1.825 -0.235 0.747 1.000 0.875 C 1.445 Z: 9 3.292 1.697 -0.130 0.422 0.625 0.500 O 1.368 Z: 11 13.452 1.978 0.615 0.556 1.000 0.800 CB 1.262 11 residues pruned to eliminate duplicates Z: 6 7.933 1.353 1.023 0.783 1.000 0.800 CA 1.010 Z: 42 26.053 1.989 0.614 0.559 0.878 0.732 CA 1.363 42 residues pruned to eliminate duplicates Z: 31 25.341 2.071 0.835 0.480 0.900 0.500 CA 1.381 31 residues pruned to eliminate duplicates Z: 13 9.357 1.863 0.724 0.500 0.833 0.583 CB 1.009 13 residues pruned to eliminate duplicates Z: 16 24.987 2.151 0.771 0.640 1.000 0.733 CA 1.485 16 residues pruned to eliminate duplicates Z: 10 9.952 1.997 0.701 0.634 0.667 0.667 CB 1.291 10 residues pruned to eliminate duplicates Z: 65 39.959 2.079 0.892 0.493 0.906 0.578 CA 1.410 65 residues pruned to eliminate duplicates Z: 19 22.282 2.099 0.920 0.589 0.833 0.667 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 3.066 1.877 -0.214 0.369 0.667 0.333 CB 1.464 7 residues pruned to eliminate duplicates Z: 32 16.484 1.930 0.457 0.370 0.871 0.516 CB 1.389 32 residues pruned to eliminate duplicates Z: 22 19.039 2.015 0.726 0.538 0.857 0.476 CA 1.343 22 residues pruned to eliminate duplicates Z: 13 11.602 2.007 0.521 0.448 0.833 0.500 CA 1.389 13 residues pruned to eliminate duplicates Z: 7 5.541 1.649 0.134 0.725 0.833 0.833 N 1.186 Z: 11 9.992 1.897 0.967 0.459 0.800 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 70 35.260 2.070 0.711 0.406 0.928 0.435 CA 1.426 70 residues pruned to eliminate duplicates Z: 49 26.688 1.958 0.668 0.421 0.917 0.500 CB 1.397 49 residues pruned to eliminate duplicates Z: 19 19.305 1.943 0.623 0.559 0.944 0.833 CA 1.442 22 residues pruned to eliminate duplicates Z: 28 24.273 2.053 0.710 0.572 0.815 0.630 CB 1.523 28 residues pruned to eliminate duplicates Z: 50 30.220 2.020 0.819 0.446 0.898 0.531 CA 1.383 50 residues pruned to eliminate duplicates Z: 45 32.139 2.088 0.737 0.473 0.932 0.614 CA 1.475 45 residues pruned to eliminate duplicates Z: 90 43.909 2.065 0.779 0.476 0.921 0.596 CA 1.409 97 residues pruned to eliminate duplicates Z: 46 25.822 1.923 0.700 0.522 0.844 0.578 CB 1.364 46 residues pruned to eliminate duplicates Z: 17 10.417 1.811 0.483 0.375 1.000 0.438 CB 1.109 8 residues pruned to eliminate duplicates Z: 29 20.044 1.943 0.633 0.513 0.893 0.536 CB 1.320 29 residues pruned to eliminate duplicates Z: 8 3.993 1.621 0.205 0.481 0.714 0.571 C 1.102 Z: 101 41.359 2.123 0.635 0.427 0.890 0.540 CA 1.444 101 residues pruned to eliminate duplicates Z: 13 14.368 1.940 0.449 0.582 0.917 0.750 CA 1.488 13 residues pruned to eliminate duplicates Z: 39 18.548 2.012 0.560 0.372 0.868 0.421 CB 1.265 39 residues pruned to eliminate duplicates Z: 11 15.156 2.009 0.714 0.556 0.900 0.500 CB 1.465 11 residues pruned to eliminate duplicates Z: 31 27.620 2.130 0.988 0.455 0.900 0.533 CA 1.385 32 residues pruned to eliminate duplicates Z: 74 37.748 2.038 0.775 0.456 0.904 0.534 CA 1.413 74 residues pruned to eliminate duplicates Z: 13 7.066 1.687 0.240 0.651 0.917 0.667 CB 0.924 13 residues pruned to eliminate duplicates Z: 6 4.473 1.842 -0.122 0.523 0.800 0.600 CA 1.511 6 residues pruned to eliminate duplicates Z: 26 20.047 2.076 0.785 0.410 0.880 0.400 CA 1.351 26 residues pruned to eliminate duplicates Z: 9 10.034 1.728 0.702 0.520 0.875 0.750 CB 1.351 Z: 32 20.401 2.013 0.778 0.438 0.871 0.452 CB 1.253 32 residues pruned to eliminate duplicates Z: 25 23.556 2.001 0.770 0.544 1.000 0.833 CA 1.300 25 residues pruned to eliminate duplicates Z: 66 36.841 2.033 0.786 0.504 0.908 0.646 CB 1.380 66 residues pruned to eliminate duplicates Z: 21 16.266 1.911 0.374 0.521 0.950 0.750 CA 1.428 21 residues pruned to eliminate duplicates Z: 9 3.908 1.735 0.258 0.342 0.625 0.625 O 1.204 7 residues pruned to eliminate duplicates Z: 32 21.963 2.039 0.608 0.475 0.903 0.581 CB 1.366 32 residues pruned to eliminate duplicates Z: 75 39.708 1.985 0.810 0.528 0.919 0.649 CB 1.359 75 residues pruned to eliminate duplicates Z: 67 36.212 2.010 0.736 0.494 0.909 0.667 CA 1.414 67 residues pruned to eliminate duplicates Z: 15 9.578 1.948 0.218 0.506 0.929 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 12 13.283 1.874 0.679 0.516 0.818 0.636 CA 1.531 12 residues pruned to eliminate duplicates Z: 63 36.698 2.051 0.757 0.519 0.919 0.661 CA 1.380 63 residues pruned to eliminate duplicates Z: 88 45.516 2.120 0.713 0.479 0.908 0.632 CA 1.512 88 residues pruned to eliminate duplicates Z: 6 2.552 1.660 -0.454 0.462 1.000 0.400 CB 1.309 Z: 13 5.742 1.501 0.272 0.365 0.917 0.500 CA 1.096 Z: 25 22.304 1.925 0.878 0.613 0.917 0.792 CA 1.234 25 residues pruned to eliminate duplicates Z: 28 29.295 2.025 0.849 0.588 0.926 0.852 CA 1.495 28 residues pruned to eliminate duplicates Z: 12 10.213 2.075 0.800 0.522 0.727 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 58 34.485 1.973 0.686 0.551 0.947 0.649 CA 1.379 58 residues pruned to eliminate duplicates Z: 6 5.508 1.780 0.333 0.787 0.800 0.600 CA 1.008 6 residues pruned to eliminate duplicates Z: 57 37.220 2.032 0.743 0.509 0.946 0.661 CA 1.470 57 residues pruned to eliminate duplicates Z: 55 26.619 1.939 0.767 0.389 0.889 0.556 CB 1.338 55 residues pruned to eliminate duplicates Z: 21 16.855 1.939 0.756 0.537 0.850 0.600 CB 1.255 23 residues pruned to eliminate duplicates 6 1.151 1.671 0.583 0.331 0.600 0.600 CB 0.390 ? Z: 7 3.384 1.392 0.747 0.563 1.000 0.333 CA 0.534 Z: 11 3.872 1.491 0.419 0.411 0.900 0.600 CB 0.706 Z: 27 16.547 2.070 0.621 0.429 0.731 0.423 CA 1.424 27 residues pruned to eliminate duplicates Z: 61 32.906 2.020 0.772 0.489 0.883 0.617 CB 1.358 61 residues pruned to eliminate duplicates Z: 26 14.350 1.960 0.491 0.446 0.920 0.680 CB 1.128 26 residues pruned to eliminate duplicates Z: 6 3.904 1.645 0.221 0.687 0.800 0.800 CA 0.915 6 residues pruned to eliminate duplicates Z: 7 3.432 1.430 0.625 0.426 0.833 0.667 CB 0.781 7 residues pruned to eliminate duplicates Z: 12 13.520 1.943 0.863 0.668 0.818 0.636 CB 1.178 12 residues pruned to eliminate duplicates Z: 59 34.522 2.016 0.705 0.535 0.931 0.759 CB 1.369 59 residues pruned to eliminate duplicates Z: 26 12.960 1.870 0.595 0.346 0.800 0.480 CB 1.285 26 residues pruned to eliminate duplicates Z: 16 6.786 1.656 0.398 0.417 0.733 0.333 N 1.126 16 residues pruned to eliminate duplicates Z: 53 38.011 2.078 0.736 0.520 0.962 0.654 CA 1.491 53 residues pruned to eliminate duplicates Z: 40 22.214 2.097 0.517 0.464 0.872 0.615 CB 1.330 40 residues pruned to eliminate duplicates Z: 8 8.876 1.981 -0.070 0.810 1.000 0.857 CB 1.391 Z: 6 3.075 1.703 0.558 0.451 0.600 0.400 CB 0.908 Z: 14 6.209 1.668 0.412 0.305 0.692 0.462 N 1.312 9 residues pruned to eliminate duplicates Z: 80 37.681 2.029 0.695 0.505 0.873 0.671 CA 1.405 80 residues pruned to eliminate duplicates Z: 6 7.096 1.767 0.102 0.624 1.000 0.600 C 1.450 Z: 52 33.740 2.027 0.777 0.474 0.922 0.627 CA 1.462 52 residues pruned to eliminate duplicates Z: 40 29.999 2.118 0.689 0.509 0.897 0.641 CA 1.483 40 residues pruned to eliminate duplicates Z: 24 23.986 1.886 1.137 0.638 0.870 0.609 CB 1.254 24 residues pruned to eliminate duplicates Z: 48 30.804 2.024 0.626 0.562 0.915 0.681 CA 1.405 48 residues pruned to eliminate duplicates Z: 8 6.599 1.556 0.704 0.557 0.857 0.571 CB 1.038 Z: 37 16.938 1.938 0.488 0.401 0.861 0.389 CB 1.262 37 residues pruned to eliminate duplicates Z: 7 2.475 1.635 -0.365 0.411 1.000 0.500 CB 1.068 Z: 6 8.214 1.820 0.471 0.860 0.800 0.600 CB 1.261 6 residues pruned to eliminate duplicates Z: 16 9.271 1.799 0.536 0.471 0.867 0.533 CB 1.030 16 residues pruned to eliminate duplicates Z: 10 10.696 1.861 0.682 0.480 1.000 0.667 CB 1.161 10 residues pruned to eliminate duplicates Z: 8 3.760 1.728 -0.242 0.449 0.857 0.429 N 1.333 Z: 10 7.502 1.593 0.691 0.553 0.778 0.556 CB 1.133 10 residues pruned to eliminate duplicates Z: 41 24.182 1.926 0.658 0.512 0.925 0.600 CB 1.279 41 residues pruned to eliminate duplicates Z: 11 12.540 1.891 0.736 0.593 0.800 0.600 CB 1.382 11 residues pruned to eliminate duplicates Z: 40 29.228 2.106 0.884 0.516 0.897 0.667 CA 1.293 40 residues pruned to eliminate duplicates Z: 19 6.924 1.623 0.368 0.328 0.722 0.333 CA 1.228 Z: 64 40.324 2.115 0.829 0.496 0.921 0.556 CA 1.432 64 residues pruned to eliminate duplicates Z: 9 4.850 1.482 -0.065 0.519 1.000 0.500 N 1.215 Z: 6 4.910 1.915 0.218 0.345 0.800 0.400 CB 1.393 6 residues pruned to eliminate duplicates Z: 17 9.533 2.028 0.683 0.226 0.750 0.250 CB 1.282 17 residues pruned to eliminate duplicates Z: 25 14.119 1.959 0.406 0.410 0.833 0.292 CB 1.379 25 residues pruned to eliminate duplicates Z: 34 16.977 1.856 0.702 0.401 0.879 0.515 CB 1.181 34 residues pruned to eliminate duplicates Z: 8 5.667 1.699 0.248 0.471 0.857 0.714 CB 1.214 Z: 14 8.836 1.693 0.227 0.604 0.923 0.692 CB 1.158 Z: 14 10.791 1.884 0.766 0.448 0.923 0.692 CB 1.027 14 residues pruned to eliminate duplicates Z: 18 18.385 1.936 0.648 0.530 0.941 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 6 7.352 1.774 0.958 0.497 0.800 0.800 N 1.187 Z: 48 19.603 1.956 0.546 0.459 0.872 0.532 CB 1.130 48 residues pruned to eliminate duplicates Z: 11 11.594 1.853 0.536 0.565 0.900 0.700 CB 1.345 14 residues pruned to eliminate duplicates Z: 14 25.017 2.158 0.716 0.808 1.000 0.846 CB 1.432 14 residues pruned to eliminate duplicates Z: 20 16.875 1.984 0.712 0.483 0.895 0.684 CA 1.295 20 residues pruned to eliminate duplicates Z: 25 26.313 2.022 0.859 0.593 1.000 0.708 CA 1.308 25 residues pruned to eliminate duplicates Z: 71 39.554 2.107 0.748 0.483 0.943 0.571 CA 1.386 71 residues pruned to eliminate duplicates Z: 10 4.412 1.563 0.222 0.431 0.889 0.444 CB 0.930 8 residues pruned to eliminate duplicates Z: 13 8.123 1.877 0.325 0.434 0.750 0.417 CA 1.346 13 residues pruned to eliminate duplicates Z: 52 35.200 2.008 0.839 0.530 0.941 0.647 CA 1.378 52 residues pruned to eliminate duplicates Z: 6 2.309 1.415 0.829 0.463 0.800 0.400 CB 0.518 Z: 38 28.530 1.993 0.766 0.485 0.973 0.486 CA 1.391 38 residues pruned to eliminate duplicates Z: 6 4.263 1.666 0.281 0.341 1.000 0.800 CA 1.063 6 residues pruned to eliminate duplicates Z: 11 11.689 1.943 0.589 0.507 0.900 0.400 CA 1.321 11 residues pruned to eliminate duplicates Z: 9 4.829 1.532 0.904 0.434 0.750 0.500 CB 0.835 Z: 20 11.224 1.989 0.570 0.388 0.842 0.579 CB 1.103 20 residues pruned to eliminate duplicates Z: 7 4.786 1.715 0.291 0.489 0.667 0.667 O 1.338 Z: 10 7.626 1.839 -0.081 0.600 0.889 0.556 C 1.537 11 residues pruned to eliminate duplicates Z: 9 8.215 1.581 0.910 0.453 0.875 0.500 CB 1.154 Z: 18 17.715 2.033 0.540 0.552 0.941 0.471 CB 1.385 18 residues pruned to eliminate duplicates Z: 13 12.737 1.871 0.975 0.437 0.917 0.500 CA 1.159 13 residues pruned to eliminate duplicates Z: 6 4.998 1.750 0.164 0.647 0.800 0.800 CB 1.196 Z: 6 4.605 1.427 0.422 0.680 1.000 0.800 CB 0.860 Z: 14 18.251 1.972 0.737 0.555 1.000 0.692 CB 1.400 14 residues pruned to eliminate duplicates Z: 21 11.652 1.818 0.812 0.340 0.800 0.400 CB 1.178 10 residues pruned to eliminate duplicates Z: 11 5.257 1.724 0.052 0.418 0.900 0.400 CB 1.109 15 residues pruned to eliminate duplicates Z: 15 11.299 1.742 0.559 0.502 0.857 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 63 33.365 2.004 0.693 0.468 0.903 0.645 CA 1.429 63 residues pruned to eliminate duplicates Z: 8 5.681 1.622 0.174 0.634 0.857 0.429 CB 1.160 Z: 10 9.870 1.985 0.694 0.569 0.889 0.778 CB 1.029 7 residues pruned to eliminate duplicates Z: 32 15.498 1.844 0.442 0.378 0.935 0.548 CB 1.275 32 residues pruned to eliminate duplicates Z: 11 18.955 2.127 1.079 0.629 0.900 0.800 CA 1.334 11 residues pruned to eliminate duplicates Z: 8 6.363 1.869 -0.209 0.580 1.000 0.286 O 1.507 Z: 14 8.286 1.729 0.329 0.465 0.769 0.462 CB 1.348 11 residues pruned to eliminate duplicates Z: 9 6.272 1.810 -0.251 0.676 1.000 0.625 CB 1.390 Z: 12 15.460 1.911 0.672 0.518 1.000 0.636 CA 1.433 12 residues pruned to eliminate duplicates Z: 26 21.193 1.965 0.846 0.566 0.920 0.720 CA 1.192 26 residues pruned to eliminate duplicates Z: 25 15.030 1.892 0.528 0.550 0.875 0.583 CB 1.155 25 residues pruned to eliminate duplicates Z: 7 9.040 1.561 0.940 0.705 0.833 0.833 C 1.214 7 residues pruned to eliminate duplicates Z: 7 8.085 1.981 -0.153 0.865 1.000 1.000 C 1.441 7 residues pruned to eliminate duplicates Z: 58 35.883 2.017 0.706 0.435 0.982 0.614 CA 1.504 58 residues pruned to eliminate duplicates Z: 40 25.622 1.969 0.659 0.475 0.974 0.667 CA 1.323 40 residues pruned to eliminate duplicates Z: 10 6.955 1.840 -0.210 0.800 1.000 0.778 CB 1.227 4 residues pruned to eliminate duplicates Z: 6 3.183 1.674 0.229 0.290 0.800 0.600 C 1.096 Z: 10 6.308 1.715 0.521 0.334 0.889 0.667 CB 1.087 10 residues pruned to eliminate duplicates Z: 35 18.733 1.825 0.535 0.456 0.941 0.618 CA 1.275 35 residues pruned to eliminate duplicates 7 1.847 1.399 0.036 0.243 0.833 0.500 CA 0.840 ? Z: 7 2.219 1.466 0.287 0.249 0.667 0.500 CB 0.962 Z: 7 6.341 1.940 -0.091 0.561 0.833 0.333 C 1.660 8 residues pruned to eliminate duplicates Z: 26 24.402 2.047 0.663 0.512 0.960 0.720 CA 1.476 26 residues pruned to eliminate duplicates Z: 25 19.599 1.995 0.748 0.475 0.875 0.500 CA 1.345 25 residues pruned to eliminate duplicates Z: 7 3.878 1.435 -0.045 0.647 0.833 0.333 N 1.208 10 residues pruned to eliminate duplicates Z: 48 32.902 1.973 0.763 0.542 0.957 0.681 CA 1.383 48 residues pruned to eliminate duplicates Z: 13 13.378 1.956 0.526 0.445 0.917 0.417 CA 1.493 13 residues pruned to eliminate duplicates Z: 39 24.261 2.096 0.612 0.397 0.895 0.526 CA 1.452 39 residues pruned to eliminate duplicates Z: 10 4.740 1.665 0.307 0.385 0.778 0.333 CB 1.055 Z: 7 7.147 1.753 0.096 0.801 1.000 1.000 CB 1.166 7 residues pruned to eliminate duplicates Z: 51 27.002 1.879 0.671 0.493 0.880 0.660 CB 1.391 51 residues pruned to eliminate duplicates Z: 9 6.160 1.577 0.954 0.615 0.750 0.750 N 0.845 Z: 13 5.675 1.757 -0.129 0.609 0.833 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 6 4.321 1.371 0.158 0.686 1.000 1.000 C 1.026 6 residues pruned to eliminate duplicates Z: 15 4.087 1.530 0.170 0.390 0.786 0.286 CB 0.873 15 residues pruned to eliminate duplicates Z: 20 19.418 2.051 0.603 0.497 0.895 0.684 CB 1.518 20 residues pruned to eliminate duplicates Z: 6 4.269 1.521 0.778 0.575 0.800 0.600 CA 0.821 6 residues pruned to eliminate duplicates Z: 28 22.378 2.036 0.826 0.481 0.926 0.593 CA 1.275 28 residues pruned to eliminate duplicates Z: 7 2.952 1.473 0.098 0.485 0.833 0.667 CB 0.908 Z: 14 10.073 1.619 0.516 0.520 0.923 0.538 CB 1.209 Z: 33 20.104 1.939 0.617 0.552 0.875 0.625 CB 1.232 33 residues pruned to eliminate duplicates Z: 36 23.108 2.037 0.873 0.463 0.829 0.514 CA 1.283 36 residues pruned to eliminate duplicates Z: 8 9.795 1.880 0.972 0.617 0.857 0.571 CA 1.043 8 residues pruned to eliminate duplicates Z: 46 20.009 1.943 0.663 0.399 0.800 0.556 CB 1.284 46 residues pruned to eliminate duplicates Z: 50 32.506 2.011 0.712 0.527 0.959 0.612 CB 1.370 50 residues pruned to eliminate duplicates Z: 10 5.932 1.781 0.075 0.638 0.667 0.222 CB 1.361 10 residues pruned to eliminate duplicates Z: 11 8.576 1.830 0.398 0.528 0.800 0.500 CB 1.288 11 residues pruned to eliminate duplicates Z: 71 37.953 2.092 0.729 0.467 0.929 0.529 CA 1.396 71 residues pruned to eliminate duplicates Z: 9 7.455 1.849 0.591 0.379 0.750 0.500 CA 1.359 9 residues pruned to eliminate duplicates Z: 53 21.631 1.940 0.466 0.395 0.865 0.500 CB 1.361 53 residues pruned to eliminate duplicates Z: 59 34.580 2.034 0.706 0.513 0.914 0.690 CB 1.415 59 residues pruned to eliminate duplicates Z: 41 24.078 1.976 0.601 0.543 0.825 0.600 CB 1.399 41 residues pruned to eliminate duplicates Z: 28 23.089 1.909 0.758 0.556 0.963 0.815 CA 1.303 28 residues pruned to eliminate duplicates Z: 29 24.421 2.088 0.621 0.460 0.929 0.357 CA 1.531 43 residues pruned to eliminate duplicates Z: 13 5.905 1.617 0.375 0.383 0.750 0.583 C 1.158 13 residues pruned to eliminate duplicates Z: 9 4.895 1.633 0.430 0.241 0.750 0.500 N 1.333 9 residues pruned to eliminate duplicates Z: 86 36.482 1.979 0.694 0.436 0.906 0.588 CA 1.391 134 residues pruned to eliminate duplicates Z: 8 6.958 1.684 0.160 0.488 1.000 0.429 N 1.363 Z: 27 24.764 2.029 0.828 0.546 0.962 0.577 CA 1.302 27 residues pruned to eliminate duplicates Z: 23 18.224 1.949 0.758 0.585 0.864 0.636 CB 1.210 23 residues pruned to eliminate duplicates Z: 6 3.156 1.610 0.417 0.514 0.800 0.600 CB 0.762 Z: 23 19.684 1.915 0.651 0.606 0.909 0.682 CA 1.321 23 residues pruned to eliminate duplicates Z: 9 3.378 1.509 0.101 0.367 0.875 0.500 CB 0.947 Z: 13 8.638 1.771 0.721 0.490 0.750 0.500 CA 1.101 11 residues pruned to eliminate duplicates Z: 6 3.667 1.641 0.368 0.508 0.600 0.400 O 1.209 Z: 31 15.316 1.851 0.746 0.389 0.833 0.533 CB 1.168 31 residues pruned to eliminate duplicates Z: 16 18.351 1.955 0.656 0.582 0.867 0.600 N 1.559 16 residues pruned to eliminate duplicates Z: 8 3.689 1.864 0.119 0.229 0.857 0.429 CA 1.069 Z: 69 39.607 2.111 0.742 0.496 0.926 0.588 CA 1.415 69 residues pruned to eliminate duplicates Z: 7 2.108 1.412 -0.193 0.607 0.833 0.833 CB 0.819 Z: 70 42.642 2.094 0.806 0.492 0.957 0.638 CA 1.430 70 residues pruned to eliminate duplicates Z: 20 13.985 1.739 0.686 0.481 0.895 0.368 CB 1.247 Z: 6 5.956 1.793 -0.019 0.665 1.000 0.800 CB 1.300 6 residues pruned to eliminate duplicates Z: 11 7.689 1.891 0.663 0.367 0.800 0.500 CA 1.115 Z: 6 2.035 1.618 -0.209 0.586 0.800 0.600 CB 0.818 Z: 35 15.390 1.857 0.372 0.377 0.882 0.588 CB 1.339 35 residues pruned to eliminate duplicates Z: 6 4.489 1.460 0.479 0.488 0.800 0.400 CA 1.176 Z: 11 8.544 1.623 0.743 0.609 0.800 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 14 10.747 1.742 0.902 0.422 0.846 0.462 CB 1.153 14 residues pruned to eliminate duplicates Z: 9 8.266 1.756 0.005 0.807 1.000 0.875 CB 1.267 9 residues pruned to eliminate duplicates Z: 7 7.808 2.010 -0.185 0.869 1.000 1.000 C 1.421 7 residues pruned to eliminate duplicates Z: 7 3.152 1.468 1.097 0.397 0.833 0.667 CB 0.559 Z: 18 13.976 1.863 0.533 0.473 0.882 0.647 CB 1.382 14 residues pruned to eliminate duplicates Z: 15 13.885 1.915 0.588 0.505 0.929 0.500 CB 1.308 15 residues pruned to eliminate duplicates Z: 7 5.299 1.764 0.650 0.771 1.000 0.667 CB 0.584 Z: 6 3.814 1.485 0.326 0.633 1.000 0.600 CB 0.765 6 residues pruned to eliminate duplicates Z: 8 7.518 1.790 -0.121 0.801 1.000 0.571 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 11.844 2.035 0.377 0.516 1.000 0.636 CB 1.254 12 residues pruned to eliminate duplicates Z: 14 13.612 1.948 0.765 0.466 0.846 0.692 CA 1.343 14 residues pruned to eliminate duplicates Z: 7 10.262 1.754 0.427 0.870 1.000 0.833 CB 1.222 8 residues pruned to eliminate duplicates Z: 25 22.343 2.000 0.677 0.514 1.000 0.750 CA 1.341 25 residues pruned to eliminate duplicates Z: 11 8.277 1.712 -0.058 0.747 0.900 0.600 CB 1.446 10 residues pruned to eliminate duplicates Z: 8 4.411 1.791 -0.032 0.510 0.857 0.286 CB 1.110 Z: 19 14.811 1.924 0.652 0.514 0.833 0.444 CB 1.300 19 residues pruned to eliminate duplicates Z: 9 4.953 1.718 0.639 0.464 0.625 0.250 CA 1.032 9 residues pruned to eliminate duplicates Z: 8 3.867 1.731 -0.018 0.495 0.714 0.429 CB 1.209 8 residues pruned to eliminate duplicates Z: 26 20.279 1.898 0.821 0.445 0.920 0.680 CB 1.350 26 residues pruned to eliminate duplicates Z: 22 14.577 1.978 0.516 0.409 0.857 0.619 CB 1.362 22 residues pruned to eliminate duplicates Z: 6 2.848 1.489 -0.207 0.628 0.800 0.800 CB 1.196 6 residues pruned to eliminate duplicates Z: 81 40.944 2.012 0.659 0.527 0.925 0.625 CA 1.443 81 residues pruned to eliminate duplicates Z: 8 6.298 1.486 0.973 0.599 0.857 0.714 O 0.862 Z: 13 13.370 1.773 0.874 0.553 0.833 0.833 CA 1.324 13 residues pruned to eliminate duplicates Z: 22 22.476 2.078 0.615 0.541 0.952 0.667 CB 1.474 22 residues pruned to eliminate duplicates Z: 6 3.919 1.730 0.346 0.293 0.800 0.600 CB 1.186 Z: 6 6.946 1.878 0.299 0.514 1.000 0.600 CB 1.256 Z: 9 15.258 2.074 0.992 0.623 0.875 0.500 CA 1.329 9 residues pruned to eliminate duplicates Z: 27 16.604 1.906 0.680 0.530 0.846 0.577 CB 1.167 27 residues pruned to eliminate duplicates Z: 11 5.996 1.802 -0.057 0.572 0.900 0.800 CB 1.156 15 residues pruned to eliminate duplicates Z: 8 5.393 1.714 -0.127 0.844 1.000 0.857 CB 1.014 8 residues pruned to eliminate duplicates Z: 19 15.055 1.933 0.420 0.613 0.944 0.778 CA 1.230 19 residues pruned to eliminate duplicates Z: 27 20.482 2.017 0.730 0.521 0.885 0.538 CB 1.274 28 residues pruned to eliminate duplicates Z: 40 30.124 2.008 0.726 0.490 0.974 0.641 CA 1.443 40 residues pruned to eliminate duplicates Z: 20 15.023 1.858 0.665 0.580 0.947 0.579 CB 1.089 20 residues pruned to eliminate duplicates Z: 10 6.512 1.703 0.509 0.433 0.778 0.667 CA 1.164 10 residues pruned to eliminate duplicates Z: 59 37.647 2.007 0.740 0.546 0.948 0.672 CA 1.427 59 residues pruned to eliminate duplicates Z: 86 36.180 2.082 0.600 0.412 0.929 0.600 CA 1.391 86 residues pruned to eliminate duplicates Z: 7 13.954 1.926 1.087 0.628 0.833 0.667 CB 1.507 7 residues pruned to eliminate duplicates Z: 16 5.114 1.573 0.180 0.449 0.800 0.467 CB 0.937 10 residues pruned to eliminate duplicates Z: 6 8.235 1.762 0.902 0.792 1.000 1.000 CB 0.851 8 residues pruned to eliminate duplicates Z: 7 6.069 1.664 0.594 0.517 0.833 0.500 CB 1.103 12 residues pruned to eliminate duplicates Z: 28 17.724 1.946 0.420 0.550 0.926 0.481 CA 1.270 28 residues pruned to eliminate duplicates Z: 38 24.525 2.068 0.664 0.494 0.946 0.459 CA 1.247 38 residues pruned to eliminate duplicates Z: 15 7.759 1.909 0.702 0.303 0.643 0.357 CB 1.237 15 residues pruned to eliminate duplicates Z: 13 6.201 1.525 0.455 0.293 0.833 0.500 N 1.221 13 residues pruned to eliminate duplicates Z: 6 7.025 1.767 0.014 0.648 1.000 0.600 C 1.527 6 residues pruned to eliminate duplicates Z: 9 6.046 1.788 0.312 0.645 0.875 0.750 CB 0.909 9 residues pruned to eliminate duplicates Z: 19 18.754 2.131 0.742 0.522 0.833 0.611 CA 1.398 19 residues pruned to eliminate duplicates Z: 11 13.699 1.860 0.955 0.729 0.900 0.700 CA 1.077 11 residues pruned to eliminate duplicates Z: 33 26.619 2.051 0.657 0.535 0.938 0.625 CB 1.427 33 residues pruned to eliminate duplicates Z: 8 5.841 1.560 0.807 0.448 0.714 0.571 CB 1.156 8 residues pruned to eliminate duplicates Z: 6 4.158 1.651 0.232 0.560 0.800 0.800 CB 1.078 Z: 34 22.594 1.945 0.678 0.547 0.848 0.606 CA 1.357 34 residues pruned to eliminate duplicates Z: 10 7.237 1.516 1.239 0.590 0.889 0.778 CB 0.733 10 residues pruned to eliminate duplicates Z: 39 22.217 1.879 0.759 0.442 0.895 0.658 CA 1.294 39 residues pruned to eliminate duplicates Z: 20 8.386 1.732 0.317 0.289 0.895 0.526 CB 1.194 20 residues pruned to eliminate duplicates Z: 16 5.546 1.670 0.351 0.350 0.733 0.467 CB 1.018 16 residues pruned to eliminate duplicates Z: 8 3.269 1.614 0.341 0.302 0.714 0.571 N 0.996 8 residues pruned to eliminate duplicates Z: 63 35.684 1.956 0.753 0.517 0.952 0.661 CB 1.366 63 residues pruned to eliminate duplicates Z: 38 18.607 1.812 0.556 0.448 0.865 0.541 CA 1.324 38 residues pruned to eliminate duplicates Z: 23 19.833 1.974 0.479 0.663 0.864 0.545 CB 1.443 23 residues pruned to eliminate duplicates Z: 6 4.148 1.544 0.779 0.297 1.000 0.400 CB 0.847 Z: 7 5.202 1.384 0.483 0.599 1.000 0.667 C 0.941 8 residues pruned to eliminate duplicates Z: 23 13.501 1.641 0.753 0.306 0.864 0.455 CB 1.437 Z: 6 2.192 1.373 0.201 0.521 0.600 0.400 O 0.970 Z: 29 21.369 1.978 0.734 0.452 0.964 0.679 CA 1.282 29 residues pruned to eliminate duplicates Z: 14 6.655 1.582 0.722 0.371 0.846 0.615 CB 0.920 Z: 10 6.153 1.599 0.214 0.537 0.889 0.444 CB 1.147 9 residues pruned to eliminate duplicates Z: 19 14.463 1.920 0.576 0.399 0.889 0.500 CB 1.411 22 residues pruned to eliminate duplicates Z: 6 3.368 1.540 0.966 0.419 0.800 0.800 N 0.677 Z: 10 4.465 1.623 0.829 0.366 0.778 0.333 CB 0.744 Z: 11 16.456 2.015 1.071 0.654 0.900 0.700 CA 1.201 10 residues pruned to eliminate duplicates Z: 48 22.471 1.940 0.646 0.425 0.830 0.468 CB 1.337 48 residues pruned to eliminate duplicates Z: 25 23.184 2.007 0.862 0.574 0.958 0.667 CB 1.231 25 residues pruned to eliminate duplicates Z: 35 24.271 1.911 0.593 0.573 0.941 0.618 CA 1.355 35 residues pruned to eliminate duplicates Z: 10 4.270 1.614 0.267 0.576 0.667 0.556 CB 0.971 9 residues pruned to eliminate duplicates Z: 8 11.706 1.893 0.743 0.614 0.857 0.714 CB 1.405 8 residues pruned to eliminate duplicates Z: 49 24.024 1.984 0.636 0.381 0.875 0.500 CA 1.385 49 residues pruned to eliminate duplicates Z: 6 3.833 1.479 0.274 0.299 1.000 0.800 N 1.139 Z: 8 6.091 1.233 0.567 0.717 1.000 0.571 CB 0.979 8 residues pruned to eliminate duplicates Z: 12 12.413 1.790 0.520 0.633 0.909 0.636 CA 1.334 12 residues pruned to eliminate duplicates Z: 9 4.539 1.589 0.274 0.620 1.000 0.500 CB 0.708 Z: 13 3.177 1.514 0.190 0.372 0.750 0.500 CB 0.778 12 residues pruned to eliminate duplicates Z: 12 8.197 1.813 0.004 0.512 0.818 0.455 C 1.640 14 residues pruned to eliminate duplicates Z: 12 6.353 1.640 0.044 0.541 0.909 0.545 CB 1.182 10 residues pruned to eliminate duplicates Z: 8 3.319 1.598 0.106 0.386 0.714 0.429 C 1.122 10 residues pruned to eliminate duplicates Z: 34 23.350 1.919 0.725 0.548 0.879 0.697 CA 1.333 34 residues pruned to eliminate duplicates Z: 14 8.311 1.615 0.690 0.385 0.769 0.385 CA 1.240 12 residues pruned to eliminate duplicates Z: 6 2.598 1.559 0.356 0.463 0.600 0.400 CA 0.951 6 residues pruned to eliminate duplicates Z: 35 23.172 1.971 0.760 0.514 0.882 0.647 CA 1.280 35 residues pruned to eliminate duplicates 6 1.934 1.386 0.497 0.453 0.600 0.600 CB 0.730 ? Z: 11 7.158 1.568 0.174 0.572 1.000 0.600 CA 1.147 Z: 78 41.498 2.086 0.739 0.481 0.909 0.571 CB 1.461 78 residues pruned to eliminate duplicates Z: 18 9.054 1.617 0.600 0.344 0.824 0.353 CA 1.221 18 residues pruned to eliminate duplicates Z: 9 7.033 1.837 0.510 0.653 0.625 0.375 CB 1.244 9 residues pruned to eliminate duplicates Z: 11 17.012 2.001 0.697 0.738 1.000 0.800 CA 1.280 11 residues pruned to eliminate duplicates Z: 9 6.077 1.487 0.770 0.275 0.875 0.250 C 1.204 Z: 47 29.863 1.975 0.743 0.542 0.891 0.696 CA 1.378 47 residues pruned to eliminate duplicates Z: 12 5.286 1.522 0.135 0.575 0.818 0.636 CB 1.049 8 residues pruned to eliminate duplicates Z: 10 7.465 1.654 0.470 0.626 0.889 0.556 CA 1.023 10 residues pruned to eliminate duplicates Z: 25 11.284 1.816 0.389 0.505 0.792 0.500 CB 1.147 38 residues pruned to eliminate duplicates Z: 6 7.482 1.682 0.701 0.633 1.000 0.600 CB 1.033 6 residues pruned to eliminate duplicates Z: 9 6.664 1.606 0.104 0.689 0.875 0.625 N 1.277 Z: 10 5.609 1.615 0.734 0.368 0.778 0.333 CA 0.989 10 residues pruned to eliminate duplicates Z: 23 16.282 2.049 0.501 0.455 0.864 0.591 CA 1.368 23 residues pruned to eliminate duplicates Z: 11 6.567 1.712 0.205 0.604 0.800 0.800 C 1.139 11 residues pruned to eliminate duplicates Z: 13 3.891 1.469 0.475 0.251 0.750 0.250 N 0.920 Z: 6 4.321 1.652 0.105 0.527 1.000 0.400 CB 1.030 6 residues pruned to eliminate duplicates Z: 13 8.119 1.508 0.728 0.460 0.833 0.583 CA 1.124 6 1.614 1.311 -0.054 0.423 0.800 0.600 CB 0.788 ? Z: 6 3.988 1.719 -0.309 0.669 1.000 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 41 27.135 2.007 0.715 0.481 0.925 0.625 CA 1.373 41 residues pruned to eliminate duplicates Z: 8 4.383 1.495 0.841 0.371 0.857 0.429 CA 0.807 Z: 9 4.774 1.523 0.165 0.446 0.750 0.375 O 1.340 Z: 8 5.361 1.748 0.491 0.426 0.857 0.571 CA 0.980 8 residues pruned to eliminate duplicates Z: 7 2.503 1.337 0.093 0.250 0.833 0.500 C 1.119 Z: 13 6.176 1.435 0.301 0.479 0.917 0.500 N 1.064 Z: 76 43.883 2.115 0.804 0.513 0.920 0.627 CA 1.426 76 residues pruned to eliminate duplicates Z: 21 14.146 1.906 0.604 0.529 0.850 0.550 CB 1.184 21 residues pruned to eliminate duplicates Z: 25 21.364 1.947 0.774 0.519 0.917 0.667 CA 1.352 25 residues pruned to eliminate duplicates Z: 6 4.722 1.513 0.189 0.576 1.000 0.400 CB 1.091 Z: 6 4.352 1.472 0.271 0.379 1.000 0.600 O 1.183 Z: 59 34.898 1.997 0.690 0.505 0.948 0.707 CB 1.424 59 residues pruned to eliminate duplicates Z: 12 4.145 1.648 0.217 0.270 0.636 0.364 CB 1.271 Z: 18 13.635 1.998 0.398 0.509 0.882 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 25 32.396 2.121 1.032 0.654 0.917 0.667 CB 1.451 25 residues pruned to eliminate duplicates Z: 31 27.789 1.986 0.778 0.615 0.967 0.633 CA 1.333 31 residues pruned to eliminate duplicates Z: 6 2.360 1.568 0.602 0.365 0.600 0.400 CB 0.809 Z: 8 4.469 1.734 0.113 0.428 0.714 0.429 CB 1.320 Z: 18 8.066 1.704 0.631 0.428 0.706 0.471 CB 1.074 18 residues pruned to eliminate duplicates Z: 12 3.975 1.565 0.132 0.220 0.818 0.364 N 1.149 12 residues pruned to eliminate duplicates Z: 10 7.295 1.545 0.848 0.483 0.889 0.444 CB 0.975 Z: 8 3.438 1.524 0.014 0.507 0.857 0.571 CB 0.975 8 residues pruned to eliminate duplicates Z: 6 4.765 1.531 0.585 0.440 0.800 0.600 O 1.168 6 residues pruned to eliminate duplicates Z: 8 9.481 1.701 0.804 0.595 0.857 0.857 CA 1.244 8 residues pruned to eliminate duplicates Z: 14 8.022 1.753 0.505 0.401 0.846 0.538 CB 1.106 14 residues pruned to eliminate duplicates Z: 8 7.578 1.947 0.091 0.531 1.000 0.429 C 1.309 7 residues pruned to eliminate duplicates Z: 28 18.939 1.926 0.590 0.511 0.926 0.667 CA 1.272 28 residues pruned to eliminate duplicates Z: 23 9.807 1.776 0.441 0.379 0.864 0.364 CB 1.077 23 residues pruned to eliminate duplicates Z: 7 8.750 1.769 1.114 0.487 0.833 0.667 CB 1.162 7 residues pruned to eliminate duplicates Z: 10 4.332 1.562 0.479 0.357 0.778 0.444 CB 0.938 Z: 10 3.454 1.359 0.171 0.355 0.889 0.667 CB 0.952 Z: 12 6.559 1.565 0.003 0.581 0.909 0.364 CB 1.282 11 