null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:13:12 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: ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.ins Phases from ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.phi Native data from ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.hkl Listing output to ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.lst Phases output to ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.phs Poly-Ala trace output to ./2fur-1.8-parrot-hancs/2fur-1.8-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 38188 Reflections read from file ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.phi 38188 Reflections read from file ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.hkl 38188 Unique data, highest resolution = 1.801 Angstroms Anisotropic scaling: intensities multiplied by -0.000050h^2 +0.000152k^2 -0.000029l^2 +0.000000kl +0.000000hl +0.000000hk 80 Reflections with d > 2.001 and 0 in range 2.001 > d > 1.801 added Density sharpening factor set to 1.05 Fourier grid = 128 x 128 x 42 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|> = 0.635 ** -f missing ?? ** = 0.300, Contrast = 0.337, Connect. = 0.738 for dens.mod. cycle 1 = 0.300, Contrast = 0.400, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.489, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.530, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.541, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.548, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.791 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.793 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1752 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 430 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 13.965 2.023 0.685 0.470 0.833 0.417 CA 1.463 B: 8 8.032 2.077 0.508 0.479 0.714 0.429 CA 1.386 8 residues pruned to eliminate duplicates C: 13 26.980 1.955 0.859 0.917 1.000 0.750 CA 1.513 D: 10 13.750 2.012 1.009 0.523 0.889 0.778 CB 1.247 E: 12 20.462 2.043 0.566 0.871 1.000 0.545 CA 1.406 12 residues pruned to eliminate duplicates F: 53 39.105 2.035 0.938 0.611 0.904 0.615 CB 1.369 G: 9 18.888 2.117 1.043 0.622 0.875 0.750 CB 1.573 10 residues pruned to eliminate duplicates H: 21 29.192 2.069 0.744 0.648 1.000 0.750 CB 1.575 13 residues pruned to eliminate duplicates I: 45 28.590 2.022 0.698 0.450 0.909 0.455 CB 1.453 J: 14 14.188 1.987 0.497 0.562 0.846 0.538 CB 1.471 14 residues pruned to eliminate duplicates K: 11 14.652 2.002 1.006 0.483 0.800 0.600 CB 1.468 9 residues pruned to eliminate duplicates L: 45 33.384 2.079 0.940 0.517 0.909 0.682 CB 1.350 52 residues pruned to eliminate duplicates M: 18 29.989 2.100 0.660 0.892 1.000 0.706 CA 1.498 N: 48 27.830 2.038 0.657 0.500 0.936 0.426 CB 1.284 48 residues pruned to eliminate duplicates O: 17 28.341 2.143 0.732 0.886 0.875 0.875 CA 1.574 17 residues pruned to eliminate duplicates P: 17 33.850 2.112 0.988 0.919 0.938 0.688 CB 1.515 17 residues pruned to eliminate duplicates Q: 22 33.518 2.120 0.975 0.672 0.952 0.762 CB 1.564 R: 47 27.592 2.065 0.592 0.471 0.913 0.543 CB 1.396 47 residues pruned to eliminate duplicates S: 7 8.748 1.751 0.614 0.710 0.833 0.500 CB 1.253 7 residues pruned to eliminate duplicates T: 9 13.181 2.120 0.861 0.552 0.750 0.500 CB 1.498 11 residues pruned to eliminate duplicates U: 17 31.643 2.130 0.877 0.880 0.938 0.625 CB 1.529 17 residues pruned to eliminate duplicates V: 9 7.647 1.891 0.737 0.358 0.750 0.250 CA 1.279 W: 13 22.743 2.045 0.968 0.862 0.917 0.833 CB 1.306 13 residues pruned to eliminate duplicates X: 13 23.793 2.028 0.568 0.928 1.000 0.750 CA 1.513 13 residues pruned to eliminate duplicates Y: 12 26.389 2.115 0.813 0.892 1.000 1.000 CB 1.490 12 residues pruned to eliminate duplicates Z: 7 11.039 2.094 0.213 0.599 1.000 0.833 CB 1.614 Z: 104 48.338 2.103 0.713 0.539 0.922 0.612 CB 1.380 62 residues pruned to eliminate duplicates Z: 7 11.151 2.122 0.507 0.782 0.833 0.667 CA 1.332 Z: 41 28.752 2.089 0.708 0.448 0.925 0.550 CB 1.454 41 residues pruned to eliminate duplicates Z: 14 16.387 1.925 0.763 0.636 0.923 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 40 27.882 2.115 0.618 0.429 0.897 0.538 CB 1.565 41 residues pruned to eliminate duplicates Z: 17 28.820 2.106 0.693 0.917 0.938 0.750 CB 1.522 17 residues pruned to eliminate duplicates Z: 61 29.718 2.048 0.632 0.458 0.900 0.583 CB 1.331 56 residues pruned to eliminate duplicates Z: 25 18.671 2.099 0.753 0.456 0.833 0.542 CB 1.300 Z: 43 29.405 2.083 0.645 0.466 0.929 0.548 CB 1.476 43 residues pruned to eliminate duplicates Z: 18 36.084 2.190 0.855 0.838 1.000 0.824 CB 1.610 18 residues pruned to eliminate duplicates Z: 14 14.712 1.917 0.522 0.837 0.846 0.538 CB 1.236 14 residues pruned to eliminate duplicates Z: 43 32.370 2.134 0.807 0.575 0.881 0.667 CB 1.368 43 residues pruned to eliminate duplicates Z: 10 10.783 2.027 1.142 0.527 0.889 0.778 CB 0.907 10 residues pruned to eliminate duplicates Z: 12 14.297 1.882 0.753 0.637 0.818 0.636 CB 1.404 Z: 25 17.493 1.930 0.710 0.459 0.917 0.542 CB 1.231 26 residues pruned to eliminate duplicates Z: 11 17.057 2.077 0.865 0.455 1.000 0.800 CB 1.458 11 residues pruned to eliminate duplicates Z: 9 12.179 2.019 0.399 0.839 0.875 0.625 CA 1.301 8 residues pruned to eliminate duplicates Z: 17 20.931 1.945 0.575 0.886 0.875 0.688 CB 1.409 17 residues pruned to eliminate duplicates Z: 14 8.996 1.920 0.252 0.409 0.846 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 21 16.702 1.859 0.709 0.553 0.900 0.500 CB 1.240 20 residues pruned to eliminate duplicates Z: 58 46.372 2.086 0.851 0.630 0.965 0.667 CB 1.459 46 residues pruned to eliminate duplicates Z: 10 13.610 1.913 0.620 0.841 0.889 0.667 CB 1.229 8 residues pruned to eliminate duplicates Z: 12 27.870 2.102 0.884 0.934 1.000 1.000 CB 1.480 12 residues pruned to eliminate duplicates Z: 13 22.327 1.959 1.085 0.838 0.917 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 20 31.124 2.007 0.909 0.836 0.947 0.684 CA 1.472 17 residues pruned to eliminate duplicates Z: 9 10.873 2.094 1.136 0.507 0.750 0.625 CB 1.138 9 residues pruned to eliminate duplicates Z: 34 21.517 1.956 0.792 0.573 0.848 0.576 CB 1.175 34 residues pruned to eliminate