residues pruned to eliminate duplicates Z: 17 20.371 1.965 0.531 0.679 1.000 0.750 CA 1.436 17 residues pruned to eliminate duplicates Z: 65 38.070 2.117 0.790 0.498 0.906 0.625 CA 1.389 65 residues pruned to eliminate duplicates Z: 12 6.489 1.864 0.379 0.415 0.818 0.636 CA 1.017 12 residues pruned to eliminate duplicates Z: 76 33.488 2.054 0.665 0.435 0.907 0.547 CA 1.333 76 residues pruned to eliminate duplicates Z: 7 6.782 1.744 0.485 0.494 0.833 0.667 CB 1.291 7 residues pruned to eliminate duplicates Z: 20 16.224 1.779 0.614 0.539 1.000 0.474 CA 1.248 19 residues pruned to eliminate duplicates Z: 45 27.064 1.995 0.567 0.461 0.955 0.545 CB 1.423 45 residues pruned to eliminate duplicates Z: 18 15.854 2.056 0.469 0.492 0.882 0.529 CB 1.455 18 residues pruned to eliminate duplicates Z: 9 7.931 1.869 0.364 0.562 0.875 0.500 CA 1.184 9 residues pruned to eliminate duplicates Z: 8 7.255 1.793 0.705 0.515 0.857 0.571 CA 1.031 Z: 18 7.863 1.845 0.234 0.243 0.765 0.412 CB 1.474 18 residues pruned to eliminate duplicates Z: 7 2.634 1.927 0.266 0.203 0.667 0.167 CA 0.941 7 residues pruned to eliminate duplicates Z: 27 17.993 1.952 0.595 0.466 0.923 0.538 CA 1.271 27 residues pruned to eliminate duplicates Z: 8 6.799 1.711 0.182 0.607 1.000 0.714 CB 1.148 Z: 13 7.147 1.786 0.140 0.359 0.917 0.333 CB 1.287 13 residues pruned to eliminate duplicates Z: 49 30.032 1.954 0.706 0.511 0.938 0.771 CA 1.373 49 residues pruned to eliminate duplicates Z: 9 3.299 1.278 0.009 0.376 1.000 0.250 CB 1.032 9 residues pruned to eliminate duplicates Z: 15 4.911 1.646 0.437 0.229 0.643 0.357 O 1.184 15 residues pruned to eliminate duplicates Z: 6 3.467 1.722 0.318 0.481 0.600 0.600 CB 1.161 Z: 76 38.918 2.028 0.754 0.477 0.933 0.640 CA 1.384 76 residues pruned to eliminate duplicates Z: 23 17.070 1.901 0.820 0.511 0.864 0.636 CA 1.205 23 residues pruned to eliminate duplicates Z: 24 27.511 2.042 0.895 0.575 1.000 0.783 CA 1.379 24 residues pruned to eliminate duplicates Z: 14 13.516 1.839 0.531 0.589 0.923 0.538 CB 1.325 14 residues pruned to eliminate duplicates 9 1.630 1.331 0.110 0.213 0.875 0.625 CB 0.625 ? Z: 19 17.524 1.866 0.912 0.538 0.889 0.722 CA 1.255 19 residues pruned to eliminate duplicates Z: 24 18.912 2.029 0.549 0.478 0.913 0.522 CA 1.405 24 residues pruned to eliminate duplicates Z: 13 4.400 1.696 0.195 0.301 0.833 0.500 CA 0.939 Z: 15 14.681 1.956 0.199 0.577 1.000 0.714 CA 1.552 15 residues pruned to eliminate duplicates Z: 8 5.254 1.436 0.736 0.471 0.857 0.571 CB 0.957 8 residues pruned to eliminate duplicates Z: 16 12.876 1.837 0.527 0.497 0.933 0.533 CA 1.274 16 residues pruned to eliminate duplicates Z: 49 25.100 1.934 0.565 0.444 0.938 0.542 CB 1.353 49 residues pruned to eliminate duplicates Z: 6 3.103 1.365 0.265 0.355 1.000 0.800 CB 0.940 6 residues pruned to eliminate duplicates Z: 27 20.498 2.025 0.682 0.417 0.885 0.423 CA 1.454 27 residues pruned to eliminate duplicates Z: 28 21.401 2.073 0.671 0.483 0.815 0.556 CB 1.485 28 residues pruned to eliminate duplicates Z: 6 6.744 1.671 0.173 0.815 1.000 1.000 N 1.170 Z: 11 6.085 1.822 0.209 0.436 0.900 0.600 CB 1.037 Z: 18 21.080 1.978 0.645 0.619 0.941 0.529 CA 1.492 18 residues pruned to eliminate duplicates Z: 8 4.864 1.659 0.482 0.494 0.714 0.714 O 1.052 8 residues pruned to eliminate duplicates Z: 43 32.612 2.097 0.786 0.479 0.952 0.667 CA 1.441 43 residues pruned to eliminate duplicates Z: 11 7.411 1.910 0.350 0.411 0.900 0.600 CA 1.109 11 residues pruned to eliminate duplicates Z: 26 17.948 1.918 0.480 0.547 0.880 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 59 28.697 1.960 0.581 0.519 0.879 0.690 CB 1.357 59 residues pruned to eliminate duplicates Z: 70 37.488 2.081 0.655 0.483 0.942 0.638 CA 1.415 70 residues pruned to eliminate duplicates Z: 6 6.064 1.639 0.564 0.839 0.800 0.600 CA 0.987 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.722 1.792 0.450 0.210 1.000 0.800 CA 1.145 6 residues pruned to eliminate duplicates Z: 45 23.803 2.045 0.567 0.420 0.864 0.432 CB 1.409 45 residues pruned to eliminate duplicates Z: 49 22.854 2.066 0.535 0.378 0.833 0.521 CB 1.421 49 residues pruned to eliminate duplicates Z: 9 5.713 1.834 0.344 0.393 0.750 0.500 CB 1.224 9 residues pruned to eliminate duplicates Z: 59 26.093 2.003 0.522 0.395 0.879 0.517 CB 1.428 59 residues pruned to eliminate duplicates Z: 46 27.404 2.070 0.706 0.449 0.889 0.600 CB 1.371 46 residues pruned to eliminate duplicates Z: 21 21.876 2.109 0.706 0.493 0.950 0.550 CB 1.441 21 residues pruned to eliminate duplicates Z: 20 20.434 2.068 0.631 0.515 0.947 0.632 CB 1.445 20 residues pruned to eliminate duplicates Z: 58 27.808 2.034 0.594 0.416 0.895 0.544 CB 1.387 58 residues pruned to eliminate duplicates Z: 18 21.653 2.068 0.773 0.513 0.941 0.647 CB 1.503 18 residues pruned to eliminate duplicates Z: 57 23.545 2.021 0.516 0.394 0.821 0.500 CB 1.399 57 residues pruned to eliminate duplicates Z: 17 19.923 2.135 0.893 0.537 0.875 0.625 CB 1.359 17 residues pruned to eliminate duplicates Z: 47 23.897 2.102 0.568 0.403 0.804 0.500 CB 1.472 47 residues pruned to eliminate duplicates Z: 50 27.687 2.042 0.537 0.469 0.898 0.571 CB 1.447 50 residues pruned to eliminate duplicates Z: 18 17.691 2.132 0.874 0.498 0.765 0.588 CB 1.407 18 residues pruned to eliminate duplicates Z: 46 23.302 1.958 0.508 0.424 0.889 0.556 CB 1.432 46 residues pruned to eliminate duplicates Z: 45 21.838 1.958 0.516 0.375 0.886 0.455 CB 1.431 45 residues pruned to eliminate duplicates Z: 53 27.501 1.993 0.611 0.423 0.904 0.500 CB 1.423 53 residues pruned to eliminate duplicates Z: 38 23.370 2.012 0.688 0.420 0.919 0.486 CB 1.338 38 residues pruned to eliminate duplicates Z: 48 22.853 1.974 0.479 0.404 0.936 0.489 CB 1.349 48 residues pruned to eliminate duplicates Z: 58 26.423 2.055 0.476 0.405 0.877 0.509 CB 1.453 58 residues pruned to eliminate duplicates Z: 67 27.347 2.008 0.582 0.390 0.864 0.485 CB 1.378 67 residues pruned to eliminate duplicates Z: 49 20.454 1.924 0.459 0.397 0.875 0.500 CB 1.340 49 residues pruned to eliminate duplicates Z: 47 25.039 2.053 0.653 0.422 0.826 0.478 CB 1.429 47 residues pruned to eliminate duplicates Z: 30 18.156 1.984 0.593 0.369 0.897 0.448 CB 1.369 30 residues pruned to eliminate duplicates Z: 29 19.963 2.041 0.624 0.393 0.857 0.464 CB 1.487 29 residues pruned to eliminate duplicates Z: 31 16.324 1.920 0.549 0.359 0.867 0.600 CA 1.347 31 residues pruned to eliminate duplicates Z: 25 16.423 1.982 0.616 0.386 0.792 0.542 CB 1.493 25 residues pruned to eliminate duplicates Z: 24 17.104 2.032 0.572 0.402 0.870 0.435 CB 1.424 24 residues pruned to eliminate duplicates Z: 36 19.982 1.981 0.555 0.384 0.914 0.571 CB 1.357 36 residues pruned to eliminate duplicates Z: 18 16.722 1.945 0.811 0.470 0.824 0.471 CB 1.441 18 residues pruned to eliminate duplicates Z: 25 18.702 2.031 0.617 0.396 0.875 0.375 CB 1.482 25 residues pruned to eliminate duplicates Z: 32 18.428 1.971 0.553 0.372 0.871 0.548 CB 1.425 32 residues pruned to eliminate duplicates Z: 22 7.900 1.808 0.218 0.293 0.810 0.476 CB 1.220 22 residues pruned to eliminate duplicates Z: 42 19.493 1.910 0.548 0.394 0.854 0.561 CB 1.349 42 residues pruned to eliminate duplicates Z: 33 15.086 1.946 0.346 0.352 0.812 0.500 CB 1.471 33 residues pruned to eliminate duplicates Z: 23 10.024 1.877 0.253 0.306 0.909 0.545 CB 1.240 23 residues pruned to eliminate duplicates Z: 25 18.110 2.029 0.608 0.365 0.875 0.542 CB 1.497 25 residues pruned to eliminate duplicates Z: 21 10.350 1.832 0.428 0.261 0.850 0.400 CB 1.367 21 residues pruned to eliminate duplicates Z: 24 9.933 1.802 0.416 0.256 0.870 0.435 CB 1.235 24 residues pruned to eliminate duplicates Z: 19 10.178 1.812 0.254 0.312 0.944 0.500 CA 1.376 19 residues pruned to eliminate duplicates Z: 18 8.011 1.847 0.386 0.243 0.824 0.412 CB 1.241 18 residues pruned to eliminate duplicates Z: 33 18.167 1.936 0.548 0.353 0.875 0.469 CB 1.436 33 residues pruned to eliminate duplicates Z: 19 9.880 1.785 0.307 0.352 1.000 0.611 CB 1.171 19 residues pruned to eliminate duplicates Z: 16 9.884 1.829 0.509 0.316 0.933 0.533 CB 1.215 16 residues pruned to eliminate duplicates Z: 51 31.095 2.033 0.798 0.443 0.900 0.600 CB 1.417 51 residues pruned to eliminate duplicates Z: 19 9.851 1.795 0.262 0.356 0.944 0.611 CB 1.268 19 residues pruned to eliminate duplicates Z: 25 12.077 1.773 0.396 0.332 0.875 0.542 CB 1.367 25 residues pruned to eliminate duplicates Z: 9 6.978 1.705 0.333 0.328 1.000 0.375 CB 1.310 9 residues pruned to eliminate duplicates Z: 8 7.099 1.792 0.344 0.412 1.000 0.571 CA 1.221 8 residues pruned to eliminate duplicates Z: 10 8.731 1.742 0.385 0.426 1.000 0.444 CA 1.302 10 residues pruned to eliminate duplicates Z: 19 6.602 1.674 0.570 0.249 0.778 0.389 CB 1.017 19 residues pruned to eliminate duplicates Z: 13 9.065 1.840 0.662 0.318 0.750 0.500 CA 1.394 13 residues pruned to eliminate duplicates Z: 14 16.641 1.991 1.050 0.419 0.923 0.615 CA 1.333 14 residues pruned to eliminate duplicates Z: 13 13.840 1.876 0.920 0.465 0.833 0.583 CA 1.379 13 residues pruned to eliminate duplicates Z: 12 19.970 2.135 0.945 0.546 1.000 0.818 CA 1.387 12 residues pruned to eliminate duplicates Z: 22 16.084 1.960 0.865 0.419 0.810 0.524 CA 1.290 22 residues pruned to eliminate duplicates Z: 17 15.560 1.937 0.788 0.414 0.938 0.500 CA 1.311 17 residues pruned to eliminate duplicates Z: 13 16.466 2.106 0.867 0.415 0.917 0.417 CA 1.441 13 residues pruned to eliminate duplicates Z: 13 7.676 1.758 0.281 0.496 0.917 0.417 CA 1.078 13 residues pruned to eliminate duplicates Z: 12 15.410 1.967 0.911 0.451 1.000 0.273 CA 1.299 12 residues pruned to eliminate duplicates Z: 18 12.446 1.938 0.688 0.388 0.824 0.412 CA 1.262 17 residues pruned to eliminate duplicates 6 1.758 1.399 1.171 0.162 0.600 0.200 CA 0.652 ? Z: 6 3.605 1.402 0.858 0.295 0.800 0.600 CA 0.973 Z: 7 7.763 1.615 0.823 0.460 1.000 0.500 CB 1.121 7 residues pruned to eliminate duplicates Z: 23 16.006 1.881 0.570 0.545 0.864 0.500 CB 1.280 23 residues pruned to eliminate duplicates Z: 15 14.516 1.889 0.646 0.520 0.929 0.571 CB 1.317 15 residues pruned to eliminate duplicates Z: 23 16.262 1.915 0.527 0.479 0.909 0.455 CB 1.333 23 residues pruned to eliminate duplicates Z: 15 16.528 1.946 0.732 0.544 0.929 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 32 14.750 1.855 0.559 0.403 0.806 0.484 CB 1.258 32 residues pruned to eliminate duplicates Z: 21 10.960 1.910 0.409 0.352 0.800 0.500 CA 1.337 21 residues pruned to eliminate duplicates Z: 18 19.838 2.061 0.609 0.549 0.941 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 15 21.442 1.981 0.820 0.669 1.000 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 15 17.863 1.943 0.752 0.614 0.929 0.571 CB 1.355 15 residues pruned to eliminate duplicates Z: 26 12.827 1.778 0.489 0.558 0.880 0.560 CB 1.041 26 residues pruned to eliminate duplicates Z: 20 9.442 1.803 0.641 0.413 0.789 0.579 CB 1.016 20 residues pruned to eliminate duplicates Z: 89 42.010 2.103 0.703 0.486 0.886 0.580 CA 1.431 89 residues pruned to eliminate duplicates Z: 12 8.206 1.839 0.481 0.370 1.000 0.727 CB 1.044 12 residues pruned to eliminate duplicates Z: 40 21.350 1.969 0.613 0.449 0.897 0.436 CA 1.264 40 residues pruned to eliminate duplicates Z: 95 37.683 2.029 0.642 0.453 0.883 0.489 CB 1.386 95 residues pruned to eliminate duplicates Z: 10 5.134 1.759 0.460 0.307 1.000 0.444 CB 0.826 10 residues pruned to eliminate duplicates Z: 79 40.004 2.091 0.729 0.439 0.936 0.551 CA 1.425 79 residues pruned to eliminate duplicates Z: 109 47.381 2.102 0.735 0.452 0.907 0.537 CA 1.447 109 residues pruned to eliminate duplicates Z: 79 42.712 2.097 0.844 0.467 0.923 0.551 CA 1.401 79 residues pruned to eliminate duplicates Z: 41 23.621 2.025 0.746 0.392 0.900 0.500 CA 1.316 41 residues pruned to eliminate duplicates Z: 87 44.259 2.082 0.788 0.485 0.919 0.663 CA 1.416 87 residues pruned to eliminate duplicates Z: 110 43.992 2.070 0.744 0.433 0.890 0.596 CA 1.406 110 residues pruned to eliminate duplicates Z: 71 34.802 2.052 0.741 0.478 0.857 0.543 CA 1.389 136 residues pruned to eliminate duplicates Z: 71 40.687 2.128 0.791 0.499 0.929 0.629 CA 1.375 71 residues pruned to eliminate duplicates Z: 69 42.182 2.151 0.782 0.491 0.941 0.603 CA 1.431 69 residues pruned to eliminate duplicates Z: 70 40.512 2.154 0.797 0.477 0.884 0.565 CA 1.459 70 residues pruned to eliminate duplicates Z: 70 41.652 2.141 0.831 0.484 0.913 0.638 CA 1.424 70 residues pruned to eliminate duplicates Z: 55 33.093 2.012 0.812 0.499 0.926 0.537 CA 1.336 55 residues pruned to eliminate duplicates Z: 70 41.729 2.146 0.746 0.475 0.942 0.565 CA 1.459 70 residues pruned to eliminate duplicates Z: 78 37.367 2.113 0.715 0.434 0.883 0.571 CA 1.425 78 residues pruned to eliminate duplicates Z: 100 47.527 2.123 0.748 0.470 0.949 0.545 CA 1.397 100 residues pruned to eliminate duplicates Z: 32 25.028 2.113 0.833 0.524 0.871 0.548 CA 1.301 32 residues pruned to eliminate duplicates Z: 74 42.493 2.125 0.691 0.498 0.959 0.644 CA 1.446 74 residues pruned to eliminate duplicates Z: 113 44.125 2.096 0.667 0.421 0.893 0.545 CA 1.451 113 residues pruned to eliminate duplicates Z: 72 38.668 2.109 0.735 0.478 0.915 0.549 CA 1.400 72 residues pruned to eliminate duplicates Z: 35 28.705 2.174 0.747 0.494 0.912 0.588 CA 1.430 35 residues pruned to eliminate duplicates Z: 70 38.910 2.107 0.730 0.484 0.942 0.594 CA 1.386 70 residues pruned to eliminate duplicates Z: 66 37.230 2.111 0.778 0.467 0.908 0.523 CA 1.402 66 residues pruned to eliminate duplicates Z: 58 36.202 2.133 0.789 0.471 0.895 0.579 CA 1.447 58 residues pruned to eliminate duplicates Z: 70 41.320 2.141 0.788 0.483 0.928 0.522 CA 1.425 70 residues pruned to eliminate duplicates Z: 75 42.070 2.101 0.797 0.481 0.905 0.554 CA 1.460 75 residues pruned to eliminate duplicates Z: 109 49.808 2.117 0.758 0.472 0.907 0.583 CA 1.460 109 residues pruned to eliminate duplicates Z: 69 40.133 2.129 0.757 0.473 0.926 0.603 CA 1.444 69 residues pruned to eliminate duplicates Z: 46 29.551 1.984 0.913 0.454 0.867 0.556 CA 1.404 46 residues pruned to eliminate duplicates Z: 77 38.647 2.065 0.726 0.469 0.921 0.553 CA 1.393 77 residues pruned to eliminate duplicates Z: 51 30.443 2.103 0.667 0.435 0.920 0.480 CA 1.428 51 residues pruned to eliminate duplicates Z: 74 43.575 2.136 0.774 0.492 0.918 0.548 CA 1.478 74 residues pruned to eliminate duplicates Z: 49 33.981 2.066 0.813 0.478 0.917 0.521 CA 1.460 49 residues pruned to eliminate duplicates Z: 73 40.045 2.112 0.737 0.469 0.931 0.639 CA 1.427 73 residues pruned to eliminate duplicates Z: 77 41.567 2.108 0.800 0.470 0.908 0.592 CA 1.426 77 residues pruned to eliminate duplicates Z: 101 46.841 2.135 0.733 0.440 0.920 0.540 CA 1.464 101 residues pruned to eliminate duplicates Z: 74 40.853 2.110 0.690 0.462 0.945 0.534 CA 1.475 74 residues pruned to eliminate duplicates Z: 69 38.107 2.143 0.703 0.458 0.941 0.559 CA 1.404 69 residues pruned to eliminate duplicates Z: 71 38.551 2.088 0.697 0.457 0.929 0.614 CA 1.462 84 residues pruned to eliminate duplicates Z: 8 7.250 1.789 0.365 0.545 1.000 0.714 CA 1.074 8 residues pruned to eliminate duplicates Z: 70 41.213 2.114 0.810 0.479 0.928 0.551 CA 1.428 70 residues pruned to eliminate duplicates Z: 38 26.488 1.997 0.752 0.479 0.973 0.649 CA 1.307 38 residues pruned to eliminate duplicates Z: 63 38.385 2.107 0.764 0.471 0.935 0.516 CA 1.444 63 residues pruned to eliminate duplicates Z: 64 41.209 2.111 0.748 0.479 0.968 0.556 CA 1.484 64 residues pruned to eliminate duplicates Z: 76 41.408 2.069 0.756 0.509 0.920 0.627 CA 1.418 76 residues pruned to eliminate duplicates Z: 55 33.214 2.072 0.692 0.460 0.926 0.630 CA 1.450 55 residues pruned to eliminate duplicates Z: 71 40.169 2.088 0.795 0.479 0.929 0.643 CA 1.409 71 residues pruned to eliminate duplicates Z: 70 37.048 2.122 0.707 0.462 0.899 0.609 CA 1.424 70 residues pruned to eliminate duplicates Z: 53 31.533 2.096 0.702 0.432 0.885 0.500 CA 1.487 53 residues pruned to eliminate duplicates Z: 69 41.190 2.141 0.820 0.474 0.926 0.500 CA 1.422 69 residues pruned to eliminate duplicates Z: 25 24.484 2.064 0.746 0.500 0.958 0.667 CA 1.447 25 residues pruned to eliminate duplicates Z: 52 28.139 1.985 0.708 0.419 0.922 0.686 CB 1.373 52 residues pruned to eliminate duplicates Z: 70 38.928 2.107 0.781 0.457 0.913 0.507 CA 1.430 70 residues pruned to eliminate duplicates Z: 82 44.975 2.097 0.747 0.476 0.938 0.654 CA 1.489 82 residues pruned to eliminate duplicates Z: 27 27.561 2.082 0.844 0.505 1.000 0.654 CA 1.401 27 residues pruned to eliminate duplicates Z: 69 38.020 2.136 0.706 0.454 0.912 0.647 CA 1.455 69 residues pruned to eliminate duplicates Z: 69 33.964 2.046 0.649 0.459 0.897 0.544 CA 1.419 69 residues pruned to eliminate duplicates Z: 72 44.662 2.117 0.828 0.500 0.958 0.549 CA 1.430 72 residues pruned to eliminate duplicates Z: 39 27.842 2.003 0.760 0.448 0.947 0.579 CA 1.426 39 residues pruned to eliminate duplicates Z: 52 32.044 2.121 0.620 0.463 0.902 0.588 CA 1.504 52 residues pruned to eliminate duplicates Z: 64 40.372 2.109 0.804 0.499 0.921 0.571 CA 1.454 64 residues pruned to eliminate duplicates Z: 43 29.623 2.062 0.765 0.455 0.905 0.548 CA 1.453 43 residues pruned to eliminate duplicates Z: 54 32.918 2.094 0.684 0.454 0.887 0.509 CA 1.516 54 residues pruned to eliminate duplicates Z: 63 39.984 2.138 0.731 0.509 0.935 0.581 CA 1.453 63 residues pruned to eliminate duplicates Z: 42 22.847 2.116 0.511 0.424 0.854 0.488 CA 1.415 42 residues pruned to eliminate duplicates Z: 38 27.348 2.007 0.649 0.454 0.973 0.595 CA 1.462 38 residues pruned to eliminate duplicates Z: 22 14.413 2.001 0.399 0.404 0.905 0.667 CB 1.373 22 residues pruned to eliminate duplicates Z: 36 18.495 1.884 0.482 0.413 0.943 0.571 CB 1.301 36 residues pruned to eliminate duplicates Z: 83 37.788 2.083 0.654 0.473 0.866 0.622 CA 1.438 83 residues pruned to eliminate duplicates Z: 81 37.823 2.114 0.542 0.421 0.925 0.500 CA 1.524 81 residues pruned to eliminate duplicates Z: 86 40.299 2.100 0.663 0.460 0.918 0.612 CA 1.420 86 residues pruned to eliminate duplicates Z: 48 31.828 1.996 0.683 0.474 0.979 0.660 CA 1.449 48 residues pruned to eliminate duplicates Z: 86 46.196 2.125 0.796 0.489 0.918 0.541 CA 1.446 35 residues pruned to eliminate duplicates Z: 6 6.451 1.680 0.510 0.314 1.000 0.800 CA 1.397 6 residues pruned to eliminate duplicates Z: 109 44.493 2.102 0.618 0.428 0.907 0.546 CA 1.494 109 residues pruned to eliminate duplicates Z: 31 23.779 2.135 0.669 0.447 0.867 0.467 CB 1.485 31 residues pruned to eliminate duplicates Z: 75 37.592 2.092 0.647 0.405 0.932 0.541 CA 1.503 75 residues pruned to eliminate duplicates Z: 48 27.546 2.119 0.589 0.387 0.894 0.447 CA 1.505 48 residues pruned to eliminate duplicates Z: 37 29.490 2.123 0.758 0.433 0.917 0.583 CA 1.539 37 residues pruned to eliminate duplicates Z: 92 41.798 2.106 0.696 0.414 0.934 0.527 CA 1.437 92 residues pruned to eliminate duplicates Z: 31 23.454 2.193 0.664 0.376 0.900 0.633 CA 1.489 31 residues pruned to eliminate duplicates Z: 80 39.221 2.143 0.637 0.420 0.911 0.557 CA 1.501 80 residues pruned to eliminate duplicates Z: 38 22.772 2.102 0.537 0.388 0.892 0.514 CA 1.463 38 residues pruned to eliminate duplicates Z: 105 46.916 2.126 0.712 0.431 0.913 0.538 CA 1.487 105 residues pruned to eliminate duplicates Z: 35 29.865 2.146 0.752 0.460 0.941 0.647 CA 1.508 35 residues pruned to eliminate duplicates Z: 113 50.760 2.111 0.748 0.466 0.911 0.580 CA 1.478 113 residues pruned to eliminate duplicates Z: 116 48.967 2.109 0.701 0.435 0.922 0.565 CA 1.476 139 residues pruned to eliminate duplicates Z: 31 22.416 2.175 0.574 0.391 0.933 0.600 CA 1.437 31 residues pruned to eliminate duplicates Z: 68 37.823 2.082 0.747 0.440 0.925 0.612 CA 1.461 68 residues pruned to eliminate duplicates Z: 32 25.338 2.159 0.577 0.431 0.935 0.516 CB 1.534 32 residues pruned to eliminate duplicates Z: 16 16.803 2.044 0.719 0.497 0.867 0.467 CA 1.429 16 residues pruned to eliminate duplicates Z: 47 23.397 2.032 0.535 0.325 0.891 0.413 CA 1.504 47 residues pruned to eliminate duplicates Z: 15 12.761 1.983 0.584 0.498 0.929 0.429 CA 1.172 15 residues pruned to eliminate duplicates Z: 19 13.060 1.819 0.848 0.458 0.889 0.500 CA 1.075 19 residues pruned to eliminate duplicates Z: 101 48.993 2.144 0.717 0.473 0.930 0.580 CA 1.471 59 residues pruned to eliminate duplicates Z: 6 3.546 1.802 0.273 0.347 0.800 0.200 CA 1.020 6 residues pruned to eliminate duplicates Z: 15 16.994 2.037 0.925 0.479 0.857 0.357 CA 1.380 14 residues pruned to eliminate duplicates Z: 6 5.770 1.479 1.229 0.443 0.800 0.600 C 1.037 6 residues pruned to eliminate duplicates Z: 108 45.569 2.106 0.723 0.438 0.888 0.570 CA 1.458 108 residues pruned to eliminate duplicates Z: 42 24.340 2.090 0.725 0.333 0.878 0.390 CA 1.441 42 residues pruned to eliminate duplicates Z: 72 38.732 2.102 0.758 0.401 0.930 0.535 CA 1.485 72 residues pruned to eliminate duplicates Z: 13 7.225 1.909 0.825 0.282 0.583 0.417 CA 1.313 8 residues pruned to eliminate duplicates Z: 7 3.436 1.412 0.290 0.326 0.833 0.167 CB 1.118 7 residues pruned to eliminate duplicates Z: 6 4.694 1.540 0.843 0.321 0.800 0.200 N 1.127 6 residues pruned to eliminate duplicates Z: 14 11.675 2.022 0.864 0.396 0.769 0.462 CB 1.247 5 residues pruned to eliminate duplicates Z: 10 4.102 1.675 0.162 0.535 0.667 0.444 CA 1.018 10 residues pruned to eliminate duplicates Z: 20 11.005 1.919 0.514 0.382 0.737 0.474 CB 1.337 20 residues pruned to eliminate duplicates Z: 22 12.284 1.901 0.483 0.422 0.762 0.429 CB 1.355 22 residues pruned to eliminate duplicates Z: 15 10.615 1.964 0.500 0.356 0.786 0.429 CB 1.433 15 residues pruned to eliminate duplicates Z: 17 9.618 1.897 0.558 0.395 0.688 0.375 CB 1.322 17 residues pruned to eliminate duplicates Z: 57 35.562 2.035 0.681 0.543 0.911 0.661 CB 1.462 57 residues pruned to eliminate duplicates Z: 16 12.824 1.963 0.553 0.477 0.867 0.400 CB 1.283 16 residues pruned to eliminate duplicates Z: 19 12.399 1.881 0.577 0.360 0.833 0.444 CB 1.375 19 residues pruned to eliminate duplicates Z: 16 14.606 1.989 0.723 0.467 0.867 0.667 CB 1.312 16 residues pruned to eliminate duplicates Z: 20 15.382 1.863 0.583 0.422 0.947 0.632 CB 1.370 20 residues pruned to eliminate duplicates Z: 20 12.266 1.820 0.585 0.411 0.895 0.579 CB 1.196 20 residues pruned to eliminate duplicates Z: 18 16.425 1.885 0.723 0.472 0.941 0.529 CB 1.341 18 residues pruned to eliminate duplicates Z: 15 16.847 2.008 0.566 0.516 1.000 0.786 CB 1.410 15 residues pruned to eliminate duplicates Z: 41 23.280 1.992 0.614 0.438 0.925 0.550 CB 1.319 41 residues pruned to eliminate duplicates Z: 38 33.917 2.094 0.782 0.511 0.973 0.676 CB 1.519 38 residues pruned to eliminate duplicates Z: 15 10.492 1.790 0.675 0.261 0.857 0.500 CB 1.434 15 residues pruned to eliminate duplicates Z: 41 30.720 2.039 0.830 0.505 0.900 0.650 CB 1.439 41 residues pruned to eliminate duplicates Z: 27 20.802 1.992 0.780 0.419 0.846 0.385 CA 1.479 27 residues pruned to eliminate duplicates Z: 26 29.489 2.108 0.901 0.550 0.960 0.520 CB 1.459 26 residues pruned to eliminate duplicates Z: 26 27.053 2.089 0.871 0.510 0.880 0.440 CB 1.557 26 residues pruned to eliminate duplicates Z: 24 24.995 2.145 0.819 0.511 0.870 0.652 CB 1.520 24 residues pruned to eliminate duplicates Z: 38 30.111 2.078 0.703 0.538 0.919 0.649 CB 1.468 38 residues pruned to eliminate duplicates Z: 43 28.112 2.000 0.665 0.518 0.905 0.619 CB 1.415 43 residues pruned to eliminate duplicates Z: 21 21.502 2.145 0.709 0.486 0.850 0.600 CB 1.566 21 residues pruned to eliminate duplicates Z: 25 33.481 2.163 1.023 0.628 0.917 0.750 CA 1.510 25 residues pruned to eliminate duplicates Z: 23 29.175 2.167 0.966 0.534 0.909 0.545 CB 1.553 23 residues pruned to eliminate duplicates Z: 23 21.204 2.104 0.679 0.501 0.818 0.545 CA 1.562 23 residues pruned to eliminate duplicates Z: 31 24.679 1.955 0.948 0.537 0.833 0.567 CB 1.369 31 residues pruned to eliminate duplicates Z: 13 14.878 2.093 0.841 0.605 0.833 0.583 CB 1.211 13 residues pruned to eliminate duplicates Z: 34 27.174 2.035 0.695 0.554 0.848 0.727 CB 1.534 34 residues pruned to eliminate duplicates Z: 27 36.433 2.068 1.068 0.668 0.923 0.692 CA 1.550 27 residues pruned to eliminate duplicates Z: 24 24.112 2.070 0.832 0.547 0.826 0.609 CB 1.533 24 residues pruned to eliminate duplicates Z: 31 27.123 2.061 0.548 0.581 0.900 0.600 CB 1.596 31 residues pruned to eliminate duplicates Z: 26 28.998 2.080 0.813 0.600 0.880 0.680 CA 1.589 26 residues pruned to eliminate duplicates Z: 16 21.637 2.026 0.941 0.627 0.933 0.667 CB 1.351 16 residues pruned to eliminate duplicates Z: 34 29.559 2.038 0.615 0.560 0.909 0.758 CB 1.622 34 residues pruned to eliminate duplicates Z: 17 17.194 1.950 0.593 0.621 0.938 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 40 29.999 2.043 0.792 0.554 0.872 0.667 CB 1.427 66 residues pruned to eliminate duplicates Z: 45 36.441 2.044 0.828 0.576 0.886 0.636 CB 1.542 45 residues pruned to eliminate duplicates Z: 26 26.618 2.009 0.743 0.550 0.920 0.720 CA 1.574 26 residues pruned to eliminate duplicates Z: 25 23.661 2.007 0.638 0.560 0.917 0.708 CA 1.513 25 residues pruned to eliminate duplicates Z: 30 21.569 1.884 0.620 0.505 0.931 0.690 CA 1.402 30 residues pruned to eliminate duplicates Z: 20 14.645 1.954 0.564 0.443 0.789 0.526 CB 1.477 20 residues pruned to eliminate duplicates Z: 27 23.466 1.978 0.757 0.495 0.846 0.615 CA 1.573 27 residues pruned to eliminate duplicates Z: 34 25.363 2.023 0.633 0.513 0.879 0.636 CA 1.502 34 residues pruned to eliminate duplicates Z: 20 17.604 1.936 0.554 0.531 0.895 0.737 CA 1.455 20 residues pruned to eliminate duplicates Z: 34 30.835 2.074 0.803 0.591 0.848 0.697 CA 1.551 39 residues pruned to eliminate duplicates Z: 6 6.805 1.570 0.765 0.412 1.000 0.800 CA 1.204 6 residues pruned to eliminate duplicates Z: 27 25.627 1.985 0.798 0.563 0.885 0.654 CA 1.497 27 residues pruned to eliminate duplicates Z: 14 6.354 1.712 0.339 0.340 0.846 0.462 CA 1.082 10 residues pruned to eliminate duplicates Z: 7 4.867 1.642 0.463 0.541 0.833 0.833 CA 0.954 7 residues pruned to eliminate duplicates Z: 28 23.445 1.965 0.707 0.557 0.889 0.741 CA 1.431 29 residues pruned to eliminate duplicates Z: 7 3.531 1.726 0.306 0.396 0.667 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 17 7.592 1.699 0.288 0.313 0.875 0.688 CB 1.220 17 residues pruned to eliminate duplicates Z: 29 18.367 1.855 0.608 0.457 0.893 0.643 CA 1.362 29 residues pruned to eliminate duplicates Z: 6 2.456 1.788 0.286 0.112 0.800 0.400 CA 0.976 6 residues pruned to eliminate duplicates Z: 10 8.271 1.862 0.648 0.383 0.889 0.444 CB 1.144 10 residues pruned to eliminate duplicates Z: 7 10.741 2.109 0.614 0.466 0.833 0.500 CB 1.601 7 residues pruned to eliminate duplicates Z: 16 11.752 2.030 0.326 0.393 0.867 0.267 CA 1.456 16 residues pruned to eliminate duplicates Z: 9 14.522 2.076 0.495 0.473 1.000 0.875 CA 1.699 9 residues pruned to eliminate duplicates Z: 7 2.125 1.488 -0.101 0.434 0.667 0.667 N 1.042 Z: 6 3.491 1.266 0.790 0.458 0.800 0.600 N 0.899 7 residues pruned to eliminate duplicates Z: 6 2.625 1.280 0.484 0.270 1.000 0.600 CB 0.803 5 residues pruned to eliminate duplicates Z: 13 8.796 1.668 0.444 0.401 1.000 0.583 CB 1.170 26 residues pruned to eliminate duplicates Z: 7 4.313 1.334 0.648 0.371 0.833 0.167 CA 1.104 6 residues pruned to eliminate duplicates Z: 7 2.129 1.297 0.761 0.271 0.667 0.167 CA 0.740 7 residues pruned to eliminate duplicates Z: 26 19.074 2.004 0.625 0.449 0.920 0.600 CA 1.342 28 residues pruned to eliminate duplicates Z: 6 3.875 1.508 0.983 0.305 1.000 0.600 CA 0.720 6 residues pruned to eliminate duplicates Z: 24 14.239 1.895 0.465 0.549 0.826 0.565 CB 1.234 24 residues pruned to eliminate duplicates Z: 30 17.557 1.918 0.688 0.471 0.828 0.552 CA 1.253 30 residues pruned to eliminate duplicates Z: 15 16.659 2.026 0.760 0.558 0.929 0.643 CA 1.270 15 residues pruned to eliminate duplicates Z: 6 3.230 1.241 0.756 0.397 0.800 0.400 CA 0.924 6 residues pruned to eliminate duplicates Z: 11 9.825 1.939 0.813 0.402 0.800 0.700 CA 1.225 11 residues pruned to eliminate duplicates Z: 29 15.351 1.935 0.555 0.485 0.786 0.500 CA 1.246 29 residues pruned to eliminate duplicates Z: 13 9.322 1.895 0.840 0.496 0.750 0.583 CB 1.034 13 residues pruned to eliminate duplicates Z: 48 26.707 1.988 0.701 0.528 0.894 0.574 CA 1.254 66 residues pruned to eliminate duplicates Z: 6 3.120 1.784 0.589 0.263 0.800 0.800 CA 0.806 6 residues pruned to eliminate duplicates Z: 17 6.941 1.609 0.581 0.213 0.750 0.438 CB 1.276 17 residues pruned to eliminate duplicates Z: 8 17.277 2.072 0.935 0.623 1.000 0.714 CB 1.450 8 residues pruned to eliminate duplicates Z: 60 34.227 2.011 0.818 0.492 0.898 0.593 CB 1.367 60 residues pruned to eliminate duplicates Z: 15 19.207 2.185 0.871 0.567 0.786 0.714 CA 1.499 15 residues pruned to eliminate duplicates Z: 19 18.615 2.101 0.759 0.544 0.833 0.500 CB 1.364 19 residues pruned to eliminate duplicates Z: 37 25.045 2.014 0.709 0.525 0.889 0.611 CB 1.331 37 residues pruned to eliminate duplicates Z: 16 20.284 2.130 0.774 0.546 0.933 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 18 19.451 2.104 0.639 0.625 0.882 0.765 CA 1.379 18 residues pruned to eliminate duplicates Z: 18 22.999 2.156 0.764 0.601 0.941 0.765 CB 1.415 18 residues pruned to eliminate duplicates Z: 61 36.375 2.026 0.719 0.521 0.950 0.683 CA 1.390 61 residues pruned to eliminate duplicates Z: 54 35.439 2.015 0.787 0.542 0.925 0.585 CA 1.403 54 residues pruned to eliminate duplicates Z: 60 32.702 2.040 0.753 0.456 0.881 0.559 CA 1.413 60 residues pruned to eliminate duplicates Z: 53 33.233 2.023 0.742 0.517 0.923 0.692 CB 1.393 53 residues pruned to eliminate duplicates Z: 58 33.340 1.989 0.828 0.516 0.877 0.614 CA 1.363 58 residues pruned to eliminate duplicates Z: 30 18.227 2.012 0.709 0.458 0.828 0.552 CB 1.241 42 residues pruned to eliminate duplicates Z: 35 27.365 2.039 0.844 0.519 0.912 0.618 CB 1.344 35 residues pruned to eliminate duplicates Z: 38 21.272 1.949 0.610 0.511 0.919 0.541 CB 1.200 38 residues pruned to eliminate duplicates Z: 38 25.873 2.013 0.729 0.500 0.919 0.568 CB 1.330 38 residues pruned to eliminate duplicates Z: 32 23.833 2.062 0.573 0.481 0.968 0.484 CA 1.391 32 residues pruned to eliminate duplicates Z: 59 37.443 2.054 0.818 0.525 0.914 0.638 CB 1.406 59 residues pruned to eliminate duplicates Z: 53 39.109 2.034 0.855 0.540 0.981 0.635 CA 1.409 53 residues pruned to eliminate duplicates Z: 59 34.820 2.040 0.773 0.504 0.931 0.586 CB 1.351 59 residues pruned to eliminate duplicates Z: 65 36.665 2.011 0.744 0.499 0.938 0.641 CB 1.395 65 residues pruned to eliminate duplicates Z: 80 37.425 2.045 0.685 0.428 0.886 0.595 CB 1.487 80 residues pruned to eliminate duplicates Z: 58 33.556 1.954 0.741 0.510 0.947 0.579 CB 1.366 58 residues pruned to eliminate duplicates Z: 53 34.532 2.019 0.769 0.531 0.923 0.615 CA 1.408 53 residues pruned to eliminate duplicates Z: 52 37.415 2.028 0.772 0.556 0.941 0.588 CB 1.468 52 residues pruned to eliminate duplicates Z: 60 32.745 1.985 0.656 0.516 0.932 0.661 CB 1.369 60 residues pruned to eliminate duplicates Z: 39 28.126 2.002 0.719 0.479 0.947 0.658 CA 1.429 39 residues pruned to eliminate duplicates Z: 60 33.442 2.011 0.689 0.490 0.915 0.627 CA 1.414 60 residues pruned to eliminate duplicates Z: 60 35.313 2.032 0.719 0.522 0.932 0.678 CB 1.382 60 residues pruned to eliminate duplicates Z: 38 25.891 1.992 0.659 0.513 0.946 0.730 CA 1.343 38 residues pruned to eliminate duplicates Z: 98 42.536 2.034 0.734 0.459 0.887 0.598 CB 1.440 98 residues pruned to eliminate duplicates Z: 52 33.869 2.019 0.731 0.561 0.922 0.686 CA 1.388 52 residues pruned to eliminate duplicates Z: 67 36.438 2.001 0.738 0.508 0.939 0.682 CB 1.362 67 residues pruned to eliminate duplicates Z: 26 25.907 1.990 0.814 0.550 1.000 0.800 CA 1.367 26 residues pruned to eliminate duplicates Z: 26 25.183 1.943 0.899 0.527 1.000 0.760 CA 1.329 26 residues pruned to eliminate duplicates Z: 30 23.077 1.957 0.724 0.473 0.966 0.724 CA 1.353 30 residues pruned to eliminate duplicates Z: 38 29.787 2.002 0.777 0.549 0.946 0.865 CA 1.387 38 residues pruned to eliminate duplicates Z: 34 27.367 1.956 0.955 0.536 0.939 0.727 CB 1.280 34 residues pruned to eliminate duplicates Z: 57 34.431 2.009 0.752 0.525 0.929 0.625 CA 1.373 57 residues pruned to eliminate duplicates Z: 68 36.101 2.005 0.706 0.507 0.940 0.627 CB 1.363 68 residues pruned to eliminate duplicates Z: 63 36.615 2.042 0.706 0.514 0.919 0.597 CB 1.431 63 residues pruned to eliminate duplicates Z: 25 25.725 2.018 0.890 0.586 0.958 0.792 CA 1.323 25 residues pruned to eliminate duplicates Z: 65 33.140 1.971 0.664 0.520 0.906 0.656 CB 1.367 65 residues pruned to eliminate duplicates Z: 41 28.060 1.997 0.777 0.524 0.900 0.625 CA 1.356 41 residues pruned to eliminate duplicates Z: 25 27.905 2.055 0.889 0.597 1.000 0.750 CA 1.337 25 residues pruned to eliminate duplicates Z: 56 36.514 2.031 0.745 0.547 0.927 0.636 CA 1.432 56 residues pruned to eliminate duplicates Z: 26 24.763 1.995 0.857 0.581 0.920 0.840 CA 1.344 26 residues pruned to eliminate duplicates Z: 37 31.975 2.048 0.856 0.546 0.944 0.750 CA 1.420 37 residues pruned to eliminate duplicates Z: 51 37.776 2.043 0.779 0.568 0.940 0.660 CB 1.464 51 residues pruned to eliminate duplicates Z: 38 26.563 1.978 0.717 0.533 0.919 0.676 CA 1.354 38 residues pruned to eliminate duplicates Z: 99 43.804 2.015 0.698 0.475 0.898 0.643 CA 1.478 107 residues pruned to eliminate duplicates Z: 82 44.923 2.047 0.713 0.530 0.938 0.704 CA 1.473 82 residues pruned to eliminate duplicates Z: 74 43.883 2.063 0.775 0.534 0.932 0.671 CB 1.456 74 residues pruned to eliminate duplicates Z: 25 19.439 1.950 0.585 0.532 0.875 0.625 CB 1.422 25 residues pruned to eliminate duplicates Z: 86 39.826 1.988 0.699 0.532 0.882 0.635 CB 1.405 86 residues pruned to eliminate duplicates Z: 71 42.736 2.042 0.700 0.547 0.957 0.714 CB 1.469 71 residues pruned to eliminate duplicates Z: 19 10.891 1.820 0.444 0.365 0.833 0.611 CA 1.355 19 residues pruned to eliminate duplicates Z: 15 11.781 1.904 0.428 0.381 0.929 0.571 CA 1.415 15 residues pruned to eliminate duplicates Z: 73 44.809 2.033 0.770 0.577 0.958 0.653 CA 1.422 73 residues pruned to eliminate duplicates Z: 64 35.394 2.004 0.671 0.516 0.937 0.698 CA 1.399 64 residues pruned to eliminate duplicates Z: 24 20.815 2.006 0.835 0.492 0.870 0.565 CA 1.366 24 residues pruned to eliminate duplicates Z: 50 37.192 2.040 0.761 0.562 0.980 0.694 CA 1.421 50 residues pruned to eliminate duplicates Z: 63 36.261 1.987 0.719 0.526 0.919 0.645 CA 1.429 63 residues pruned to eliminate duplicates Z: 66 35.703 2.053 0.752 0.475 0.877 0.631 CA 1.440 66 residues pruned to eliminate duplicates Z: 28 19.436 1.932 0.666 0.470 0.889 0.519 CA 1.348 28 residues pruned to eliminate duplicates Z: 81 40.429 1.983 0.768 0.512 0.900 0.675 CB 1.416 81 residues pruned to eliminate duplicates Z: 33 21.433 2.021 0.623 0.429 0.844 0.656 CA 1.474 33 residues pruned to eliminate duplicates Z: 42 27.336 2.009 0.651 0.521 0.927 0.732 CA 1.360 42 residues pruned to eliminate duplicates Z: 11 13.563 1.885 0.547 0.590 1.000 0.800 CA 1.349 11 residues pruned to eliminate duplicates Z: 64 33.645 2.019 0.626 0.490 0.937 0.587 CA 1.392 64 residues pruned to eliminate duplicates Z: 10 18.159 2.002 0.738 0.669 1.000 0.889 CA 1.488 10 residues pruned to eliminate duplicates Z: 91 35.636 2.017 0.590 0.425 0.878 0.533 CA 1.442 91 residues pruned to eliminate duplicates Z: 26 17.154 1.980 0.494 0.412 0.880 0.600 CA 1.445 26 residues pruned to eliminate duplicates Z: 66 36.894 1.982 0.700 0.496 0.954 0.692 CB 1.430 66 residues pruned to eliminate duplicates Z: 38 27.277 2.040 0.751 0.433 0.946 0.649 CB 1.423 38 residues pruned to eliminate duplicates Z: 35 19.718 2.030 0.676 0.350 0.853 0.500 CB 1.371 35 residues pruned to eliminate duplicates Z: 34 24.710 2.030 0.705 0.379 0.939 0.576 CA 1.505 34 residues pruned to eliminate duplicates Z: 83 44.244 2.052 0.687 0.521 0.939 0.732 CB 1.471 83 residues pruned to eliminate duplicates Z: 97 41.688 2.029 0.674 0.487 0.896 0.625 CB 1.416 97 residues pruned to eliminate duplicates Z: 101 41.953 2.014 0.653 0.488 0.910 0.600 CA 1.400 101 residues pruned to eliminate duplicates Z: 25 22.026 2.068 0.652 0.437 0.917 0.583 CB 1.533 25 residues pruned to eliminate duplicates Z: 22 17.725 2.140 0.802 0.285 0.905 0.524 CB 1.412 22 residues pruned to eliminate duplicates Z: 27 15.125 2.010 0.688 0.299 0.885 0.462 CB 1.237 27 residues pruned to eliminate duplicates Z: 25 19.303 2.042 0.867 0.332 0.917 0.625 CB 1.355 25 residues pruned to eliminate duplicates Z: 42 28.028 2.056 0.650 0.426 0.927 0.610 CB 1.503 42 residues pruned to eliminate duplicates Z: 25 16.892 2.051 0.765 0.331 0.875 0.500 CB 1.311 25 residues pruned to eliminate duplicates Z: 67 37.500 2.048 0.687 0.492 0.924 0.697 CA 1.457 67 residues pruned to eliminate duplicates Z: 8 8.128 2.121 0.574 0.512 0.857 0.571 CB 1.061 8 residues pruned to eliminate duplicates Z: 9 8.895 2.112 0.654 0.446 0.875 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 9 5.328 2.004 0.413 0.457 0.750 0.500 CB 0.927 9 residues pruned to eliminate duplicates Z: 24 20.440 2.100 0.758 0.429 0.957 0.609 CB 1.299 24 residues pruned to eliminate duplicates Z: 7 10.346 2.148 0.778 0.455 0.833 0.667 CB 1.389 7 residues pruned to eliminate duplicates Z: 109 45.932 2.050 0.671 0.494 0.907 0.639 CB 1.430 109 residues pruned to eliminate duplicates Z: 15 12.511 1.995 0.689 0.426 0.786 0.571 CB 1.363 15 residues pruned to eliminate duplicates Z: 11 8.500 1.814 0.618 0.381 0.800 0.600 CB 1.299 10 residues pruned to eliminate duplicates Z: 6 4.530 1.509 0.830 0.392 0.800 0.600 CA 1.029 Z: 6 4.435 1.577 0.616 0.474 1.000 0.400 CA 0.799 11 residues pruned to eliminate duplicates Z: 8 5.570 1.424 0.760 0.458 1.000 0.571 CA 0.877 8 residues pruned to eliminate duplicates Z: 52 25.716 2.048 0.564 0.436 0.922 0.471 CB 1.304 53 residues pruned to eliminate duplicates 6 1.350 1.481 0.456 0.100 0.800 0.200 CA 0.583 ? Z: 7 5.070 1.729 0.506 0.345 0.833 0.333 N 1.129 7 residues pruned to eliminate duplicates 6 1.827 1.741 0.070 0.433 0.400 0.000 CA 1.175 ? Z: 35 25.328 2.116 0.595 0.490 0.971 0.500 CB 1.339 35 residues pruned to eliminate duplicates Z: 19 14.428 2.083 0.585 0.545 0.889 0.611 CB 1.110 19 residues pruned to eliminate duplicates Z: 21 12.339 2.039 0.473 0.451 0.850 0.500 CB 1.137 21 residues pruned to eliminate duplicates Z: 35 22.005 2.095 0.614 0.489 0.882 0.588 CB 1.279 35 residues pruned to eliminate duplicates Z: 23 13.251 2.047 0.441 0.431 0.864 0.591 CB 1.191 23 residues pruned to eliminate duplicates Z: 15 12.619 2.062 0.341 0.519 1.000 0.571 CB 1.197 15 residues pruned to eliminate duplicates Z: 37 21.989 2.078 0.504 0.484 0.944 0.583 CB 1.263 37 residues pruned to eliminate duplicates Z: 13 8.976 1.989 0.345 0.483 1.000 0.500 CB 0.985 13 residues pruned to eliminate duplicates Z: 29 19.897 2.079 0.469 0.491 0.929 0.536 CB 1.338 29 residues pruned to eliminate duplicates Z: 39 21.453 2.051 0.578 0.406 0.921 0.447 CB 1.289 39 residues pruned to eliminate duplicates Z: 36 21.876 2.046 0.522 0.488 0.943 0.600 CB 1.275 36 residues pruned to eliminate duplicates Z: 37 20.719 2.075 0.521 0.443 0.917 0.556 CB 1.266 37 residues pruned to eliminate duplicates Z: 39 18.394 2.063 0.432 0.423 0.868 0.447 CB 1.260 39 residues pruned to eliminate duplicates Z: 45 21.750 2.034 0.618 0.453 0.909 0.455 CB 1.150 45 residues pruned to eliminate duplicates Z: 30 22.586 2.128 0.656 0.497 0.897 0.586 CB 1.332 30 residues pruned to eliminate duplicates Z: 18 19.689 2.095 0.614 0.476 0.941 0.588 CB 1.538 18 residues pruned to eliminate duplicates Z: 27 24.752 2.132 0.602 0.548 1.000 0.615 CB 1.355 27 residues pruned to eliminate duplicates Z: 19 17.747 2.068 0.734 0.449 0.944 0.556 CB 1.302 19 residues pruned to eliminate duplicates Z: 30 20.885 2.093 0.557 0.501 0.931 0.552 CB 1.278 30 residues pruned to eliminate duplicates Z: 28 18.126 2.060 0.682 0.404 0.815 0.407 CB 1.366 28 residues pruned to eliminate duplicates Z: 35 24.568 2.080 0.764 0.480 0.912 0.588 CB 1.284 35 residues pruned to eliminate duplicates Z: 33 20.908 2.073 0.572 0.462 0.906 0.531 CB 1.301 33 residues pruned to eliminate duplicates Z: 25 16.788 2.063 0.828 0.363 0.792 0.458 CB 1.330 25 residues pruned to eliminate duplicates Z: 39 24.818 2.100 0.670 0.449 0.921 0.632 CB 1.314 39 residues pruned to eliminate duplicates Z: 43 27.228 2.103 0.727 0.495 0.905 0.595 CB 1.284 43 residues pruned to eliminate duplicates Z: 37 24.065 2.097 0.660 0.464 0.889 0.556 CB 1.345 37 residues pruned to eliminate duplicates Z: 61 21.262 1.990 0.488 0.378 0.867 0.483 CB 1.218 61 residues pruned to eliminate duplicates Z: 19 22.361 2.129 0.748 0.503 0.944 0.444 CB 1.494 19 residues pruned to eliminate duplicates Z: 19 19.536 2.106 0.788 0.434 0.889 0.556 CB 1.473 19 residues pruned to eliminate duplicates Z: 23 16.526 2.088 0.737 0.342 0.818 0.409 CB 1.411 23 residues pruned to eliminate duplicates Z: 27 20.812 2.087 0.798 0.400 0.846 0.423 CB 1.428 27 residues pruned to eliminate duplicates Z: 36 18.046 1.934 0.544 0.386 0.886 0.429 CB 1.301 36 residues pruned to eliminate duplicates Z: 28 17.349 2.037 0.701 0.362 0.815 0.519 CB 1.371 28 residues pruned to eliminate duplicates Z: 28 15.000 2.061 0.421 0.371 0.852 0.407 CB 1.329 28 residues pruned to eliminate duplicates Z: 21 12.913 1.765 0.596 0.390 0.900 0.300 CB 1.279 21 residues pruned to eliminate duplicates Z: 10 6.067 1.854 0.628 0.263 0.889 0.222 CB 0.988 10 residues pruned to eliminate duplicates Z: 9 4.162 1.870 0.385 0.256 0.750 0.375 CB 1.002 9 residues pruned to eliminate duplicates Z: 7 5.531 2.012 0.402 0.253 1.000 0.500 CB 1.064 7 residues pruned to eliminate duplicates Z: 20 13.748 1.853 0.596 0.472 0.947 0.579 CB 1.159 4 residues pruned to eliminate duplicates Z: 6 7.464 1.875 0.212 0.833 1.000 0.800 CA 1.102 6 residues pruned to eliminate duplicates Z: 17 12.296 1.906 0.650 0.423 0.812 0.562 CA 1.304 17 residues pruned to eliminate duplicates Z: 18 11.615 1.813 0.800 0.449 0.824 0.471 CB 1.105 18 residues pruned to eliminate duplicates Z: 17 14.555 1.887 0.856 0.449 0.812 0.688 CB 1.347 17 residues pruned to eliminate duplicates Z: 8 5.061 1.525 0.703 0.359 0.857 0.286 CA 1.000 8 residues pruned to eliminate duplicates Z: 13 11.667 1.757 0.774 0.305 1.000 0.500 CA 1.342 13 residues pruned to eliminate duplicates Z: 16 12.556 1.869 0.622 0.475 0.933 0.667 CB 1.175 16 residues pruned to eliminate duplicates Z: 6 6.946 1.629 0.562 0.492 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 17 11.596 1.883 0.488 0.445 0.875 0.562 CB 1.252 17 residues pruned to eliminate duplicates Z: 11 8.174 1.839 0.630 0.330 0.800 0.500 CB 1.299 11 residues pruned to eliminate duplicates Z: 15 16.683 1.979 0.806 0.503 1.000 0.714 CB 1.244 15 residues pruned to eliminate duplicates Z: 6 7.391 1.566 0.935 0.411 1.000 0.600 O 1.197 6 residues pruned to eliminate duplicates Z: 10 15.193 1.911 0.903 0.672 1.000 1.000 CA 1.189 13 residues pruned to eliminate duplicates Z: 7 3.755 1.450 1.003 0.374 0.833 0.667 CA 0.725 7 residues pruned to eliminate duplicates Z: 9 13.651 1.865 1.053 0.713 1.000 0.625 CA 1.039 8 residues pruned to eliminate duplicates Z: 6 3.050 1.385 0.332 0.256 1.000 0.600 N 0.978 Z: 6 4.555 1.575 0.632 0.414 1.000 0.800 N 0.868 Z: 9 2.777 1.416 0.555 0.524 0.500 0.250 CA 0.871 4 residues pruned to eliminate duplicates Z: 6 4.018 1.924 0.222 0.355 0.800 0.400 CB 1.118 6 residues pruned to eliminate duplicates Z: 21 23.707 2.001 0.949 0.627 0.900 0.800 CB 1.340 17 residues pruned to eliminate duplicates Z: 6 5.551 1.873 0.934 0.278 0.800 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 15 10.170 1.679 1.046 0.434 0.714 0.571 CB 1.186 15 residues pruned to eliminate duplicates Z: 11 9.043 1.697 0.504 0.528 0.800 0.600 CA 1.362 11 residues pruned to eliminate duplicates Z: 28 25.033 2.034 0.663 0.615 0.926 0.630 CA 1.380 30 residues pruned to eliminate duplicates Z: 6 7.011 1.541 0.948 0.464 1.000 0.800 CA 1.083 Z: 6 2.235 1.422 0.482 0.421 0.800 0.800 CA 0.644 Z: 21 18.386 1.926 0.507 0.572 0.950 0.700 CA 1.391 13 residues pruned to eliminate duplicates Z: 7 8.389 1.946 0.383 0.567 1.000 0.667 CA 1.193 7 residues pruned to eliminate duplicates Z: 18 19.221 2.034 0.778 0.596 0.824 0.647 CA 1.428 19 residues pruned to eliminate duplicates Z: 7 3.899 1.927 0.449 0.401 0.667 0.667 CA 0.949 7 residues pruned to eliminate duplicates Z: 13 14.796 2.021 0.559 0.553 0.917 0.583 CB 1.405 4 residues pruned to eliminate duplicates Z: 6 4.858 1.561 0.807 0.325 0.800 0.600 C 1.167 6 residues pruned to eliminate duplicates Z: 11 13.328 1.880 0.778 0.560 0.800 0.700 C 1.487 11 residues pruned to eliminate duplicates 558 residues left after pruning, divided into chains as follows: A: 6 B: 249 C: 106 D: 98 E: 9 F: 7 G: 38 H: 27 I: 7 J: 11 CC for partial structure against native data = 37.34 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.397, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.460, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.546, Connect. = 0.762 for dens.mod. cycle 3 = 0.300, Contrast = 0.549, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.763 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.765 for dens.mod. cycle 6 = 0.300, Contrast = 0.564, Connect. = 0.766 for dens.mod. cycle 7 = 0.300, Contrast = 0.566, Connect. = 0.767 for dens.mod. cycle 8 = 0.300, Contrast = 0.568, Connect. = 0.768 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4321 peaks > 0.5 sigma used to seed fragment search Space for about 810 unique residues taking solvent into account 824 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 15.674 2.083 0.990 0.481 0.833 0.500 CA 1.335 B: 22 17.143 2.047 0.633 0.447 0.905 0.571 CB 1.307 C: 41 30.663 2.006 0.718 0.544 0.875 0.650 CB 1.541 22 residues pruned to eliminate duplicates D: 24 18.449 2.065 0.587 0.443 0.870 0.652 CB 1.432 24 residues pruned to eliminate duplicates E: 11 7.641 1.921 0.422 0.355 0.700 0.500 CB 1.479 F: 40 20.627 1.998 0.403 0.384 0.923 0.538 CB 1.445 G: 19 12.559 1.879 0.545 0.389 0.944 0.500 CB 1.215 H: 58 36.285 2.085 0.712 0.522 0.912 0.509 CA 1.444 I: 14 11.529 2.075 0.646 0.394 0.769 0.538 CA 1.361 13 residues pruned to eliminate duplicates J: 37 25.902 2.067 0.606 0.468 0.972 0.667 CA 1.382 K: 82 38.899 2.098 0.606 0.440 0.951 0.556 CA 1.437 73 residues pruned to eliminate duplicates L: 54 25.207 2.003 0.542 0.413 0.906 0.566 CB 1.356 44 residues pruned to eliminate duplicates M: 38 27.434 2.047 0.660 0.480 0.973 0.568 CA 1.392 38 residues pruned to eliminate duplicates N: 11 12.724 1.890 0.796 0.526 0.900 0.700 CB 1.283 O: 81 40.984 2.122 0.678 0.469 0.950 0.562 CA 1.398 82 residues pruned to eliminate duplicates P: 20 17.009 1.889 0.640 0.503 0.895 0.737 CB 1.404 20 residues pruned to eliminate duplicates Q: 6 9.673 1.764 0.852 0.615 0.800 0.600 N 1.484 R: 16 16.391 2.072 0.585 0.438 0.867 0.600 CB 1.585 16 residues pruned to eliminate duplicates S: 51 29.602 2.031 0.691 0.459 0.900 0.680 CA 1.412 49 residues pruned to eliminate duplicates T: 9 3.620 1.772 0.479 0.333 0.500 0.250 CA 1.172 U: 43 22.037 2.054 0.486 0.356 0.905 0.429 CA 1.438 22 residues pruned to eliminate duplicates V: 23 19.079 2.097 0.527 0.476 0.818 0.682 CB 1.592 23 residues pruned to eliminate duplicates W: 39 27.675 2.078 0.634 0.488 0.895 0.553 CB 1.496 36 residues pruned to eliminate duplicates X: 89 47.432 2.148 0.779 0.479 0.920 0.614 CA 1.469 89 residues pruned to eliminate duplicates Y: 18 10.999 1.927 0.479 0.382 0.882 0.353 CA 1.203 18 residues pruned to eliminate duplicates Z: 96 42.845 2.065 0.711 0.448 0.905 0.589 CA 1.450 97 residues pruned to eliminate duplicates Z: 20 17.204 2.058 0.727 0.448 0.895 0.421 CB 1.309 20 residues pruned to eliminate duplicates Z: 20 16.127 1.854 0.671 0.582 0.842 0.526 CA 1.311 20 residues pruned to eliminate duplicates Z: 40 33.101 2.047 0.740 0.470 1.000 0.615 CA 1.534 40 residues pruned to eliminate duplicates Z: 42 26.742 2.080 0.629 0.431 0.927 0.634 CA 1.430 42 residues pruned to eliminate duplicates Z: 20 19.597 1.937 0.618 0.549 0.895 0.632 CA 1.528 19 residues pruned to eliminate duplicates Z: 29 24.432 1.909 0.711 0.563 0.964 0.714 CB 1.379 Z: 24 13.450 2.058 0.379 0.405 0.913 0.565 CB 1.197 Z: 34 14.338 1.758 0.536 0.442 0.848 0.485 CB 1.157 34 residues pruned to eliminate duplicates Z: 44 20.532 2.057 0.362 0.368 0.907 0.512 CA 1.419 44 residues pruned to eliminate duplicates Z: 19 21.802 1.953 0.768 0.539 0.944 0.833 CB 1.517 19 residues pruned to eliminate duplicates Z: 30 15.401 1.906 0.420 0.378 0.897 0.586 CB 1.342 30 residues pruned to eliminate duplicates Z: 32 19.104 1.994 0.628 0.528 0.839 0.613 CA 1.225 6 residues pruned to eliminate duplicates Z: 37 27.274 2.120 0.635 0.495 0.889 0.583 CB 1.484 37 residues pruned to eliminate duplicates Z: 25 17.604 2.028 0.707 0.418 0.875 0.500 CB 1.292 Z: 8 6.261 1.858 0.449 0.279 0.857 0.571 CB 1.317 8 residues pruned to eliminate duplicates Z: 47 25.242 1.989 0.577 0.438 0.913 0.565 CB 1.386 47 residues pruned to eliminate duplicates Z: 36 18.751 1.994 0.609 0.401 0.743 0.543 CB 1.476 36 residues pruned to eliminate duplicates Z: 26 28.868 1.995 1.005 0.638 0.880 0.640 CA 1.442 23 residues pruned to eliminate duplicates Z: 34 21.009 2.042 0.519 0.385 0.909 0.394 CB 1.466 34 residues pruned to eliminate duplicates Z: 12 17.592 2.162 0.966 0.475 0.909 0.545 CA 1.408 12 residues pruned to eliminate duplicates Z: 23 10.326 1.834 0.616 0.357 0.727 0.545 CB 1.192 23 residues pruned to eliminate duplicates Z: 22 15.913 2.014 0.502 0.409 0.952 0.476 CB 1.326 22 residues pruned to eliminate duplicates Z: 23 14.924 1.917 0.431 0.412 0.864 0.591 CA 1.473 Z: 105 43.982 2.094 0.723 0.439 0.865 0.519 CA 1.471 74 residues pruned to eliminate duplicates Z: 26 8.631 1.947 0.269 0.286 0.680 0.360 CB 1.308 6 residues pruned to eliminate duplicates Z: 6 7.240 1.834 0.505 0.597 0.800 0.600 CB 1.336 6 residues pruned to eliminate duplicates Z: 9 6.125 1.884 0.366 0.314 0.750 0.250 CB 1.379 7 residues pruned to eliminate duplicates Z: 39 15.065 1.883 0.416 0.342 0.816 0.553 CB 1.335 39 residues pruned to eliminate duplicates Z: 12 14.175 1.905 0.723 0.515 1.000 0.545 CA 1.284 12 residues pruned to eliminate duplicates Z: 28 20.063 1.969 0.705 0.437 0.926 0.630 CA 1.327 28 residues pruned to eliminate duplicates Z: 18 16.286 1.989 0.629 0.481 0.882 0.471 CB 1.408 18 residues pruned to eliminate duplicates Z: 36 21.908 2.059 0.599 0.493 0.914 0.514 CB 1.239 37 residues pruned to eliminate duplicates Z: 21 24.450 2.137 0.738 0.624 0.850 0.800 CB 1.540 21 residues pruned to eliminate duplicates Z: 54 32.909 1.974 0.727 0.544 0.925 0.642 CA 1.374 29 residues pruned to eliminate duplicates Z: 8 8.953 1.820 1.006 0.733 0.857 0.857 CB 0.877 Z: 52 32.572 2.009 0.737 0.472 0.922 0.627 CA 1.459 52 residues pruned to eliminate duplicates Z: 57 35.708 2.008 0.820 0.557 0.929 0.696 CB 1.331 63 residues pruned to eliminate duplicates Z: 12 18.645 2.103 0.807 0.654 0.909 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 32 14.577 1.917 0.409 0.340 0.806 0.516 CB 1.431 24 residues pruned to eliminate duplicates Z: 12 14.400 1.954 0.724 0.457 1.000 0.364 CA 1.346 14 residues pruned to eliminate duplicates Z: 10 2.926 1.580 0.124 0.326 0.778 0.222 CB 0.855 Z: 21 16.367 1.898 0.592 0.517 0.950 0.650 CA 1.254 13 residues pruned to eliminate duplicates Z: 10 14.087 1.854 0.629 0.567 0.889 0.444 CB 1.639 Z: 10 5.627 1.635 1.028 0.352 0.667 0.556 CA 0.996 10 residues pruned to eliminate duplicates Z: 6 6.425 1.858 0.270 0.777 1.000 0.400 CB 0.953 Z: 14 4.392 1.524 1.007 0.193 0.538 0.462 CB 1.067 14 residues pruned to eliminate duplicates Z: 20 16.712 1.893 0.731 0.536 0.947 0.684 CB 1.192 17 residues pruned to eliminate duplicates Z: 39 28.858 2.034 0.776 0.455 0.974 0.579 CA 1.394 39 residues pruned to eliminate duplicates Z: 7 10.007 1.909 0.463 0.599 1.000 0.500 CA 1.331 7 residues pruned to eliminate duplicates Z: 29 25.575 1.985 0.693 0.523 0.929 0.643 CA 1.514 29 residues pruned to eliminate duplicates Z: 17 11.610 1.829 0.524 0.441 0.812 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 7 2.993 1.728 -0.157 0.463 0.833 0.500 CA 1.046 Z: 11 14.079 2.003 0.519 0.533 0.900 0.600 CB 1.575 11 residues pruned to eliminate duplicates Z: 31 17.756 2.047 0.496 0.417 0.867 0.533 CA 1.333 31 residues pruned to eliminate duplicates Z: 7 8.245 1.496 0.929 0.695 0.833 0.667 N 1.172 Z: 28 22.517 1.950 0.657 0.601 0.926 0.593 CA 1.316 29 residues pruned to eliminate duplicates Z: 9 10.392 1.808 0.720 0.526 0.875 0.500 CA 1.316 12 residues pruned to eliminate duplicates Z: 26 20.556 1.909 0.820 0.573 0.880 0.640 CA 1.253 26 residues pruned to eliminate duplicates Z: 30 27.028 2.120 0.817 0.510 0.931 0.621 CA 1.386 30 residues pruned to eliminate duplicates Z: 8 11.292 1.999 0.415 0.491 1.000 0.429 CA 1.523 8 residues pruned to eliminate duplicates Z: 64 29.565 1.963 0.608 0.438 0.889 0.556 CA 1.415 56 residues pruned to eliminate duplicates Z: 13 10.789 1.910 0.555 0.489 0.833 0.417 CA 1.273 Z: 19 15.173 1.947 0.586 0.493 0.889 0.611 CB 1.312 19 residues pruned to eliminate duplicates Z: 44 25.700 1.969 0.571 0.520 0.907 0.535 CA 1.369 46 residues pruned to eliminate duplicates Z: 24 16.642 2.005 0.669 0.395 0.870 0.522 CB 1.333 24 residues pruned to eliminate duplicates Z: 28 16.637 1.960 0.651 0.470 0.815 0.593 CA 1.252 3 residues pruned to eliminate duplicates Z: 15 13.722 1.878 0.554 0.466 0.929 0.357 CB 1.400 15 residues pruned to eliminate duplicates Z: 21 13.262 1.884 0.539 0.417 0.850 0.450 CA 1.312 20 residues pruned to eliminate duplicates 6 1.585 1.399 0.671 0.433 0.600 0.600 CA 0.542 ? Z: 8 5.172 1.672 -0.114 0.758 0.857 0.857 C 1.224 Z: 23 15.028 1.878 0.425 0.523 0.864 0.500 CA 1.355 17 residues pruned to eliminate duplicates Z: 43 28.131 2.081 0.684 0.473 0.881 0.476 CB 1.445 43 residues pruned to eliminate duplicates Z: 19 16.868 2.025 0.868 0.539 0.833 0.611 CB 1.214 19 residues pruned to eliminate duplicates Z: 16 13.947 2.098 0.423 0.539 0.867 0.533 CA 1.340 16 residues pruned to eliminate duplicates Z: 25 22.486 2.054 0.965 0.467 0.875 0.500 CA 1.345 25 residues pruned to eliminate duplicates Z: 25 12.819 1.887 0.705 0.520 0.708 0.542 CB 1.125 25 residues pruned to eliminate duplicates Z: 16 12.231 1.812 0.725 0.488 0.933 0.667 CB 1.095 16 residues pruned to eliminate duplicates Z: 19 18.824 2.019 0.651 0.557 0.944 0.722 CB 1.333 19 residues pruned to eliminate duplicates Z: 45 20.667 2.005 0.692 0.370 0.818 0.500 CB 1.290 45 residues pruned to eliminate duplicates Z: 28 15.485 1.806 0.621 0.498 0.815 0.444 CB 1.252 15 residues pruned to eliminate duplicates Z: 63 39.090 2.135 0.737 0.498 0.935 0.645 CA 1.434 27 residues pruned to eliminate duplicates Z: 10 8.241 2.008 0.356 0.548 0.778 0.556 CA 1.238 10 residues pruned to eliminate duplicates Z: 13 16.072 2.018 0.563 0.621 0.917 0.667 CA 1.431 13 residues pruned to eliminate duplicates Z: 36 25.904 2.058 0.735 0.512 0.943 0.629 CB 1.286 40 residues pruned to eliminate duplicates Z: 17 19.522 2.000 0.803 0.681 0.938 0.750 CB 1.223 17 residues pruned to eliminate duplicates Z: 10 11.249 1.975 0.458 0.535 1.000 0.444 CA 1.258 10 residues pruned to eliminate duplicates Z: 69 40.396 2.120 0.717 0.480 0.941 0.559 CA 1.458 69 residues pruned to eliminate duplicates Z: 101 39.939 1.988 0.659 0.497 0.880 0.610 CB 1.380 107 residues pruned to eliminate duplicates Z: 57 31.885 1.983 0.770 0.516 0.911 0.714 CB 1.311 57 residues pruned to eliminate duplicates Z: 10 8.133 1.832 0.412 0.435 0.889 0.444 CB 1.261 10 residues pruned to eliminate duplicates Z: 36 22.677 2.076 0.549 0.466 0.914 0.571 CB 1.349 36 residues pruned to eliminate duplicates Z: 9 12.269 2.025 1.231 0.519 0.750 0.500 CA 1.256 9 residues pruned to eliminate duplicates Z: 24 10.433 1.942 0.356 0.255 0.826 0.391 CA 1.324 24 residues pruned to eliminate duplicates Z: 65 38.990 2.034 0.883 0.560 0.906 0.703 CB 1.325 65 residues pruned to eliminate duplicates Z: 23 15.969 1.954 0.690 0.317 0.864 0.545 CB 1.460 23 residues pruned to eliminate duplicates Z: 13 11.705 1.764 0.856 0.580 0.917 0.750 CB 1.043 13 residues pruned to eliminate duplicates Z: 7 7.497 1.826 0.384 0.622 1.000 0.833 CB 1.079 7 residues pruned to eliminate duplicates Z: 25 23.656 2.020 0.890 0.503 0.875 0.708 CA 1.441 25 residues pruned to eliminate duplicates Z: 23 10.053 1.962 0.392 0.433 0.909 0.455 CB 0.925 23 residues pruned to eliminate duplicates Z: 26 22.959 2.022 0.951 0.480 0.880 0.600 CB 1.350 26 residues pruned to eliminate duplicates Z: 105 41.789 2.008 0.598 0.494 0.904 0.644 CA 1.421 105 residues pruned to eliminate duplicates Z: 7 4.860 1.743 0.991 0.448 0.500 0.500 CB 1.206 Z: 16 8.857 1.565 0.348 0.496 0.867 0.533 N 1.256 Z: 30 21.160 2.032 0.611 0.423 0.897 0.621 CB 1.451 30 residues pruned to eliminate duplicates Z: 53 27.316 1.974 0.623 0.434 0.942 0.519 CA 1.344 53 residues pruned to eliminate duplicates Z: 11 4.915 1.550 0.369 0.459 0.700 0.600 CA 1.091 Z: 21 13.406 1.935 0.675 0.357 0.850 0.400 CB 1.271 25 residues pruned to eliminate duplicates Z: 19 11.772 1.916 0.638 0.424 0.833 0.444 CB 1.148 19 residues pruned to eliminate duplicates Z: 33 20.240 2.020 0.670 0.448 0.938 0.500 CB 1.193 33 residues pruned to eliminate duplicates Z: 90 42.471 1.983 0.766 0.491 0.933 0.607 CB 1.391 90 residues pruned to eliminate duplicates Z: 47 32.224 1.942 0.806 0.561 0.913 0.609 CB 1.398 47 residues pruned to eliminate duplicates Z: 50 22.192 1.990 0.607 0.422 0.878 0.490 CB 1.224 40 residues pruned to eliminate duplicates Z: 20 17.935 1.830 0.797 0.525 0.842 0.789 CB 1.450 20 residues pruned to eliminate duplicates Z: 85 39.623 1.984 0.638 0.514 0.917 0.643 CA 1.432 85 residues pruned to eliminate duplicates Z: 20 18.897 2.103 0.788 0.535 0.789 0.632 CB 1.411 20 residues pruned to eliminate duplicates Z: 24 23.157 1.951 0.801 0.601 0.913 0.783 CA 1.367 24 residues pruned to eliminate duplicates Z: 32 14.390 1.903 0.770 0.290 0.839 0.323 CB 1.157 32 residues pruned to eliminate duplicates Z: 65 33.509 1.974 0.668 0.469 0.938 0.641 CA 1.400 65 residues pruned to eliminate duplicates Z: 10 13.450 1.951 0.642 0.670 0.889 0.667 CA 1.346 14 residues pruned to eliminate duplicates Z: 28 21.148 2.087 0.533 0.466 0.926 0.556 CB 1.422 28 residues pruned to eliminate duplicates Z: 12 11.353 1.905 0.450 0.395 1.000 0.364 N 1.385 12 residues pruned to eliminate duplicates Z: 43 20.742 2.078 0.370 0.398 0.929 0.548 CA 1.349 43 residues pruned to eliminate duplicates Z: 75 32.819 1.963 0.726 0.437 0.851 0.568 CB 1.411 75 residues pruned to eliminate duplicates Z: 8 5.882 1.812 0.532 0.301 0.714 0.429 CA 1.401 8 residues pruned to eliminate duplicates Z: 7 7.778 1.893 -0.116 0.794 1.000 1.000 C 1.467 Z: 9 10.277 1.911 -0.002 0.816 1.000 0.875 CB 1.448 Z: 7 4.152 1.763 0.362 0.238 0.833 0.500 CA 1.148 7 residues pruned to eliminate duplicates Z: 42 34.611 2.152 0.679 0.519 0.927 0.488 CA 1.584 42 residues pruned to eliminate duplicates Z: 12 11.874 2.025 0.530 0.492 0.909 0.545 CA 1.281 12 residues pruned to eliminate duplicates Z: 12 16.851 1.976 