duplicates Z: 85 51.206 2.110 0.753 0.578 0.976 0.667 CB 1.435 85 residues pruned to eliminate duplicates Z: 71 39.915 2.053 0.821 0.574 0.886 0.557 CB 1.341 71 residues pruned to eliminate duplicates Z: 22 33.923 2.122 1.052 0.642 0.952 0.762 CB 1.563 22 residues pruned to eliminate duplicates Z: 13 11.401 1.898 1.052 0.476 0.833 0.500 CB 1.039 13 residues pruned to eliminate duplicates Z: 12 24.489 2.054 0.721 0.903 1.000 0.636 CB 1.489 12 residues pruned to eliminate duplicates Z: 20 29.545 2.107 0.712 0.675 1.000 0.737 CB 1.598 21 residues pruned to eliminate duplicates Z: 18 14.386 1.875 0.403 0.495 0.882 0.706 CB 1.512 10 residues pruned to eliminate duplicates Z: 9 14.713 2.123 0.980 0.608 0.750 0.750 CB 1.490 9 residues pruned to eliminate duplicates Z: 31 16.493 1.872 0.662 0.466 0.867 0.467 CB 1.156 8 residues pruned to eliminate duplicates Z: 105 49.817 2.065 0.768 0.567 0.923 0.663 CB 1.358 105 residues pruned to eliminate duplicates Z: 28 28.288 2.031 0.814 0.601 0.926 0.667 CB 1.449 28 residues pruned to eliminate duplicates Z: 29 27.963 2.043 1.001 0.595 0.821 0.571 CB 1.437 29 residues pruned to eliminate duplicates Z: 12 9.960 1.846 0.723 0.554 0.727 0.636 CB 1.232 12 residues pruned to eliminate duplicates Z: 10 12.379 1.931 0.506 0.626 1.000 0.667 CA 1.261 10 residues pruned to eliminate duplicates Z: 9 22.427 2.126 0.760 0.699 1.000 0.625 CB 1.767 11 residues pruned to eliminate duplicates Z: 14 16.525 1.907 0.376 0.866 0.923 0.846 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 26.780 2.144 0.640 0.873 0.875 0.688 CA 1.585 17 residues pruned to eliminate duplicates Z: 17 30.415 2.003 0.909 0.881 1.000 0.688 CB 1.440 17 residues pruned to eliminate duplicates Z: 39 33.168 2.139 0.838 0.529 0.947 0.658 CB 1.403 39 residues pruned to eliminate duplicates Z: 7 10.410 2.041 0.475 0.585 0.833 0.500 CB 1.561 7 residues pruned to eliminate duplicates Z: 14 14.145 1.798 0.540 0.548 0.923 0.538 N 1.465 12 residues pruned to eliminate duplicates Z: 23 18.489 1.901 0.734 0.592 0.909 0.636 CB 1.204 23 residues pruned to eliminate duplicates Z: 34 20.553 1.809 0.320 0.598 1.000 0.636 CB 1.365 18 residues pruned to eliminate duplicates Z: 18 27.693 1.991 0.776 0.877 1.000 0.765 CA 1.379 18 residues pruned to eliminate duplicates Z: 11 24.152 2.150 0.683 0.929 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 9 16.085 1.833 0.755 0.683 1.000 0.625 CB 1.495 9 residues pruned to eliminate duplicates Z: 27 20.692 1.956 0.704 0.599 0.885 0.577 CB 1.252 27 residues pruned to eliminate duplicates Z: 17 30.340 2.011 0.954 0.891 1.000 0.750 CB 1.388 17 residues pruned to eliminate duplicates Z: 43 31.336 2.027 0.723 0.592 0.881 0.619 CB 1.439 49 residues pruned to eliminate duplicates Z: 17 27.876 2.010 0.754 0.949 0.938 0.688 CB 1.454 17 residues pruned to eliminate duplicates Z: 21 35.353 2.135 1.083 0.691 1.000 0.900 CB 1.493 23 residues pruned to eliminate duplicates Z: 17 32.645 2.143 0.977 0.884 0.938 0.688 CB 1.485 17 residues pruned to eliminate duplicates Z: 73 45.624 2.030 0.880 0.570 0.944 0.556 CB 1.394 56 residues pruned to eliminate duplicates Z: 13 23.816 2.015 0.687 0.915 1.000 0.833 CB 1.429 13 residues pruned to eliminate duplicates Z: 33 21.687 2.142 0.582 0.465 0.844 0.469 CB 1.389 33 residues pruned to eliminate duplicates Z: 61 37.953 2.077 0.792 0.525 0.867 0.650 CB 1.482 61 residues pruned to eliminate duplicates Z: 29 24.756 1.942 0.682 0.616 0.964 0.679 CB 1.331 29 residues pruned to eliminate duplicates Z: 18 26.437 2.020 0.806 0.825 1.000 0.471 CB 1.327 18 residues pruned to eliminate duplicates Z: 17 21.344 1.991 0.365 0.938 0.938 0.938 CB 1.456 17 residues pruned to eliminate duplicates Z: 12 17.099 2.035 0.583 0.540 0.909 0.909 CA 1.693 12 residues pruned to eliminate duplicates Z: 43 29.491 2.112 0.739 0.464 0.857 0.524 CB 1.500 43 residues pruned to eliminate duplicates Z: 8 14.971 1.828 0.766 0.796 1.000 0.571 CA 1.353 8 residues pruned to eliminate duplicates Z: 6 7.289 1.642 0.423 0.528 1.000 0.400 CA 1.357 6 residues pruned to eliminate duplicates Z: 16 19.205 2.060 0.289 0.942 1.000 0.733 CB 1.296 16 residues pruned to eliminate duplicates Z: 51 41.606 2.048 0.890 0.645 0.940 0.700 CB 1.413 51 residues pruned to eliminate duplicates Z: 9 5.274 1.719 0.154 0.491 0.875 0.625 CA 1.084 Z: 8 9.436 1.783 0.369 0.806 1.000 0.714 CA 1.119 8 residues pruned to eliminate duplicates Z: 126 53.216 2.071 0.697 0.555 0.888 0.584 CB 1.445 126 residues pruned to eliminate duplicates Z: 11 10.048 2.006 0.596 0.446 0.700 0.700 CA 1.498 9 residues pruned to eliminate duplicates Z: 22 19.823 2.070 0.683 0.499 0.857 0.619 CB 1.450 22 residues pruned to eliminate duplicates Z: 17 26.906 2.014 0.747 0.939 0.938 0.562 CB 1.417 17 residues pruned to eliminate duplicates Z: 43 27.304 2.005 0.682 0.500 0.952 0.548 CB 1.312 43 residues pruned to eliminate duplicates Z: 8 8.710 1.788 0.530 0.593 0.857 0.571 CB 1.284 8 residues pruned to eliminate duplicates Z: 28 23.133 2.114 0.630 0.458 0.889 0.593 CB 1.518 28 residues pruned to eliminate duplicates Z: 12 9.761 1.788 0.629 0.605 0.727 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 12 12.576 1.867 0.362 0.539 0.909 0.727 CB 1.578 12 residues pruned to eliminate duplicates Z: 31 21.313 1.976 0.734 0.589 0.933 0.700 CB 1.117 31 residues pruned to eliminate duplicates Z: 11 12.082 1.842 0.512 0.533 0.800 0.700 CA 1.661 11 residues pruned to eliminate duplicates Z: 8 12.112 1.829 0.526 0.838 0.857 0.571 CB 1.431 8 residues pruned to eliminate duplicates Z: 48 33.101 2.059 0.828 0.510 0.915 0.638 CB 1.388 48 residues pruned to eliminate duplicates Z: 12 16.055 1.978 0.876 0.613 0.909 0.545 CA 1.289 12 residues pruned to eliminate duplicates Z: 13 18.063 1.980 0.393 0.911 1.000 0.917 CA 1.340 13 residues pruned to eliminate duplicates Z: 12 30.661 2.121 1.133 0.933 1.000 0.909 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 13.003 2.066 0.962 0.487 0.818 0.545 CB 1.197 12 residues pruned to eliminate duplicates Z: 16 22.214 2.061 0.391 0.947 1.000 0.733 CB 1.383 16 residues pruned to eliminate duplicates Z: 24 12.632 1.927 0.416 0.369 0.870 0.478 CB 1.278 24 residues pruned to eliminate duplicates Z: 30 24.394 2.021 0.820 0.556 0.862 0.690 CB 1.352 30 