0.830 0.588 0.909 0.727 CA 1.420 12 residues pruned to eliminate duplicates Z: 7 8.061 1.788 1.171 0.526 0.833 0.500 CB 0.991 7 residues pruned to eliminate duplicates Z: 115 49.250 2.054 0.717 0.497 0.904 0.632 CB 1.453 101 residues pruned to eliminate duplicates Z: 64 36.696 2.100 0.741 0.478 0.905 0.556 CA 1.430 64 residues pruned to eliminate duplicates Z: 25 15.766 1.777 0.661 0.459 0.875 0.667 CB 1.299 25 residues pruned to eliminate duplicates Z: 7 4.720 1.589 0.741 0.406 0.833 0.333 CA 0.923 7 residues pruned to eliminate duplicates Z: 12 4.265 1.614 0.313 0.241 0.818 0.545 CB 1.001 12 residues pruned to eliminate duplicates Z: 34 19.325 2.035 0.455 0.394 0.848 0.455 CA 1.498 24 residues pruned to eliminate duplicates Z: 15 13.821 1.975 0.871 0.368 0.857 0.429 CA 1.343 15 residues pruned to eliminate duplicates Z: 13 8.226 1.648 0.282 0.578 0.833 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 75 39.596 2.020 0.665 0.535 0.932 0.676 CB 1.417 75 residues pruned to eliminate duplicates Z: 23 18.333 1.946 0.726 0.507 0.818 0.636 CB 1.412 23 residues pruned to eliminate duplicates Z: 18 10.216 1.840 0.674 0.277 0.824 0.294 CB 1.257 18 residues pruned to eliminate duplicates Z: 23 12.968 1.989 0.521 0.411 0.818 0.636 CB 1.227 23 residues pruned to eliminate duplicates Z: 7 8.843 2.066 0.378 0.561 0.833 0.333 CA 1.435 7 residues pruned to eliminate duplicates Z: 34 20.617 1.900 0.685 0.523 0.879 0.545 CB 1.247 34 residues pruned to eliminate duplicates Z: 13 11.197 1.886 0.475 0.376 0.917 0.417 CA 1.447 9 residues pruned to eliminate duplicates Z: 14 12.582 1.875 0.608 0.493 0.846 0.692 CA 1.377 14 residues pruned to eliminate duplicates Z: 15 11.926 2.033 0.648 0.395 0.857 0.500 CA 1.240 15 residues pruned to eliminate duplicates Z: 36 23.983 2.088 0.597 0.513 0.914 0.571 CB 1.313 36 residues pruned to eliminate duplicates Z: 42 20.629 1.888 0.649 0.491 0.805 0.561 CA 1.297 42 residues pruned to eliminate duplicates Z: 20 12.243 1.893 0.588 0.404 1.000 0.632 CB 1.033 20 residues pruned to eliminate duplicates Z: 15 6.469 1.833 0.373 0.283 0.857 0.357 CB 1.023 15 residues pruned to eliminate duplicates Z: 69 29.692 2.045 0.523 0.415 0.868 0.559 CB 1.457 68 residues pruned to eliminate duplicates Z: 13 16.352 2.117 0.811 0.465 0.917 0.833 CA 1.392 16 residues pruned to eliminate duplicates Z: 10 17.684 2.092 0.591 0.660 1.000 0.778 CA 1.527 10 residues pruned to eliminate duplicates Z: 33 23.327 1.991 0.720 0.382 0.938 0.625 CA 1.457 33 residues pruned to eliminate duplicates Z: 39 26.506 1.950 0.726 0.547 0.947 0.737 CA 1.288 39 residues pruned to eliminate duplicates Z: 13 10.224 1.912 0.556 0.502 0.833 0.667 CA 1.188 13 residues pruned to eliminate duplicates Z: 7 5.164 1.773 -0.232 0.569 1.000 0.333 N 1.448 Z: 63 34.316 1.993 0.697 0.528 0.919 0.661 CB 1.363 63 residues pruned to eliminate duplicates Z: 21 19.700 1.944 0.837 0.498 0.900 0.650 CA 1.373 21 residues pruned to eliminate duplicates Z: 110 46.913 2.117 0.712 0.475 0.890 0.624 CA 1.429 110 residues pruned to eliminate duplicates Z: 10 7.537 1.696 0.086 0.668 0.889 0.778 CB 1.314 Z: 12 9.966 1.712 0.021 0.806 1.000 0.818 CB 1.316 Z: 7 5.967 1.680 0.545 0.520 0.833 0.500 CB 1.104 Z: 6 3.438 1.517 -0.014 0.584 1.000 0.600 N 0.948 Z: 24 16.170 2.039 0.534 0.516 0.913 0.652 CB 1.163 24 residues pruned to eliminate duplicates Z: 8 9.715 1.635 0.723 0.647 0.857 0.714 CA 1.326 8 residues pruned to eliminate duplicates Z: 6 9.090 1.845 0.450 0.808 1.000 0.800 CB 1.162 Z: 42 27.471 1.979 0.745 0.503 0.927 0.683 CA 1.337 42 residues pruned to eliminate duplicates Z: 28 16.604 1.951 0.556 0.418 0.852 0.444 CA 1.346 28 residues pruned to eliminate duplicates Z: 7 4.903 1.725 0.204 0.588 0.833 0.667 CA 1.063 Z: 9 4.786 1.717 -0.166 0.473 1.000 0.625 C 1.214 Z: 60 31.579 1.983 0.784 0.506 0.881 0.644 CB 1.311 60 residues pruned to eliminate duplicates Z: 13 10.911 2.006 0.321 0.524 0.917 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 7 4.708 1.856 -0.186 0.531 1.000 0.500 CA 1.234 7 residues pruned to eliminate duplicates Z: 73 34.482 1.993 0.605 0.496 0.903 0.625 CA 1.413 73 residues pruned to eliminate duplicates Z: 10 7.217 1.671 0.626 0.469 0.778 0.333 CB 1.175 Z: 11 5.689 1.582 -0.093 0.557 0.900 0.400 N 1.317 11 residues pruned to eliminate duplicates Z: 6 6.122 1.851 -0.115 0.744 1.000 0.800 CB 1.343 6 residues pruned to eliminate duplicates Z: 6 4.341 1.827 0.432 0.361 1.000 0.600 CB 0.862 6 residues pruned to eliminate duplicates Z: 8 4.970 1.471 0.808 0.413 0.857 0.429 N 0.903 Z: 24 14.711 1.861 0.496 0.461 0.870 0.609 CA 1.319 24 residues pruned to eliminate duplicates Z: 41 25.563 1.971 0.658 0.568 0.875 0.700 CA 1.323 41 residues pruned to eliminate duplicates Z: 29 20.537 2.010 0.547 0.515 1.000 0.643 CB 1.230 29 residues pruned to eliminate duplicates Z: 6 2.755 1.479 -0.033 0.469 0.800 0.800 C 1.112 5 residues pruned to eliminate duplicates 8 1.948 1.502 -0.145 0.284 0.857 0.286 CB 0.853 ? Z: 15 12.405 1.863 0.524 0.488 0.929 0.571 CA 1.273 15 residues pruned to eliminate duplicates Z: 8 5.878 1.852 0.578 0.402 0.714 0.429 CA 1.180 8 residues pruned to eliminate duplicates Z: 14 5.492 1.745 0.330 0.358 0.769 0.538 CA 0.995 14 residues pruned to eliminate duplicates Z: 34 20.030 1.951 0.743 0.512 0.848 0.606 CB 1.195 34 residues pruned to eliminate duplicates Z: 68 35.821 2.089 0.614 0.438 0.940 0.567 CA 1.472 77 residues pruned to eliminate duplicates Z: 22 10.906 1.954 0.398 0.345 0.905 0.524 CB 1.140 22 residues pruned to eliminate duplicates Z: 12 15.597 1.846 1.087 0.659 0.909 0.818 CA 1.159 12 residues pruned to eliminate duplicates Z: 11 7.628 1.721 0.296 0.574 1.000 0.500 CA 1.007 7 residues pruned to eliminate duplicates Z: 8 11.358 1.724 1.011 0.832 1.000 1.000 CB 0.929 8 residues pruned to eliminate duplicates Z: 11 8.631 1.662 0.521 0.527 0.900 0.700 N 1.167 Z: 80 41.390 2.124 0.663 0.493 0.924 0.608 CA 1.437 80 residues pruned to eliminate duplicates Z: 8 13.211 1.915 0.647 0.689 1.000 0.714 CA 1.332 8 residues pruned to eliminate duplicates Z: 60 32.066 2.120 0.618 0.456 0.881 0.576 CA 1.444 60 residues pruned to eliminate duplicates Z: 21 13.655 1.902 0.488 0.497 0.800 0.500 CA 1.352 83 residues pruned to eliminate duplicates Z: 31 17.527 2.064 0.609 0.380 0.800 0.567 CB 1.369 31 residues pruned to eliminate duplicates Z: 91 40.441 2.009 0.704 0.472 0.900 0.611 CA 1.424 91 residues pruned to eliminate duplicates Z: 17 17.156 2.093 0.508 0.510 0.938 0.500 CA 1.436 17 residues pruned to eliminate duplicates Z: 21 20.046 2.000 0.762 0.581 0.900 0.650 CA 1.308 Z: 19 16.840 2.033 0.328 0.597 1.000 0.778 CA 1.340 Z: 10 10.269 1.933 0.986 0.362 0.889 0.556 CA 1.163 6 residues pruned to eliminate duplicates Z: 10 9.483 1.829 -0.003 0.752 1.000 0.778 CB 1.386 10 residues pruned to eliminate duplicates Z: 13 7.065 1.777 0.264 0.433 0.750 0.417 CB 1.297 13 residues pruned to eliminate duplicates Z: 13 10.123 1.784 0.341 0.666 0.833 0.750 CB 1.257 9 residues pruned to eliminate duplicates Z: 20 8.263 1.950 0.446 0.430 0.789 0.632 CB 0.916 20 residues pruned to eliminate duplicates Z: 17 11.071 1.965 0.482 0.328 0.875 0.438 CA 1.313 17 residues pruned to eliminate duplicates Z: 30 19.762 2.044 0.554 0.468 0.897 0.517 CB 1.331 30 residues pruned to eliminate duplicates Z: 54 29.267 1.973 0.706 0.453 0.943 0.566 CA 1.329 54 residues pruned to eliminate duplicates Z: 8 12.764 1.984 0.669 0.518 1.000 0.714 CA 1.431 8 residues pruned to eliminate duplicates Z: 37 21.582 1.934 0.697 0.373 0.889 0.472 CA 1.412 37 residues pruned to eliminate duplicates Z: 6 6.965 1.828 -0.115 0.860 1.000 0.800 C 1.416 6 residues pruned to eliminate duplicates Z: 12 13.862 1.873 0.753 0.612 1.000 0.909 CA 1.144 12 residues pruned to eliminate duplicates Z: 6 5.861 1.323 0.535 0.804 1.000 0.600 N 0.990 Z: 20 10.762 1.861 0.579 0.470 0.842 0.632 CB 1.028 20 residues pruned to eliminate duplicates Z: 73 41.300 2.130 0.708 0.499 0.931 0.639 CA 1.439 73 residues pruned to eliminate duplicates Z: 6 2.799 1.500 0.390 0.296 0.800 0.400 CB 0.943 Z: 7 2.309 1.539 0.382 0.261 0.667 0.333 CB 0.874 Z: 34 24.820 2.055 0.683 0.498 0.909 0.455 CB 1.377 34 residues pruned to eliminate duplicates Z: 7 7.040 1.706 0.777 0.647 0.833 0.667 CB 0.992 Z: 7 5.091 1.570 0.048 0.733 1.000 0.667 CB 1.025 7 residues pruned to eliminate duplicates Z: 28 21.522 2.045 0.652 0.475 0.889 0.630 CB 1.415 28 residues pruned to eliminate duplicates Z: 21 11.618 1.834 0.616 0.486 0.900 0.650 CB 0.988 5 residues pruned to eliminate duplicates 8 1.352 1.568 0.864 0.209 0.429 0.286 CB 0.575 ? Z: 7 7.125 1.806 0.700 0.603 1.000 0.500 CB 0.860 Z: 7 10.204 2.037 0.912 0.641 0.833 0.667 CA 1.125 7 residues pruned to eliminate duplicates Z: 15 15.760 1.777 0.661 0.610 1.000 0.714 CA 1.285 10 residues pruned to eliminate duplicates Z: 8 9.349 1.890 0.014 0.858 1.000 1.000 C 1.357 8 residues pruned to eliminate duplicates Z: 20 17.620 1.887 0.722 0.600 0.895 0.737 CA 1.265 20 residues pruned to eliminate duplicates Z: 9 14.699 2.097 0.705 0.634 0.875 0.625 CA 1.465 9 residues pruned to eliminate duplicates Z: 8 5.204 1.641 -0.156 0.739 1.000 0.571 CB 1.147 Z: 78 43.589 2.088 0.815 0.459 0.909 0.532 CA 1.503 78 residues pruned to eliminate duplicates Z: 55 30.924 1.969 0.659 0.523 0.944 0.704 CA 1.333 55 residues pruned to eliminate duplicates Z: 9 10.835 1.879 0.452 0.608 1.000 0.625 CA 1.267 11 residues pruned to eliminate duplicates Z: 6 2.118 1.373 -0.022 0.655 0.800 0.800 CB 0.763 Z: 25 17.206 1.894 0.505 0.561 0.875 0.667 CB 1.327 26 residues pruned to eliminate duplicates Z: 11 9.973 1.753 0.596 0.388 1.000 0.700 CB 1.270 Z: 13 14.013 2.094 0.680 0.591 0.917 0.583 CB 1.150 13 residues pruned to eliminate duplicates 6 1.842 1.540 -0.071 0.285 0.600 0.400 CB 1.221 ? Z: 18 14.299 1.875 0.586 0.546 0.882 0.588 CA 1.263 18 residues pruned to eliminate duplicates Z: 90 40.976 2.088 0.624 0.456 0.933 0.596 CA 1.437 90 residues pruned to eliminate duplicates Z: 6 9.245 1.520 0.809 0.769 1.000 0.800 O 1.185 Z: 13 13.261 1.913 0.811 0.628 0.917 0.750 CB 1.069 13 residues pruned to eliminate duplicates Z: 15 10.916 1.869 0.408 0.525 0.857 0.643 CB 1.262 12 residues pruned to eliminate duplicates Z: 9 5.285 1.676 0.119 0.625 1.000 0.500 CB 0.886 8 residues pruned to eliminate duplicates Z: 6 2.108 1.054 0.445 0.292 1.000 0.800 C 0.781 Z: 8 4.447 1.623 -0.203 0.623 1.000 0.571 CB 1.157 6 1.437 1.433 0.062 0.308 0.600 0.400 CA 0.870 ? Z: 31 17.997 1.953 0.500 0.407 0.900 0.567 CB 1.375 31 residues pruned to eliminate duplicates Z: 7 7.768 1.799 -0.079 0.747 1.000 0.833 CB 1.535 7 residues pruned to eliminate duplicates Z: 10 4.562 1.679 0.424 0.496 1.000 0.444 CB 0.639 10 residues pruned to eliminate duplicates Z: 8 8.981 1.895 0.726 0.559 0.857 0.857 CB 1.143 8 residues pruned to eliminate duplicates Z: 7 6.134 1.788 0.013 0.580 1.000 0.500 C 1.280 Z: 8 3.858 1.870 0.212 0.686 0.714 0.714 CB 0.759 8 residues pruned to eliminate duplicates Z: 54 29.519 1.995 0.680 0.447 0.906 0.566 CA 1.411 54 residues pruned to eliminate duplicates Z: 51 27.321 1.960 0.643 0.452 0.900 0.680 CA 1.400 51 residues pruned to eliminate duplicates Z: 18 5.585 1.577 0.506 0.313 0.765 0.353 CB 0.918 Z: 7 15.692 2.003 0.606 0.820 1.000 1.000 CA 1.508 7 residues pruned to eliminate duplicates Z: 18 20.390 2.034 0.822 0.596 0.941 0.647 CA 1.293 18 residues pruned to eliminate duplicates Z: 7 4.959 1.515 -0.040 0.675 1.000 0.833 CB 1.185 8 residues pruned to eliminate duplicates Z: 14 17.349 2.058 0.825 0.434 0.846 0.615 CA 1.621 14 residues pruned to eliminate duplicates Z: 14 10.814 2.063 0.318 0.394 0.846 0.308 CA 1.458 14 residues pruned to eliminate duplicates Z: 46 29.607 2.066 0.728 0.489 0.911 0.578 CB 1.372 46 residues pruned to eliminate duplicates Z: 26 24.668 1.971 0.758 0.555 0.960 0.840 CA 1.406 26 residues pruned to eliminate duplicates Z: 32 21.960 2.013 0.541 0.440 0.968 0.613 CA 1.398 30 residues pruned to eliminate duplicates 6 1.662 1.476 -0.172 0.327 0.600 0.400 CA 1.226 ? Z: 65 38.781 2.058 0.804 0.508 0.906 0.547 CA 1.429 65 residues pruned to eliminate duplicates Z: 10 7.999 1.653 0.536 0.549 0.889 0.556 CB 1.127 Z: 15 11.532 1.865 0.541 0.487 0.786 0.571 CA 1.383 15 residues pruned to eliminate duplicates Z: 12 3.909 1.599 0.332 0.379 0.545 0.364 CB 1.155 7 residues pruned to eliminate duplicates Z: 18 7.689 1.691 0.312 0.350 0.882 0.471 CB 1.121 Z: 9 5.566 1.861 0.822 0.555 0.625 0.625 CA 0.881 9 residues pruned to eliminate duplicates Z: 8 5.041 1.520 0.403 0.379 0.857 0.286 CA 1.186 8 residues pruned to eliminate duplicates Z: 12 3.733 1.647 0.214 0.296 0.727 0.455 CB 0.972 Z: 21 15.107 1.886 0.503 0.529 0.950 0.600 CB 1.220 21 residues pruned to eliminate duplicates Z: 21 21.841 2.117 0.595 0.562 0.850 0.650 CB 1.602 21 residues pruned to eliminate duplicates Z: 10 3.657 1.462 0.126 0.372 0.778 0.333 CA 1.092 Z: 93 43.718 2.089 0.690 0.459 0.924 0.587 CA 1.456 111 residues pruned to eliminate duplicates Z: 18 19.290 2.067 0.653 0.503 0.941 0.529 CA 1.451 18 residues pruned to eliminate duplicates Z: 8 7.975 1.558 0.634 0.652 0.857 0.714 CB 1.199 Z: 46 22.087 1.982 0.486 0.380 0.889 0.600 CA 1.429 46 residues pruned to eliminate duplicates Z: 36 23.973 2.089 0.724 0.525 0.914 0.514 CB 1.202 36 residues pruned to eliminate duplicates Z: 47 31.332 2.060 0.804 0.523 0.891 0.543 CB 1.363 47 residues pruned to eliminate duplicates Z: 12 10.091 1.656 0.273 0.768 0.818 0.727 O 1.391 12 residues pruned to eliminate duplicates Z: 11 15.476 1.974 0.499 0.622 0.900 0.600 CB 1.639 14 residues pruned to eliminate duplicates Z: 13 10.455 1.938 0.565 0.464 0.833 0.667 CA 1.239 13 residues pruned to eliminate duplicates Z: 58 34.985 1.981 0.734 0.538 0.965 0.702 CB 1.347 58 residues pruned to eliminate duplicates Z: 25 18.502 1.998 0.617 0.504 0.833 0.583 CB 1.397 25 residues pruned to eliminate duplicates Z: 35 18.296 1.870 0.749 0.429 0.853 0.588 CB 1.211 35 residues pruned to eliminate duplicates Z: 43 18.961 1.897 0.422 0.433 0.857 0.667 CA 1.356 49 residues pruned to eliminate duplicates Z: 124 45.812 2.083 0.581 0.468 0.911 0.537 CA 1.423 124 residues pruned to eliminate duplicates Z: 30 17.925 1.969 0.600 0.437 0.862 0.483 CA 1.308 30 residues pruned to eliminate duplicates Z: 39 21.293 1.978 0.549 0.429 0.921 0.447 CB 1.318 39 residues pruned to eliminate duplicates Z: 10 7.794 1.812 0.080 0.549 0.889 0.556 CB 1.424 10 residues pruned to eliminate duplicates Z: 9 7.931 1.774 0.632 0.538 0.750 0.375 CA 1.243 9 residues pruned to eliminate duplicates Z: 13 8.079 1.672 0.526 0.358 1.000 0.583 CB 1.065 11 residues pruned to eliminate duplicates Z: 7 5.913 1.680 0.366 0.708 0.833 0.833 CB 1.045 7 residues pruned to eliminate duplicates Z: 15 26.727 2.034 0.800 0.748 1.000 0.857 N 1.564 15 residues pruned to eliminate duplicates Z: 6 2.598 1.336 0.155 0.532 1.000 0.600 CB 0.730 Z: 9 6.904 1.795 0.327 0.433 0.750 0.625 CA 1.464 9 residues pruned to eliminate duplicates Z: 7 5.927 1.685 0.421 0.634 0.833 0.667 CB 1.070 9 residues pruned to eliminate duplicates Z: 6 3.761 1.735 0.179 0.543 0.800 0.600 CB 0.986 Z: 28 17.949 1.987 0.650 0.426 0.852 0.667 CA 1.336 28 residues pruned to eliminate duplicates Z: 24 17.729 1.882 0.797 0.506 0.783 0.565 CA 1.389 24 residues pruned to eliminate duplicates Z: 10 7.158 1.764 -0.135 0.688 1.000 0.778 CB 1.315 7 residues pruned to eliminate duplicates Z: 8 2.752 1.529 -0.184 0.607 0.857 0.714 CB 0.878 Z: 9 2.687 1.454 0.040 0.455 0.750 0.500 CB 0.877 6 residues pruned to eliminate duplicates Z: 6 3.194 1.551 0.767 0.357 0.600 0.400 CA 1.014 Z: 6 3.181 1.545 0.575 0.370 0.600 0.400 N 1.119 Z: 7 13.446 1.999 0.519 0.742 1.000 0.833 CB 1.456 Z: 6 5.605 1.826 -0.108 0.839 1.000 0.600 CB 1.150 6 residues pruned to eliminate duplicates Z: 32 16.203 1.806 0.398 0.469 0.935 0.645 CB 1.272 32 residues pruned to eliminate duplicates Z: 27 13.561 1.888 0.746 0.390 0.769 0.538 CA 1.178 27 residues pruned to eliminate duplicates Z: 6 3.767 1.363 0.298 0.571 1.000 0.600 CB 0.889 Z: 14 5.558 1.573 0.351 0.335 0.769 0.308 CB 1.128 14 residues pruned to eliminate duplicates Z: 29 22.113 2.087 0.768 0.363 0.929 0.500 CA 1.413 35 residues pruned to eliminate duplicates Z: 95 37.652 2.000 0.636 0.435 0.894 0.691 CB 1.420 95 residues pruned to eliminate duplicates Z: 33 19.545 1.903 0.531 0.467 0.875 0.500 CB 1.402 33 residues pruned to eliminate duplicates Z: 8 9.811 1.863 -0.016 0.767 1.000 0.429 C 1.597 Z: 9 4.728 1.517 -0.106 0.619 1.000 0.375 C 1.101 Z: 96 38.234 2.002 0.653 0.455 0.916 0.600 CB 1.355 96 residues pruned to eliminate duplicates Z: 6 3.561 1.796 0.042 0.579 0.800 0.800 CB 0.986 Z: 79 40.742 2.128 0.735 0.480 0.885 0.513 CA 1.441 85 residues pruned to eliminate duplicates Z: 21 14.831 1.822 0.867 0.532 0.800 0.500 CB 1.182 21 residues pruned to eliminate duplicates Z: 98 38.486 2.023 0.665 0.446 0.876 0.577 CB 1.399 98 residues pruned to eliminate duplicates Z: 6 2.804 1.472 0.424 0.499 0.800 0.800 CB 0.749 Z: 7 6.657 1.854 1.078 0.477 0.833 0.500 CB 0.867 7 residues pruned to eliminate duplicates Z: 7 4.789 1.499 0.303 0.813 0.833 0.500 CB 0.915 Z: 11 13.014 1.742 0.834 0.619 0.800 0.600 CA 1.439 11 residues pruned to eliminate duplicates Z: 6 4.838 1.891 -0.116 0.551 0.800 0.600 C 1.540 Z: 6 3.270 1.471 -0.214 0.522 1.000 0.600 C 1.237 Z: 20 11.744 1.995 0.309 0.417 0.895 0.368 CA 1.258 20 residues pruned to eliminate duplicates Z: 6 4.418 1.701 -0.212 0.749 1.000 0.800 CB 1.180 Z: 7 3.469 1.705 0.031 0.530 1.000 0.500 CB 0.782 Z: 6 6.952 1.765 0.240 0.609 1.000 0.400 N 1.280 6 residues pruned to eliminate duplicates Z: 7 4.792 1.763 0.222 0.442 0.833 0.500 CA 1.157 7 residues pruned to eliminate duplicates Z: 26 21.427 1.980 0.457 0.568 0.960 0.560 CA 1.449 26 residues pruned to eliminate duplicates Z: 6 6.492 1.644 0.965 0.615 0.600 0.600 CB 1.343 Z: 18 9.878 1.532 0.708 0.358 0.941 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 81 38.251 2.038 0.664 0.453 0.900 0.562 CA 1.471 81 residues pruned to eliminate duplicates Z: 88 38.695 2.023 0.752 0.440 0.874 0.621 CB 1.425 88 residues pruned to eliminate duplicates Z: 6 3.325 1.553 -0.077 0.705 1.000 0.800 CB 0.860 6 residues pruned to eliminate duplicates Z: 16 5.790 1.860 -0.098 0.371 0.867 0.267 CB 1.181 23 residues pruned to eliminate duplicates Z: 13 10.369 1.781 0.249 0.496 0.917 0.750 CA 1.474 13 residues pruned to eliminate duplicates Z: 61 32.596 1.984 0.762 0.503 0.917 0.617 CB 1.310 61 residues pruned to eliminate duplicates Z: 7 3.916 1.555 0.234 0.367 0.833 0.500 O 1.153 7 residues pruned to eliminate duplicates Z: 26 24.017 1.935 1.015 0.595 0.880 0.600 CA 1.278 26 residues pruned to eliminate duplicates 6 1.170 1.637 -0.282 0.562 0.800 0.400 CB 0.524 ? Z: 105 43.165 2.053 0.629 0.462 0.923 0.567 CA 1.425 105 residues pruned to eliminate duplicates Z: 8 3.995 1.858 0.009 0.401 0.714 0.571 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 6.131 1.741 0.605 0.488 0.800 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 8 6.858 1.750 0.530 0.365 1.000 0.429 CB 1.118 7 residues pruned to eliminate duplicates Z: 41 22.209 1.883 0.750 0.474 0.875 0.550 CA 1.250 41 residues pruned to eliminate duplicates Z: 7 5.763 1.805 0.607 0.396 0.833 0.333 CB 1.086 7 residues pruned to eliminate duplicates Z: 46 28.157 1.987 0.697 0.488 0.933 0.556 CB 1.350 46 residues pruned to eliminate duplicates Z: 8 9.611 1.902 -0.006 0.869 1.000 1.000 C 1.404 8 residues pruned to eliminate duplicates Z: 17 8.459 1.858 0.411 0.392 0.750 0.500 CB 1.205 17 residues pruned to eliminate duplicates Z: 24 19.741 1.993 0.614 0.470 0.913 0.565 CA 1.446 24 residues pruned to eliminate duplicates Z: 11 6.921 1.677 0.479 0.542 0.900 0.500 CA 0.941 11 residues pruned to eliminate duplicates Z: 11 8.612 1.861 0.524 0.701 0.900 0.600 CA 0.888 11 residues pruned to eliminate duplicates Z: 13 11.322 1.818 0.419 0.585 0.833 0.583 CA 1.401 12 residues pruned to eliminate duplicates Z: 6 4.060 1.432 0.863 0.381 0.800 0.800 CA 0.966 Z: 8 6.016 1.760 0.142 0.505 0.857 0.429 CB 1.313 8 residues pruned to eliminate duplicates Z: 10 20.237 2.107 0.947 0.690 1.000 0.778 CB 1.381 10 residues pruned to eliminate duplicates Z: 10 4.358 1.633 0.389 0.272 1.000 0.444 CB 0.829 10 residues pruned to eliminate duplicates Z: 15 8.766 1.712 0.308 0.404 0.857 0.429 CB 1.350 15 residues pruned to eliminate duplicates Z: 28 20.279 1.886 0.720 0.581 0.889 0.741 CA 1.252 28 residues pruned to eliminate duplicates Z: 11 5.176 1.396 0.403 0.572 1.000 0.700 CB 0.779 Z: 42 25.375 1.939 0.777 0.511 0.878 0.683 CA 1.296 42 residues pruned to eliminate duplicates Z: 6 6.277 1.586 0.827 0.533 1.000 0.800 CB 0.938 6 residues pruned to eliminate duplicates Z: 11 5.480 1.666 0.589 0.455 0.800 0.300 CA 0.857 11 residues pruned to eliminate duplicates Z: 6 5.804 1.757 0.990 0.573 1.000 1.000 N 0.692 Z: 7 5.104 1.613 0.555 0.603 0.833 0.833 CB 0.904 6 residues pruned to eliminate duplicates Z: 27 28.541 2.006 0.896 0.688 0.923 0.731 CA 1.342 27 residues pruned to eliminate duplicates Z: 12 10.983 1.896 0.452 0.507 0.909 0.545 CA 1.314 12 residues pruned to eliminate duplicates Z: 7 3.758 1.712 -0.096 0.617 1.000 0.667 CB 0.887 Z: 29 22.920 1.947 0.707 0.535 0.929 0.500 CA 1.356 29 residues pruned to eliminate duplicates Z: 58 33.158 2.012 0.781 0.513 0.895 0.649 CB 1.352 58 residues pruned to eliminate duplicates Z: 8 10.562 1.764 1.071 0.598 1.000 0.571 CA 0.996 8 residues pruned to eliminate duplicates Z: 11 7.491 1.677 0.755 0.296 0.800 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 18 15.262 1.844 0.574 0.498 0.882 0.588 CB 1.447 18 residues pruned to eliminate duplicates Z: 45 23.493 1.984 0.735 0.396 0.841 0.545 CA 1.366 50 residues pruned to eliminate duplicates Z: 6 3.014 1.520 0.269 0.596 0.600 0.400 CB 1.063 Z: 14 10.973 1.879 0.548 0.604 0.769 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 39 22.453 1.968 0.434 0.453 0.921 0.553 CB 1.471 39 residues pruned to eliminate duplicates Z: 14 3.357 1.339 0.513 0.319 0.769 0.462 CB 0.730 Z: 12 13.989 1.957 0.827 0.573 0.818 0.636 CA 1.344 12 residues pruned to eliminate duplicates Z: 12 6.461 1.550 0.025 0.612 0.909 0.727 CB 1.213 9 residues pruned to eliminate duplicates Z: 18 15.398 1.819 0.567 0.635 0.941 0.765 CB 1.226 18 residues pruned to eliminate duplicates Z: 12 15.077 1.763 0.757 0.599 1.000 0.909 CA 1.336 12 residues pruned to eliminate duplicates Z: 9 2.997 1.533 0.261 0.380 0.750 0.500 CB 0.830 9 residues pruned to eliminate duplicates Z: 14 19.429 2.066 0.771 0.513 0.923 0.692 CA 1.576 13 residues pruned to eliminate duplicates Z: 7 12.200 2.000 0.733 0.667 1.000 0.667 CB 1.231 7 residues pruned to eliminate duplicates Z: 17 8.579 1.556 0.293 0.438 0.875 0.188 CB 1.298 17 residues pruned to eliminate duplicates Z: 20 16.011 1.884 0.637 0.556 0.842 0.579 CB 1.339 20 residues pruned to eliminate duplicates Z: 17 5.803 1.450 0.254 0.341 0.812 0.562 CA 1.168 17 residues pruned to eliminate duplicates Z: 6 12.306 1.886 0.887 0.786 1.000 1.000 CB 1.202 6 residues pruned to eliminate duplicates Z: 6 2.609 1.363 0.513 0.386 0.800 0.600 CB 0.798 Z: 13 20.881 1.981 0.653 0.707 1.000 0.750 CA 1.526 13 residues pruned to eliminate duplicates Z: 88 36.423 1.984 0.679 0.494 0.897 0.598 CB 1.315 88 residues pruned to eliminate duplicates Z: 60 30.972 1.983 0.627 0.532 0.898 0.661 CB 1.347 60 residues pruned to eliminate duplicates 6 1.983 1.316 0.380 0.418 0.800 0.600 N 0.665 ? Z: 9 7.372 1.715 -0.151 0.782 1.000 0.625 C 1.397 Z: 6 4.835 1.679 -0.290 0.872 1.000 1.000 C 1.322 7 residues pruned to eliminate duplicates Z: 6 3.518 1.695 0.061 0.658 0.800 0.800 CB 0.944 Z: 17 10.554 1.944 0.398 0.383 0.750 0.375 CB 1.466 17 residues pruned to eliminate duplicates Z: 6 5.703 1.558 0.479 0.745 1.000 1.000 CA 0.889 6 residues pruned to eliminate duplicates Z: 26 16.157 1.888 0.473 0.496 0.880 0.720 CB 1.325 26 residues pruned to eliminate duplicates Z: 16 9.638 1.922 0.572 0.427 0.733 0.533 CB 1.212 16 residues pruned to eliminate duplicates Z: 13 7.586 1.595 1.120 0.337 0.833 0.417 CB 0.929 Z: 6 2.324 1.320 0.236 0.772 0.800 0.400 CA 0.626 4 residues pruned to eliminate duplicates Z: 17 16.856 1.913 0.698 0.636 0.875 0.625 CA 1.305 17 residues pruned to eliminate duplicates Z: 18 19.376 2.107 0.537 0.613 0.941 0.765 CB 1.386 18 residues pruned to eliminate duplicates Z: 9 10.810 1.766 0.677 0.531 1.000 0.750 CB 1.251 8 residues pruned to eliminate duplicates Z: 6 4.400 1.637 0.456 0.484 0.600 0.600 CA 1.398 6 residues pruned to eliminate duplicates Z: 8 3.700 1.661 0.098 0.575 0.857 0.571 CB 0.832 Z: 10 6.178 1.766 0.280 0.410 0.778 0.444 CA 1.287 10 residues pruned to eliminate duplicates Z: 7 4.383 1.139 0.645 0.618 1.000 0.500 CA 0.854 7 residues pruned to eliminate duplicates Z: 16 4.866 1.518 0.420 0.261 0.867 0.333 CA 0.884 16 residues pruned to eliminate duplicates Z: 52 25.636 1.901 0.624 0.469 0.863 0.647 CA 1.392 52 residues pruned to eliminate duplicates Z: 12 3.492 1.600 -0.019 0.239 0.727 0.364 O 1.247 6 residues pruned to eliminate duplicates Z: 21 17.224 2.050 0.537 0.412 0.900 0.600 CA 1.490 21 residues pruned to eliminate duplicates Z: 15 19.267 1.943 0.579 0.594 0.929 0.500 CA 1.652 15 residues pruned to eliminate duplicates Z: 26 14.285 1.837 0.609 0.347 0.840 0.400 CB 1.359 26 residues pruned to eliminate duplicates Z: 13 3.427 1.403 0.051 0.425 0.833 0.500 CB 0.870 Z: 68 32.986 2.087 0.635 0.466 0.881 0.582 CA 1.388 68 residues pruned to eliminate duplicates Z: 11 3.632 1.566 0.101 0.194 0.800 0.400 O 1.200 11 residues pruned to eliminate duplicates Z: 15 8.084 1.887 0.616 0.463 0.714 0.571 CB 1.030 15 residues pruned to eliminate duplicates Z: 15 9.702 1.903 0.561 0.447 0.786 0.643 CB 1.172 15 residues pruned to eliminate duplicates Z: 7 6.129 1.754 0.462 0.693 0.833 0.833 CA 0.981 7 residues pruned to eliminate duplicates Z: 9 6.050 1.737 -0.268 0.891 1.000 1.000 C 1.210 9 residues pruned to eliminate duplicates Z: 10 5.795 1.790 0.502 0.321 0.667 0.444 N 1.312 10 residues pruned to eliminate duplicates Z: 7 13.180 1.946 0.555 0.639 1.000 0.667 CA 1.561 Z: 17 5.330 1.535 0.195 0.291 0.812 0.562 CB 1.130 17 residues pruned to eliminate duplicates Z: 8 2.485 1.563 0.145 0.342 0.714 0.429 CB 0.873 Z: 21 10.063 1.816 0.447 0.351 0.800 0.450 CB 1.257 21 residues pruned to eliminate duplicates Z: 10 7.428 1.745 0.416 0.316 0.889 0.556 CA 1.381 10 residues pruned to eliminate duplicates Z: 53 26.609 2.039 0.533 0.427 0.904 0.577 CA 1.409 53 residues pruned to eliminate duplicates 6 0.748 1.291 -0.151 0.638 0.800 0.800 CB 0.335 ? Z: 20 16.580 1.933 0.487 0.516 0.895 0.684 CB 1.456 20 residues pruned to eliminate duplicates Z: 6 2.726 1.393 0.763 0.159 0.800 0.400 N 0.941 Z: 29 22.700 1.956 0.698 0.482 0.964 0.786 CA 1.364 29 residues pruned to eliminate duplicates Z: 25 12.926 1.840 0.603 0.388 0.875 0.500 CB 1.150 25 residues pruned to eliminate duplicates Z: 6 3.610 1.568 -0.176 0.709 0.800 0.800 C 1.292 6 residues pruned to eliminate duplicates Z: 39 23.468 1.883 0.818 0.525 0.921 0.605 CB 1.178 45 residues pruned to eliminate duplicates Z: 25 14.300 1.872 0.589 0.382 0.833 0.625 CA 1.335 25 residues pruned to eliminate duplicates Z: 9 8.876 1.577 0.798 0.551 0.875 0.500 CB 1.203 17 residues pruned to eliminate duplicates Z: 9 3.309 1.395 0.282 0.452 0.750 0.500 CB 0.916 9 residues pruned to eliminate duplicates Z: 87 41.658 2.091 0.662 0.486 0.919 0.581 CA 1.428 87 residues pruned to eliminate duplicates Z: 15 16.123 1.953 0.637 0.639 1.000 0.500 CB 1.184 15 residues pruned to eliminate duplicates Z: 7 5.979 1.514 0.553 0.530 0.833 0.833 N 1.209 7 residues pruned to eliminate duplicates Z: 27 14.473 1.758 0.515 0.528 0.923 0.692 CB 1.123 27 residues pruned to eliminate duplicates Z: 6 2.909 1.643 0.012 0.608 0.800 0.800 CB 0.882 6 residues pruned to eliminate duplicates Z: 11 6.025 1.692 -0.076 0.733 0.900 0.700 CB 1.098 11 residues pruned to eliminate duplicates Z: 34 23.840 1.942 0.666 0.482 0.939 0.667 CB 1.391 34 residues pruned to eliminate duplicates Z: 30 18.468 1.889 0.925 0.484 0.793 0.483 CB 1.208 30 residues pruned to eliminate duplicates Z: 13 6.098 1.512 0.382 0.350 0.833 0.583 CA 1.189 13 residues pruned to eliminate duplicates Z: 13 14.560 1.989 0.524 0.546 0.917 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 6 3.899 1.588 0.155 0.819 1.000 1.000 CB 0.721 Z: 54 34.492 2.000 0.776 0.537 0.943 0.698 CA 1.362 54 residues pruned to eliminate duplicates Z: 12 7.962 1.612 0.716 0.487 0.818 0.636 N 1.075 12 residues pruned to eliminate duplicates 8 1.891 1.500 -0.121 0.437 0.714 0.571 CB 0.811 ? Z: 9 7.687 1.699 0.414 0.383 1.000 0.500 CB 1.282 9 residues pruned to eliminate duplicates Z: 8 5.954 1.595 0.629 0.401 0.857 0.429 C 1.122 6 residues pruned to eliminate duplicates Z: 60 33.055 2.062 0.651 0.432 0.949 0.593 CA 1.429 60 residues pruned to eliminate duplicates Z: 9 8.031 1.504 0.479 0.851 0.875 0.750 CA 1.080 9 residues pruned to eliminate duplicates Z: 16 8.374 1.649 0.143 0.507 0.867 0.533 O 1.314 13 residues pruned to eliminate duplicates Z: 48 30.330 2.030 0.655 0.495 0.957 0.745 CA 1.382 48 residues pruned to eliminate duplicates 6 1.657 1.313 0.392 0.352 0.600 0.400 N 0.793 ? Z: 13 7.586 1.759 0.459 0.428 0.833 0.333 CA 1.103 13 residues pruned to eliminate duplicates Z: 17 17.202 1.896 0.917 0.493 0.812 0.688 CB 1.466 17 residues pruned to eliminate duplicates Z: 6 4.078 1.770 -0.121 0.631 0.800 0.400 O 1.295 Z: 6 5.020 1.727 0.103 0.432 1.000 0.600 CB 1.265 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 5.717 1.417 0.963 0.438 1.000 0.667 CB 0.894 Z: 6 3.928 1.680 0.571 0.411 0.800 0.400 CB 0.913 6 residues pruned to