residues pruned to eliminate duplicates Z: 52 40.152 2.048 0.860 0.635 0.902 0.608 CB 1.442 52 residues pruned to eliminate duplicates Z: 28 24.049 2.106 0.676 0.424 0.963 0.556 CB 1.474 28 residues pruned to eliminate duplicates Z: 13 27.871 2.108 0.824 0.842 1.000 0.667 CB 1.560 13 residues pruned to eliminate duplicates Z: 16 17.942 1.970 0.833 0.504 0.933 0.600 CA 1.369 16 residues pruned to eliminate duplicates Z: 43 22.900 1.936 0.699 0.497 0.881 0.571 CB 1.224 43 residues pruned to eliminate duplicates Z: 11 12.117 1.577 0.897 0.749 1.000 0.600 CA 1.025 11 residues pruned to eliminate duplicates Z: 9 6.187 1.698 0.310 0.710 0.750 0.625 CB 1.084 9 residues pruned to eliminate duplicates Z: 107 53.050 2.056 0.869 0.572 0.906 0.651 CB 1.381 107 residues pruned to eliminate duplicates Z: 23 27.841 2.061 0.775 0.688 0.955 0.864 CB 1.431 23 residues pruned to eliminate duplicates Z: 8 5.772 1.680 0.310 0.646 0.714 0.714 CA 1.211 8 residues pruned to eliminate duplicates Z: 76 38.414 2.008 0.771 0.538 0.920 0.680 CB 1.306 76 residues pruned to eliminate duplicates Z: 91 53.543 2.101 0.767 0.600 0.967 0.667 CB 1.429 91 residues pruned to eliminate duplicates Z: 20 13.077 1.893 0.506 0.446 0.789 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 48 41.361 2.096 0.952 0.648 0.936 0.660 CB 1.373 48 residues pruned to eliminate duplicates Z: 66 44.649 2.087 0.766 0.579 0.954 0.554 CB 1.461 66 residues pruned to eliminate duplicates Z: 37 23.582 1.937 0.646 0.597 0.861 0.639 CB 1.306 37 residues pruned to eliminate duplicates Z: 29 15.797 1.910 0.538 0.490 0.893 0.607 CB 1.150 29 residues pruned to eliminate duplicates Z: 22 25.684 1.993 0.789 0.624 0.952 0.857 CB 1.469 21 residues pruned to eliminate duplicates Z: 21 15.235 2.043 0.678 0.250 0.950 0.450 CB 1.394 21 residues pruned to eliminate duplicates Z: 9 8.805 1.512 1.063 0.505 0.875 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 12 28.591 2.116 1.086 0.938 1.000 0.909 CB 1.358 12 residues pruned to eliminate duplicates Z: 20 25.411 2.170 0.716 0.495 1.000 0.526 CB 1.573 20 residues pruned to eliminate duplicates Z: 18 28.763 2.089 0.669 0.880 1.000 0.765 CA 1.449 18 residues pruned to eliminate duplicates Z: 57 30.935 2.073 0.709 0.508 0.875 0.607 CB 1.323 57 residues pruned to eliminate duplicates Z: 21 37.139 2.117 1.109 0.666 1.000 0.800 CB 1.595 21 residues pruned to eliminate duplicates Z: 15 13.365 1.879 0.527 0.482 0.857 0.786 CB 1.479 14 residues pruned to eliminate duplicates Z: 11 20.768 2.039 1.038 0.899 0.800 0.200 CB 1.412 11 residues pruned to eliminate duplicates Z: 7 3.533 1.562 0.164 0.588 0.667 0.167 CB 1.093 7 residues pruned to eliminate duplicates Z: 12 25.850 2.102 0.794 0.919 1.000 0.636 CB 1.456 12 residues pruned to eliminate duplicates Z: 13 18.064 1.957 0.799 0.527 0.833 0.667 CA 1.731 13 residues pruned to eliminate duplicates Z: 48 39.309 2.064 0.884 0.652 0.936 0.745 CB 1.367 48 residues pruned to eliminate duplicates Z: 7 7.252 1.814 -0.003 0.690 1.000 0.667 CB 1.376 7 residues pruned to eliminate duplicates Z: 35 18.229 1.892 0.764 0.399 0.824 0.500 CB 1.265 35 residues pruned to eliminate duplicates Z: 10 16.686 2.168 0.614 0.613 0.889 0.778 CA 1.607 10 residues pruned to eliminate duplicates Z: 12 9.809 1.791 0.551 0.394 0.818 0.636 CB 1.455 12 residues pruned to eliminate duplicates Z: 9 11.190 1.711 0.642 0.788 0.875 0.625 CA 1.249 9 residues pruned to eliminate duplicates Z: 13 11.740 1.976 0.831 0.371 0.750 0.500 CB 1.433 9 residues pruned to eliminate duplicates Z: 80 43.698 2.055 0.631 0.564 0.962 0.658 CB 1.433 77 residues pruned to eliminate duplicates Z: 17 17.830 1.954 0.272 0.946 1.000 0.938 CB 1.239 17 residues pruned to eliminate duplicates Z: 15 9.239 1.957 0.331 0.393 0.857 0.500 CB 1.238 15 residues pruned to eliminate duplicates Z: 11 14.877 1.916 0.546 0.610 1.000 0.800 CA 1.430 8 residues pruned to eliminate duplicates Z: 11 12.738 2.048 0.312 0.458 1.000 0.500 CB 1.564 11 residues pruned to eliminate duplicates Z: 15 11.176 1.893 0.740 0.321 1.000 0.357 CB 1.105 15 residues pruned to eliminate duplicates Z: 16 34.245 2.170 1.022 0.949 0.933 0.600 CB 1.491 16 residues pruned to eliminate duplicates Z: 28 27.179 2.074 0.612 0.471 1.000 0.519 CB 1.612 25 residues pruned to eliminate duplicates Z: 14 17.070 1.901 0.486 0.831 0.923 0.615 CA 1.364 14 residues pruned to eliminate duplicates Z: 9 17.247 2.073 0.633 0.841 1.000 0.875 CB 1.344 9 residues pruned to eliminate duplicates Z: 8 9.286 2.051 0.605 0.351 0.857 0.857 CB 1.461 8 residues pruned to eliminate duplicates Z: 51 37.421 2.082 0.737 0.638 0.900 0.680 CB 1.430 51 residues pruned to eliminate duplicates Z: 16 17.028 2.028 0.087 0.926 1.000 0.933 CB 1.399 16 residues pruned to eliminate duplicates Z: 11 14.437 2.006 0.785 0.491 0.900 0.700 CB 1.430 11 residues pruned to eliminate duplicates Z: 7 5.620 1.803 0.178 0.536 0.833 0.833 CA 1.252 7 residues pruned to eliminate duplicates Z: 50 26.851 1.988 0.675 0.482 0.918 0.449 CB 1.278 50 residues pruned to eliminate duplicates Z: 51 40.323 2.058 0.862 0.635 0.940 0.720 CB 1.394 51 residues pruned to eliminate duplicates Z: 6 8.977 1.725 1.045 0.559 0.800 0.600 CB 1.344 6 residues pruned to eliminate duplicates Z: 14 13.062 1.787 0.299 0.856 0.923 0.692 CB 1.246 14 residues pruned to eliminate duplicates Z: 13 8.812 1.964 0.460 0.361 0.833 0.500 CB 1.236 13 residues pruned to eliminate duplicates Z: 35 33.491 2.019 0.765 0.606 0.941 0.735 CB 1.549 34 residues pruned to eliminate duplicates Z: 12 10.852 1.872 0.967 0.576 0.727 0.636 CB 1.135 12 residues pruned to eliminate duplicates Z: 39 31.409 2.132 0.766 0.477 0.947 0.605 CB 1.461 39 residues pruned to eliminate duplicates Z: 6 14.992 2.104 0.697 0.818 1.000 0.800 CB 1.424 6 residues pruned to eliminate duplicates Z: 11 18.580 2.108 0.701 0.689 1.000 0.900 CA 1.378 11 residues pruned to eliminate duplicates Z: 17 37.051 2.152 1.000 0.889 1.000 0.625 CB 1.550 17 residues pruned to eliminate duplicates Z: 11 17.602 2.025 0.781 0.677 0.900 0.800 CA 1.457 11 residues pruned to eliminate duplicates Z: 6 4.714 1.523 0.732 0.402 0.800 0.400 C 1.108 Z: 37 36.173 2.013 0.756 0.651 0.972 0.528 CB 1.525 37 residues pruned to eliminate duplicates Z: 35 17.962 2.011 0.807 0.448 0.794 0.676 CB 1.126 28 residues pruned to eliminate duplicates Z: 72 39.744 2.075 0.642 0.520 0.901 0.563 CB 1.506 72 residues pruned to eliminate duplicates Z: 37 18.791 1.834 0.678 0.486 0.833 0.417 CB 1.238 38 residues pruned to eliminate duplicates Z: 17 27.405 2.022 0.976 0.844 0.938 0.438 CB 1.361 17 residues pruned to eliminate duplicates Z: 14 17.007 1.882 0.428 0.869 0.923 0.846 CB 1.389 14 residues pruned to eliminate duplicates Z: 47 34.697 2.035 0.819 0.517 0.978 0.587 CB 1.389 47 residues pruned to eliminate duplicates Z: 7 11.837 2.070 0.574 0.825 0.833 0.667 CA 1.344 7 residues pruned to eliminate duplicates Z: 6 8.371 2.067 0.446 0.861 1.000 0.600 CB 0.920 6 residues pruned to eliminate duplicates Z: 13 9.535 1.824 0.600 0.558 0.833 0.583 CB 1.069 13 residues pruned to eliminate duplicates Z: 42 24.613 2.003 0.733 0.509 0.878 0.585 CB 1.250 42 residues pruned to eliminate duplicates Z: 10 11.988 1.947 0.266 0.880 0.889 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 18 15.218 1.970 0.628 0.446 0.882 0.471 CB 1.379 18 residues pruned to eliminate duplicates Z: 7 8.580 1.949 0.490 0.595 0.833 0.833 CA 1.322 7 residues pruned to eliminate duplicates Z: 13 9.646 1.892 0.570 0.483 0.917 0.667 CB 1.040 13 residues pruned to eliminate duplicates Z: 17 25.142 1.981 0.719 0.908 0.938 0.562 CB 1.398 17 residues pruned to eliminate duplicates Z: 12 10.374 1.771 0.596 0.586 0.818 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 22 20.925 1.987 0.644 0.580 0.905 0.762 CB 1.431 23 residues pruned to eliminate duplicates Z: 51 42.019 2.059 0.864 0.643 0.940 0.660 CB 1.441 51 residues pruned to eliminate duplicates Z: 13 22.419 1.986 0.655 0.918 1.000 0.917 CA 1.389 12 residues pruned to eliminate duplicates Z: 12 8.408 1.795 0.474 0.456 0.818 0.818 CB 1.226 12 residues pruned to eliminate duplicates Z: 10 8.033 1.710 0.268 0.613 0.889 0.556 O 1.249 10 residues pruned to eliminate duplicates Z: 13 26.591 2.069 0.918 0.800 1.000 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 12 13.295 1.882 0.575 0.563 0.818 0.727 CA 1.555 12 residues pruned to eliminate duplicates Z: 11 3.187 1.444 0.107 0.404 0.700 0.300 CB 0.997 11 residues pruned to eliminate duplicates Z: 9 20.073 2.072 0.734 0.788 1.000 0.875 CB 1.534 9 residues pruned to eliminate duplicates Z: 6 2.435 1.599 0.101 0.303 0.800 0.800 CB 0.963 Z: 15 11.548 1.792 0.746 0.414 0.786 0.571 CA 1.374 15 residues pruned to eliminate duplicates Z: 40 27.802 2.114 0.640 0.467 0.923 0.564 CB 1.439 40 residues pruned to eliminate duplicates Z: 14 7.689 1.649 -0.047 0.658 0.846 0.615 CB 1.386 Z: 39 28.854 1.925 0.650 0.611 0.921 0.658 CB 1.440 39 residues pruned to eliminate duplicates Z: 7 4.765 1.910 0.207 0.400 0.833 0.667 CA 1.125 7 residues pruned to eliminate duplicates Z: 11 3.401 1.617 -0.098 0.340 0.900 0.500 CB 0.975 Z: 8 11.788 1.957 0.801 0.884 1.000 0.857 CB 0.914 8 residues pruned to eliminate duplicates Z: 10 25.081 2.223 1.211 0.528 1.000 0.778 CB 1.655 10 residues pruned to eliminate duplicates Z: 9 13.543 2.096 0.878 0.601 0.750 0.750 CB 1.473 9 residues pruned to eliminate duplicates Z: 35 20.865 2.073 0.578 0.395 0.824 0.529 CB 1.484 35 residues pruned to eliminate duplicates Z: 10 6.643 1.818 0.341 0.402 1.000 0.444 CB 1.007 10 residues pruned to eliminate duplicates Z: 14 13.767 1.892 0.805 0.430 0.846 0.462 CA 1.420 14 residues pruned to eliminate duplicates Z: 9 10.383 1.727 0.533 0.808 0.875 0.375 CA 1.211 9 residues pruned to eliminate duplicates Z: 16 6.006 1.587 0.231 0.372 0.733 0.533 CB 1.241 16 residues pruned to eliminate duplicates Z: 52 40.126 2.020 0.910 0.656 0.922 0.667 CB 1.368 52 residues pruned to eliminate duplicates Z: 37 26.081 1.930 0.660 0.607 0.917 0.639 CB 1.336 37 residues pruned to eliminate duplicates Z: 8 12.078 1.576 0.923 0.812 1.000 1.000 CB 1.148 8 residues pruned to eliminate duplicates Z: 57 39.230 2.057 0.787 0.606 0.911 0.554 CB 1.416 57 residues pruned to eliminate duplicates Z: 17 22.512 1.965 0.523 0.861 1.000 0.938 CB 1.382 17 residues pruned to eliminate duplicates Z: 41 26.635 1.875 0.721 0.649 0.900 0.600 CB 1.262 41 residues pruned to eliminate duplicates Z: 9 12.846 1.965 0.490 0.520 1.000 0.625 CA 1.522 9 residues pruned to eliminate duplicates Z: 8 4.226 1.449 0.119 0.657 0.857 0.429 CB 0.994 Z: 10 6.025 1.716 -0.120 0.713 0.889 0.333 C 1.234 10 residues pruned to eliminate duplicates Z: 33 23.007 1.974 0.649 0.570 0.938 0.719 CB 1.246 33 residues pruned to eliminate duplicates Z: 36 34.188 2.082 0.776 0.604 0.914 0.686 CB 1.549 36 residues pruned to eliminate duplicates Z: 20 30.245 2.094 0.797 0.682 1.000 0.895 CB 1.561 20 residues pruned to eliminate duplicates Z: 15 9.169 1.834 0.105 0.486 0.857 0.571 CA 1.430 15 residues pruned to eliminate duplicates Z: 26 13.740 1.954 0.457 0.398 0.880 0.560 CB 1.222 26 residues pruned to eliminate duplicates Z: 41 29.257 1.892 0.722 0.648 0.950 0.525 CB 1.302 41 residues pruned to eliminate duplicates Z: 27 15.684 1.896 0.520 0.552 0.885 0.538 CB 1.147 27 residues pruned to eliminate duplicates Z: 20 40.726 2.214 1.145 0.701 1.000 0.789 CB 1.639 21 residues pruned to eliminate duplicates Z: 14 15.081 1.824 0.826 0.588 0.923 0.692 CB 1.251 14 residues pruned to eliminate duplicates Z: 48 30.610 1.901 0.667 0.606 0.915 0.660 CB 1.391 48 residues pruned to eliminate duplicates Z: 13 19.652 1.970 0.519 0.930 1.000 0.833 CA 1.327 13 residues pruned to eliminate duplicates Z: 9 11.593 2.055 0.586 0.410 0.875 0.750 CB 1.580 9 residues pruned to eliminate duplicates Z: 42 21.228 1.908 0.600 0.400 0.878 0.488 CB 1.374 61 residues pruned to eliminate duplicates Z: 36 28.949 2.101 0.767 0.485 0.943 0.686 CB 1.420 36 residues pruned to eliminate duplicates Z: 17 9.729 1.888 0.733 0.286 0.875 0.500 CB 1.081 17 residues pruned to eliminate duplicates Z: 18 10.995 1.826 0.383 0.482 0.882 0.471 CB 1.219 18 residues pruned to eliminate duplicates Z: 9 18.335 2.006 1.025 0.670 0.875 0.875 CB 1.558 9 residues pruned to eliminate duplicates Z: 40 32.632 2.138 0.664 0.524 0.949 0.641 CB 1.512 40 residues pruned to eliminate duplicates Z: 9 5.510 1.785 -0.367 0.717 1.000 0.625 CB 1.417 Z: 6 10.365 2.070 0.561 0.869 1.000 0.800 CB 1.047 6 residues pruned to eliminate