eliminate duplicates Z: 14 8.783 1.611 0.827 0.302 0.769 0.308 CA 1.341 7 residues pruned to eliminate duplicates Z: 6 6.764 1.675 1.187 0.458 1.000 0.400 CA 0.862 6 residues pruned to eliminate duplicates Z: 37 26.700 2.101 0.608 0.468 0.889 0.583 CB 1.531 37 residues pruned to eliminate duplicates Z: 39 23.711 2.061 0.613 0.469 0.842 0.553 CB 1.418 39 residues pruned to eliminate duplicates Z: 22 17.999 2.094 0.840 0.451 0.714 0.524 CB 1.501 22 residues pruned to eliminate duplicates Z: 48 25.011 2.087 0.554 0.423 0.809 0.489 CB 1.507 48 residues pruned to eliminate duplicates Z: 43 28.145 2.118 0.649 0.443 0.881 0.524 CB 1.497 43 residues pruned to eliminate duplicates Z: 24 17.203 2.081 0.719 0.441 0.826 0.478 CB 1.290 25 residues pruned to eliminate duplicates Z: 7 4.887 1.677 0.910 0.304 0.667 0.333 CA 1.162 7 residues pruned to eliminate duplicates Z: 20 15.140 2.026 0.700 0.483 0.842 0.579 CB 1.218 20 residues pruned to eliminate duplicates Z: 56 25.528 2.040 0.500 0.401 0.873 0.545 CB 1.431 56 residues pruned to eliminate duplicates Z: 11 11.433 1.977 0.753 0.507 0.900 0.600 CB 1.151 11 residues pruned to eliminate duplicates Z: 12 12.448 2.014 0.797 0.485 0.909 0.455 CB 1.158 12 residues pruned to eliminate duplicates Z: 14 13.613 1.936 0.749 0.473 1.000 0.462 CB 1.145 14 residues pruned to eliminate duplicates Z: 11 11.726 1.986 0.688 0.455 0.800 0.500 CB 1.448 11 residues pruned to eliminate duplicates Z: 11 14.650 1.980 0.655 0.553 1.000 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 40 24.685 1.997 0.654 0.488 0.897 0.487 CB 1.350 40 residues pruned to eliminate duplicates Z: 49 21.944 2.031 0.506 0.441 0.812 0.542 CB 1.355 49 residues pruned to eliminate duplicates Z: 47 25.533 2.062 0.557 0.447 0.891 0.609 CB 1.389 47 residues pruned to eliminate duplicates Z: 46 26.247 2.034 0.660 0.450 0.844 0.622 CB 1.444 46 residues pruned to eliminate duplicates Z: 47 21.315 2.001 0.557 0.349 0.848 0.478 CB 1.402 47 residues pruned to eliminate duplicates Z: 52 23.333 1.988 0.465 0.422 0.882 0.569 CB 1.379 52 residues pruned to eliminate duplicates Z: 53 24.558 2.027 0.461 0.435 0.885 0.519 CB 1.390 53 residues pruned to eliminate duplicates Z: 38 27.914 2.123 0.670 0.516 0.865 0.676 CB 1.473 38 residues pruned to eliminate duplicates Z: 16 19.174 2.098 0.608 0.487 0.933 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 16 16.974 2.067 0.549 0.469 0.933 0.467 CA 1.514 16 residues pruned to eliminate duplicates Z: 18 17.032 2.026 0.543 0.462 0.882 0.471 CA 1.556 18 residues pruned to eliminate duplicates Z: 17 18.145 2.090 0.563 0.463 0.938 0.562 CB 1.537 17 residues pruned to eliminate duplicates Z: 45 19.792 1.947 0.491 0.392 0.864 0.591 CB 1.334 45 residues pruned to eliminate duplicates Z: 22 16.716 1.976 0.644 0.376 0.810 0.476 CB 1.583 22 residues pruned to eliminate duplicates Z: 23 16.345 2.050 0.550 0.386 0.818 0.545 CB 1.512 23 residues pruned to eliminate duplicates Z: 28 15.735 1.949 0.533 0.374 0.852 0.556 CB 1.360 28 residues pruned to eliminate duplicates Z: 31 14.890 1.962 0.348 0.372 0.867 0.500 CB 1.360 31 residues pruned to eliminate duplicates Z: 23 16.721 2.069 0.555 0.399 0.773 0.500 CB 1.595 23 residues pruned to eliminate duplicates Z: 45 28.812 2.044 0.662 0.470 0.909 0.523 CB 1.450 45 residues pruned to eliminate duplicates Z: 22 8.292 1.885 0.189 0.309 0.857 0.476 CB 1.163 22 residues pruned to eliminate duplicates Z: 58 25.359 2.003 0.576 0.412 0.842 0.526 CB 1.386 58 residues pruned to eliminate duplicates Z: 31 16.365 1.904 0.446 0.390 0.867 0.533 CB 1.407 31 residues pruned to eliminate duplicates Z: 28 16.793 1.981 0.519 0.353 0.889 0.630 CB 1.415 28 residues pruned to eliminate duplicates Z: 14 7.193 1.999 0.485 0.228 0.692 0.231 CB 1.334 14 residues pruned to eliminate duplicates Z: 9 5.757 1.806 0.581 0.246 0.875 0.500 CB 1.092 9 residues pruned to eliminate duplicates Z: 8 5.488 1.850 0.334 0.300 0.857 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 16 7.818 1.815 0.377 0.324 0.800 0.467 CB 1.225 16 residues pruned to eliminate duplicates Z: 7 5.863 1.894 0.435 0.318 0.833 0.833 CB 1.293 7 residues pruned to eliminate duplicates Z: 43 18.989 1.955 0.559 0.327 0.833 0.381 CB 1.394 43 residues pruned to eliminate duplicates Z: 17 9.939 1.794 0.270 0.333 1.000 0.562 CB 1.309 17 residues pruned to eliminate duplicates Z: 17 9.749 1.819 0.270 0.372 0.875 0.500 N 1.383 17 residues pruned to eliminate duplicates Z: 16 8.652 1.722 0.420 0.310 0.933 0.467 CB 1.209 16 residues pruned to eliminate duplicates Z: 30 11.570 1.790 0.433 0.325 0.862 0.517 CB 1.178 30 residues pruned to eliminate duplicates Z: 16 5.885 1.657 0.310 0.281 0.800 0.467 CA 1.121 16 residues pruned to eliminate duplicates Z: 8 4.610 1.686 0.058 0.327 1.000 0.143 CB 1.181 8 residues pruned to eliminate duplicates Z: 13 16.893 2.146 0.708 0.472 0.917 0.583 CA 1.494 13 residues pruned to eliminate duplicates Z: 18 13.970 1.958 0.727 0.354 0.824 0.412 CA 1.425 18 residues pruned to eliminate duplicates Z: 12 16.767 2.140 0.686 0.451 0.909 0.364 CA 1.620 12 residues pruned to eliminate duplicates Z: 15 15.796 2.028 0.795 0.361 0.929 0.500 CA 1.449 15 residues pruned to eliminate duplicates Z: 16 16.105 2.035 0.832 0.399 0.867 0.400 CA 1.431 23 residues pruned to eliminate duplicates Z: 19 13.178 1.981 0.762 0.356 0.778 0.500 CA 1.336 19 residues pruned to eliminate duplicates Z: 13 16.333 2.103 0.966 0.429 0.833 0.417 CA 1.473 13 residues pruned to eliminate duplicates Z: 17 12.587 2.042 0.628 0.397 0.812 0.500 CA 1.299 17 residues pruned to eliminate duplicates Z: 12 19.439 2.137 1.053 0.483 0.909 0.636 CA 1.494 12 residues pruned to eliminate duplicates Z: 17 14.052 1.961 0.773 0.430 0.938 0.500 CA 1.159 17 residues pruned to eliminate duplicates Z: 17 15.626 2.061 0.700 0.436 0.875 0.625 CA 1.361 17 residues pruned to eliminate duplicates Z: 17 15.761 2.029 0.739 0.411 0.875 0.375 CA 1.401 17 residues pruned to eliminate duplicates Z: 14 7.480 1.730 0.469 0.354 0.846 0.538 CA 1.130 14 residues pruned to eliminate duplicates Z: 13 6.129 1.712 0.538 0.378 0.750 0.250 CA 1.021 10 residues pruned to eliminate duplicates Z: 6 3.414 1.368 1.113 0.378 0.600 0.200 CB 1.002 6 residues pruned to eliminate duplicates Z: 19 15.691 2.041 0.631 0.511 0.889 0.556 CA 1.237 23 residues pruned to eliminate duplicates Z: 32 17.734 1.995 0.522 0.480 0.903 0.452 CA 1.185 36 residues pruned to eliminate duplicates Z: 16 15.085 2.033 0.618 0.533 0.867 0.600 CA 1.323 16 residues pruned to eliminate duplicates Z: 17 10.076 1.881 0.605 0.522 0.750 0.438 CA 1.088 17 residues pruned to eliminate duplicates Z: 23 14.659 1.953 0.512 0.433 0.864 0.455 CA 1.315 23 residues pruned to eliminate duplicates Z: 21 16.286 1.975 0.666 0.530 0.800 0.550 CA 1.343 21 residues pruned to eliminate duplicates Z: 27 18.286 2.015 0.581 0.474 0.923 0.538 CA 1.252 27 residues pruned to eliminate duplicates Z: 23 14.059 1.950 0.602 0.467 0.818 0.500 CA 1.213 23 residues pruned to eliminate duplicates Z: 16 16.975 2.045 0.734 0.575 0.867 0.467 CA 1.326 16 residues pruned to eliminate duplicates Z: 31 16.604 1.944 0.444 0.434 0.867 0.500 CB 1.334 31 residues pruned to eliminate duplicates Z: 18 13.450 1.964 0.597 0.473 0.824 0.471 CA 1.298 18 residues pruned to eliminate duplicates Z: 9 10.694 1.942 0.749 0.449 0.875 0.500 CA 1.340 9 residues pruned to eliminate duplicates Z: 24 15.818 1.952 0.552 0.413 0.913 0.391 CA 1.306 24 residues pruned to eliminate duplicates Z: 34 20.104 1.989 0.631 0.449 0.879 0.485 CA 1.294 34 residues pruned to eliminate duplicates Z: 89 37.572 1.996 0.686 0.473 0.898 0.602 CA 1.363 89 residues pruned to eliminate duplicates Z: 25 15.249 1.861 0.659 0.384 0.875 0.500 CA 1.303 25 residues pruned to eliminate duplicates Z: 27 15.771 1.893 0.530 0.429 0.885 0.577 CA 1.299 27 residues pruned to eliminate duplicates Z: 32 15.236 1.972 0.464 0.407 0.806 0.548 CB 1.296 32 residues pruned to eliminate duplicates Z: 9 5.333 1.868 0.641 0.172 0.750 0.250 CB 1.219 9 residues pruned to eliminate duplicates Z: 32 18.258 1.992 0.494 0.396 0.903 0.419 CA 1.361 32 residues pruned to eliminate duplicates Z: 11 12.427 1.996 0.807 0.438 0.900 0.500 CB 1.291 11 residues pruned to eliminate duplicates Z: 13 8.295 1.950 0.326 0.342 0.833 0.500 CB 1.319 13 residues pruned to eliminate duplicates Z: 10 12.868 2.079 0.907 0.447 0.778 0.333 CA 1.470 10 residues pruned to eliminate duplicates Z: 9 9.625 2.029 0.460 0.494 0.875 0.500 CA 1.320 9 residues pruned to eliminate duplicates Z: 14 8.884 1.971 0.478 0.325 0.846 0.385 CB 1.212 14 residues pruned to eliminate duplicates Z: 19 20.665 2.073 0.697 0.629 0.944 0.667 CB 1.298 19 residues pruned to eliminate duplicates Z: 96 39.316 2.013 0.708 0.448 0.895 0.621 CB 1.383 96 residues pruned to eliminate duplicates Z: 23 17.361 2.089 0.445 0.512 0.909 0.455 CA 1.333 23 residues pruned to eliminate duplicates Z: 17 19.147 2.163 0.537 0.567 0.938 0.562 CA 1.440 17 residues pruned to eliminate duplicates Z: 60 33.317 2.027 0.741 0.500 0.898 0.559 CB 1.369 60 residues pruned to eliminate duplicates Z: 14 18.524 2.210 0.658 0.550 0.923 0.385 CB 1.447 14 residues pruned to eliminate duplicates Z: 18 19.372 2.078 0.566 0.563 0.941 0.529 CA 1.442 18 residues pruned to eliminate duplicates Z: 18 19.815 2.106 0.638 0.521 0.941 0.471 CB 1.450 18 residues pruned to eliminate duplicates Z: 63 30.526 2.000 0.637 0.499 0.887 0.613 CB 1.336 63 residues pruned to eliminate duplicates Z: 62 34.306 2.020 0.733 0.501 0.918 0.590 CA 1.365 62 residues pruned to eliminate duplicates Z: 60 34.142 2.039 0.765 0.519 0.915 0.661 CB 1.325 60 residues pruned to eliminate duplicates Z: 68 31.633 2.015 0.693 0.481 0.881 0.597 CB 1.311 68 residues pruned to eliminate duplicates Z: 19 13.722 2.008 0.514 0.532 0.778 0.500 CB 1.326 19 residues pruned to eliminate duplicates Z: 82 36.134 2.027 0.626 0.475 0.877 0.630 CA 1.425 82 residues pruned to eliminate duplicates Z: 58 32.794 2.037 0.743 0.508 0.895 0.684 CB 1.357 58 residues pruned to eliminate duplicates Z: 82 41.824 2.025 0.733 0.510 0.938 0.679 CB 1.397 82 residues pruned to eliminate duplicates Z: 97 42.825 2.008 0.698 0.486 0.906 0.625 CB 1.434 106 residues pruned to eliminate duplicates Z: 60 35.814 2.021 0.800 0.521 0.932 0.712 CB 1.348 60 residues pruned to eliminate duplicates Z: 82 37.593 2.012 0.649 0.480 0.914 0.667 CB 1.406 82 residues pruned to eliminate duplicates Z: 37 20.256 1.942 0.677 0.462 0.833 0.417 CB 1.293 37 residues pruned to eliminate duplicates Z: 82 37.126 2.016 0.647 0.472 0.914 0.605 CB 1.399 82 residues pruned to eliminate duplicates Z: 60 31.834 1.999 0.771 0.490 0.864 0.610 CB 1.369 60 residues pruned to eliminate duplicates Z: 29 20.134 1.979 0.608 0.540 0.929 0.607 CB 1.239 29 residues pruned to eliminate duplicates Z: 85 39.824 2.036 0.745 0.463 0.905 0.655 CA 1.404 85 residues pruned to eliminate duplicates Z: 56 35.180 2.028 0.790 0.532 0.927 0.673 CB 1.365 56 residues pruned to eliminate duplicates Z: 84 33.028 1.975 0.639 0.439 0.867 0.602 CB 1.374 99 residues pruned to eliminate duplicates Z: 42 28.248 1.982 0.744 0.483 0.951 0.683 CA 1.364 42 residues pruned to eliminate duplicates Z: 64 33.287 1.972 0.773 0.493 0.905 0.651 CB 1.336 64 residues pruned to eliminate duplicates Z: 57 30.718 2.001 0.759 0.482 0.875 0.661 CB 1.357 57 residues pruned to eliminate duplicates Z: 30 18.174 2.004 0.564 0.494 0.828 0.552 CB 1.309 30 residues pruned to eliminate duplicates Z: 59 32.277 2.015 0.728 0.500 0.931 0.621 CB 1.308 59 residues pruned to eliminate duplicates Z: 65 33.844 2.018 0.721 0.488 0.922 0.609 CB 1.338 65 residues pruned to eliminate duplicates Z: 49 25.956 1.964 0.672 0.443 0.896 0.688 CB 1.351 49 residues pruned to eliminate duplicates Z: 61 36.294 2.065 0.696 0.520 0.933 0.633 CB 1.405 61 residues pruned to eliminate duplicates Z: 71 35.083 1.997 0.716 0.491 0.929 0.614 CB 1.330 71 residues pruned to eliminate duplicates Z: 26 22.411 2.018 0.701 0.516 0.920 0.800 CB 1.397 26 residues pruned to eliminate duplicates Z: 61 35.364 2.017 0.692 0.534 0.950 0.717 CB 1.362 61 residues pruned to eliminate duplicates Z: 39 28.672 1.990 0.746 0.550 0.947 0.763 CA 1.345 39 residues pruned to eliminate duplicates Z: 66 31.578 1.964 0.694 0.496 0.938 0.662 CB 1.259 66 residues pruned to eliminate duplicates Z: 26 25.535 2.024 0.880 0.553 0.960 0.680 CA 1.327 26 residues pruned to eliminate duplicates Z: 61 34.640 1.976 0.731 0.526 0.933 0.717 CB 1.366 61 residues pruned to eliminate duplicates Z: 48 29.441 1.975 0.717 0.494 0.915 0.681 CA 1.394 48 residues pruned to eliminate duplicates Z: 61 34.028 1.997 0.692 0.520 0.917 0.633 CB 1.390 61 residues pruned to eliminate duplicates Z: 27 19.642 2.052 0.654 0.382 0.923 0.692 CA 1.394 27 residues pruned to eliminate duplicates Z: 30 22.814 1.986 0.722 0.497 0.931 0.690 CB 1.335 30 residues pruned to eliminate duplicates Z: 51 29.034 2.009 0.635 0.453 0.920 0.680 CA 1.426 51 residues pruned to eliminate duplicates Z: 49 28.217 1.976 0.686 0.470 0.896 0.667 CA 1.407 49 residues pruned to eliminate duplicates Z: 77 34.320 1.990 0.667 0.476 0.868 0.658 CB 1.400 77 residues pruned to eliminate duplicates Z: 60 36.565 2.028 0.719 0.533 0.966 0.610 CB 1.368 60 residues pruned to eliminate duplicates Z: 43 30.325 1.979 0.731 0.516 0.976 0.738 CA 1.376 43 residues pruned to eliminate duplicates Z: 30 23.634 1.948 0.746 0.520 0.966 0.759 CA 1.310 30 residues pruned to eliminate duplicates Z: 56 33.016 2.012 0.629 0.547 0.964 0.673 CB 1.346 56 residues pruned to eliminate duplicates Z: 53 30.797 2.013 0.664 0.478 0.942 0.712 CA 1.383 53 residues pruned to eliminate duplicates Z: 12 5.710 1.738 0.459 0.303 0.818 0.455 CB 1.033 12 residues pruned to eliminate duplicates Z: 26 23.828 1.982 0.836 0.576 0.960 0.720 CB 1.268 26 residues pruned to eliminate duplicates Z: 83 44.076 2.019 0.729 0.522 0.951 0.646 CB 1.434 83 residues pruned to eliminate duplicates Z: 66 33.011 2.004 0.751 0.438 0.892 0.554 CB 1.394 66 residues pruned to eliminate duplicates Z: 63 29.923 1.961 0.597 0.448 0.919 0.597 CB 1.392 63 residues pruned to eliminate duplicates Z: 50 28.714 2.018 0.718 0.477 0.878 0.673 CA 1.379 50 residues pruned to eliminate duplicates Z: 65 35.854 2.018 0.754 0.529 0.906 0.625 CA 1.358 65 residues pruned to eliminate duplicates Z: 92 39.974 2.021 0.646 0.489 0.901 0.571 CA 1.414 92 residues pruned to eliminate duplicates Z: 36 23.392 1.987 0.658 0.458 0.914 0.571 CA 1.370 36 residues pruned to eliminate duplicates Z: 75 31.527 1.977 0.613 0.414 0.892 0.568 CA 1.410 75 residues pruned to eliminate duplicates Z: 84 35.408 1.987 0.698 0.444 0.892 0.614 CB 1.369 84 residues pruned to eliminate duplicates Z: 32 26.501 1.964 0.679 0.539 0.968 0.774 CA 1.436 32 residues pruned to eliminate duplicates Z: 50 23.563 1.908 0.675 0.379 0.898 0.633 CB 1.335 50 residues pruned to eliminate duplicates Z: 80 39.121 2.007 0.683 0.527 0.924 0.608 CB 1.373 80 residues pruned to eliminate duplicates Z: 35 16.907 1.849 0.608 0.409 0.882 0.529 CA 1.216 35 residues pruned to eliminate duplicates Z: 25 21.454 2.046 0.633 0.435 0.917 0.708 CA 1.530 25 residues pruned to eliminate duplicates Z: 24 17.154 1.969 0.501 0.449 0.957 0.652 CA 1.334 24 residues pruned to eliminate duplicates Z: 12 13.510 1.932 0.552 0.532 0.909 0.818 CA 1.448 12 residues pruned to eliminate duplicates Z: 83 37.880 2.022 0.663 0.468 0.915 0.585 CB 1.406 83 residues pruned to eliminate duplicates Z: 100 41.355 1.997 0.713 0.464 0.889 0.556 CB 1.417 100 residues pruned to eliminate duplicates Z: 41 22.869 2.029 0.552 0.335 0.925 0.425 CB 1.487 41 residues pruned to eliminate duplicates Z: 34 19.959 1.967 0.608 0.388 0.909 0.576 CA 1.361 34 residues pruned to eliminate duplicates Z: 69 32.781 1.973 0.636 0.469 0.926 0.603 CB 1.372 69 residues pruned to eliminate duplicates Z: 88 40.584 2.034 0.722 0.477 0.908 0.609 CB 1.400 88 residues pruned to eliminate duplicates Z: 79 35.121 1.978 0.659 0.457 0.910 0.603 CB 1.390 79 residues pruned to eliminate duplicates Z: 29 22.302 2.020 0.689 0.430 0.929 0.464 CB 1.431 29 residues pruned to eliminate duplicates Z: 33 21.277 2.039 0.540 0.396 0.938 0.688 CA 1.426 33 residues pruned to eliminate duplicates Z: 87 36.825 2.018 0.701 0.440 0.884 0.593 CA 1.393 87 residues pruned to eliminate duplicates Z: 41 26.272 2.050 0.723 0.400 0.900 0.500 CA 1.451 41 residues pruned to eliminate duplicates Z: 45 22.264 2.015 0.482 0.380 0.909 0.591 CB 1.405 45 residues pruned to eliminate duplicates Z: 36 21.307 1.986 0.673 0.339 0.914 0.571 CA 1.414 36 residues pruned to eliminate duplicates Z: 31 17.700 1.952 0.622 0.349 0.900 0.467 CA 1.336 31 residues pruned to eliminate duplicates Z: 30 19.960 1.988 0.613 0.404 0.931 0.448 CB 1.372 30 residues pruned to eliminate duplicates Z: 39 26.586 2.018 0.679 0.431 0.947 0.658 CA 1.442 39 residues pruned to eliminate duplicates Z: 39 25.736 2.015 0.707 0.407 0.921 0.632 CB 1.453 39 residues pruned to eliminate duplicates Z: 36 21.147 1.924 0.699 0.416 0.886 0.629 CA 1.348 36 residues pruned to eliminate duplicates Z: 8 6.926 2.098 0.334 0.503 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 10.845 2.022 0.667 0.448 1.000 0.429 CB 1.282 8 residues pruned to eliminate duplicates Z: 10 6.198 1.935 0.298 0.451 0.778 0.444 CB 1.112 10 residues pruned to eliminate duplicates Z: 8 8.891 2.102 0.530 0.407 0.857 0.571 CB 1.344 8 residues pruned to eliminate duplicates Z: 31 19.587 2.021 0.543 0.438 0.833 0.533 CA 1.467 31 residues pruned to eliminate duplicates Z: 100 43.352 2.013 0.674 0.467 0.919 0.556 CB 1.454 131 residues pruned to eliminate duplicates Z: 29 23.805 2.103 0.612 0.459 0.893 0.714 CB 1.550 29 residues pruned to eliminate duplicates Z: 30 15.107 1.997 0.483 0.350 0.862 0.483 CB 1.293 30 residues pruned to eliminate duplicates Z: 30 19.062 2.014 0.652 0.400 0.897 0.586 CB 1.319 30 residues pruned to eliminate duplicates Z: 25 14.122 2.025 0.327 0.402 0.875 0.542 CB 1.359 25 residues pruned to eliminate duplicates Z: 27 18.224 2.083 0.556 0.435 0.808 0.500 CB 1.459 27 residues pruned to eliminate duplicates Z: 20 10.826 1.798 0.507 0.409 0.737 0.579 CB 1.369 29 residues pruned to eliminate duplicates Z: 24 18.699 2.086 0.599 0.428 0.870 0.522 CB 1.448 24 residues pruned to eliminate duplicates Z: 23 20.714 2.039 0.706 0.511 0.909 0.636 CB 1.381 23 residues pruned to eliminate duplicates Z: 25 23.842 2.023 0.917 0.533 0.917 0.625 CB 1.325 25 residues pruned to eliminate duplicates Z: 36 27.872 1.996 0.876 0.525 0.829 0.629 CA 1.482 36 residues pruned to eliminate duplicates Z: 24 22.954 2.042 0.787 0.524 0.913 0.609 CB 1.404 24 residues pruned to eliminate duplicates Z: 44 33.700 2.003 0.834 0.525 0.907 0.651 CA 1.505 44 residues pruned to eliminate duplicates Z: 15 16.751 1.999 0.606 0.615 0.929 0.714 CB 1.347 15 residues pruned to eliminate duplicates Z: 25 24.359 1.992 0.960 0.479 0.917 0.583 CB 1.419 25 residues pruned to eliminate duplicates Z: 26 22.430 2.033 0.849 0.479 0.840 0.640 CB 1.452 26 residues pruned to eliminate duplicates Z: 14 23.555 2.106 0.829 0.716 0.923 0.846 CB 1.511 14 residues pruned to eliminate duplicates Z: 15 22.782 2.057 0.778 0.700 1.000 0.643 CB 1.388 15 residues pruned to eliminate duplicates Z: 15 25.590 2.114 0.730 0.682 0.929 0.786 CB 1.704 15 residues pruned to eliminate duplicates Z: 13 23.286 2.063 0.943 0.646 0.917 0.667 C 1.597 13 residues pruned to eliminate duplicates Z: 25 21.185 2.049 0.709 0.521 0.833 0.583 CB 1.452 25 residues pruned to eliminate duplicates Z: 38 23.873 2.048 0.484 0.496 0.838 0.622 CB 1.548 38 residues pruned to eliminate duplicates Z: 41 29.306 1.998 0.687 0.528 0.875 0.650 CB 1.528 41 residues pruned to eliminate duplicates Z: 47 33.671 1.955 0.775 0.571 0.913 0.630 CA 1.463 47 residues pruned to eliminate duplicates Z: 41 32.257 2.029 0.804 0.512 0.875 0.650 CA 1.573 41 residues pruned to eliminate duplicates Z: 33 23.813 1.962 0.686 0.540 0.844 0.594 CA 1.449 33 residues pruned to eliminate duplicates Z: 16 17.499 2.031 0.512 0.613 0.867 0.600 CA 1.525 16 residues pruned to eliminate duplicates Z: 19 15.968 1.947 0.589 0.501 0.833 0.722 CB 1.458 19 residues pruned to eliminate duplicates Z: 19 14.217 1.840 0.725 0.523 0.833 0.556 CA 1.238 19 residues pruned to eliminate duplicates Z: 20 20.093 1.972 0.619 0.533 0.947 0.579 CA 1.475 20 residues pruned to eliminate duplicates Z: 16 20.773 2.045 0.668 0.637 0.867 0.467 CA 1.596 16 residues pruned to eliminate duplicates Z: 25 20.301 1.950 0.675 0.482 0.833 0.667 CA 1.550 25 residues pruned to eliminate duplicates Z: 18 18.207 2.004 0.683 0.551 0.882 0.765 CA 1.412 18 residues pruned to eliminate duplicates Z: 19 17.908 1.958 0.784 0.537 0.778 0.722 CA 1.498 19 residues pruned to eliminate duplicates Z: 44 36.563 2.015 0.887 0.577 0.884 0.628 CB 1.541 44 residues pruned to eliminate duplicates Z: 40 26.459 1.995 0.707 0.495 0.821 0.590 CA 1.524 40 residues pruned to eliminate duplicates Z: 20 18.422 1.933 0.790 0.424 0.842 0.579 CB 1.570 20 residues pruned to eliminate duplicates Z: 22 19.983 1.874 0.929 0.439 0.905 0.619 CA 1.420 22 residues pruned to eliminate duplicates Z: 20 13.226 1.908 0.528 0.370 0.789 0.632 CA 1.515 20 residues pruned to eliminate duplicates Z: 19 20.767 1.972 0.793 0.517 0.889 0.611 CA 1.531 19 residues pruned to eliminate duplicates Z: 22 17.306 1.842 0.773 0.434 0.905 0.619 CA 1.368 22 residues pruned to eliminate duplicates Z: 7 6.539 1.634 0.344 0.586 0.833 0.333 CA 1.343 7 residues pruned to eliminate duplicates Z: 50 20.347 2.003 0.498 0.406 0.898 0.490 CB 1.190 50 residues pruned to eliminate duplicates Z: 6 6.795 1.803 0.552 0.379 1.000 0.800 CA 1.235 7 residues pruned to eliminate duplicates Z: 8 2.883 1.540 0.497 0.265 0.857 0.429 CB 0.721 8 residues pruned to eliminate duplicates Z: 25 13.142 2.028 0.322 0.413 0.875 0.500 CB 1.253 25 residues pruned to eliminate duplicates Z: 40 22.500 2.108 0.564 0.446 0.897 0.564 CB 1.286 40 residues pruned to eliminate duplicates Z: 59 24.607 2.050 0.499 0.421 0.914 0.534 CB 1.249 59 residues pruned to eliminate duplicates Z: 28 12.864 1.894 0.445 0.422 0.889 0.556 CB 1.104 28 residues pruned to eliminate duplicates Z: 23 13.915 2.094 0.502 0.467 0.818 0.591 CB 1.192 23 residues pruned to eliminate duplicates Z: 27 12.774 1.965 0.447 0.371 0.885 0.538 CB 1.144 27 residues pruned to eliminate duplicates Z: 30 12.920 1.968 0.435 0.399 0.897 0.655 CB 1.054 30 residues pruned to eliminate duplicates Z: 83 28.516 1.932 0.609 0.455 0.902 0.512 CB 1.175 104 residues pruned to eliminate duplicates Z: 6 2.566 1.719 0.038 0.273 0.800 0.400 CB 1.041 6 residues pruned to eliminate duplicates Z: 35 21.236 2.109 0.433 0.527 0.941 0.676 CB 1.246 35 residues pruned to eliminate duplicates Z: 39 22.666 2.118 0.541 0.485 0.895 0.632 CB 1.278 39 residues pruned to eliminate duplicates Z: 48 20.813 2.047 0.586 0.423 0.872 0.574 CB 1.162 48 residues pruned to eliminate duplicates Z: 26 21.695 2.129 0.579 0.538 1.000 0.640 CB 1.244 26 residues pruned to eliminate duplicates Z: 31 21.276 2.080 0.587 0.426 0.900 0.533 CB 1.412 31 residues pruned to eliminate duplicates Z: 52 19.117 1.983 0.455 0.373 0.863 0.471 CB 1.232 52 residues pruned to eliminate duplicates Z: 48 18.622 1.994 0.554 0.392 0.872 0.532 CB 1.127 48 residues pruned to eliminate duplicates Z: 20 17.590 2.105 0.502 0.458 0.947 0.474 CB 1.406 20 residues pruned to eliminate duplicates Z: 48 24.516 2.061 0.644 0.458 0.851 0.553 CB 1.295 48 residues pruned to eliminate duplicates Z: 27 20.674 2.023 0.767 0.445 0.885 0.500 CB 1.356 27 residues pruned to eliminate duplicates Z: 17 21.316 2.171 0.706 0.492 1.000 0.500 CA 1.451 17 residues pruned to eliminate duplicates Z: 18 20.793 2.127 0.861 0.481 0.941 0.529 CB 1.379 18 residues pruned to eliminate duplicates Z: 17 20.313 2.003 1.036 0.495 0.938 0.500 CB 1.335 17 residues pruned to eliminate duplicates Z: 23 16.261 1.910 0.604 0.331 0.955 0.455 CB 1.427 23 residues pruned to eliminate duplicates Z: 34 22.757 2.112 0.590 0.486 0.939 0.606 CB 1.274 34 residues pruned to eliminate duplicates Z: 26 19.847 2.084 0.681 0.396 0.920 0.520 CB 1.375 26 residues pruned to eliminate duplicates Z: 44 24.638 2.064 0.655 0.503 0.884 0.581 CB 1.241 44 residues pruned to eliminate duplicates Z: 37 24.644 2.065 0.698 0.475 0.889 0.611 CB 1.352 37 residues pruned to eliminate duplicates Z: 37 19.454 1.999 0.644 0.346 0.833 0.556 CB 1.400 37 residues pruned to eliminate duplicates Z: 27 15.558 1.974 0.521 0.347 0.885 0.385 CB 1.357 27 residues pruned to eliminate duplicates Z: 45 20.415 2.007 0.692 0.457 0.864 0.477 CB 1.096 45 residues pruned to eliminate duplicates Z: 40 18.810 1.957 0.647 0.326 0.821 0.359 CB 1.380 40 residues pruned to eliminate duplicates Z: 37 20.880 2.005 0.591 0.425 0.889 0.472 CB 1.327 37 residues pruned to eliminate duplicates Z: 33 14.918 2.016 0.588 0.347 0.812 0.375 CB 1.198 33 residues pruned to eliminate duplicates Z: 6 7.600 1.966 0.596 0.426 1.000 0.600 CB 1.169 6 residues pruned to eliminate duplicates Z: 19 9.207 1.898 0.536 0.373 0.833 0.611 CB 1.024 19 residues pruned to eliminate duplicates Z: 19 10.544 1.885 0.508 0.301 0.889 0.389 CB 1.228 19 residues pruned to eliminate duplicates Z: 47 23.985 2.039 0.673 0.422 0.891 0.565 CB 1.262 47 residues pruned to eliminate duplicates Z: 20 11.747 1.911 0.600 0.379 0.895 0.579 CB 1.121 20 residues pruned to eliminate duplicates Z: 9 13.342 1.966 0.554 0.567 1.000 0.500 CA 1.447 9 residues pruned to eliminate duplicates Z: 9 9.682 1.846 0.366 0.571 1.000 0.750 CA 1.268 9 residues pruned to eliminate duplicates Z: 9 5.928 1.832 0.262 0.418 0.875 0.500 CB 1.129 9 residues pruned to eliminate duplicates Z: 9 10.734 1.922 0.548 0.534 1.000 0.500 CA 1.234 9 residues pruned to eliminate duplicates Z: 22 9.285 1.836 0.710 0.313 0.810 0.429 CB 0.980 22 residues pruned to eliminate duplicates Z: 51 27.214 2.006 0.771 0.425 0.940 0.540 CB 1.246 51 residues pruned to eliminate duplicates Z: 14 13.248 1.969 0.798 0.458 0.769 0.615 CB 1.409 14 residues pruned to eliminate duplicates Z: 14 12.737 1.929 0.864 0.406 0.846 0.615 CA 1.281 14 residues pruned to eliminate duplicates Z: 21 15.099 1.914 0.629 0.479 0.800 0.600 CB 1.382 21 residues pruned to eliminate duplicates Z: 12 14.203 2.085 0.584 0.440 0.909 0.545 CA 1.517 18 residues pruned to eliminate duplicates Z: 28 12.958 1.987 0.635 0.347 0.778 0.444 CB 1.165 28 residues pruned to eliminate duplicates Z: 25 14.522 2.021 0.584 0.308 0.875 0.458 CB 1.309 25 residues pruned to eliminate duplicates Z: 15 9.174 1.813 0.374 0.300 0.929 0.214 CB 1.325 Z: 7 4.044 1.606 0.470 0.232 0.833 0.500 CA 1.146 Z: 8 7.037 1.564 0.621 0.446 0.857 0.429 C 1.293 8 residues pruned to eliminate duplicates Z: 21 16.616 1.945 0.702 0.471 0.900 0.600 CB 1.285 28 residues pruned to eliminate duplicates Z: 21 16.578 1.934 0.706 0.544 0.900 0.500 CB 1.196 21 residues pruned to eliminate duplicates Z: 21 13.157 1.891 0.556 0.539 0.850 0.450 CB 1.132 21 residues pruned to eliminate duplicates Z: 62 34.637 2.053 0.736 0.506 0.885 0.492 CB 1.397 62 residues pruned to eliminate duplicates Z: 19 15.301 2.024 0.632 0.551 0.833 0.556 CB 1.246 19 residues pruned to eliminate duplicates Z: 21 14.213 1.922 0.583 0.585 0.850 0.550 CB 1.133 21 residues pruned to eliminate duplicates Z: 18 10.761 1.793 0.509 0.429 0.824 0.353 CB 1.261 18 residues pruned to eliminate duplicates Z: 24 16.018 1.918 0.543 0.525 0.913 0.609 CB 1.206 24 residues pruned to eliminate duplicates Z: 27 14.686 1.873 0.486 0.510 0.885 0.500 CB 1.158 27 residues pruned to eliminate duplicates Z: 6 3.979 1.425 0.264 0.614 1.000 0.800 CB 0.887 6 residues pruned to eliminate duplicates Z: 14 9.614 1.811 0.471 0.556 0.923 0.692 CB 1.026 14 residues pruned to eliminate duplicates Z: 80 44.540 2.094 0.748 0.506 0.949 0.608 CA 1.434 80 residues pruned to eliminate duplicates Z: 80 44.350 2.103 0.808 0.497 0.937 0.633 CA 1.406 80 residues pruned to eliminate duplicates Z: 80 43.778 2.079 0.817 0.500 0.924 0.671 CA 1.411 80 residues pruned to eliminate duplicates Z: 69 36.405 2.071 0.716 0.472 0.868 0.544 CA 1.473 69 residues pruned to eliminate duplicates Z: 13 12.126 1.790 0.902 0.537 0.917 0.667 CA 1.082 13 residues pruned to eliminate duplicates Z: 79 43.024 2.115 0.760 0.477 0.949 0.577 CA 1.412 79 residues pruned to eliminate duplicates Z: 78 43.497 2.133 0.754 0.493 0.922 0.662 CA 1.446 78 residues pruned to eliminate duplicates Z: 74 42.289 2.101 0.704 0.501 0.932 0.616 CA 1.482 74 residues pruned to eliminate duplicates Z: 97 45.488 2.147 0.713 0.463 0.896 0.542 CA 1.464 97 residues pruned to eliminate duplicates Z: 75 35.833 2.076 0.679 0.406 0.905 0.473 CA 1.458 75 residues pruned to eliminate duplicates Z: 20 20.757 2.161 0.622 0.499 0.947 0.368 CA 1.435 20 residues pruned to eliminate duplicates Z: 31 25.098 2.135 0.655 0.484 0.933 0.633 CB 1.413 31 residues pruned to eliminate duplicates Z: 80 41.386 2.126 0.717 0.465 0.911 0.557 CA 1.450 80 residues pruned to eliminate duplicates Z: 65 36.713 2.110 0.685 0.458 0.906 0.531 CA 1.486 65 residues pruned to eliminate duplicates Z: 35 23.407 2.102 0.661 0.463 0.882 0.441 CA 1.353 35 residues pruned to eliminate duplicates Z: 80 43.666 2.110 0.756 0.491 0.937 0.595 CA 1.428 80 residues pruned to eliminate duplicates Z: 104 41.643 2.102 0.612 0.455 0.893 0.485 CA 1.420 104 residues pruned to eliminate duplicates Z: 72 36.772 2.089 0.638 0.446 0.930 0.577 CA 1.450 72 residues pruned to eliminate duplicates Z: 40 31.397 2.049 0.713 0.537 0.949 0.513 CA 1.456 40 residues pruned to eliminate duplicates Z: 39 20.712 2.034 0.655 0.423 0.868 0.500 CA 1.245 39 residues pruned