duplicates Z: 40 23.519 1.986 0.645 0.502 0.872 0.667 CB 1.319 40 residues pruned to eliminate duplicates Z: 12 21.530 2.120 0.941 0.650 1.000 0.818 CA 1.371 12 residues pruned to eliminate duplicates Z: 13 14.419 1.850 0.597 0.577 1.000 0.667 CB 1.308 15 residues pruned to eliminate duplicates Z: 6 6.811 1.936 0.393 0.343 1.000 0.600 CB 1.340 6 residues pruned to eliminate duplicates Z: 21 17.768 1.907 0.676 0.594 0.950 0.600 CB 1.196 20 residues pruned to eliminate duplicates Z: 8 9.845 1.525 0.638 0.668 1.000 0.857 O 1.275 Z: 6 9.291 1.669 0.519 0.821 1.000 0.800 CA 1.241 6 residues pruned to eliminate duplicates Z: 15 8.478 1.711 0.155 0.465 0.929 0.357 CB 1.280 15 residues pruned to eliminate duplicates Z: 8 6.299 1.514 0.812 0.627 0.857 0.429 N 0.898 Z: 46 42.673 2.057 0.890 0.671 0.933 0.667 CB 1.497 46 residues pruned to eliminate duplicates Z: 59 46.456 2.079 0.893 0.656 0.931 0.672 CB 1.440 59 residues pruned to eliminate duplicates Z: 24 12.837 1.886 0.700 0.274 0.870 0.348 CB 1.240 24 residues pruned to eliminate duplicates Z: 11 20.095 2.035 1.148 0.551 1.000 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 73 40.533 2.060 0.702 0.540 0.889 0.583 CB 1.473 73 residues pruned to eliminate duplicates Z: 11 20.648 1.969 0.625 0.929 1.000 0.300 CB 1.428 11 residues pruned to eliminate duplicates Z: 12 20.759 2.037 0.529 0.918 1.000 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 33 26.500 1.956 0.919 0.457 0.938 0.594 CB 1.391 33 residues pruned to eliminate duplicates Z: 8 7.889 1.627 0.534 0.844 1.000 0.571 CB 0.889 8 residues pruned to eliminate duplicates Z: 14 17.371 1.891 0.300 0.937 1.000 1.000 CA 1.364 14 residues pruned to eliminate duplicates Z: 61 37.272 2.091 0.822 0.537 0.900 0.600 CB 1.354 61 residues pruned to eliminate duplicates Z: 15 14.907 2.142 0.487 0.436 0.857 0.571 CA 1.560 15 residues pruned to eliminate duplicates Z: 83 52.045 2.103 0.816 0.583 0.939 0.598 CB 1.479 83 residues pruned to eliminate duplicates Z: 9 3.799 1.450 0.519 0.238 0.750 0.375 CB 1.101 Z: 8 5.221 1.686 0.769 0.899 1.000 0.857 CB 0.473 8 residues pruned to eliminate duplicates Z: 16 6.264 1.771 0.385 0.314 0.800 0.400 CB 1.012 16 residues pruned to eliminate duplicates Z: 16 11.391 1.815 0.564 0.499 0.800 0.533 CB 1.297 16 residues pruned to eliminate duplicates Z: 7 12.509 1.999 1.084 0.508 1.000 0.833 CA 1.217 7 residues pruned to eliminate duplicates Z: 13 13.974 2.037 0.550 0.497 0.833 0.833 CB 1.538 13 residues pruned to eliminate duplicates Z: 9 11.579 1.733 0.617 0.858 1.000 0.750 CA 1.076 9 residues pruned to eliminate duplicates Z: 18 26.482 2.106 0.709 0.642 1.000 0.824 CB 1.562 18 residues pruned to eliminate duplicates Z: 13 14.891 1.814 0.736 0.676 0.833 0.667 CA 1.392 13 residues pruned to eliminate duplicates Z: 53 33.518 1.984 0.926 0.589 0.865 0.596 CB 1.291 53 residues pruned to eliminate duplicates Z: 12 12.588 1.983 0.452 0.516 0.909 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 105 52.057 2.077 0.842 0.566 0.923 0.596 CB 1.357 105 residues pruned to eliminate duplicates Z: 6 6.647 1.773 0.458 0.884 1.000 1.000 CB 0.830 6 residues pruned to eliminate duplicates Z: 17 18.570 1.959 0.301 0.927 0.938 0.875 CB 1.361 17 residues pruned to eliminate duplicates Z: 16 24.350 1.944 0.886 0.921 0.867 0.467 CB 1.393 16 residues pruned to eliminate duplicates Z: 17 28.034 2.065 0.590 0.936 1.000 0.938 CA 1.486 17 residues pruned to eliminate duplicates Z: 11 20.858 2.152 0.593 0.623 1.000 0.900 CB 1.714 11 residues pruned to eliminate duplicates Z: 15 9.472 1.830 0.399 0.448 0.857 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 12 13.941 1.860 0.488 0.622 0.818 0.636 CB 1.655 12 residues pruned to eliminate duplicates Z: 23 19.957 2.038 0.566 0.423 0.955 0.591 CA 1.513 23 residues pruned to eliminate duplicates Z: 22 11.397 1.931 0.617 0.328 0.857 0.429 CB 1.122 22 residues pruned to eliminate duplicates Z: 7 9.661 1.818 0.197 0.664 1.000 1.000 C 1.557 7 residues pruned to eliminate duplicates Z: 7 3.638 1.404 0.216 0.517 0.833 0.667 CB 1.027 Z: 105 53.260 2.075 0.733 0.581 0.952 0.683 CB 1.410 105 residues pruned to eliminate duplicates Z: 7 7.084 1.570 0.867 0.653 0.833 0.333 CB 1.027 7 residues pruned to eliminate duplicates Z: 35 29.543 2.125 0.711 0.463 0.941 0.559 CB 1.538 35 residues pruned to eliminate duplicates Z: 13 11.860 1.649 0.774 0.780 0.917 0.583 N 0.997 Z: 14 12.483 1.888 0.625 0.453 0.846 0.769 CB 1.400 14 residues pruned to eliminate duplicates Z: 7 10.708 1.999 0.662 0.836 1.000 0.833 CB 0.985 7 residues pruned to eliminate duplicates Z: 18 17.242 2.113 0.461 0.570 0.882 0.588 CB 1.435 18 residues pruned to eliminate duplicates Z: 12 6.997 1.811 0.820 0.223 0.909 0.364 CB 0.974 12 residues pruned to eliminate duplicates Z: 21 27.846 2.017 0.673 0.705 1.000 0.900 CA 1.531 21 residues pruned to eliminate duplicates Z: 30 16.923 1.881 0.715 0.461 0.828 0.517 CB 1.225 24 residues pruned to eliminate duplicates Z: 11 12.416 1.966 0.732 0.527 0.900 0.800 CB 1.247 11 residues pruned to eliminate duplicates Z: 7 3.353 1.454 -0.053 0.577 0.833 0.333 C 1.108 Z: 8 10.153 1.739 0.258 0.834 1.000 0.714 CB 1.315 8 residues pruned to eliminate duplicates Z: 14 17.432 1.883 1.178 0.509 0.923 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 6 7.184 1.633 0.922 0.681 1.000 0.600 CB 0.867 6 residues pruned to eliminate duplicates Z: 22 16.291 1.786 0.496 0.576 0.905 0.667 CB 1.366 22 residues pruned to eliminate duplicates Z: 9 10.590 1.939 0.504 0.676 0.875 0.625 CB 1.248 9 residues pruned to eliminate duplicates Z: 58 31.308 1.939 0.539 0.604 0.930 0.596 CB 1.354 58 residues pruned to eliminate duplicates Z: 10 6.688 1.602 0.544 0.615 1.000 0.667 CB 0.808 Z: 9 7.061 1.785 0.192 0.861 0.750 0.625 CA 1.149 9 residues pruned to eliminate duplicates Z: 20 20.797 1.957 0.637 0.603 0.947 0.579 CB 1.425 20 residues pruned to eliminate duplicates Z: 16 15.009 1.791 0.896 0.521 0.867 0.600 CA 1.289 16 residues pruned to eliminate duplicates Z: 31 24.092 1.794 0.677 0.630 0.933 0.533 CB 1.387 31 residues pruned to eliminate duplicates Z: 14 12.110 1.867 0.719 0.358 0.923 0.538 CA 1.321 14 residues pruned to eliminate duplicates Z: 7 4.562 1.583 0.277 0.804 0.667 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 18 12.249 1.932 0.651 0.428 0.882 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 35 21.742 1.874 0.510 0.614 0.941 0.618 CB 1.257 35 residues pruned to eliminate duplicates Z: 70 37.515 2.052 0.790 0.517 0.913 0.638 CB 1.325 70 residues pruned to eliminate duplicates Z: 30 24.376 1.872 0.752 0.672 0.931 0.690 CB 1.266 30 residues pruned to eliminate duplicates Z: 44 28.130 1.989 0.786 0.483 0.907 0.535 CB 1.355 44 residues pruned to eliminate duplicates Z: 6 4.655 1.674 0.559 0.312 0.800 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 25 18.589 2.033 0.562 0.407 0.917 0.542 CB 1.437 25 residues pruned to eliminate duplicates Z: 28 29.418 1.990 0.798 0.646 0.926 0.741 CB 1.491 28 residues pruned to eliminate duplicates Z: 12 5.528 1.582 0.039 0.407 0.909 0.636 C 1.230 7 residues pruned to eliminate duplicates Z: 33 28.204 2.007 0.550 0.657 0.969 0.750 CB 1.429 33 residues pruned to eliminate duplicates Z: 6 2.524 1.417 0.384 0.524 0.800 0.800 CB 0.703 Z: 18 10.459 1.948 0.621 0.326 0.765 0.647 CB 1.272 18 residues pruned to eliminate duplicates Z: 12 13.976 1.762 0.550 0.623 1.000 0.455 CB 1.375 12 residues pruned to eliminate duplicates Z: 16 7.525 1.759 0.278 0.428 0.933 0.533 CB 0.998 16 residues pruned to eliminate duplicates 362 residues left after pruning, divided into chains as follows: A: 35 B: 98 C: 21 D: 188 E: 20 CC for partial structure against native data = 41.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.396, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.540, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.547, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.556, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.560, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.565, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.568, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.571, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.572, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1823 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 436 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 62 27.856 2.064 0.546 0.493 0.852 0.541 CB 1.321 B: 50 32.438 2.193 0.591 0.453 0.898 0.531 CB 1.552 C: 72 50.685 2.226 0.778 0.538 0.887 0.648 CB 1.650 50 residues pruned to eliminate duplicates D: 32 19.850 1.973 0.674 0.454 0.806 0.581 CB 1.403 32 residues pruned to eliminate duplicates E: 14 21.863 1.949 0.778 0.885 0.923 0.615 CB 1.369 F: 10 12.485 2.050 0.539 0.496 0.889 0.778 CB 1.490 12 residues pruned to eliminate duplicates G: 18 32.310 2.132 0.687 0.930 0.941 0.824 CA 1.618 H: 23 12.365 1.914 0.503 0.387 0.864 0.682 CB 1.196 10 residues pruned to eliminate duplicates I: 12 21.330 2.191 1.052 0.486 1.000 0.909 CB 1.450 4 residues pruned to eliminate duplicates J: 17 27.672 2.257 0.383 0.882 0.938 0.812 CA 1.711 17 residues pruned to eliminate duplicates K: 22 15.454 2.018 0.346 0.673 0.857 0.476 CB 1.235 22 residues pruned to eliminate duplicates L: 62 48.797 2.178 0.778 0.546 0.934 0.656 CB 1.650 62 residues pruned to eliminate duplicates M: 22 24.692 2.081 0.458 0.599 1.000 0.810 CA 1.617 22 residues pruned to eliminate duplicates N: 12 22.954 2.121 0.534 0.897 1.000 0.727 CA 1.523 12 residues pruned to eliminate duplicates O: 27 26.491 2.221 0.559 0.481 0.962 0.500 CB 1.591 28 residues pruned to eliminate duplicates P: 16 36.294 2.324 0.689 0.943 0.933 0.667 CB 1.773 17 residues pruned to eliminate duplicates Q: 49 36.026 2.189 0.612 0.495 0.938 0.562 CB 1.579 49 residues pruned to eliminate duplicates R: 82 39.974 2.189 0.612 0.475 0.877 0.568 CB 1.473 82 residues pruned to eliminate duplicates S: 14 22.614 1.992 0.790 0.856 1.000 0.769 CA 1.297 14 residues pruned to eliminate duplicates T: 17 32.120 2.062 0.942 0.925 1.000 0.438 CB 1.408 U: 17 35.451 2.131 0.977 0.885 0.938 0.562 CB 1.620 17 residues pruned to eliminate duplicates V: 16 39.260 2.240 0.858 0.912 1.000 0.800 CA 1.724 17 residues pruned to eliminate duplicates W: 17 36.956 2.261 0.885 0.889 0.938 0.750 CB 1.665 17 residues pruned to eliminate duplicates X: 57 42.394 2.227 0.757 0.500 0.929 0.536 CB 1.559 48 residues pruned to eliminate duplicates Y: 7 15.939 1.960 0.750 0.818 1.000 0.833 CB 1.439 Z: 16 28.582 2.325 0.319 0.936 0.933 0.933 CA 1.796 16 residues pruned to eliminate duplicates Z: 18 22.324 2.174 0.296 0.893 0.882 0.824 CA 1.563 18 residues pruned to eliminate duplicates Z: 17 31.112 2.135 0.786 0.684 1.000 0.875 CB 1.723 Z: 11 19.744 2.188 0.509 0.585 1.000 0.800 CB 1.744 Z: 12 24.265 2.137 0.531 0.912 1.000 0.727 CB 1.584 12 residues pruned to eliminate duplicates Z: 17 34.160 2.220 0.650 0.915 0.938 0.750 CA 1.758 16 residues pruned to eliminate duplicates Z: 9 16.927 2.223 0.716 0.551 0.875 0.875 CB 1.706 9 residues pruned to eliminate duplicates Z: 13 10.499 1.948 0.317 0.564 0.750 0.583 CB 1.481 Z: 58 40.996 2.218 0.719 0.492 0.930 0.596 CB 1.544 58 residues pruned to eliminate duplicates Z: 97 59.710 2.190 0.766 0.628 0.948 0.667 CB 1.473 98 residues pruned to eliminate duplicates Z: 10 16.285 2.118 0.714 0.572 0.889 0.778 CB 1.568 10 residues pruned to eliminate duplicates Z: 15 25.727 2.277 0.339 0.914 0.929 0.857 CA 1.717 15 residues pruned to eliminate duplicates Z: 16 37.001 2.336 0.726 0.924 0.933 0.867 CB 1.783 16 residues pruned to eliminate duplicates Z: 81 44.092 2.111 0.619 0.563 0.925 0.538 CB 1.467 65 residues pruned to eliminate duplicates Z: 12 21.483 2.160 0.398 0.918 0.909 0.636 CB 1.665 12 residues pruned to eliminate duplicates Z: 12 16.901 2.163 0.821 0.502 0.818 0.636 CB 1.579 12 residues pruned to eliminate duplicates Z: 74 46.270 2.147 0.753 0.533 0.918 0.575 CB 1.517 74 residues pruned to eliminate duplicates Z: 9 10.703 2.074 0.465 0.763 0.750 0.625 CA 1.316 Z: 11 11.176 2.009 0.682 0.498 0.800 0.600 CB 1.310 11 residues pruned to eliminate duplicates Z: 33 26.836 2.190 0.593 0.355 0.938 0.469 CB 1.696 33 residues pruned to eliminate duplicates Z: 9 13.908 2.131 0.429 0.808 1.000 0.500 CA 1.235 9 residues pruned to eliminate duplicates Z: 21 33.130 2.134 0.822 0.662 0.950 0.850 CA 1.726 21 residues pruned to eliminate duplicates Z: 13 20.892 2.092 0.343 0.945 1.000 0.833 CA 1.485 13 residues pruned to eliminate duplicates