to eliminate duplicates Z: 65 41.681 2.132 0.719 0.516 0.969 0.562 CA 1.445 65 residues pruned to eliminate duplicates Z: 52 36.797 2.129 0.691 0.510 0.941 0.608 CA 1.507 52 residues pruned to eliminate duplicates Z: 56 40.234 2.116 0.726 0.536 0.945 0.691 CA 1.517 56 residues pruned to eliminate duplicates Z: 33 28.042 2.158 0.711 0.467 0.906 0.406 CA 1.532 33 residues pruned to eliminate duplicates Z: 79 45.131 2.116 0.806 0.484 0.936 0.603 CA 1.452 79 residues pruned to eliminate duplicates Z: 79 38.526 2.058 0.756 0.482 0.910 0.590 CA 1.350 79 residues pruned to eliminate duplicates Z: 74 45.656 2.143 0.748 0.519 0.959 0.671 CA 1.460 74 residues pruned to eliminate duplicates Z: 65 41.488 2.119 0.738 0.498 0.969 0.594 CA 1.456 65 residues pruned to eliminate duplicates Z: 75 43.093 2.094 0.760 0.501 0.973 0.581 CA 1.395 75 residues pruned to eliminate duplicates Z: 94 43.701 2.073 0.718 0.466 0.903 0.581 CA 1.459 94 residues pruned to eliminate duplicates Z: 72 44.684 2.139 0.792 0.495 0.930 0.577 CA 1.497 72 residues pruned to eliminate duplicates Z: 25 24.244 2.070 0.801 0.492 0.917 0.750 CA 1.460 25 residues pruned to eliminate duplicates Z: 118 47.472 2.072 0.650 0.449 0.923 0.556 CA 1.465 118 residues pruned to eliminate duplicates Z: 53 33.365 2.011 0.697 0.440 0.962 0.692 CA 1.499 53 residues pruned to eliminate duplicates Z: 34 25.296 2.026 0.696 0.451 0.970 0.636 CA 1.389 34 residues pruned to eliminate duplicates Z: 52 33.063 2.106 0.695 0.460 0.961 0.588 CA 1.406 52 residues pruned to eliminate duplicates Z: 80 38.476 2.072 0.705 0.463 0.924 0.595 CA 1.376 80 residues pruned to eliminate duplicates Z: 80 35.145 2.084 0.537 0.453 0.911 0.595 CA 1.422 80 residues pruned to eliminate duplicates Z: 47 32.649 2.073 0.685 0.485 0.957 0.696 CA 1.462 47 residues pruned to eliminate duplicates Z: 42 37.253 2.198 0.797 0.524 0.951 0.561 CA 1.511 42 residues pruned to eliminate duplicates Z: 43 30.472 2.019 0.774 0.449 0.952 0.548 CB 1.452 43 residues pruned to eliminate duplicates Z: 57 38.317 2.148 0.688 0.490 0.929 0.571 CA 1.536 57 residues pruned to eliminate duplicates Z: 68 34.504 2.105 0.601 0.457 0.925 0.612 CA 1.413 68 residues pruned to eliminate duplicates Z: 53 34.496 2.041 0.728 0.468 0.942 0.635 CA 1.488 53 residues pruned to eliminate duplicates Z: 99 43.866 2.124 0.638 0.480 0.908 0.531 CA 1.431 99 residues pruned to eliminate duplicates Z: 45 27.186 1.991 0.766 0.416 0.909 0.568 CA 1.400 45 residues pruned to eliminate duplicates Z: 69 42.071 2.135 0.765 0.479 0.941 0.603 CA 1.470 69 residues pruned to eliminate duplicates Z: 100 45.608 2.147 0.660 0.471 0.909 0.586 CA 1.457 100 residues pruned to eliminate duplicates Z: 55 32.839 2.029 0.724 0.456 0.963 0.630 CA 1.388 55 residues pruned to eliminate duplicates Z: 74 40.364 2.103 0.783 0.457 0.918 0.589 CA 1.434 74 residues pruned to eliminate duplicates Z: 38 29.591 2.063 0.660 0.477 1.000 0.622 CA 1.454 38 residues pruned to eliminate duplicates Z: 63 38.150 2.127 0.664 0.508 0.935 0.565 CA 1.451 63 residues pruned to eliminate duplicates Z: 57 24.648 2.038 0.570 0.407 0.839 0.554 CA 1.352 57 residues pruned to eliminate duplicates Z: 57 32.123 2.001 0.847 0.429 0.946 0.554 CB 1.320 68 residues pruned to eliminate duplicates Z: 39 32.391 2.067 0.773 0.470 1.000 0.763 CA 1.478 39 residues pruned to eliminate duplicates Z: 53 31.435 2.044 0.713 0.447 0.923 0.615 CA 1.423 53 residues pruned to eliminate duplicates Z: 38 29.073 2.053 0.711 0.493 0.973 0.595 CA 1.408 38 residues pruned to eliminate duplicates Z: 43 29.788 2.024 0.778 0.445 0.929 0.643 CA 1.456 43 residues pruned to eliminate duplicates Z: 51 32.310 2.045 0.738 0.485 0.920 0.580 CA 1.420 51 residues pruned to eliminate duplicates Z: 13 8.781 1.935 0.556 0.406 0.917 0.583 CA 1.014 13 residues pruned to eliminate duplicates Z: 68 40.830 2.120 0.725 0.476 0.955 0.582 CA 1.463 68 residues pruned to eliminate duplicates Z: 70 32.148 2.066 0.612 0.436 0.855 0.536 CA 1.453 70 residues pruned to eliminate duplicates Z: 41 28.953 2.038 0.705 0.447 0.950 0.575 CA 1.463 41 residues pruned to eliminate duplicates Z: 67 35.681 2.123 0.648 0.423 0.924 0.576 CA 1.473 67 residues pruned to eliminate duplicates Z: 20 12.077 2.075 0.351 0.372 0.789 0.474 CA 1.436 20 residues pruned to eliminate duplicates Z: 43 20.491 2.048 0.501 0.355 0.881 0.452 CA 1.366 43 residues pruned to eliminate duplicates Z: 101 43.206 2.121 0.625 0.457 0.930 0.570 CA 1.407 101 residues pruned to eliminate duplicates Z: 78 36.243 2.125 0.550 0.467 0.909 0.558 CA 1.427 78 residues pruned to eliminate duplicates Z: 57 27.445 1.992 0.584 0.394 0.911 0.554 CB 1.428 57 residues pruned to eliminate duplicates Z: 47 19.909 2.072 0.306 0.356 0.913 0.478 CA 1.389 47 residues pruned to eliminate duplicates Z: 100 42.642 2.130 0.629 0.443 0.909 0.535 CA 1.441 100 residues pruned to eliminate duplicates Z: 29 12.845 1.981 0.299 0.357 0.929 0.429 CA 1.186 29 residues pruned to eliminate duplicates Z: 81 39.901 2.127 0.670 0.474 0.925 0.550 CA 1.394 81 residues pruned to eliminate duplicates Z: 100 43.960 2.133 0.679 0.450 0.889 0.545 CA 1.461 100 residues pruned to eliminate duplicates Z: 84 37.099 2.111 0.556 0.402 0.916 0.530 CA 1.501 84 residues pruned to eliminate duplicates Z: 35 21.397 2.073 0.542 0.344 0.941 0.500 CA 1.444 48 residues pruned to eliminate duplicates Z: 34 23.224 2.097 0.645 0.373 0.879 0.485 CA 1.527 34 residues pruned to eliminate duplicates Z: 46 23.257 2.077 0.486 0.343 0.911 0.422 CA 1.463 46 residues pruned to eliminate duplicates Z: 33 19.368 2.105 0.593 0.328 0.875 0.438 CA 1.409 33 residues pruned to eliminate duplicates Z: 35 22.388 2.034 0.598 0.439 0.853 0.588 CA 1.475 35 residues pruned to eliminate duplicates Z: 34 18.438 2.073 0.661 0.337 0.818 0.515 CA 1.362 34 residues pruned to eliminate duplicates Z: 100 43.939 2.123 0.624 0.441 0.939 0.586 CA 1.450 100 residues pruned to eliminate duplicates Z: 27 18.488 2.081 0.554 0.370 0.846 0.385 CA 1.524 27 residues pruned to eliminate duplicates Z: 32 24.347 2.153 0.700 0.403 0.935 0.548 CA 1.414 32 residues pruned to eliminate duplicates Z: 22 20.787 2.167 0.551 0.498 0.905 0.429 CA 1.495 22 residues pruned to eliminate duplicates Z: 17 19.796 2.283 0.618 0.446 0.938 0.500 CA 1.511 17 residues pruned to eliminate duplicates Z: 32 20.773 2.050 0.589 0.411 0.903 0.581 CA 1.393 32 residues pruned to eliminate duplicates Z: 98 41.688 2.086 0.684 0.434 0.876 0.619 CA 1.472 98 residues pruned to eliminate duplicates Z: 38 26.712 2.104 0.725 0.517 0.919 0.486 CA 1.295 26 residues pruned to eliminate duplicates Z: 6 4.863 1.648 0.774 0.292 0.800 0.400 CA 1.174 Z: 6 3.261 1.544 0.665 0.362 1.000 0.800 CA 0.658 6 residues pruned to eliminate duplicates Z: 12 10.667 1.856 0.711 0.406 0.909 0.455 CA 1.229 18 residues pruned to eliminate duplicates Z: 10 9.466 1.842 0.570 0.455 0.889 0.333 CA 1.285 10 residues pruned to eliminate duplicates Z: 21 18.716 2.176 0.576 0.415 0.900 0.400 CA 1.482 21 residues pruned to eliminate duplicates Z: 44 27.216 2.075 0.748 0.520 0.884 0.535 CA 1.269 27 residues pruned to eliminate duplicates Z: 6 4.983 1.596 0.635 0.457 1.000 0.400 CA 0.892 6 residues pruned to eliminate duplicates Z: 43 25.997 2.051 0.800 0.478 0.833 0.452 CA 1.334 43 residues pruned to eliminate duplicates Z: 46 24.081 1.976 0.661 0.436 0.889 0.467 CB 1.314 46 residues pruned to eliminate duplicates Z: 60 35.045 2.125 0.752 0.481 0.847 0.559 CA 1.475 60 residues pruned to eliminate duplicates Z: 14 16.388 2.071 0.844 0.495 0.846 0.462 CB 1.414 14 residues pruned to eliminate duplicates Z: 20 15.855 1.974 0.902 0.374 0.842 0.474 CB 1.316 20 residues pruned to eliminate duplicates Z: 21 14.705 1.961 0.812 0.309 0.850 0.400 CB 1.345 21 residues pruned to eliminate duplicates Z: 18 11.154 1.890 0.587 0.340 0.765 0.294 CA 1.405 Z: 7 6.885 1.532 0.897 0.475 1.000 0.667 C 0.992 Z: 6 4.178 1.596 0.708 0.220 0.800 0.600 CA 1.191 Z: 7 7.758 1.777 0.591 0.654 0.833 0.333 CA 1.164 14 residues pruned to eliminate duplicates Z: 6 7.660 1.883 0.216 0.851 1.000 0.800 CB 1.108 6 residues pruned to eliminate duplicates Z: 18 12.753 1.863 0.756 0.459 0.824 0.529 CB 1.197 18 residues pruned to eliminate duplicates Z: 19 13.144 1.851 0.764 0.454 0.889 0.556 CB 1.119 19 residues pruned to eliminate duplicates Z: 21 11.304 1.805 0.866 0.365 0.750 0.500 CB 1.157 21 residues pruned to eliminate duplicates Z: 20 14.678 1.799 0.664 0.499 0.947 0.579 CB 1.188 20 residues pruned to eliminate duplicates Z: 17 13.514 1.879 0.690 0.465 0.938 0.625 CB 1.176 17 residues pruned to eliminate duplicates Z: 17 14.021 1.884 0.747 0.475 0.938 0.562 CB 1.165 17 residues pruned to eliminate duplicates Z: 16 16.734 1.934 0.851 0.466 0.933 0.667 CB 1.338 16 residues pruned to eliminate duplicates Z: 6 3.975 1.697 0.523 0.345 0.600 0.600 CA 1.357 6 residues pruned to eliminate duplicates Z: 16 11.072 1.914 0.591 0.465 0.867 0.667 CB 1.123 16 residues pruned to eliminate duplicates Z: 49 30.344 1.977 0.676 0.561 0.938 0.562 CA 1.329 49 residues pruned to eliminate duplicates Z: 26 19.311 1.946 0.637 0.512 0.920 0.600 CB 1.302 26 residues pruned to eliminate duplicates Z: 27 27.981 2.057 0.976 0.635 0.885 0.654 CA 1.344 27 residues pruned to eliminate duplicates Z: 6 14.174 2.008 0.742 0.770 1.000 0.400 CB 1.426 6 residues pruned to eliminate duplicates Z: 25 21.440 2.044 0.808 0.566 0.833 0.667 CA 1.332 25 residues pruned to eliminate duplicates Z: 29 21.980 1.954 0.774 0.477 0.929 0.464 CA 1.321 29 residues pruned to eliminate duplicates Z: 56 30.822 1.993 0.687 0.529 0.891 0.673 CB 1.348 56 residues pruned to eliminate duplicates Z: 49 28.857 1.949 0.809 0.516 0.875 0.646 CA 1.329 48 residues pruned to eliminate duplicates Z: 6 5.888 1.771 0.834 0.410 1.000 0.800 CA 0.891 6 residues pruned to eliminate duplicates Z: 26 27.679 2.066 0.963 0.638 0.880 0.720 CA 1.362 26 residues pruned to eliminate duplicates Z: 27 17.519 1.849 0.706 0.492 0.846 0.577 CA 1.298 27 residues pruned to eliminate duplicates Z: 31 22.528 1.912 0.878 0.560 0.867 0.667 CA 1.247 31 residues pruned to eliminate duplicates Z: 42 24.366 1.956 0.720 0.491 0.878 0.683 CA 1.300 42 residues pruned to eliminate duplicates Z: 29 18.083 1.966 0.798 0.446 0.821 0.500 CA 1.243 29 residues pruned to eliminate duplicates Z: 23 14.329 1.923 0.782 0.430 0.818 0.636 CB 1.172 23 residues pruned to eliminate duplicates Z: 30 19.396 1.964 0.832 0.508 0.759 0.483 CA 1.309 30 residues pruned to eliminate duplicates Z: 28 23.077 1.971 0.809 0.524 0.889 0.556 CA 1.369 28 residues pruned to eliminate duplicates Z: 29 26.961 1.993 0.975 0.560 0.893 0.607 CA 1.367 29 residues pruned to eliminate duplicates Z: 39 25.813 1.964 0.898 0.489 0.895 0.605 CB 1.270 39 residues pruned to eliminate duplicates Z: 30 21.638 1.997 0.586 0.552 0.862 0.552 CB 1.400 30 residues pruned to eliminate duplicates Z: 29 30.545 2.052 0.994 0.649 0.929 0.714 CA 1.322 29 residues pruned to eliminate duplicates Z: 27 22.814 2.005 0.695 0.600 0.846 0.692 CA 1.414 27 residues pruned to eliminate duplicates Z: 7 12.008 1.823 0.948 0.611 0.833 0.667 CA 1.490 7 residues pruned to eliminate duplicates Z: 40 23.808 2.007 0.462 0.510 0.949 0.641 CA 1.356 40 residues pruned to eliminate duplicates Z: 19 16.289 2.016 0.346 0.591 1.000 0.722 CA 1.298 19 residues pruned to eliminate duplicates Z: 39 21.246 1.947 0.482 0.500 0.868 0.632 CB 1.375 46 residues pruned to eliminate duplicates Z: 27 24.235 2.014 0.584 0.599 0.923 0.692 CA 1.470 27 residues pruned to eliminate duplicates Z: 24 16.404 1.830 0.596 0.485 0.913 0.609 CA 1.301 24 residues pruned to eliminate duplicates Z: 25 13.890 1.839 0.459 0.443 0.875 0.625 CA 1.281 25 residues pruned to eliminate duplicates Z: 22 18.729 1.907 0.643 0.509 0.952 0.714 CA 1.358 22 residues pruned to eliminate duplicates Z: 42 22.802 1.970 0.596 0.518 0.878 0.659 CA 1.267 42 residues pruned to eliminate duplicates Z: 14 10.219 1.932 0.402 0.498 0.846 0.615 CB 1.239 14 residues pruned to eliminate duplicates Z: 26 19.557 1.862 0.635 0.580 0.880 0.600 CA 1.353 26 residues pruned to eliminate duplicates Z: 25 18.658 1.955 0.502 0.469 0.917 0.417 CA 1.460 35 residues pruned to eliminate duplicates Z: 28 25.125 1.997 0.728 0.589 0.926 0.593 CA 1.390 28 residues pruned to eliminate duplicates Z: 14 10.183 1.926 0.519 0.518 0.846 0.615 CA 1.121 14 residues pruned to eliminate duplicates Z: 12 9.845 1.979 0.503 0.497 0.909 0.636 CA 1.101 12 residues pruned to eliminate duplicates Z: 17 7.449 1.790 0.593 0.345 0.750 0.500 CB 1.030 17 residues pruned to eliminate duplicates Z: 19 19.803 1.998 0.783 0.593 0.944 0.667 CA 1.270 19 residues pruned to eliminate duplicates Z: 21 18.548 2.031 0.540 0.566 0.900 0.650 CB 1.382 22 residues pruned to eliminate duplicates Z: 6 2.865 1.482 0.885 0.328 0.800 0.800 CA 0.693 6 residues pruned to eliminate duplicates Z: 11 13.632 1.905 0.819 0.634 0.900 0.600 CA 1.219 11 residues pruned to eliminate duplicates Z: 11 13.749 2.019 0.796 0.591 0.900 0.700 CA 1.221 11 residues pruned to eliminate duplicates Z: 8 8.745 1.835 0.908 0.636 0.857 0.429 CA 0.969 8 residues pruned to eliminate duplicates Z: 10 8.115 1.714 0.684 0.573 0.778 0.556 CA 1.124 10 residues pruned to eliminate duplicates Z: 10 10.258 1.807 0.724 0.552 0.889 0.667 CA 1.173 11 residues pruned to eliminate duplicates Z: 6 2.182 1.468 0.604 0.298 0.600 0.400 CA 0.866 Z: 6 3.416 1.251 0.846 0.337 1.000 0.400 CA 0.791 Z: 7 4.002 1.275 0.937 0.349 0.833 0.500 CB 0.935 Z: 6 4.308 1.197 0.980 0.580 1.000 0.000 CB 0.752 5 residues pruned to eliminate duplicates 507 residues left after pruning, divided into chains as follows: A: 6 B: 68 C: 166 D: 6 E: 88 F: 98 G: 9 H: 22 I: 37 J: 7 CC for partial structure against native data = 33.87 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.400, Connect. = 0.699 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.723 for dens.mod. cycle 2 = 0.300, Contrast = 0.548, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.550, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.567, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.570, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.571, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4423 peaks > 0.5 sigma used to seed fragment search Space for about 810 unique residues taking solvent into account 812 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 18.513 2.002 0.813 0.440 0.933 0.400 CB 1.500 B: 39 29.290 1.920 0.860 0.584 0.947 0.684 CB 1.295 C: 38 21.374 2.075 0.366 0.421 0.892 0.568 CB 1.509 D: 27 23.503 1.963 0.754 0.569 0.962 0.654 CA 1.302 E: 10 7.404 1.913 0.556 0.257 0.889 0.444 CB 1.232 F: 39 34.189 2.056 0.784 0.594 0.895 0.684 CA 1.545 20 residues pruned to eliminate duplicates G: 7 4.415 1.617 0.376 0.259 0.833 0.333 CB 1.281 7 residues pruned to eliminate duplicates H: 7 14.855 1.966 1.205 0.724 0.833 0.833 CB 1.372 7 residues pruned to eliminate duplicates I: 69 36.762 2.104 0.587 0.446 0.941 0.603 CA 1.500 J: 26 13.908 1.996 0.330 0.343 0.880 0.400 CB 1.413 26 residues pruned to eliminate duplicates K: 69 35.437 2.099 0.677 0.431 0.912 0.515 CA 1.438 70 residues pruned to eliminate duplicates L: 23 18.744 2.066 0.717 0.495 0.773 0.591 CB 1.465 23 residues pruned to eliminate duplicates M: 40 17.089 1.961 0.427 0.381 0.795 0.590 CB 1.397 40 residues pruned to eliminate duplicates N: 51 19.933 1.943 0.549 0.325 0.800 0.500 CB 1.419 51 residues pruned to eliminate duplicates O: 46 22.617 2.017 0.381 0.386 0.911 0.533 CB 1.499 46 residues pruned to eliminate duplicates P: 20 10.695 1.762 0.824 0.465 0.842 0.368 CB 0.940 Q: 14 12.500 2.082 0.287 0.461 0.923 0.538 CA 1.458 14 residues pruned to eliminate duplicates R: 102 40.368 2.090 0.610 0.430 0.921 0.485 CA 1.394 33 residues pruned to eliminate duplicates S: 25 25.896 2.001 0.805 0.615 0.958 0.833 CA 1.369 27 residues pruned to eliminate duplicates T: 68 32.697 2.107 0.570 0.395 0.910 0.463 CA 1.483 68 residues pruned to eliminate duplicates U: 21 18.177 1.872 0.725 0.559 0.900 0.600 CB 1.321 19 residues pruned to eliminate duplicates V: 79 41.603 2.104 0.760 0.460 0.923 0.641 CA 1.436 79 residues pruned to eliminate duplicates W: 50 23.309 2.027 0.340 0.404 0.918 0.551 CB 1.477 50 residues pruned to eliminate duplicates X: 46 27.105 1.930 0.691 0.535 0.911 0.622 CA 1.313 Y: 39 23.199 2.123 0.582 0.446 0.868 0.553 CB 1.364 Z: 37 31.689 2.127 0.755 0.519 0.917 0.611 CB 1.514 29 residues pruned to eliminate duplicates Z: 33 22.182 2.020 0.745 0.469 0.906 0.625 CB 1.267 31 residues pruned to eliminate duplicates Z: 55 29.844 2.037 0.559 0.459 0.926 0.704 CB 1.440 55 residues pruned to eliminate duplicates Z: 23 14.408 2.017 0.415 0.402 0.818 0.500 CB 1.457 23 residues pruned to eliminate duplicates Z: 34 14.795 1.946 0.251 0.347 0.879 0.606 CB 1.421 34 residues pruned to eliminate duplicates Z: 59 28.147 2.029 0.514 0.400 0.914 0.534 CB 1.462 59 residues pruned to eliminate duplicates Z: 39 28.752 2.072 0.680 0.456 0.947 0.632 CA 1.480 39 residues pruned to eliminate duplicates Z: 78 34.979 1.990 0.540 0.450 0.948 0.610 CA 1.444 25 residues pruned to eliminate duplicates Z: 34 16.532 1.932 0.297 0.414 0.939 0.576 CB 1.337 34 residues pruned to eliminate duplicates Z: 39 18.799 1.863 0.712 0.480 0.842 0.526 CB 1.159 56 residues pruned to eliminate duplicates Z: 39 27.665 2.067 0.675 0.416 0.974 0.500 CA 1.453 39 residues pruned to eliminate duplicates Z: 20 13.531 1.878 0.590 0.376 0.895 0.368 CA 1.327 20 residues pruned to eliminate duplicates Z: 15 12.765 1.868 0.670 0.597 0.857 0.429 CB 1.163 Z: 49 32.605 2.006 0.774 0.571 0.896 0.729 CB 1.378 38 residues pruned to eliminate duplicates Z: 69 38.751 2.149 0.665 0.457 0.941 0.559 CA 1.459 37 residues pruned to eliminate duplicates Z: 12 4.752 1.609 0.181 0.387 0.818 0.455 CA 1.039 Z: 69 34.366 2.022 0.758 0.453 0.897 0.632 CB 1.372 69 residues pruned to eliminate duplicates Z: 27 20.060 1.938 0.805 0.549 0.846 0.692 CA 1.267 27 residues pruned to eliminate duplicates Z: 37 25.085 2.063 0.462 0.535 0.944 0.556 CB 1.418 37 residues pruned to eliminate duplicates Z: 75 40.742 2.000 0.722 0.559 0.919 0.730 CA 1.413 73 residues pruned to eliminate duplicates Z: 76 40.766 2.032 0.656 0.525 0.947 0.693 CA 1.441 76 residues pruned to eliminate duplicates Z: 28 19.943 1.946 0.575 0.409 0.963 0.630 CA 1.432 28 residues pruned to eliminate duplicates Z: 23 9.708 1.964 0.092 0.350 0.864 0.545 CB 1.315 23 residues pruned to eliminate duplicates Z: 21 27.459 2.123 0.832 0.632 0.900 0.650 CA 1.549 21 residues pruned to eliminate duplicates Z: 10 7.532 1.747 0.779 0.661 0.778 0.667 CB 0.895 Z: 31 19.678 2.022 0.687 0.474 0.867 0.567 CB 1.248 9 residues pruned to eliminate duplicates Z: 14 26.307 2.147 0.822 0.713 0.923 0.769 CA 1.665 14 residues pruned to eliminate duplicates Z: 56 28.418 2.055 0.544 0.422 0.873 0.527 CB 1.501 56 residues pruned to eliminate duplicates Z: 12 16.244 1.918 0.665 0.694 1.000 0.636 CB 1.285 12 residues pruned to eliminate duplicates Z: 16 13.125 2.014 0.821 0.489 0.733 0.533 CA 1.274 16 residues pruned to eliminate duplicates Z: 12 11.361 1.779 0.975 0.523 0.909 0.818 CB 1.048 Z: 26 27.773 2.110 0.772 0.532 0.960 0.600 CA 1.498 26 residues pruned to eliminate duplicates Z: 26 26.260 2.061 0.698 0.527 0.920 0.680 CB 1.588 26 residues pruned to eliminate duplicates Z: 24 12.583 2.064 0.405 0.400 0.826 0.478 CB 1.217 34 residues pruned to eliminate duplicates Z: 98 45.969 2.147 0.620 0.495 0.928 0.608 CA 1.453 98 residues pruned to eliminate duplicates Z: 36 25.988 2.148 0.652 0.511 0.886 0.514 CB 1.383 36 residues pruned to eliminate duplicates Z: 37 23.492 2.046 0.526 0.462 0.861 0.500 CB 1.514 37 residues pruned to eliminate duplicates Z: 100 43.506 2.156 0.636 0.455 0.899 0.556 CA 1.443 100 residues pruned to eliminate duplicates Z: 8 11.137 1.815 0.680 0.573 0.857 0.571 CA 1.502 8 residues pruned to eliminate duplicates Z: 8 3.001 1.549 0.793 0.186 0.714 0.429 CB 0.833 Z: 70 43.427 2.138 0.784 0.500 0.928 0.536 CA 1.478 80 residues pruned to eliminate duplicates Z: 53 25.709 2.049 0.677 0.473 0.885 0.558 CB 1.205 36 residues pruned to eliminate duplicates Z: 55 33.223 2.102 0.655 0.462 0.889 0.481 CA 1.520 55 residues pruned to eliminate duplicates Z: 25 13.355 1.945 0.671 0.335 0.833 0.375 CB 1.205 25 residues pruned to eliminate duplicates Z: 92 36.989 2.026 0.545 0.469 0.923 0.538 CB 1.384 90 residues pruned to eliminate duplicates Z: 7 5.186 1.556 0.445 0.489 0.833 0.833 CA 1.142 Z: 13 10.088 1.960 0.530 0.472 0.750 0.750 CA 1.332 13 residues pruned to eliminate duplicates Z: 15 12.502 1.700 0.799 0.470 0.857 0.714 CA 1.314 15 residues pruned to eliminate duplicates Z: 18 21.611 1.976 0.606 0.569 1.000 0.529 CB 1.545 18 residues pruned to eliminate duplicates Z: 58 25.508 2.060 0.411 0.396 0.895 0.491 CB 1.449 58 residues pruned to eliminate duplicates Z: 8 8.610 1.881 0.289 0.655 0.857 0.714 CB 1.356 8 residues pruned to eliminate duplicates Z: 40 31.917 2.157 0.703 0.500 0.897 0.615 CB 1.551 40 residues pruned to eliminate duplicates Z: 21 7.778 1.896 0.497 0.333 0.650 0.400 CB 1.132 21 residues pruned to eliminate duplicates Z: 8 6.232 1.429 0.792 0.721 0.857 0.571 CB 0.879 Z: 71 34.790 2.088 0.598 0.405 0.929 0.457 CA 1.483 71 residues pruned to eliminate duplicates Z: 48 29.008 1.946 0.676 0.553 0.915 0.617 CA 1.347 49 residues pruned to eliminate duplicates Z: 91 39.578 2.032 0.677 0.466 0.922 0.578 CB 1.374 91 residues pruned to eliminate duplicates Z: 31 28.312 1.952 0.824 0.650 0.900 0.700 CA 1.403 28 residues pruned to eliminate duplicates Z: 11 11.852 1.947 0.557 0.432 1.000 0.600 CA 1.327 2 residues pruned to eliminate duplicates Z: 9 5.956 1.811 0.417 0.325 1.000 0.625 CA 0.995 9 residues pruned to eliminate duplicates Z: 11 13.207 1.889 1.005 0.592 1.000 0.800 CB 1.009 12 residues pruned to eliminate duplicates Z: 32 20.714 2.035 0.632 0.467 0.903 0.516 CB 1.283 32 residues pruned to eliminate duplicates Z: 11 16.574 1.996 0.966 0.657 1.000 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 10 13.955 1.996 0.582 0.611 0.889 0.778 CB 1.491 10 residues pruned to eliminate duplicates Z: 8 2.220 1.625 0.096 0.376 0.857 0.429 CB 0.628 Z: 87 40.378 2.065 0.686 0.458 0.919 0.512 CA 1.421 87 residues pruned to eliminate duplicates Z: 17 17.224 1.957 0.567 0.567 0.875 0.688 CA 1.504 17 residues pruned to eliminate duplicates Z: 8 21.651 2.102 1.033 0.733 1.000 0.857 CA 1.553 8 residues pruned to eliminate duplicates Z: 18 16.133 1.995 0.647 0.546 0.882 0.471 CA 1.291 18 residues pruned to eliminate duplicates Z: 19 12.547 2.057 0.318 0.464 0.833 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 20 23.175 2.060 0.941 0.580 0.895 0.684 CA 1.376 20 residues pruned to eliminate duplicates Z: 49 21.765 1.981 0.479 0.389 0.896 0.521 CB 1.347 47 residues pruned to eliminate duplicates Z: 77 36.600 1.994 0.626 0.513 0.908 0.671 CA 1.409 77 residues pruned to eliminate duplicates Z: 29 17.740 1.841 0.685 0.456 0.857 0.643 CB 1.319 29 residues pruned to eliminate duplicates Z: 24 24.894 2.099 0.833 0.518 0.870 0.696 CB 1.525 24 residues pruned to eliminate duplicates Z: 68 34.976 2.044 0.635 0.488 0.896 0.597 CB 1.444 68 residues pruned to eliminate duplicates Z: 12 8.409 1.909 0.561 0.487 0.818 0.636 CA 1.053 12 residues pruned to eliminate duplicates Z: 8 7.632 1.812 0.364 0.814 1.000 1.000 CB 0.888 Z: 6 5.249 1.727 0.612 0.715 0.800 0.400 CA 0.867 Z: 48 31.781 2.065 0.609 0.471 0.957 0.617 CA 1.501 40 residues pruned to eliminate duplicates Z: 42 20.350 2.023 0.552 0.396 0.878 0.561 CB 1.287 42 residues pruned to eliminate duplicates Z: 6 6.637 1.652 0.720 0.743 0.800 0.600 CA 1.050 6 residues pruned to eliminate duplicates Z: 11 9.009 1.768 0.579 0.568 0.800 0.600 CB 1.194 Z: 26 22.321 1.943 0.652 0.578 0.920 0.640 CA 1.403 26 residues pruned to eliminate duplicates Z: 14 9.110 1.728 0.704 0.414 0.769 0.615 CA 1.220 14 residues pruned to eliminate duplicates Z: 35 23.656 1.909 0.602 0.525 0.941 0.794 CA 1.375 35 residues pruned to eliminate duplicates Z: 17 10.643 1.846 0.705 0.378 0.750 0.500 CB 1.285 17 residues pruned to eliminate duplicates Z: 63 37.264 2.003 0.721 0.508 0.952 0.677 CA 1.431 63 residues pruned to eliminate duplicates Z: 8 6.578 1.746 0.273 0.521 0.857 0.571 C 1.279 Z: 7 5.742 1.820 0.281 0.489 0.833 0.667 CA 1.219 Z: 52 18.070 1.982 0.429 0.368 0.863 0.431 CB 1.193 52 residues pruned to eliminate duplicates Z: 6 9.594 1.827 0.548 0.834 1.000 0.600 CB 1.137 Z: 20 17.655 2.039 0.765 0.489 0.842 0.368 CA 1.352 9 residues pruned to eliminate duplicates Z: 27 21.200 1.988 0.709 0.581 0.846 0.654 CA 1.337 27 residues pruned to eliminate duplicates Z: 6 3.594 1.236 0.886 0.652 1.000 0.400 CA 0.599 6 residues pruned to eliminate duplicates Z: 21 17.697 2.070 0.574 0.495 0.850 0.500 CA 1.436 21 residues pruned to eliminate duplicates Z: 73 31.736 1.970 0.571 0.443 0.917 0.597 CA 1.397 73 residues pruned to eliminate duplicates Z: 6 8.395 1.847 0.080 0.793 1.000 0.800 CB 1.455 Z: 113 44.342 2.106 0.591 0.448 0.893 0.545 CA 1.478 113 residues pruned to eliminate duplicates Z: 19 23.736 2.000 0.861 0.493 0.944 0.667 CB 1.603 19 residues pruned to eliminate duplicates Z: 7 13.079 1.865 0.771 0.568 1.000 0.667 CB 1.514 Z: 47 30.027 2.033 0.621 0.508 0.935 0.696 CB 1.427 47 residues pruned to eliminate duplicates Z: 62 32.042 1.970 0.596 0.493 0.934 0.672 CB 1.406 62 residues pruned to eliminate duplicates Z: 9 10.463 1.944 0.561 0.413 1.000 0.500 CA 1.335 9 residues pruned to eliminate duplicates Z: 35 20.528 2.017 0.389 0.414 0.912 0.706 CB 1.508 35 residues pruned to eliminate duplicates Z: 6 2.634 1.887 0.442 0.464 0.800 0.800 CB 0.561 Z: 10 19.056 1.963 1.240 0.615 1.000 0.444 CA 1.296 10 residues pruned to eliminate duplicates Z: 90 40.038 2.047 0.619 0.458 0.944 0.562 CA 1.416 124 residues pruned to eliminate duplicates Z: 69 36.091 2.019 0.686 0.486 0.926 0.632 CB 1.408 69 residues pruned to eliminate duplicates Z: 32 21.290 2.002 0.695 0.590 0.871 0.677 CB 1.187 32 residues pruned to eliminate duplicates Z: 55 34.117 2.031 0.727 0.477 0.944 0.685 CA 1.435 55 residues pruned to eliminate duplicates Z: 47 19.895 1.949 0.369 0.356 0.870 0.500 CB 1.477 47 residues pruned to eliminate duplicates Z: 11 4.879 1.819 0.281 0.242 1.000 0.600 CB 0.892 Z: 23 23.759 2.149 0.864 0.636 0.818 0.727 CB 1.360 23 residues pruned to eliminate duplicates Z: 9 4.243 1.673 0.037 0.639 0.875 0.625 CB 0.868 Z: 27 23.079 2.073 0.610 0.523 0.962 0.577 CB 1.378 27 residues pruned to eliminate duplicates Z: 25 28.152 2.106 0.761 0.591 0.917 0.625 CB 1.549 25 residues pruned to eliminate duplicates Z: 16 18.497 1.901 0.652 0.608 0.933 0.667 CA 1.471 16 residues pruned to eliminate duplicates Z: 15 20.635 2.020 0.631 0.633 0.929 0.643 CB 1.591 15 residues pruned to eliminate duplicates Z: 38 27.285 2.083 0.697 0.490 0.919 0.703 CA 1.395 38 residues pruned to eliminate duplicates Z: 14 16.366 1.975 0.767 0.517 0.846 0.462 CB 1.510 14 residues pruned to eliminate duplicates Z: 10 9.426 1.881 0.699 0.502 0.778 0.444 CA 1.262 8 residues pruned to eliminate duplicates Z: 12 15.032 2.114 0.637 0.395 0.909 0.545 CA 1.610 12 residues pruned to eliminate duplicates Z: 14 17.239 2.080 0.412 0.659 1.000 0.615 CB 1.405 14 residues pruned to eliminate duplicates Z: 64 34.215 2.103 0.592 0.450 0.889 0.635 CA 1.525 64 residues pruned to eliminate duplicates Z: 11 15.178 2.032 0.721 0.469 0.900 0.600 CA 1.573 11 residues pruned to eliminate duplicates Z: 10 6.763 1.706 0.708 0.673 0.778 0.667 CB 0.848 Z: 53 33.079 1.989 0.771 0.569 0.904 0.731 CB 1.348 53 residues pruned to eliminate duplicates Z: 16 13.336 1.987 0.652 0.397 0.800 0.533 CA 1.461 13 residues pruned to eliminate duplicates Z: 18 16.028 1.942 0.375 0.553 0.941 0.647 CB 1.468 18 residues pruned to eliminate duplicates Z: 6 6.970 1.952 0.013 0.792 1.000 0.800 CB 1.220 6 residues pruned to eliminate duplicates Z: 12 6.213 1.812 0.217 0.260 0.909 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 8 6.197 1.710 0.011 0.689 0.857 0.714 C 1.329 Z: 55 26.797 2.010 0.496 0.450 0.907 0.574 CB 1.408 55 residues pruned to eliminate duplicates Z: 9 8.272 1.888 0.572 0.514 0.750 0.625 CA 1.296 9 residues pruned to eliminate duplicates Z: 16 18.589 1.963 0.649 0.618 0.867 0.667 CB 1.530 16 residues pruned to eliminate duplicates Z: 8 5.023 1.670 0.455 0.317 0.857 0.429 CB 1.116 8 residues pruned to eliminate duplicates Z: 17 12.276 1.739 0.627 0.494 0.938 0.438 CB 1.164 17 residues pruned to eliminate duplicates Z: 10 11.938 1.927 0.688 0.603 0.889 0.667 CA 1.248 Z: 13 10.821 1.892 0.781 0.367 0.833 0.583 CA 1.283 6 residues pruned to eliminate duplicates Z: 9 3.458 1.650 0.526 0.372 0.500 0.375 CB 1.113 9 residues pruned to eliminate duplicates Z: 13 4.973 1.708 -0.027 0.464 0.833 0.583 CB 1.075 Z: 62 27.731 1.872 0.659 0.529 0.885 0.607 CA 1.255 62 residues pruned to eliminate duplicates Z: 44 27.812 2.109 0.575 0.455 0.907 0.465 CA 1.475 44 residues pruned to eliminate duplicates Z: 10 5.612 1.728 0.227 0.389 0.778 0.556 CB 1.276 Z: 20 15.912 1.915 0.551 0.546 0.947 0.737 CA 1.240 20 residues pruned to eliminate duplicates Z: 16 17.477 2.106 0.602 0.495 0.933 0.733 CB 1.440 16 residues pruned to eliminate duplicates Z: 16 6.537 1.788 0.529 0.429 0.667 0.533 CB 0.997 16 residues pruned to eliminate duplicates Z: 14 13.738 1.980 0.883 0.526 0.846 0.538 CA 1.176 14 residues pruned to eliminate duplicates Z: 22 17.283 1.844 0.477 0.602 0.905 0.810 CA 1.389 22 residues pruned to eliminate duplicates Z: 18 16.283 2.023 0.563 0.521 0.941 0.588 CB 1.300 18 residues pruned to eliminate duplicates Z: 23 22.226 2.137 0.585 0.532 0.909 0.727 CB 1.490 23 residues pruned to eliminate duplicates Z: 7 6.521 1.770 -0.018 0.612 1.000 0.500 CB 1.377 5 residues pruned to eliminate duplicates Z: 29 16.470 2.037 0.437 0.338 0.857 0.464 CB 1.480 29 residues pruned to eliminate duplicates Z: 22 25.558 1.935 0.795 0.632 1.000 0.714 CA 1.418 27 residues pruned to eliminate duplicates Z: 19 12.385 1.823 0.371 0.574 0.889 0.778 CA 1.223 19 residues pruned to eliminate duplicates Z: 16 14.142 1.943 0.666 0.429 0.800 0.667 CB 1.518 16 residues pruned to eliminate duplicates Z: 8 6.611 1.677 0.172 0.530 1.000 0.571 CB 1.234 Z: 21 9.378 1.840 0.475 0.408 0.850 0.550 CB 1.001 21 residues pruned to eliminate duplicates Z: 8 2.233 1.530 0.365 0.213 0.714 0.429 CB 0.793 Z: 40 19.646 1.908 0.684 0.407 0.846 0.667 CB 1.276 40 residues pruned to eliminate duplicates Z: 31 24.476 2.000 0.812 0.548 0.900 0.567 CA 1.307 31 residues pruned to eliminate duplicates Z: 15 14.268 1.838 1.138 0.526 0.929 0.643 CB 1.019 15 residues pruned to eliminate duplicates Z: 19 14.052 2.048 0.583 0.432 0.722 0.556 CB 1.519 19 residues pruned to eliminate duplicates Z: 9 7.516 1.944 0.774 0.536 0.750 0.625 CA 0.992 9 residues pruned to eliminate duplicates Z: 52 25.423 1.955 0.582 0.414 0.902 0.608 CA 1.396 52 residues pruned to eliminate duplicates Z: 6 3.024 1.682 0.017 0.555 0.600 0.400 CB 1.249 Z: 11 9.753 1.793 0.059 0.797 1.000 0.600 CB 1.253 8 residues pruned to eliminate duplicates Z: 8 8.634 1.573 0.541 0.709 1.000 0.714 CB 1.113 8 residues pruned to eliminate duplicates Z: 72 37.285 2.086 0.709 0.460 0.915 0.563 CA 1.413 72 residues pruned to eliminate duplicates Z: 20 11.933 1.865 0.308 0.487 0.842 0.684 CB 1.349 20 residues pruned to eliminate duplicates Z: 26 29.031 2.057 0.777 0.543 1.000 0.720 CA 1.523 26 residues pruned to eliminate duplicates Z: 43 22.463 1.939 0.560 0.412 0.857 0.619 CB 1.466 43 residues pruned to eliminate duplicates Z: 18 16.770 2.091 0.656 0.522 0.882 0.647 CA 1.302 18 residues pruned to eliminate duplicates Z: 6 5.594 1.463 0.783 0.432 1.000 0.400 CA 1.029 6 residues pruned to eliminate duplicates Z: 25 14.231 1.813 0.347 0.500 1.000 0.583 CA 1.189 53 residues pruned to eliminate duplicates Z: 6 4.321 1.566 0.125 0.732 1.000 0.600 CA 0.891 6 residues pruned to eliminate duplicates 6 1.736 1.536 0.555 0.301 0.600 0.600 CB 0.676 ? Z: 10 4.185 1.490 0.325 0.371 0.778 0.333 C 1.043 5 residues pruned to eliminate duplicates Z: 20 14.462 1.949 0.507 0.364 0.895 0.474 CA 1.461 18 residues pruned to eliminate duplicates Z: 40 22.326 2.104 0.560 0.477 0.872 0.538 CB 1.279 40 residues pruned to eliminate duplicates Z: 6 4.504 1.800 0.248 0.512 0.600 0.600 C 1.476 6 residues pruned to eliminate duplicates Z: 16 21.348 1.900 0.953 0.555 0.933 0.533 CA 1.508 16 residues pruned to eliminate duplicates Z: 15 11.900 1.785 0.262 0.744 0.857 0.786 CB 1.325 9 residues pruned to eliminate duplicates Z: 94 50.956 2.165 0.712 0.484 0.946 0.581 CA 1.531 94 residues pruned to eliminate duplicates Z: 18 11.879 1.923 0.378 0.480 0.941 0.529 CB 1.179 18 residues pruned to eliminate duplicates Z: 20 18.432 1.973 0.832 0.540 0.789 0.632 CB 1.425 20 residues pruned to eliminate duplicates Z: 6 4.435 1.689 -0.018 0.694 1.000 0.800 CB 1.002 Z: 34 16.101 1.929 0.648 0.334 0.788 0.424 CA 1.341 64 residues pruned to eliminate duplicates Z: 6 8.262 1.861 0.307 0.476 1.000 0.600 CA 1.556 Z: 12 5.450 1.786 0.414 0.373 0.727 0.636 CA 1.024 12 residues pruned to eliminate duplicates Z: 7 5.462 1.697 0.226 0.643 1.000 0.833 CA 0.938 7 residues pruned to eliminate duplicates Z: 68 26.348 2.025 0.445 0.401 0.866 0.522 CB 1.410 68 residues pruned to eliminate duplicates Z: 26 16.181 1.896 0.800 0.556 0.880 0.640 CB 1.020 15 residues pruned to eliminate duplicates Z: 13 19.883 1.953 0.910 0.664 0.917 0.750 CA 1.442 13 residues pruned to eliminate duplicates Z: 24 16.877 1.951 0.506 0.423 0.870 0.609 CA 1.492 24 residues pruned to eliminate duplicates Z: 30 12.931 1.791 0.523 0.382 0.793 0.483 CA 1.259 30 residues pruned to eliminate duplicates Z: 12 5.527 1.498 0.499 0.476 0.909 0.636 CB 0.836 Z: 7 5.112 1.874 -0.273 0.863 1.000 1.000 CB 1.124 7 residues pruned to eliminate duplicates Z: 13 10.644 1.767 0.699 0.672 0.833 0.583 CB 1.048 13 residues pruned to eliminate duplicates Z: 6 5.518 1.575 0.350 0.713 0.800 0.600 CA 1.195 4 residues pruned to eliminate duplicates Z: 7 3.872 1.673 0.186 0.347 0.833 0.667 CA 1.129 7 residues pruned to eliminate duplicates Z: 9 5.635 1.547 0.710 0.536 0.875 0.750 CB 0.831 9 residues pruned to eliminate duplicates Z: 6 4.681 1.423 1.146 0.576 1.000 0.600 CB 0.637 Z: 14 18.063 2.065 0.497 0.699 0.923 0.769 CA 1.465 14 residues pruned to eliminate duplicates Z: 8 4.764 1.686 -0.040 0.513 0.857 0.571 O 1.281 Z: 32 18.901 2.036 0.350 0.392 0.935 0.452 CB 1.480 32 residues pruned to eliminate duplicates Z: 11 5.938 1.647 0.485 0.490 0.700 0.500 CB 1.108 8 residues pruned to eliminate duplicates Z: 8 8.923 1.963 0.451 0.514 0.857 0.429 CB 1.363 8 residues pruned to eliminate duplicates Z: 10 4.416 1.497 0.185 0.491 0.778 0.333 CB 1.076 Z: 29 21.218 1.936 0.661 0.484 0.964 0.786 CA 1.314 29 residues pruned to eliminate duplicates Z: 14 12.389 1.836 0.795 0.618 0.923 0.462 CB 1.011 14 residues pruned to eliminate duplicates Z: 16 15.740 1.857 0.802 0.616 0.867 0.733 CA 1.256 16 residues pruned to eliminate duplicates Z: 11 4.862 1.478 0.187 0.409 0.800 0.500 N 1.205 7 residues pruned to eliminate duplicates Z: 8 6.112 1.654 0.696 0.596 0.714 0.571 CB 1.052 Z: 36 14.201 1.768 0.616 0.405 0.829 0.514 CB 1.120 20 residues pruned to eliminate duplicates Z: 12 7.956 1.799 0.409 0.407 1.000 0.455 CA 1.044 12 residues pruned to eliminate duplicates Z: 13 8.343 1.675 0.459 0.481 0.917 0.750 CB 1.096 5 residues pruned to eliminate duplicates Z: 12 10.679 1.694 0.765 0.405 0.909 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 60 36.130 2.010 0.725 0.545 0.915 0.644 CB 1.419 60 residues pruned to eliminate duplicates Z: 58 27.616 2.057 0.449 0.433 0.930 0.526 CA 1.415 58 residues pruned to eliminate duplicates Z: 10 10.962 1.821 0.524 0.682 0.889 0.667 CA 1.253 10 residues pruned to eliminate duplicates Z: 56 33.105 1.977 0.761 0.539 0.909 0.691 CB 1.358 56 residues pruned to eliminate duplicates Z: 64 24.193 2.031 0.583 0.396 0.889 0.508 CB 1.190 64 residues pruned to eliminate duplicates Z: 95 35.798 2.006 0.539 0.457 0.904 0.564 CB 1.382 95 residues pruned to eliminate duplicates Z: 10 5.024 1.742 0.635 0.336 0.778 0.333 CB 0.905 10 residues pruned to eliminate duplicates Z: 82 42.210 2.126 0.645 0.479 0.938 0.531 CA 1.460 81 residues pruned to eliminate duplicates Z: 80 46.126 2.095 0.824 0.539 0.911 0.570 CB 1.434 122 residues pruned to eliminate duplicates Z: 31 22.897 2.102 0.699 0.492 0.900 0.567 CB 1.312 31 residues pruned to eliminate duplicates Z: 49 28.543 1.957 0.690 0.528 0.896 0.729 CB 1.352 49 residues pruned to eliminate duplicates Z: 6 5.357 1.660 0.322 0.566 0.800 0.600 C 1.280 Z: 34 20.862 2.073 0.588 0.391 0.848 0.545 CA 1.459 34 residues pruned to eliminate duplicates Z: 58 36.350 2.043 0.833 0.533 0.912 0.632 CB 1.364 58 residues pruned to eliminate duplicates Z: 15 6.791 1.651 0.378 0.360 0.857 0.571 CB 1.082 16 residues pruned to eliminate duplicates Z: 8 5.969 1.800 0.112 0.525 0.857 0.571 C 1.282 7 residues pruned to eliminate duplicates Z: 98 41.189 2.051 0.677 0.457 0.866 0.515 CA 1.467 80 residues pruned to eliminate duplicates 6 1.684 1.704 -0.194 0.261 0.600 0.400 CB 1.201 ? Z: 97 47.481 2.144 0.645 0.485 0.958 0.552 CA 1.456 97 residues pruned to eliminate duplicates Z: 7 4.938 1.825 -0.181 0.588 0.833 0.500 CB 1.488 Z: 60 35.852 2.006 0.686 0.530 0.966 0.712 CB 1.387 60 residues pruned to eliminate duplicates Z: 12 7.565 1.744 0.483 0.510 0.909 0.273 CB 0.960 11 residues pruned to eliminate duplicates Z: 11 7.378 1.657 0.002 0.576 1.000 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 80 43.156 2.148 0.719 0.481 0.911 0.582 CA 1.471 80 residues pruned to eliminate duplicates Z: 8 6.870 1.558 0.584 0.536 0.857 0.714 CB 1.184 6 residues pruned to eliminate duplicates Z: 8 4.035 1.559 -0.011 0.408 0.857 0.571 N 1.271 Z: 6 5.605 1.820 0.623 0.769 0.800 0.400 CA 0.836 6 residues pruned to eliminate duplicates Z: 18 9.658 1.927 0.279 0.500 0.824 0.412 CA 1.154 18 residues pruned to eliminate duplicates Z: 21 15.149 1.777 0.773 0.634 0.900 0.550 CB 1.054 Z: 28 18.123 1.918 0.511 0.496 0.852 0.630 CB 1.419 28 residues pruned to eliminate duplicates Z: 10 11.301 1.897 -0.024 0.796 1.000 0.778 C 1.570 13 residues pruned to eliminate duplicates Z: 17 8.637 1.683 0.625 0.393 0.750 0.438 CA 1.179 Z: 12 9.914 1.754 0.841 0.483 0.909 0.636 CB 1.035 6 residues pruned to eliminate duplicates Z: 60 24.292 2.018 0.461 0.385 0.831 0.508 CB 1.460 60 residues pruned to eliminate duplicates Z: 25 25.341 2.033 0.760 0.613 1.000 0.792 CA 1.300 25 residues pruned to eliminate duplicates Z: 19 12.732 1.922 0.506 0.551 0.833 0.500 CA 1.184 19 residues pruned to eliminate duplicates Z: 6 4.601 1.752 -0.198 0.743 1.000 0.800 O 1.177 Z: 33 20.507 2.083 0.472 0.461 0.969 0.469 CB 1.270 33 residues pruned to eliminate duplicates Z: 7 3.962 1.567 0.218 0.378 0.833 0.500 CA 1.158 Z: 21 14.356 1.974 0.667 0.348 0.850 0.600 CA 1.352 21 residues pruned to eliminate duplicates Z: 15 10.562 1.767 0.237 0.638 0.929 0.429 CB 1.223 17 residues pruned to eliminate duplicates Z: 41 23.699 2.019 0.499 0.445 0.900 0.575 CB 1.455 41 residues pruned to eliminate duplicates Z: 15 10.114 1.789 0.398 0.493 0.786 0.286 CB 1.386 21 residues pruned to eliminate duplicates Z: 19 13.525 1.807 0.788 0.470 0.944 0.611 CB 1.078 46 residues pruned to eliminate duplicates Z: 30 19.114 1.897 0.702 0.490 0.931 0.483 CB 1.193 30 residues pruned to eliminate duplicates Z: 16 11.946 1.902 0.631 0.489 0.800 0.667 CA 1.257 14 residues pruned to eliminate duplicates Z: 14 4.740 1.625 0.266 0.303 0.615 0.308 C 1.292 14 residues pruned to eliminate duplicates Z: 12 8.480 1.722 0.657 0.484 0.818 0.818 CB 1.112 Z: 18 13.999 1.749 0.562 0.471 0.941 0.647 CB 1.361 18 residues pruned to eliminate duplicates Z: 8 3.852 1.642 0.158 0.331 0.857 0.429 CB 1.076 Z: 7 2.986 1.474 0.114 0.355 0.833 0.667 N 1.042 Z: 45 18.996 2.003 0.516 0.309 0.818 0.500 CA 1.425 45 residues pruned to eliminate duplicates Z: 6 3.674 1.648 -0.240 0.631 1.000 0.800 N 1.160 3 residues pruned to eliminate duplicates Z: 25 22.721 2.002 0.793 0.564 0.917 0.583 CA 1.324 25 residues pruned to eliminate duplicates Z: 12 4.646 1.527 0.692 0.386 0.727 0.636 CB 0.842 11 residues pruned to eliminate duplicates Z: 7 9.308 1.774 0.458 0.808 1.000 0.667 CA 1.124 Z: 7 6.259 1.877 -0.128 0.611 1.000 0.500 O 1.406 Z: 13 16.380 2.020 0.599 0.692 0.917 0.750 CA 1.340 13 residues pruned to eliminate duplicates Z: 10 4.471 1.497 0.230 0.457 0.778 0.333 O 1.087 10 residues pruned to eliminate duplicates Z: 25 14.649 1.831 0.711 0.342 0.875 0.583 CB 1.295 25 residues pruned to eliminate duplicates Z: 68 37.254 2.135 0.651 0.504 0.896 0.627 CA 1.436 68 residues pruned to eliminate duplicates Z: 14 18.202 1.918 0.785 0.619 0.923 0.692 CA 1.427 14 residues pruned to eliminate duplicates Z: 7 9.488 1.997 0.037 0.704 1.000 0.667 CB 1.554 9 residues pruned to eliminate duplicates Z: 43 27.216 2.013 0.601 0.517 0.905 0.548 CB 1.416 43 residues pruned to eliminate duplicates Z: 8 4.856 1.475 0.359 0.668 0.857 0.714 CB 0.915 Z: 11 5.133 1.543 -0.161 0.710 1.000 0.500 C 1.036 Z: 26 20.072 1.916 0.669 0.486 0.960 0.760 CB 1.326 26 residues pruned to eliminate duplicates Z: 12 10.834 1.731 0.506 0.457 0.909 0.545 CA 1.440 12 residues pruned to eliminate duplicates Z: 21 28.279 2.129 0.702 0.648 0.950 0.700 CA 1.600 21 residues pruned to eliminate duplicates Z: 7 3.395 1.702 0.362 0.347 0.667 0.333 CB 1.058 Z: 6 3.946 1.833 0.164 0.175 1.000 0.600 CB 1.225 6 1.932 1.181 0.363 0.445 0.800 0.400 CB 0.710 ? Z: 13 8.552 1.683 0.820 0.480 0.833 0.500 CB 0.987 Z: 11 7.065 1.747 0.076 0.612 0.900 0.600 CB 1.188 10 residues pruned to eliminate duplicates Z: 6 3.840 1.531 0.855 0.300 0.800 0.800 CA 0.944 6 residues pruned to eliminate duplicates Z: 99 46.446 2.144 0.677 0.471 0.918 0.541 CA 1.464 99 residues pruned to eliminate duplicates Z: 13 9.519 1.695 0.875 0.352 0.833 0.500 CA 1.218 10 residues pruned to eliminate duplicates Z: 15 12.819 2.026 0.432 0.439 0.857 0.500 CA 1.468 22 residues pruned to eliminate duplicates Z: 8 4.584 1.705 0.306 0.486 0.714 0.429 CB 1.105 Z: 10 7.310 1.710 -0.016 0.616 0.889 0.667 CB 1.461 8 residues pruned to eliminate duplicates Z: 6 2.224 1.391 0.413 0.298 0.600 0.400 CB 1.057 Z: 14 18.791 2.073 0.588 0.641 0.846 0.615 CA 1.641 14 residues pruned to eliminate duplicates Z: 16 7.468 1.785 0.430 0.333 0.667 0.533 CB 1.360 12 residues pruned to eliminate duplicates Z: 7 2.174 1.449 0.144 0.147 0.833 0.167 N 0.992 Z: 58 37.212 2.137 0.735 0.486 0.912 0.491 CA 1.479 58 residues pruned to eliminate duplicates Z: 6 7.817 2.204 0.679 0.418 0.800 0.400 CB 1.287 6 residues pruned to eliminate duplicates Z: 13 11.457 1.886 0.558 0.504 0.833 0.750 CB 1.345 13 residues pruned to eliminate duplicates Z: 26 21.055 2.083 0.643 0.470 0.880 0.440 CA 1.442 26 residues pruned to eliminate duplicates Z: 14 3.857 1.536 -0.036 0.418 0.769 0.615 CB 1.023 Z: 21 12.813 1.880 0.467 0.399 0.800 0.450 CB 1.443 21 residues pruned to eliminate duplicates Z: 6 2.456 1.429 0.209 0.700 1.000 0.400 CB 0.530 Z: 6 3.877 1.555 0.132 0.563 0.800 0.800 N 1.159 Z: 42 38.636 2.205 0.711 0.584 0.951 0.683 CA 1.551 42 residues pruned to eliminate duplicates Z: 10 5.811 1.547 0.554 0.477 0.778 0.778 CB 1.059 Z: 22 18.828 2.027 0.460 0.488 0.905 0.571 CB 1.552 22 residues pruned to eliminate duplicates Z: 6 2.210 1.325 0.373 0.413 0.600 0.400 O 0.992 Z: 12 8.805 1.677 0.557 0.392 0.818 0.545 O 1.394 Z: 36 23.353 1.972 0.662 0.495 0.943 0.543 CB 1.284 36 residues pruned to eliminate duplicates Z: 12 18.775 2.189 0.877 0.472 0.909 0.727 CA 1.560 14 residues pruned to eliminate duplicates Z: 48 23.010 2.045 0.518 0.415 0.830 0.447 CB 1.424 48 residues pruned to eliminate duplicates Z: 7 4.192 1.670 0.514 0.457 0.833 0.500 CA 0.848 6 residues pruned to eliminate duplicates Z: 6 3.894 1.487 0.132 0.489 1.000 0.600 N 1.046 Z: 6 3.491 1.666 0.043 0.468 0.800 0.600 CB 1.160 6 residues pruned to eliminate duplicates Z: 42 29.816 2.019 0.792 0.499 0.951 0.537 CB 1.354 42 residues pruned to eliminate duplicates Z: 9 14.480 1.845 0.372 0.827 1.000 0.875 N 1.525 9 residues pruned to eliminate duplicates Z: 43 27.485 1.958 0.688 0.543 0.905 0.738 CB 1.360 43 residues pruned to eliminate duplicates Z: 6 2.158 1.694 -0.268 0.829 1.000 0.800 CB 0.586 6 residues pruned to eliminate duplicates Z: 14 8.034 1.740 0.572 0.469 0.923 0.692 CB 0.911 Z: 9 9.072 1.727 0.567 0.639 0.875 0.500 CA 1.189 Z: 63 29.788 1.994 0.557 0.445 0.887 0.645 CA 1.453 63 residues pruned to eliminate duplicates Z: 12 10.488 1.980 0.784 0.295 0.818 0.455 CA 1.376 13 residues pruned to eliminate duplicates Z: 15 10.529 2.109 0.174 0.290 0.857 0.643 CA 1.679 15 residues pruned to eliminate duplicates Z: 17 15.025 2.199 0.451 0.325 0.938 0.312 CA 1.522 17 residues pruned to eliminate duplicates Z: 55 27.532 2.038 0.567 0.439 0.907 0.519 CA 1.377 52 residues pruned to eliminate duplicates Z: 53 23.759 1.979 0.439 0.443 0.904 0.673 CB 1.357 53 residues pruned to eliminate duplicates Z: 21 23.415 2.069 0.774 0.510 1.000 0.700 CA 1.412 21 residues pruned to eliminate duplicates Z: 10 8.926 1.705 0.113 0.705 0.889 0.778 CB 1.463 10 residues pruned to eliminate duplicates Z: 14 21.125 1.999 0.767 0.720 0.923 0.846 CA 1.474 14 residues pruned to eliminate duplicates Z: 9 3.820 1.652 0.116 0.334 0.750 0.625 CB 1.172 Z: 7 2.468 1.177 0.227 0.368 0.833 0.500 CB 0.964 Z: 39 22.713 1.997 0.506 0.381 0.921 0.658 CB 1.509 53 residues pruned to eliminate duplicates Z: 32 22.612 2.054 0.532 0.486 0.903 0.548 CA 1.449 38 residues pruned to eliminate duplicates Z: 12 3.993 1.656 -0.002 0.332 0.818 0.273 CB 1.070 Z: 85 39.661 2.011 0.738 0.460 0.929 0.631 CB 1.388 85 residues pruned to eliminate duplicates Z: 15 12.576 1.823 0.970 0.545 0.786 0.429 CB 1.140 15 residues pruned to eliminate duplicates Z: 23 25.089 2.001 0.780 0.639 0.955 0.864 CB 1.382 23 residues pruned to eliminate duplicates Z: 6 4.521 1.602 0.630 0.496 1.000 1.000 CB 0.777 6 residues pruned to eliminate duplicates Z: 6 4.453 1.929 -0.283 0.664 0.800 0.400 O 1.547 Z: 9 5.451 1.675 1.141 0.504 0.750 0.500 CB 0.713 9 residues pruned to eliminate duplicates Z: 11 9.882 1.836 0.440 0.548 0.800 0.500 CB 1.409 11 residues pruned to eliminate duplicates Z: 27 21.092 2.022 0.683 0.550 0.846 0.577 CA 1.368 27 residues pruned to eliminate duplicates Z: 8 4.348 1.570 0.581 0.352 0.714 0.429 CB 1.088 6 residues pruned to eliminate duplicates Z: 56 29.237 1.995 0.702 0.504 0.891 0.618 CB 1.298 56 residues pruned to eliminate duplicates Z: 10 3.626 1.766 -0.306 0.457 0.778 0.556 C 1.326 10 residues pruned to eliminate duplicates Z: 8 6.190 1.559 0.380 0.565 0.857 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 9 5.463 1.684 -0.069 0.551 1.000 0.500 C 1.172 8 residues pruned to eliminate duplicates 6 1.613 1.574 0.026 0.472 0.600 0.600 C 0.766 ? Z: 6 4.675 1.845 1.019 0.661 0.800 0.800 CB 0.604 Z: 54 31.630 2.037 0.727 0.533 0.887 0.660 CB 1.348 54 residues pruned to eliminate duplicates 6 1.316 1.464 0.356 0.100 0.600 0.200 CB 0.823 ? Z: 8 3.961 1.447 0.094 0.732 0.857 0.857 CB 0.896 8 residues pruned to eliminate duplicates Z: 8 3.685 1.816 -0.120 0.376 0.714 0.429 CA 1.392 Z: 39 22.577 2.100 0.614 0.454 0.895 0.526 CB 1.266 58 residues pruned to eliminate duplicates Z: 9 15.193 1.829 0.811 0.808 1.000 0.875 N 1.241 Z: 18 14.793 2.040 0.648 0.441 0.765 0.471 CB 1.483 26 residues pruned to eliminate duplicates Z: 11 5.857 1.638 0.025 0.513 1.000 0.400 CA 1.090 Z: 8 12.962 1.846 0.593 0.814 1.000 0.857 CA 1.268 9 residues pruned to eliminate duplicates Z: 12 13.234 1.830 0.879 0.563 1.000 0.636 CA 1.091 Z: 10 4.730 1.511 0.176 0.366 0.889 0.333 CA 1.152 10 residues pruned to eliminate duplicates Z: 11 6.771 1.667 0.559 0.568 0.800 0.800 CB 0.964 22 residues pruned to eliminate duplicates Z: 11 14.348 1.874 0.872 0.597 1.000 0.800 CB 1.179 Z: 20 24.902 2.226 0.539 0.627 0.895 0.684 CA 1.654 20 residues pruned to eliminate duplicates Z: 6 10.968 1.888 0.661 0.677 1.000 1.000 CB 1.329 6 residues pruned to eliminate duplicates Z: 7 8.565 1.723 0.666 0.552 0.833 0.667 C 1.390 8 residues pruned to eliminate duplicates Z: 6 2.851 1.422 0.221 0.258 0.800 0.400 C 1.211 6 residues pruned to eliminate duplicates Z: 7 4.298 1.635 0.056 0.557 1.000 0.833 CB 0.961 Z: 10 4.469 1.319 0.406 0.494 0.889 0.556 O 0.909 Z: 6 5.398 1.538 -0.035 0.854 1.000 0.800 CA 1.201 Z: 6 4.717 1.754 0.351 0.350 0.800 0.600 C 1.309 Z: 19 19.570 1.998 0.699 0.530 0.944 0.611 CA 1.397 19 residues pruned to eliminate duplicates Z: 7 8.654 1.696 0.858 0.826 1.000 1.000 CB 0.845 7 residues pruned to eliminate duplicates Z: 10 4.823 1.706 0.422 0.259 0.778 0.444 CB 1.124 Z: 18 8.389 1.692 0.455 0.242 0.882 0.647 CB 1.263 Z: 13 4.446 1.409 0.045 0.493 0.833 0.583 CB 1.053 Z: 10 5.275 1.560 0.725 0.417 0.667 0.444 N 1.068 Z: 8 3.102 1.368 0.007 0.536 0.857 0.571 CB 0.958 7 residues pruned to eliminate duplicates Z: 7 3.835 1.224 0.564 0.381 1.000 0.667 O 0.929 Z: 7 3.699 1.734 0.522 0.370 0.833 0.667 CB 0.790 9 residues pruned to eliminate duplicates Z: 8 7.097 1.790 -0.131 0.640 1.000 0.429 N 1.512 8 residues pruned to eliminate duplicates Z: 6 2.254 1.505 -0.027 0.472 0.800 0.800 N 0.886 6 0.867 1.565 -0.078 0.178 0.400 0.200 CB 0.992 ? Z: 46 28.004 1.977 0.634 0.569 0.911 0.689 CB 1.327 46 residues pruned to eliminate duplicates Z: 23 16.950 1.918 0.608 0.521 0.909 0.682 CB 1.263 23 residues pruned to eliminate duplicates Z: 6 2.622 1.391 0.036 0.672 0.800 0.400 CB 0.868 Z: 8 3.226 1.552 0.165 0.185 1.000 1.000 N 0.985 8 residues pruned to eliminate duplicates Z: 10 4.687 1.649 0.223 0.248 0.889 0.444 CB 1.165 9 residues pruned to eliminate duplicates Z: 32 14.974 1.952 0.368 0.440 0.871 0.484 CB 1.230 32 residues pruned to eliminate duplicates Z: 14 8.915 1.746 0.283 0.407 0.923 0.615 CA 1.317 14 residues pruned to eliminate duplicates Z: 22 12.572 1.862 0.642 0.429 0.857 0.524 CB 1.127 22 residues pruned to eliminate duplicates Z: 14 18.030 2.109 0.590 0.548 0.846 0.615 CA 1.681 14 residues pruned to eliminate duplicates Z: 7 5.187 1.715 0.489 0.507 0.667 0.667 CA 1.235 7 residues pruned to eliminate duplicates 6 1.341 1.393 0.183 0.401 0.600 0.400 O 0.673 ? Z: 15 13.506 1.828 0.695 0.525 0.857 0.571 CB 1.327 15 residues pruned to eliminate duplicates Z: 69 26.258 1.973 0.464 0.429 0.882 0.544 CB 1.345 69 residues pruned to eliminate duplicates Z: 9 3.636 1.449 0.111 0.343 0.875 0.500 N 1.083 Z: 86 40.699 2.014 0.730 0.528 0.894 0.588 CA 1.378 86 residues pruned to eliminate duplicates Z: 9 8.836 1.927 0.640 0.538 0.875 0.625 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 9.450 1.820 -0.011 0.805 1.000 0.714 CB 1.521 8 residues pruned to eliminate duplicates Z: 12 6.821 1.705 0.243 0.581 0.818 0.455 CB 1.097 6 residues pruned to eliminate duplicates Z: 10 5.116 1.586 -0.287 0.699 1.000 0.667 CA 1.259 10 residues pruned to eliminate duplicates Z: 6 5.961 1.672 0.217 0.552 1.000 0.800 CA 1.246 8 residues pruned to eliminate duplicates Z: 19 15.431 1.875 0.905 0.356 0.833 0.556 CB 1.427 28 residues pruned to eliminate duplicates Z: 18 14.686 1.960 0.587 0.381 0.882 0.647 CA 1.473 18 residues pruned to eliminate duplicates Z: 8 5.214 1.548 0.754 0.363 0.857 0.714 CB 0.981 8 residues pruned to eliminate duplicates Z: 13 13.047 1.933 0.494 0.522 1.000 0.667 CB 1.276 14 residues pruned to eliminate duplicates Z: 8 9.430 1.781 0.588 0.763 1.000 0.714 CA 0.997 8 residues pruned to eliminate duplicates Z: 8 5.054 1.404 0.128 0.749 1.000 0.714 CA 0.966 7 residues pruned to eliminate duplicates Z: 31 20.514 1.912 0.618 0.533 0.933 0.767 CA 1.256 31 residues pruned to eliminate duplicates Z: 25 16.882 1.908 0.693 0.443 0.833 0.500 CB 1.357 25 residues pruned to eliminate duplicates Z: 58 23.319 2.001 0.474 0.411 0.842 0.561 CB 1.365 58 residues pruned to eliminate duplicates Z: 6 2.759 1.519 0.299 0.363 0.800 0.600 CB 0.906 Z: 26 17.793 1.886 0.761 0.545 0.920 0.600 CB 1.114 26 residues pruned to eliminate duplicates Z: 9 4.515 1.562 0.216 0.629 0.875 0.625 CB 0.851 Z: 15 17.936 2.036 1.029 0.419 0.857 0.571 CA 1.473 15 residues pruned to eliminate duplicates Z: 14 14.374 1.788 0.641 0.636 0.923 0.769 CB 1.295 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.604 1.895 0.351 0.287 0.800 0.400 CA 1.277 6 residues pruned to eliminate duplicates Z: 74 29.189 2.034 0.523 0.392 0.877 0.479 CB 1.409 74 residues pruned to eliminate duplicates Z: 24 18.953 2.031 0.531 0.423 0.913 0.478 CA 1.509 24 residues pruned to eliminate duplicates Z: 7 16.159 2.254 0.784 0.600 1.000 1.000 CB 1.492 7 residues pruned to eliminate duplicates Z: 54 22.265 2.041 0.368 0.386 0.849 0.491 CB 1.457 54 residues pruned to eliminate duplicates Z: 56 28.545 2.067 0.465 0.415 0.927 0.509 CB 1.498 56 residues pruned to eliminate duplicates Z: 25 15.289 2.091 0.414 0.418 0.792 0.458 CB 1.452 25 residues pruned to eliminate duplicates Z: 25 18.620 2.079 0.615 0.445 0.875 0.458 CB 1.369 25 residues pruned to eliminate duplicates Z: 25 19.516 2.098 0.518 0.442 0.917 0.500 CB 1.449 25 residues pruned to eliminate duplicates Z: 54 24.872 2.047 0.425 0.443 0.849 0.547 CB 1.463 54 residues pruned to eliminate duplicates Z: 30 16.478 1.939 0.554 0.424 0.793 0.414 CB 1.387 30 residues pruned to eliminate duplicates Z: 67 26.267 2.054 0.468 0.385 0.848 0.500 CB 1.428 67 residues pruned to eliminate duplicates Z: 66 23.925 1.973 0.442 0.402 0.846 0.538 CB 1.368 66 residues pruned to eliminate duplicates Z: 27 15.265 1.999 0.485 0.384 0.846 0.308 CB 1.347 27 residues pruned to eliminate duplicates Z: 42 27.436 2.153 0.541 0.468 0.878 0.585 CB 1.520 42 residues pruned to eliminate duplicates Z: 42 29.909 2.151 0.558 0.493 0.927 0.537 CB 1.514 42 residues pruned to eliminate duplicates Z: 56 27.222 2.030 0.459 0.437 0.927 0.527 CB 1.427 56 residues pruned to eliminate duplicates Z: 19 18.278 2.100 0.505 0.548 0.944 0.500 CB 1.378 19 residues pruned to eliminate duplicates Z: 52 29.394 2.084 0.534 0.464 0.922 0.549 CB 1.450 52 residues pruned to eliminate duplicates Z: 23 21.982 2.130 0.654 0.472 0.909 0.500 CB 1.505 23 residues pruned to eliminate duplicates Z: 62 26.667 2.013 0.471 0.388 0.885 0.459 CB 1.467 62 residues pruned to eliminate duplicates Z: 65 28.995 2.056 0.475 0.446 0.891 0.500 CB 1.418 65 residues pruned to eliminate duplicates Z: 55 27.453 2.072 0.519 0.429 0.889 0.611 CB 1.436 55 residues pruned to eliminate duplicates Z: 21 20.324 2.144 0.503 0.481 0.950 0.500 CB 1.513 21 residues pruned to eliminate duplicates Z: 42 28.367 2.140 0.580 0.451 0.927 0.561 CB 1.487 42 residues pruned to eliminate duplicates Z: 59 28.019 2.082 0.463 0.444 0.879 0.569 CB 1.455 59 residues pruned to eliminate duplicates Z: 16 15.623 2.156 0.591 0.438 0.867 0.600 CB 1.447 16 residues pruned to eliminate duplicates Z: 31 15.718 2.034 0.358 0.377 0.867 0.533 CB 1.367 31 residues pruned to eliminate duplicates Z: 59 26.887 2.021 0.501 0.428 0.914 0.552 CB 1.372 59 residues pruned to eliminate duplicates Z: 28 18.515 2.000 0.577 0.372 0.926 0.556 CB 1.399 28 residues pruned to eliminate duplicates Z: 36 19.245 1.960 0.417 0.379 0.943 0.571 CB 1.413 36 residues pruned to eliminate duplicates Z: 17 14.468 2.112 0.518 0.407 0.812 0.500 CB 1.531 17 residues pruned to eliminate duplicates Z: 37 21.607 2.033 0.520 0.490 0.833 0.611 CB 1.413 37 residues pruned to eliminate duplicates Z: 32 16.819 2.019 0.377 0.383 0.839 0.548 CB 1.467 32 residues pruned to eliminate duplicates Z: 17 17.613 2.141 0.581 0.407 0.938 0.438 CB 1.529 17 residues pruned to eliminate duplicates Z: 22 11.655 1.950 0.375 0.326 0.905 0.619 CB 1.269 22 residues pruned to eliminate duplicates Z: 35 18.750 2.019 0.488 0.392 0.853 0.559 CB 1.407 35 residues pruned to eliminate duplicates Z: 31 12.577 1.898 0.467 0.313 0.767 0.533 CB 1.323 31 residues pruned to eliminate duplicates Z: 9 3.699 1.827 0.229 0.270 0.625 0.500 CB 1.211 9 residues pruned to eliminate duplicates Z: 18 9.364 1.882 0.289 0.318 0.824 0.529 CB 1.390 18 residues pruned to eliminate duplicates Z: 18 9.612 1.819 0.256 0.322 0.882 0.529 N 1.407 18 residues pruned to eliminate duplicates Z: 8 5.426 1.944 0.100 0.199 0.857 0.429 N 1.601 8 residues pruned to eliminate duplicates Z: 31 17.024 2.019 0.446 0.327 0.900 0.500 CB 1.430 31 residues pruned to eliminate duplicates Z: 14 5.821 1.819 0.328 0.232 0.846 0.385 CB 1.079 14 residues pruned to eliminate duplicates Z: 15 13.357 1.976 0.408 0.365 1.000 0.714 CB 1.484 15 residues pruned to eliminate duplicates Z: 25 14.139 1.953 0.399 0.359 0.875 0.625 CB 1.406 25 residues pruned to eliminate duplicates Z: 26 13.222 1.839 0.448 0.341 0.880 0.560 CB 1.342 26 residues pruned to eliminate duplicates Z: 17 8.232 1.836 0.071 0.331 0.938 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 16 10.370 1.913 0.342 0.345 0.867 0.533 CB 1.424 16 residues pruned to eliminate duplicates Z: 18 9.313 1.884 0.174 0.324 0.882 0.471 CA 1.405 18 residues pruned to eliminate duplicates Z: 17 10.406 1.885 0.188 0.332 1.000 0.625 CA 1.397 17 residues pruned to eliminate duplicates Z: 24 14.479 1.905 0.312 0.355 0.957 0.522 CA 1.477 24 residues pruned to eliminate duplicates Z: 18 8.816 1.846 0.277 0.332 0.882 0.647 CB 1.235 18 residues pruned to eliminate duplicates Z: 13 19.605 2.162 0.935 0.427 0.917 0.583 CA 1.593 13 residues pruned to eliminate duplicates Z: 7 16.494 2.189 0.589 0.664 1.000 0.667 CA 1.663 7 residues pruned to eliminate duplicates Z: 16 17.251 2.074 0.794 0.374 0.867 0.467 CB 1.580 16 residues pruned to eliminate duplicates Z: 17 16.523 1.980 0.836 0.403 0.938 0.500 CB 1.342 17 residues pruned to eliminate duplicates Z: 14 18.732 2.157 0.853 0.399 0.923 0.462 CA 1.567 14 residues pruned to eliminate duplicates Z: 26 12.870 1.818 0.684 0.311 0.840 0.360 CB 1.234 26 residues pruned to eliminate duplicates Z: 19 13.409 1.923 0.698 0.392 0.778 0.556 CA 1.395 19 residues pruned to eliminate duplicates Z: 14 17.026 2.091 0.732 0.475 0.923 0.462 CA 1.448 14 residues pruned to eliminate duplicates Z: 16 18.072 2.059 0.873 0.396 0.867 0.533 CA 1.558 12 residues pruned to eliminate duplicates Z: 6 2.522 1.590 0.369 0.378 0.600 0.200 CB 0.984 6 residues pruned to eliminate duplicates Z: 85 34.166 2.013 0.651 0.490 0.845 0.655 CB 1.340 85 residues pruned to eliminate duplicates Z: 33 19.008 2.022 0.613 0.417 0.812 0.531 CA 1.382 33 residues pruned to eliminate duplicates Z: 33 17.456 2.015 0.580 0.393 0.844 0.469 CA 1.285 33 residues pruned to eliminate duplicates Z: 28 13.600 1.888 0.608 0.404 0.778 0.333 CA 1.226 28 residues pruned to eliminate duplicates Z: 26 17.568 2.047 0.589 0.470 0.840 0.640 CA 1.326 26 residues pruned to eliminate duplicates Z: 29 19.570 1.913 0.796 0.463 0.893 0.500 CA 1.252 29 residues pruned to eliminate duplicates Z: 18 14.959 2.068 0.671 0.530 0.882 0.529 CA 1.156 18 residues pruned to eliminate duplicates Z: 23 11.383 1.815 0.595 0.426 0.773 0.409 CA 1.171 23 residues pruned to eliminate duplicates Z: 17 9.883 1.952 0.373 0.489 0.812 0.500 CA 1.147 17 residues pruned to eliminate duplicates Z: 19 14.250 2.051 0.669 0.457 0.833 0.667 CA 1.231 19 residues pruned to eliminate duplicates Z: 17 13.679 1.917 0.517 0.506 0.938 0.500 CA 1.247 17 residues pruned to eliminate duplicates Z: 33 15.711 1.990 0.456 0.348 0.844 0.500 CA 1.339 33 residues