Z: 81 54.997 2.209 0.802 0.564 0.950 0.663 CB 1.528 80 residues pruned to eliminate duplicates Z: 19 19.253 2.019 0.612 0.613 0.944 0.500 CB 1.327 19 residues pruned to eliminate duplicates Z: 12 7.357 1.874 0.617 0.325 0.636 0.364 CB 1.393 Z: 7 10.229 1.915 0.889 0.362 1.000 0.333 N 1.339 7 residues pruned to eliminate duplicates Z: 13 10.603 1.862 0.651 0.543 0.917 0.750 CB 1.042 6 residues pruned to eliminate duplicates Z: 26 16.846 1.870 0.532 0.644 0.960 0.760 CB 1.071 26 residues pruned to eliminate duplicates Z: 35 34.190 2.130 0.747 0.554 0.941 0.765 CB 1.588 30 residues pruned to eliminate duplicates Z: 13 27.137 2.141 0.683 0.927 1.000 0.833 CA 1.524 12 residues pruned to eliminate duplicates Z: 54 38.413 2.104 0.848 0.599 0.868 0.566 CB 1.421 54 residues pruned to eliminate duplicates Z: 19 27.672 2.089 0.639 0.850 0.889 0.611 CA 1.588 19 residues pruned to eliminate duplicates Z: 14 26.781 2.050 0.934 0.853 0.923 0.846 CB 1.500 14 residues pruned to eliminate duplicates Z: 35 41.282 2.153 0.874 0.653 0.971 0.824 CB 1.569 34 residues pruned to eliminate duplicates Z: 17 33.875 2.219 0.804 0.869 0.938 0.500 CB 1.649 17 residues pruned to eliminate duplicates Z: 99 61.344 2.203 0.752 0.582 0.959 0.582 CB 1.547 85 residues pruned to eliminate duplicates Z: 17 38.925 2.211 0.853 0.939 0.938 0.688 CA 1.762 17 residues pruned to eliminate duplicates Z: 14 20.507 2.047 0.459 0.862 0.923 0.923 CA 1.515 14 residues pruned to eliminate duplicates Z: 10 12.015 2.085 0.702 0.507 0.889 0.667 CB 1.261 9 residues pruned to eliminate duplicates Z: 50 45.185 2.155 0.780 0.687 0.959 0.673 CB 1.478 50 residues pruned to eliminate duplicates Z: 24 15.361 2.000 0.799 0.399 0.870 0.565 CB 1.138 8 residues pruned to eliminate duplicates Z: 18 34.531 2.029 0.875 0.931 0.941 0.471 CA 1.634 18 residues pruned to eliminate duplicates Z: 25 17.960 2.075 0.573 0.401 0.875 0.500 CB 1.425 25 residues pruned to eliminate duplicates Z: 21 19.857 2.011 0.622 0.633 0.950 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 48 29.476 2.117 0.564 0.496 0.936 0.468 CB 1.392 48 residues pruned to eliminate duplicates Z: 81 48.280 2.194 0.711 0.540 0.887 0.613 CB 1.557 81 residues pruned to eliminate duplicates Z: 10 12.182 2.147 0.506 0.472 0.889 0.889 CB 1.454 10 residues pruned to eliminate duplicates Z: 6 4.751 1.591 -0.109 0.715 1.000 0.600 CA 1.233 6 residues pruned to eliminate duplicates Z: 13 25.594 2.104 0.649 0.900 1.000 0.667 CB 1.521 13 residues pruned to eliminate duplicates Z: 10 14.089 2.064 0.418 0.646 0.889 0.667 CA 1.574 10 residues pruned to eliminate duplicates Z: 8 15.637 2.030 0.476 0.881 1.000 0.714 CB 1.428 8 residues pruned to eliminate duplicates Z: 14 13.057 1.939 0.082 0.881 0.923 0.846 CB 1.355 14 residues pruned to eliminate duplicates Z: 18 29.176 2.122 0.445 0.938 1.000 0.882 CA 1.604 18 residues pruned to eliminate duplicates Z: 17 29.965 2.052 0.755 0.898 1.000 0.375 CB 1.488 17 residues pruned to eliminate duplicates Z: 12 18.915 2.121 0.557 0.611 0.909 0.818 CB 1.710 14 residues pruned to eliminate duplicates Z: 97 58.925 2.221 0.688 0.558 0.969 0.698 CB 1.565 97 residues pruned to eliminate duplicates Z: 34 38.687 2.191 0.757 0.631 0.970 0.879 CB 1.596 34 residues pruned to eliminate duplicates Z: 104 57.967 2.203 0.674 0.568 0.951 0.660 CB 1.524 104 residues pruned to eliminate duplicates Z: 52 43.365 2.136 0.851 0.632 0.902 0.529 CB 1.504 52 residues pruned to eliminate duplicates Z: 17 36.324 2.085 1.002 0.942 0.938 0.562 CB 1.608 17 residues pruned to eliminate duplicates Z: 9 10.238 2.049 0.515 0.777 0.875 0.750 CA 1.044 9 residues pruned to eliminate duplicates Z: 48 44.623 2.186 0.834 0.662 0.894 0.511 CB 1.564 48 residues pruned to eliminate duplicates Z: 77 45.823 2.172 0.687 0.570 0.921 0.592 CB 1.455 77 residues pruned to eliminate duplicates Z: 7 8.846 2.023 0.026 0.830 1.000 0.833 CB 1.309 Z: 42 39.433 2.246 0.621 0.530 0.976 0.707 CB 1.684 42 residues pruned to eliminate duplicates Z: 27 27.900 2.050 0.733 0.561 0.962 0.808 CB 1.510 27 residues pruned to eliminate duplicates Z: 47 27.840 2.134 0.588 0.489 0.891 0.500 CB 1.374 47 residues pruned to eliminate duplicates Z: 13 16.563 2.138 0.425 0.565 0.917 0.667 CA 1.608 7 residues pruned to eliminate duplicates Z: 17 38.086 2.261 1.012 0.904 0.875 0.688 CB 1.704 17 residues pruned to eliminate duplicates Z: 17 14.654 2.093 0.320 0.460 0.875 0.500 CA 1.579 17 residues pruned to eliminate duplicates Z: 20 28.531 2.148 0.800 0.623 0.947 0.842 CB 1.592 20 residues pruned to eliminate duplicates Z: 33 45.371 2.223 0.963 0.655 1.000 0.844 CB 1.592 33 residues pruned to eliminate duplicates Z: 21 22.889 2.245 0.473 0.510 0.950 0.550 CB 1.613 21 residues pruned to eliminate duplicates Z: 112 66.620 2.206 0.788 0.587 0.928 0.649 CB 1.590 113 residues pruned to eliminate duplicates Z: 33 37.127 2.210 0.735 0.567 0.969 0.812 CB 1.656 33 residues pruned to eliminate duplicates Z: 11 17.315 2.147 0.410 0.594 1.000 0.800 CB 1.653 11 residues pruned to eliminate duplicates Z: 125 58.294 2.193 0.639 0.533 0.935 0.589 CB 1.506 125 residues pruned to eliminate duplicates Z: 17 30.158 2.103 0.520 0.938 1.000 0.750 CA 1.640 17 residues pruned to eliminate duplicates Z: 11 10.057 1.933 0.392 0.489 0.900 0.700 CB 1.327 11 residues pruned to eliminate duplicates Z: 21 19.855 2.008 0.590 0.680 0.950 0.550 CB 1.241 21 residues pruned to eliminate duplicates Z: 57 44.060 2.223 0.758 0.529 0.929 0.625 CB 1.576 57 residues pruned to eliminate duplicates Z: 11 11.353 2.078 0.554 0.405 0.800 0.500 CB 1.535 11 residues pruned to eliminate duplicates Z: 12 21.803 2.082 0.409 0.912 1.000 0.909 CA 1.588 12 residues pruned to eliminate duplicates Z: 17 30.978 2.194 0.589 0.923 0.938 0.938 CB 1.665 17 residues pruned to eliminate duplicates Z: 10 12.966 1.911 0.481 0.560 0.889 0.556 N 1.620 10 residues pruned to eliminate duplicates Z: 31 19.879 2.099 0.478 0.453 0.933 0.433 CB 1.316 31 residues pruned to eliminate duplicates Z: 17 32.162 2.092 0.860 0.890 1.000 0.562 CB 1.486 17 residues pruned to eliminate duplicates Z: 31 28.074 2.096 0.722 0.545 0.867 0.667 CB 1.568 31 residues pruned to eliminate duplicates Z: 28 14.702 1.992 0.663 0.407 0.926 0.519 CB 1.017 26 residues pruned to