pruned to eliminate duplicates Z: 89 35.363 2.002 0.734 0.484 0.830 0.625 CB 1.330 89 residues pruned to eliminate duplicates Z: 15 9.399 1.897 0.361 0.253 0.929 0.571 CA 1.392 15 residues pruned to eliminate duplicates Z: 11 3.494 1.610 0.354 0.068 0.800 0.200 CB 1.116 11 residues pruned to eliminate duplicates Z: 14 7.304 1.919 0.365 0.285 0.769 0.538 CA 1.280 14 residues pruned to eliminate duplicates Z: 12 11.139 1.954 0.620 0.391 1.000 0.364 CA 1.190 12 residues pruned to eliminate duplicates Z: 10 5.913 1.817 0.254 0.291 0.889 0.222 CB 1.230 10 residues pruned to eliminate duplicates Z: 11 14.246 2.078 0.766 0.521 0.900 0.600 CA 1.337 11 residues pruned to eliminate duplicates Z: 13 13.875 2.017 0.773 0.508 0.833 0.750 CA 1.333 13 residues pruned to eliminate duplicates Z: 15 9.231 1.856 0.502 0.436 0.714 0.643 CB 1.323 15 residues pruned to eliminate duplicates Z: 33 19.819 2.014 0.670 0.444 0.812 0.562 CA 1.357 33 residues pruned to eliminate duplicates Z: 9 14.918 2.041 0.861 0.641 1.000 0.750 CA 1.216 9 residues pruned to eliminate duplicates Z: 6 9.185 2.027 0.887 0.468 1.000 0.600 CA 1.109 6 residues pruned to eliminate duplicates Z: 19 16.993 2.099 0.654 0.522 0.833 0.556 CA 1.355 19 residues pruned to eliminate duplicates Z: 20 17.757 2.022 0.965 0.457 0.842 0.579 CB 1.273 20 residues pruned to eliminate duplicates Z: 100 37.766 1.999 0.629 0.452 0.889 0.626 CB 1.377 100 residues pruned to eliminate duplicates Z: 59 31.595 2.014 0.757 0.497 0.862 0.621 CB 1.363 59 residues pruned to eliminate duplicates Z: 70 34.685 2.041 0.668 0.464 0.928 0.652 CB 1.373 70 residues pruned to eliminate duplicates Z: 60 32.839 2.029 0.726 0.529 0.881 0.661 CB 1.347 60 residues pruned to eliminate duplicates Z: 17 15.403 1.976 0.690 0.495 0.875 0.625 CB 1.324 17 residues pruned to eliminate duplicates Z: 12 18.544 2.100 0.755 0.722 0.909 0.818 CA 1.366 12 residues pruned to eliminate duplicates Z: 11 19.983 2.109 0.834 0.698 1.000 0.800 CA 1.363 11 residues pruned to eliminate duplicates Z: 51 34.380 2.037 0.854 0.558 0.900 0.720 CB 1.353 51 residues pruned to eliminate duplicates Z: 29 22.976 2.018 0.832 0.574 0.821 0.607 CB 1.330 29 residues pruned to eliminate duplicates Z: 39 21.502 1.974 0.690 0.505 0.842 0.605 CB 1.236 39 residues pruned to eliminate duplicates Z: 65 33.729 2.020 0.628 0.471 0.938 0.609 CA 1.409 65 residues pruned to eliminate duplicates Z: 52 23.834 1.983 0.601 0.483 0.843 0.627 CB 1.268 52 residues pruned to eliminate duplicates Z: 86 40.797 2.039 0.718 0.486 0.906 0.635 CB 1.414 86 residues pruned to eliminate duplicates Z: 57 31.984 2.021 0.695 0.524 0.911 0.679 CB 1.338 57 residues pruned to eliminate duplicates Z: 40 23.587 2.011 0.634 0.510 0.846 0.667 CB 1.345 40 residues pruned to eliminate duplicates Z: 55 30.439 2.006 0.611 0.524 0.926 0.648 CB 1.352 55 residues pruned to eliminate duplicates Z: 63 29.191 1.997 0.602 0.466 0.887 0.677 CB 1.352 63 residues pruned to eliminate duplicates Z: 75 33.799 1.999 0.654 0.462 0.905 0.622 CB 1.365 75 residues pruned to eliminate duplicates Z: 56 29.309 2.002 0.631 0.503 0.927 0.673 CB 1.302 56 residues pruned to eliminate duplicates Z: 35 18.198 1.959 0.711 0.477 0.853 0.500 CB 1.118 35 residues pruned to eliminate duplicates Z: 15 10.791 1.910 0.751 0.593 0.857 0.500 CB 0.921 15 residues pruned to eliminate duplicates Z: 70 34.058 2.037 0.650 0.461 0.928 0.594 CB 1.369 70 residues pruned to eliminate duplicates Z: 41 20.243 1.930 0.638 0.472 0.875 0.625 CB 1.191 41 residues pruned to eliminate duplicates Z: 72 36.309 2.028 0.642 0.488 0.930 0.620 CB 1.409 72 residues pruned to eliminate duplicates Z: 57 29.731 1.959 0.724 0.492 0.875 0.589 CB 1.355 57 residues pruned to eliminate duplicates Z: 41 27.110 2.009 0.656 0.496 0.925 0.625 CA 1.398 41 residues pruned to eliminate duplicates Z: 50 28.242 1.999 0.603 0.472 0.939 0.714 CA 1.380 50 residues pruned to eliminate duplicates Z: 55 32.517 1.996 0.701 0.540 0.926 0.648 CA 1.353 55 residues pruned to eliminate duplicates Z: 90 37.883 2.016 0.667 0.456 0.910 0.607 CB 1.374 90 residues pruned to eliminate duplicates Z: 65 28.474 1.964 0.553 0.460 0.891 0.672 CB 1.364 65 residues pruned to eliminate duplicates Z: 53 30.744 1.959 0.646 0.537 0.923 0.558 CA 1.382 53 residues pruned to eliminate duplicates Z: 49 29.188 2.011 0.650 0.454 0.938 0.688 CA 1.420 49 residues pruned to eliminate duplicates Z: 52 31.170 1.995 0.732 0.528 0.902 0.667 CB 1.362 52 residues pruned to eliminate duplicates Z: 36 28.168 2.026 0.726 0.470 1.000 0.686 CB 1.403 36 residues pruned to eliminate duplicates Z: 46 29.412 2.031 0.613 0.480 0.956 0.733 CB 1.429 46 residues pruned to eliminate duplicates Z: 71 33.900 2.011 0.657 0.463 0.900 0.629 CB 1.403 71 residues pruned to eliminate duplicates Z: 43 25.331 2.000 0.707 0.520 0.881 0.690 CB 1.274 43 residues pruned to eliminate duplicates Z: 55 35.002 2.019 0.772 0.527 0.963 0.685 CB 1.347 55 residues pruned to eliminate duplicates Z: 36 22.789 1.953 0.583 0.472 0.971 0.714 CB 1.320 36 residues pruned to eliminate duplicates Z: 28 17.315 1.946 0.554 0.335 0.963 0.630 CA 1.371 28 residues pruned to eliminate duplicates Z: 82 34.798 2.003 0.718 0.455 0.864 0.617 CB 1.361 94 residues pruned to eliminate duplicates Z: 59 31.757 1.997 0.688 0.432 0.914 0.741 CB 1.452 59 residues pruned to eliminate duplicates Z: 25 25.895 2.027 0.831 0.595 0.958 0.792 CA 1.357 25 residues pruned to eliminate duplicates Z: 25 27.534 2.072 0.872 0.575 1.000 0.833 CB 1.349 25 residues pruned to eliminate duplicates Z: 45 27.099 1.949 0.645 0.551 0.932 0.705 CB 1.301 45 residues pruned to eliminate duplicates Z: 58 31.543 1.980 0.685 0.544 0.877 0.684 CB 1.367 58 residues pruned to eliminate duplicates Z: 25 28.398 2.064 0.892 0.625 0.958 0.875 CA 1.377 25 residues pruned to eliminate duplicates Z: 88 40.019 2.038 0.699 0.507 0.908 0.644 CB 1.355 88 residues pruned to eliminate duplicates Z: 49 31.631 2.013 0.709 0.525 0.896 0.729 CA 1.445 49 residues pruned to eliminate duplicates Z: 49 30.686 2.026 0.681 0.504 0.917 0.688 CA 1.413 49 residues pruned to eliminate duplicates Z: 37 28.483 2.019 0.709 0.496 0.972 0.611 CA 1.421 37 residues pruned to eliminate duplicates Z: 90 34.224 1.962 0.625 0.486 0.876 0.573 CB 1.316 90 residues pruned to eliminate duplicates Z: 22 17.890 2.063 0.611 0.448 0.857 0.571 CA 1.445 22 residues pruned to eliminate duplicates Z: 67 32.084 1.972 0.594 0.461 0.924 0.667 CB 1.416 67 residues pruned to eliminate duplicates Z: 61 32.261 1.977 0.637 0.500 0.933 0.683 CA 1.379 61 residues pruned to eliminate duplicates Z: 50 29.992 1.997 0.694 0.494 0.939 0.673 CA 1.357 50 residues pruned to eliminate duplicates Z: 94 37.228 1.990 0.729 0.429 0.882 0.570 CB 1.370 94 residues pruned to eliminate duplicates Z: 14 11.316 1.819 0.441 0.453 0.923 0.615 CA 1.362 14 residues pruned to eliminate duplicates Z: 65 38.665 2.065 0.796 0.447 0.938 0.656 CA 1.468 74 residues pruned to eliminate duplicates Z: 6 3.913 1.593 0.216 0.378 1.000 0.800 CB 1.029 6 residues pruned to eliminate duplicates Z: 20 17.137 2.025 0.801 0.374 0.842 0.526 CA 1.463 20 residues pruned to eliminate duplicates Z: 90 34.542 1.992 0.638 0.422 0.921 0.551 CB 1.321 90 residues pruned to eliminate duplicates Z: 52 23.427 1.997 0.609 0.414 0.843 0.608 CA 1.325 52 residues pruned to eliminate duplicates Z: 64 36.686 2.057 0.670 0.463 0.921 0.619 CB 1.517 65 residues pruned to eliminate duplicates Z: 6 4.815 1.625 0.984 0.373 1.000 0.600 CA 0.765 6 residues pruned to eliminate duplicates Z: 57 29.542 2.025 0.582 0.439 0.929 0.679 CA 1.414 57 residues pruned to eliminate duplicates Z: 57 30.712 2.017 0.571 0.455 0.929 0.661 CA 1.461 57 residues pruned to eliminate duplicates Z: 57 30.747 2.022 0.641 0.466 0.929 0.625 CA 1.380 57 residues pruned to eliminate duplicates Z: 55 33.044 2.064 0.712 0.445 0.944 0.667 CA 1.427 55 residues pruned to eliminate duplicates Z: 29 19.754 2.062 0.711 0.361 0.893 0.500 CB 1.377 29 residues pruned to eliminate duplicates Z: 57 32.457 2.023 0.682 0.482 0.946 0.643 CA 1.372 57 residues pruned to eliminate duplicates Z: 28 16.833 1.987 0.496 0.393 0.852 0.481 CB 1.433 28 residues pruned to eliminate duplicates Z: 63 35.939 2.048 0.719 0.470 0.952 0.661 CA 1.404 63 residues pruned to eliminate duplicates Z: 16 15.056 2.076 0.763 0.386 0.867 0.467 CA 1.384 16 residues pruned to eliminate duplicates Z: 79 39.048 2.030 0.696 0.469 0.923 0.603 CB 1.436 80 residues pruned to eliminate duplicates Z: 6 4.807 1.665 1.018 0.296 1.000 0.800 CA 0.804 6 residues pruned to eliminate duplicates Z: 10 8.648 1.969 0.568 0.434 0.778 0.333 CB 1.286 10 residues pruned to eliminate duplicates Z: 64 33.363 2.034 0.752 0.451 0.905 0.651 CA 1.370 64 residues pruned to eliminate duplicates Z: 9 8.170 2.050 0.593 0.398 0.750 0.500 CA 1.313 9 residues pruned to eliminate duplicates Z: 112 41.465 2.016 0.660 0.429 0.892 0.550 CB 1.419 128 residues pruned to eliminate duplicates Z: 7 5.491 1.671 0.506 0.440 0.833 0.500 CA 1.137 7 residues pruned to eliminate duplicates Z: 14 11.087 2.088 0.805 0.293 0.769 0.462 CA 1.337 14 residues pruned to eliminate duplicates Z: 22 21.044 2.090 0.543 0.498 0.952 0.619 CB 1.499 22 residues pruned to eliminate duplicates Z: 23 22.682 2.141 0.673 0.474 0.864 0.636 CA 1.605 23 residues pruned to eliminate duplicates Z: 23 18.358 2.047 0.720 0.380 0.909 0.455 CB 1.390 23 residues pruned to eliminate duplicates Z: 29 15.883 2.029 0.585 0.363 0.786 0.536 CB 1.377 29 residues pruned to eliminate duplicates Z: 15 21.106 2.125 0.586 0.623 0.929 0.714 CA 1.605 15 residues pruned to eliminate duplicates Z: 19 22.023 2.175 0.728 0.590 0.833 0.611 CB 1.520 19 residues pruned to eliminate duplicates Z: 23 24.297 2.164 0.621 0.546 0.864 0.636 CB 1.635 23 residues pruned to eliminate duplicates Z: 26 27.811 2.014 0.698 0.647 0.960 0.680 CB 1.477 26 residues pruned to eliminate duplicates Z: 24 21.432 2.078 0.553 0.537 0.870 0.609 CB 1.536 24 residues pruned to eliminate duplicates Z: 23 19.567 2.104 0.454 0.561 0.909 0.545 CA 1.413 23 residues pruned to eliminate duplicates Z: 23 19.785 2.071 0.594 0.538 0.818 0.682 CB 1.505 23 residues pruned to eliminate duplicates Z: 26 20.346 2.014 0.748 0.482 0.920 0.560 CA 1.279 26 residues pruned to eliminate duplicates Z: 13 26.170 2.181 0.597 0.792 1.000 0.917 CB 1.680 13 residues pruned to eliminate duplicates Z: 33 29.284 1.953 0.809 0.599 0.875 0.656 CA 1.524 50 residues pruned to eliminate duplicates Z: 30 33.473 2.037 0.852 0.653 0.931 0.724 CA 1.535 30 residues pruned to eliminate duplicates Z: 33 26.240 1.998 0.667 0.581 0.875 0.656 CB 1.472 33 residues pruned to eliminate duplicates Z: 31 29.857 2.021 0.813 0.636 0.900 0.733 CB 1.456 31 residues pruned to eliminate duplicates Z: 19 14.052 1.867 0.536 0.529 0.833 0.556 CA 1.346 19 residues pruned to eliminate duplicates Z: 19 15.709 1.923 0.616 0.549 0.833 0.611 CB 1.363 19 residues pruned to eliminate duplicates Z: 18 20.128 1.944 0.856 0.580 0.882 0.706 CB 1.419 18 residues pruned to eliminate duplicates Z: 18 20.600 1.994 0.798 0.559 0.882 0.588 CA 1.491 18 residues pruned to eliminate duplicates Z: 17 20.389 1.906 0.876 0.634 0.875 0.688 CA 1.437 17 residues pruned to eliminate duplicates Z: 21 15.368 1.846 0.665 0.510 0.850 0.700 CB 1.302 21 residues pruned to eliminate duplicates Z: 18 18.873 2.013 0.534 0.577 0.882 0.706 CB 1.560 18 residues pruned to eliminate duplicates Z: 20 13.927 1.879 0.434 0.515 0.842 0.526 CB 1.387 20 residues pruned to eliminate duplicates Z: 14 20.968 2.063 0.759 0.688 0.923 0.615 CA 1.462 14 residues pruned to eliminate duplicates Z: 18 17.911 1.933 0.506 0.559 0.941 0.588 CA 1.497 18 residues pruned to eliminate duplicates Z: 20 20.576 1.891 0.841 0.590 0.895 0.526 CB 1.390 20 residues pruned to eliminate duplicates Z: 33 21.054 1.958 0.530 0.519 0.875 0.562 CA 1.394 33 residues pruned to eliminate duplicates Z: 18 23.202 1.946 0.958 0.632 0.941 0.588 CA 1.387 18 residues pruned to eliminate duplicates Z: 20 14.793 1.846 0.647 0.467 0.842 0.421 CA 1.371 28 residues pruned to eliminate duplicates Z: 18 9.534 1.724 0.610 0.480 0.765 0.529 CB 1.112 18 residues pruned to eliminate duplicates Z: 7 3.975 1.443 0.242 0.433 0.833 0.500 CB 1.165 Z: 7 4.751 1.448 0.518 0.483 1.000 0.500 CB 0.897 Z: 6 5.237 1.800 0.776 0.344 0.800 0.400 CA 1.085 Z: 6 3.637 1.871 0.374 0.468 0.800 0.400 CA 0.817 Z: 6 5.632 1.622 0.789 0.310 0.800 0.400 CB 1.339 Z: 6 4.600 1.710 0.297 0.419 0.800 0.400 N 1.262 Z: 6 3.181 1.661 0.253 0.406 0.800 0.200 CB 0.943 4 residues pruned to eliminate duplicates Z: 6 3.662 1.899 0.382 0.279 0.800 0.400 CB 1.001 5 residues pruned to eliminate duplicates Z: 6 5.203 1.753 0.061 0.451 1.000 0.800 CA 1.315 Z: 7 4.273 1.527 0.440 0.225 1.000 0.500 N 1.094 7 residues pruned to eliminate duplicates Z: 6 3.762 1.920 0.100 0.434 0.800 0.600 CA 1.066 3 residues pruned to eliminate duplicates Z: 26 21.678 2.103 0.547 0.501 0.960 0.640 CB 1.387 53 residues pruned to eliminate duplicates Z: 36 24.413 2.126 0.712 0.534 0.914 0.571 CB 1.199 51 residues pruned to eliminate duplicates Z: 37 20.461 2.016 0.546 0.407 0.889 0.528 CB 1.357 43 residues pruned to eliminate duplicates Z: 39 19.538 2.030 0.689 0.421 0.816 0.500 CB 1.230 45 residues pruned to eliminate duplicates Z: 19 17.791 2.073 0.841 0.432 0.889 0.500 CA 1.325 19 residues pruned to eliminate duplicates Z: 50 23.478 2.077 0.656 0.433 0.878 0.571 CB 1.191 56 residues pruned to eliminate duplicates Z: 37 20.272 2.022 0.748 0.402 0.833 0.500 CB 1.272 37 residues pruned to eliminate duplicates Z: 28 18.674 2.041 0.627 0.418 0.926 0.407 CB 1.274 28 residues pruned to eliminate duplicates Z: 35 26.483 2.081 0.870 0.500 0.882 0.647 CB 1.324 35 residues pruned to eliminate duplicates Z: 24 15.847 1.983 0.785 0.365 0.783 0.348 CA 1.379 24 residues pruned to eliminate duplicates Z: 49 23.211 2.039 0.535 0.462 0.896 0.562 CB 1.243 68 residues pruned to eliminate duplicates Z: 60 27.314 2.027 0.652 0.430 0.898 0.576 CB 1.271 60 residues pruned to eliminate duplicates Z: 42 23.789 2.070 0.672 0.438 0.927 0.585 CB 1.234 42 residues pruned to eliminate duplicates Z: 30 25.981 2.101 0.814 0.510 0.931 0.621 CB 1.347 30 residues pruned to eliminate duplicates Z: 30 20.050 2.058 0.733 0.451 0.862 0.621 CB 1.274 30 residues pruned to eliminate duplicates Z: 20 22.325 2.123 0.817 0.473 0.947 0.579 CB 1.440 20 residues pruned to eliminate duplicates Z: 28 19.021 2.067 0.672 0.425 0.852 0.444 CB 1.344 28 residues pruned to eliminate duplicates Z: 57 22.058 1.980 0.616 0.398 0.804 0.536 CB 1.277 71 residues pruned to eliminate duplicates Z: 17 10.976 1.959 0.534 0.351 0.875 0.500 CB 1.226 6 0.593 1.519 0.032 0.339 0.600 0.600 CB 0.336 ? Z: 7 3.961 1.478 0.626 0.204 0.833 0.333 CA 1.147 7 residues pruned to eliminate duplicates Z: 37 18.908 1.970 0.681 0.343 0.833 0.361 CB 1.354 54 residues pruned to eliminate duplicates Z: 52 21.317 1.953 0.575 0.419 0.882 0.412 CB 1.196 52 residues pruned to eliminate duplicates Z: 18 12.031 1.877 0.665 0.360 0.941 0.471 CB 1.153 Z: 6 2.866 1.788 0.594 0.282 0.600 0.400 CB 0.958 Z: 6 4.290 1.357 0.385 0.442 1.000 0.600 C 1.084 Z: 6 3.734 1.539 0.052 0.481 1.000 0.600 CA 1.051 5 residues pruned to eliminate duplicates Z: 6 4.797 1.543 0.508 0.423 1.000 0.800 CA 0.999 6 residues pruned to eliminate duplicates Z: 13 11.481 1.862 0.792 0.460 0.833 0.833 CB 1.243 14 residues pruned to eliminate duplicates Z: 14 14.170 1.852 0.750 0.489 1.000 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 12 12.445 1.904 0.868 0.484 0.909 0.818 CB 1.180 12 residues pruned to eliminate duplicates Z: 21 11.726 1.803 0.556 0.517 0.850 0.700 CB 1.081 13 residues pruned to eliminate duplicates Z: 7 4.405 1.446 0.823 0.428 0.833 0.333 CA 0.882 7 residues pruned to eliminate duplicates Z: 44 29.130 2.070 0.754 0.485 0.907 0.512 CB 1.370 66 residues pruned to eliminate duplicates Z: 75 38.390 2.102 0.676 0.470 0.905 0.568 CA 1.443 75 residues pruned to eliminate duplicates Z: 79 43.478 2.155 0.702 0.482 0.910 0.654 CA 1.501 79 residues pruned to eliminate duplicates Z: 62 36.900 2.124 0.650 0.469 0.918 0.639 CA 1.516 62 residues pruned to eliminate duplicates Z: 54 32.615 2.107 0.575 0.446 0.962 0.566 CB 1.483 54 residues pruned to eliminate duplicates Z: 54 37.477 2.130 0.722 0.484 0.962 0.604 CA 1.481 54 residues pruned to eliminate duplicates Z: 75 42.499 2.143 0.703 0.470 0.932 0.568 CA 1.498 75 residues pruned to eliminate duplicates Z: 84 40.151 2.116 0.637 0.445 0.904 0.518 CA 1.491 90 residues pruned to eliminate duplicates Z: 98 45.500 2.153 0.633 0.473 0.907 0.588 CA 1.488 98 residues pruned to eliminate duplicates Z: 81 46.250 2.139 0.767 0.485 0.938 0.575 CA 1.481 81 residues pruned to eliminate duplicates Z: 25 28.905 2.137 0.611 0.527 1.000 0.625 CB 1.669 25 residues pruned to eliminate duplicates Z: 38 28.330 2.101 0.670 0.470 0.946 0.595 CA 1.446 38 residues pruned to eliminate duplicates Z: 76 44.853 2.094 0.721 0.523 0.947 0.587 CA 1.484 76 residues pruned to eliminate duplicates Z: 38 27.234 2.081 0.652 0.470 0.946 0.568 CA 1.419 38 residues pruned to eliminate duplicates Z: 38 29.022 2.100 0.650 0.501 0.946 0.649 CA 1.454 38 residues pruned to eliminate duplicates Z: 26 31.936 2.147 0.761 0.540 1.000 0.600 CA 1.624 26 residues pruned to eliminate duplicates Z: 80 37.596 2.090 0.653 0.458 0.911 0.532 CA 1.402 80 residues pruned to eliminate duplicates Z: 73 35.075 2.105 0.624 0.431 0.875 0.486 CA 1.484 73 residues pruned to eliminate duplicates Z: 76 34.928 2.073 0.625 0.409 0.920 0.453 CA 1.432 76 residues pruned to eliminate duplicates Z: 41 22.425 1.873 0.610 0.443 0.950 0.525 CA 1.313 41 residues pruned to eliminate duplicates Z: 41 34.892 2.177 0.750 0.485 0.950 0.550 CA 1.547 41 residues pruned to eliminate duplicates Z: 39 26.659 2.052 0.657 0.436 0.974 0.500 CA 1.396 39 residues pruned to eliminate duplicates Z: 27 28.526 2.098 0.818 0.498 0.923 0.500 CB 1.591 27 residues pruned to eliminate duplicates Z: 53 35.646 2.098 0.716 0.480 0.942 0.538 CA 1.487 53 residues pruned to eliminate duplicates Z: 44 28.091 2.062 0.632 0.427 0.930 0.512 CA 1.476 44 residues pruned to eliminate duplicates Z: 82 44.483 2.145 0.756 0.485 0.889 0.568 CA 1.498 82 residues pruned to eliminate duplicates Z: 82 44.658 2.129 0.683 0.478 0.926 0.617 CA 1.529 82 residues pruned to eliminate duplicates Z: 26 31.813 2.130 0.819 0.535 1.000 0.680 CB 1.587 26 residues pruned to eliminate duplicates Z: 26 28.424 2.107 0.724 0.552 0.960 0.760 CA 1.550 26 residues pruned to eliminate duplicates Z: 72 37.780 2.090 0.628 0.483 0.930 0.606 CA 1.442 72 residues pruned to eliminate duplicates Z: 78 34.862 2.037 0.663 0.439 0.896 0.481 CA 1.393 78 residues pruned to eliminate duplicates Z: 52 31.220 2.107 0.637 0.428 0.902 0.510 CA 1.514 52 residues pruned to eliminate duplicates Z: 79 46.079 2.120 0.767 0.508 0.936 0.577 CA 1.476 79 residues pruned to eliminate duplicates Z: 44 29.920 1.984 0.754 0.494 0.953 0.558 CA 1.384 44 residues pruned to eliminate duplicates Z: 111 43.923 2.120 0.613 0.451 0.900 0.509 CA 1.431 111 residues pruned to eliminate duplicates Z: 98 44.218 2.147 0.607 0.461 0.928 0.536 CA 1.459 43 residues pruned to eliminate duplicates Z: 6 3.090 1.443 0.148 0.365 0.800 0.600 C 1.205 6 residues pruned to eliminate duplicates Z: 66 32.280 2.085 0.573 0.410 0.892 0.446 CA 1.504 66 residues pruned to eliminate duplicates Z: 18 17.097 2.087 0.492 0.429 0.941 0.588 CA 1.523 18 residues pruned to eliminate duplicates Z: 94 43.812 2.126 0.712 0.441 0.882 0.538 CA 1.505 94 residues pruned to eliminate duplicates Z: 99 45.302 2.157 0.624 0.453 0.929 0.571 CA 1.477 99 residues pruned to eliminate duplicates Z: 25 17.120 2.142 0.596 0.367 0.833 0.542 CA 1.415 25 residues pruned to eliminate duplicates Z: 14 14.087 2.084 0.415 0.475 0.923 0.615 CA 1.471 14 residues pruned to eliminate duplicates Z: 49 28.860 2.090 0.556 0.417 0.938 0.562 CA 1.490 49 residues pruned to eliminate duplicates Z: 80 36.984 2.098 0.582 0.452 0.873 0.570 CA 1.507 80 residues pruned to eliminate duplicates Z: 37 21.554 2.096 0.467 0.405 0.944 0.556 CA 1.367 37 residues pruned to eliminate duplicates Z: 71 32.910 2.074 0.609 0.424 0.886 0.543 CA 1.440 71 residues pruned to eliminate duplicates Z: 49 28.998 2.079 0.559 0.427 0.938 0.542 CA 1.487 49 residues pruned to eliminate duplicates Z: 23 12.943 2.048 0.380 0.335 0.909 0.455 CA 1.287 23 residues pruned to eliminate duplicates Z: 13 12.626 2.103 0.460 0.429 0.917 0.667 CA 1.394 13 residues pruned to eliminate duplicates Z: 88 35.271 2.018 0.614 0.393 0.897 0.552 CB 1.451 88 residues pruned to eliminate duplicates Z: 97 42.317 2.110 0.620 0.450 0.906 0.521 CA 1.468 97 residues pruned to eliminate duplicates Z: 45 21.653 2.024 0.491 0.350 0.909 0.409 CA 1.400 45 residues pruned to eliminate duplicates Z: 32 23.380 2.163 0.614 0.354 0.935 0.581 CA 1.505 40 residues pruned to eliminate duplicates Z: 36 17.432 1.934 0.496 0.316 0.914 0.543 CB 1.366 36 residues pruned to eliminate duplicates Z: 68 36.941 2.121 0.627 0.425 0.955 0.552 CA 1.481 68 residues pruned to eliminate duplicates Z: 20 16.862 2.140 0.631 0.439 0.789 0.368 CA 1.496 20 residues pruned to eliminate duplicates Z: 32 15.708 1.930 0.631 0.282 0.871 0.452 CA 1.317 32 residues pruned to eliminate duplicates Z: 30 14.053 2.064 0.483 0.317 0.793 0.448 CA 1.315 30 residues pruned to eliminate duplicates Z: 43 18.046 2.072 0.401 0.319 0.833 0.452 CA 1.406 43 residues pruned to eliminate duplicates Z: 79 31.068 2.060 0.611 0.398 0.859 0.423 CA 1.375 79 residues pruned to eliminate duplicates Z: 94 42.019 2.102 0.678 0.455 0.882 0.559 CA 1.466 94 residues pruned to eliminate duplicates Z: 21 17.084 2.152 0.597 0.435 0.950 0.500 CA 1.251 21 residues pruned to eliminate duplicates Z: 13 11.175 2.030 0.203 0.527 0.917 0.417 CA 1.403 13 residues pruned to eliminate duplicates Z: 37 21.684 2.071 0.498 0.392 0.861 0.472 CB 1.517 37 residues pruned to eliminate duplicates Z: 39 21.875 2.032 0.521 0.407 0.895 0.553 CA 1.415 39 residues pruned to eliminate duplicates Z: 20 16.689 2.195 0.576 0.379 0.947 0.421 CA 1.328 20 residues pruned to eliminate duplicates Z: 44 20.278 2.052 0.458 0.326 0.907 0.419 CA 1.380 44 residues pruned to eliminate duplicates Z: 38 21.670 2.114 0.612 0.396 0.838 0.432 CA 1.392 38 residues pruned to eliminate duplicates Z: 76 31.733 2.055 0.634 0.383 0.853 0.480 CA 1.448 27 residues pruned to eliminate duplicates Z: 6 4.268 1.715 1.053 0.389 0.600 0.600 CA 1.017 Z: 68 37.916 2.140 0.713 0.471 0.896 0.567 CA 1.453 74 residues pruned to eliminate duplicates Z: 112 50.106 2.121 0.689 0.477 0.919 0.595 CA 1.479 117 residues pruned to eliminate duplicates Z: 6 5.551 1.902 0.834 0.326 0.800 0.400 CA 1.078 6 residues pruned to eliminate duplicates Z: 91 45.473 2.127 0.652 0.492 0.944 0.622 CA 1.457 91 residues pruned to eliminate duplicates Z: 78 42.072 2.101 0.696 0.518 0.909 0.649 CA 1.453 78 residues pruned to eliminate duplicates Z: 90 46.072 2.122 0.698 0.509 0.933 0.640 CA 1.440 90 residues pruned to eliminate duplicates Z: 109 46.614 2.111 0.725 0.452 0.898 0.556 CA 1.440 109 residues pruned to eliminate duplicates Z: 76 37.189 2.097 0.649 0.484 0.907 0.573 CA 1.392 76 residues pruned to eliminate duplicates Z: 57 38.302 2.178 0.689 0.509 0.911 0.589 CA 1.514 57 residues pruned to eliminate duplicates Z: 55 38.635 2.185 0.648 0.496 0.944 0.574 CA 1.553 55 residues pruned to eliminate duplicates Z: 76 38.851 2.116 0.676 0.469 0.920 0.560 CA 1.419 76 residues pruned to eliminate duplicates Z: 56 40.867 2.173 0.742 0.527 0.927 0.600 CA 1.529 56 residues pruned to eliminate duplicates Z: 68 42.852 2.172 0.708 0.512 0.955 0.657 CA 1.460 68 residues pruned to eliminate duplicates Z: 92 45.332 2.106 0.722 0.498 0.912 0.604 CA 1.439 92 residues pruned to eliminate duplicates Z: 59 37.559 2.148 0.647 0.473 0.914 0.552 CA 1.568 59 residues pruned to eliminate duplicates Z: 24 27.683 2.233 0.683 0.562 0.913 0.435 CA 1.583 24 residues pruned to eliminate duplicates Z: 44 29.797 2.072 0.722 0.493 0.884 0.605 CA 1.452 44 residues pruned to eliminate duplicates Z: 57 40.021 2.171 0.699 0.511 0.929 0.536 CA 1.545 57 residues pruned to eliminate duplicates Z: 13 6.859 1.876 0.251 0.346 0.833 0.417 CA 1.197 Z: 6 4.992 1.515 0.491 0.440 1.000 0.200 CA 1.052 11 residues pruned to eliminate duplicates Z: 6 4.718 1.643 0.468 0.365 0.800 0.200 CA 1.263 5 residues pruned to eliminate duplicates Z: 16 15.565 1.908 0.789 0.516 0.867 0.667 CA 1.337 33 residues pruned to eliminate duplicates Z: 8 9.459 1.656 0.639 0.787 0.857 0.571 CA 1.194 8 residues pruned to eliminate duplicates Z: 7 12.993 1.864 0.878 0.815 1.000 0.833 CA 1.152 7 residues pruned to eliminate duplicates Z: 17 13.066 1.880 0.747 0.471 0.875 0.625 CB 1.171 17 residues pruned to eliminate duplicates Z: 17 16.272 1.845 0.903 0.482 0.875 0.688 CA 1.348 17 residues pruned to eliminate duplicates Z: 7 3.797 1.461 0.889 0.293 0.667 0.333 CA 1.061 7 residues pruned to eliminate duplicates Z: 16 16.386 1.900 0.781 0.503 0.933 0.800 CA 1.336 16 residues pruned to eliminate duplicates Z: 18 15.686 1.817 0.774 0.470 0.941 0.647 CB 1.293 17 residues pruned to eliminate duplicates Z: 6 3.221 1.321 0.693 0.425 0.800 0.600 CA 0.870 6 residues pruned to eliminate duplicates Z: 20 13.636 1.709 0.730 0.463 0.895 0.579 CB 1.228 20 residues pruned to eliminate duplicates Z: 17 13.019 1.810 0.757 0.470 0.875 0.688 CB 1.206 17 residues pruned to eliminate duplicates Z: 16 10.091 1.828 0.619 0.414 0.800 0.667 CB 1.204 17 residues pruned to eliminate duplicates Z: 6 4.824 1.507 1.216 0.350 0.800 0.600 CA 0.950 Z: 6 3.199 1.294 1.170 0.197 0.800 0.200 C 0.914 Z: 6 2.167 1.390 0.761 0.129 1.000 0.200 CB 0.630 6 residues pruned to eliminate duplicates Z: 24 25.490 2.029 0.950 0.516 0.957 0.522 CA 1.382 24 residues pruned to eliminate duplicates Z: 16 15.057 1.897 0.847 0.479 0.933 0.467 CA 1.215 16 residues pruned to eliminate duplicates Z: 28 24.324 1.953 1.038 0.543 0.852 0.556 CA 1.325 28 residues pruned to eliminate duplicates Z: 40 29.309 1.979 0.881 0.531 0.949 0.615 CB 1.289 40 residues pruned to eliminate duplicates Z: 27 19.493 1.849 0.794 0.502 0.885 0.654 CB 1.300 27 residues pruned to eliminate duplicates Z: 16 14.401 1.905 0.467 0.624 0.867 0.733 CA 1.366 16 residues pruned to eliminate duplicates Z: 28 29.390 2.009 0.973 0.594 0.963 0.704 CB 1.354 28 residues pruned to eliminate duplicates Z: 31 23.627 1.961 0.890 0.432 0.900 0.500 CA 1.387 31 residues pruned to eliminate duplicates Z: 40 21.709 1.922 0.646 0.481 0.897 0.513 CB 1.247 40 residues pruned to eliminate duplicates Z: 28 28.757 2.016 1.008 0.540 0.926 0.481 CA 1.420 28 residues pruned to eliminate duplicates Z: 49 26.141 1.950 0.538 0.535 0.917 0.604 CA 1.327 49 residues pruned to eliminate duplicates Z: 15 15.409 1.984 0.627 0.608 0.857 0.643 CB 1.343 15 residues pruned to eliminate duplicates Z: 28 26.662 2.018 0.895 0.481 0.963 0.519 CA 1.421 28 residues pruned to eliminate duplicates Z: 28 25.470 2.003 0.922 0.568 0.852 0.593 CB 1.400 28 residues pruned to eliminate duplicates Z: 36 31.977 2.010 0.922 0.584 0.914 0.600 CB 1.411 36 residues pruned to eliminate duplicates Z: 25 17.841 1.938 0.733 0.435 0.875 0.500 CB 1.326 25 residues pruned to eliminate duplicates Z: 16 11.350 1.890 0.414 0.526 0.867 0.600 CA 1.233 16 residues pruned to eliminate duplicates Z: 19 9.635 1.769 0.441 0.513 0.833 0.500 CA 1.056 19 residues pruned to eliminate duplicates Z: 21 17.926 1.906 0.588 0.609 0.950 0.700 CA 1.256 21 residues pruned to eliminate duplicates Z: 23 19.822 1.878 0.715 0.561 0.909 0.636 CA 1.361 23 residues pruned to eliminate duplicates Z: 37 14.386 1.754 0.488 0.420 0.833 0.500 CB 1.198 37 residues pruned to eliminate duplicates Z: 21 18.656 1.881 0.678 0.593 0.900 0.800 CA 1.344 21 residues pruned to eliminate duplicates Z: 23 15.717 1.859 0.496 0.526 0.909 0.545 CA 1.291 23 residues pruned to eliminate duplicates Z: 22 17.302 1.849 0.502 0.548 0.905 0.667 CB 1.433 22 residues pruned to eliminate duplicates Z: 20 14.177 1.871 0.612 0.563 0.895 0.684 CA 1.134 20 residues pruned to eliminate duplicates Z: 15 8.002 1.810 0.452 0.426 0.786 0.714 CA 1.118 15 residues pruned to eliminate duplicates Z: 57 22.316 2.005 0.519 0.363 0.893 0.571 CA 1.271 45 residues pruned to eliminate duplicates Z: 7 4.212 1.885 0.171 0.401 1.000 0.833 CA 0.864 469 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 6 D: 7 E: 6 F: 7 G: 67 H: 158 I: 7 J: 6 K: 18 L: 74 M: 99 CC for partial structure against native data = 30.57 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.412, Connect. = 0.696 for dens.mod. cycle 1 = 0.300, Contrast = 0.478, Connect. = 0.720 for dens.mod. cycle 2 = 0.301, Contrast = 0.559, Connect. = 0.756 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.579, Connect. = 0.768 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.39 - 3.47 - 3.02 - 2.74 - 2.54 - 2.39 - 2.26 - 2.16 - 2.08 - 2.00 0.709 0.731 0.716 0.674 0.652 0.668 0.645 0.616 0.605 0.583 0.868 0.890 0.891 0.844 0.818 0.841 0.875 0.852 0.764 0.716 N 5071 5015 5093 5032 5069 5009 5355 5091 4824 4827 Estimated mean FOM = 0.660 Pseudo-free CC = 68.87 % Best trace (cycle 1 with CC 38.18%) was saved as ./2ich-2.0-parrot-hancs/2ich-2.0-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 7.9 - FFTs and peak-searches 24.9 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 1779.1 - Tripeptide search 15747.8 - Chain tracing 0.0 - NCS analysis 50.0 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:20:23 Total time: 17611.30 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 295.15 Used memory is bytes: 25453168