eliminate duplicates Z: 11 22.948 2.152 0.872 0.606 1.000 0.700 CA 1.628 11 residues pruned to eliminate duplicates Z: 13 28.343 2.103 0.771 0.926 1.000 1.000 CA 1.540 13 residues pruned to eliminate duplicates Z: 14 26.600 1.964 0.834 0.922 1.000 0.538 CA 1.441 13 residues pruned to eliminate duplicates Z: 17 27.698 2.064 0.568 0.932 0.938 0.750 CB 1.595 17 residues pruned to eliminate duplicates Z: 9 7.947 1.821 0.198 0.722 0.875 0.625 CB 1.204 7 residues pruned to eliminate duplicates Z: 13 16.373 2.149 0.648 0.638 0.833 0.583 CA 1.408 13 residues pruned to eliminate duplicates Z: 12 10.323 1.788 0.599 0.538 0.818 0.727 CB 1.282 12 residues pruned to eliminate duplicates Z: 34 41.013 2.173 0.864 0.636 0.970 0.909 CB 1.600 34 residues pruned to eliminate duplicates Z: 12 16.136 2.077 0.454 0.483 1.000 0.636 CA 1.638 12 residues pruned to eliminate duplicates Z: 49 46.496 2.167 0.836 0.657 0.958 0.708 CB 1.521 49 residues pruned to eliminate duplicates Z: 14 9.934 1.722 0.563 0.551 0.923 0.692 CB 1.056 12 residues pruned to eliminate duplicates Z: 8 8.389 1.670 0.157 0.836 1.000 1.000 CB 1.228 8 residues pruned to eliminate duplicates Z: 8 7.739 1.831 -0.085 0.864 1.000 0.714 CB 1.280 9 residues pruned to eliminate duplicates Z: 9 13.090 2.029 0.329 0.809 1.000 0.500 CA 1.312 9 residues pruned to eliminate duplicates Z: 81 44.723 2.168 0.716 0.481 0.900 0.562 CB 1.522 81 residues pruned to eliminate duplicates Z: 30 24.000 1.976 0.798 0.543 0.966 0.621 CB 1.246 21 residues pruned to eliminate duplicates Z: 10 16.299 2.039 0.844 0.624 0.889 0.778 CB 1.446 10 residues pruned to eliminate duplicates Z: 8 9.766 1.987 0.419 0.854 0.714 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 9 8.455 1.775 0.179 0.765 0.875 0.750 CB 1.290 8 residues pruned to eliminate duplicates Z: 19 16.165 2.041 0.593 0.430 0.889 0.444 CB 1.418 19 residues pruned to eliminate duplicates Z: 49 31.520 2.137 0.607 0.494 0.938 0.562 CB 1.421 49 residues pruned to eliminate duplicates Z: 8 11.772 2.106 0.439 0.785 0.857 0.429 CA 1.334 8 residues pruned to eliminate duplicates Z: 81 44.539 2.159 0.704 0.521 0.913 0.588 CB 1.452 81 residues pruned to eliminate duplicates Z: 12 25.847 2.166 0.622 0.888 1.000 0.455 CB 1.598 12 residues pruned to eliminate duplicates Z: 33 41.100 2.214 0.737 0.661 1.000 0.938 CB 1.627 33 residues pruned to eliminate duplicates Z: 11 16.129 2.203 0.575 0.561 0.900 0.700 CB 1.540 11 residues pruned to eliminate duplicates Z: 12 19.323 2.067 0.332 0.890 1.000 0.909 CB 1.523 12 residues pruned to eliminate duplicates Z: 10 9.092 1.847 -0.014 0.915 1.000 0.889 CA 1.176 10 residues pruned to eliminate duplicates Z: 8 6.969 1.957 -0.087 0.844 0.857 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 57 46.563 2.229 0.743 0.569 0.946 0.625 CB 1.583 58 residues pruned to eliminate duplicates Z: 15 18.443 2.107 0.090 0.935 1.000 1.000 CB 1.495 15 residues pruned to eliminate duplicates Z: 49 30.459 2.118 0.696 0.486 0.917 0.500 CB 1.354 49 residues pruned to eliminate duplicates Z: 10 21.046 2.194 0.644 0.730 1.000 0.889 CA 1.582 10 residues pruned to eliminate duplicates Z: 48 31.846 2.140 0.614 0.527 0.936 0.532 CB 1.399 48 residues pruned to eliminate duplicates Z: 68 57.350 2.284 0.749 0.578 0.955 0.672 CB 1.702 68 residues pruned to eliminate duplicates Z: 20 21.746 2.143 0.637 0.447 0.947 0.632 CB 1.586 20 residues pruned to eliminate duplicates Z: 20 13.340 2.011 0.804 0.354 0.842 0.579 CB 1.173 20 residues pruned to eliminate duplicates Z: 8 10.906 1.855 0.139 0.835 1.000 0.571 CB 1.462 8 residues pruned to eliminate duplicates Z: 15 22.796 1.977 0.832 0.799 0.929 0.500 CA 1.394 15 residues pruned to eliminate duplicates Z: 12 24.138 2.193 0.488 0.919 1.000 0.909 CA 1.572 12 residues pruned to eliminate duplicates Z: 35 22.400 2.052 0.665 0.504 0.853 0.559 CB 1.313 27 residues pruned to eliminate duplicates Z: 11 10.960 1.958 0.344 0.593 0.900 0.800 CB 1.339 11 residues pruned to eliminate duplicates Z: 22 13.275 1.810 0.387 0.531 0.857 0.524 CB 1.305 22 residues pruned to eliminate duplicates Z: 17 31.363 2.071 0.758 0.883 1.000 0.312 CB 1.557 17 residues pruned to eliminate duplicates Z: 105 59.880 2.199 0.678 0.570 0.971 0.673 CB 1.531 105 residues pruned to eliminate duplicates Z: 19 13.283 2.000 0.527 0.390 0.833 0.500 CB 1.381 19 residues pruned to eliminate duplicates Z: 30 30.725 2.142 0.534 0.643 0.897 0.655 CB 1.694 30 residues pruned to eliminate duplicates Z: 25 17.980 2.059 0.443 0.453 0.875 0.542 CA 1.482 25 residues pruned to eliminate duplicates Z: 6 12.144 1.753 0.435 0.857 1.000 0.800 CA 1.591 6 residues pruned to eliminate duplicates Z: 21 18.403 1.947 0.713 0.646 0.900 0.650 CB 1.196 21 residues pruned to eliminate duplicates Z: 12 22.897 2.097 0.455 0.921 1.000 1.000 CA 1.592 12 residues pruned to eliminate duplicates Z: 8 10.530 1.929 0.490 0.729 0.857 0.571 CA 1.315 8 residues pruned to eliminate duplicates Z: 13 22.055 2.063 0.453 0.896 1.000 0.750 CB 1.522 13 residues pruned to eliminate duplicates Z: 35 29.786 1.978 0.540 0.605 0.971 0.618 CB 1.563 35 residues pruned to eliminate duplicates Z: 8 9.861 1.876 0.374 0.676 0.857 0.429 CA 1.435 8 residues pruned to eliminate duplicates Z: 44 34.780 2.045 0.630 0.610 0.930 0.698 CB 1.541 44 residues pruned to eliminate duplicates Z: 46 33.903 2.160 0.658 0.529 0.933 0.578 CB 1.470 46 residues pruned to eliminate duplicates Z: 7 9.477 1.924 0.717 0.353 0.833 0.333 CA 1.647 7 residues pruned to eliminate duplicates Z: 68 49.046 2.159 0.725 0.605 0.970 0.746 CB 1.501 66 residues pruned to eliminate duplicates Z: 59 38.540 2.166 0.535 0.569 0.931 0.586 CB 1.529 59 residues pruned to eliminate duplicates Z: 21 19.295 2.003 0.615 0.667 0.950 0.550 CB 1.204 21 residues pruned to eliminate duplicates Z: 17 10.929 1.919 0.348 0.489 0.875 0.688 CB 1.220 19 residues pruned to eliminate duplicates Z: 9 4.018 1.722 0.391 0.480 0.750 0.625 CB 0.807 9 residues pruned to eliminate duplicates Z: 8 7.634 1.601 0.251 0.843 1.000 1.000 CB 1.073 8 residues pruned to eliminate duplicates Z: 9 4.583 1.866 -0.189 0.355 1.000 0.375 CB 1.253 Z: 70 46.532 2.226 0.727 0.519 0.928 0.667 CB 1.541 70 residues pruned to eliminate duplicates Z: 52 43.059 2.125 0.890 0.645 0.882 0.627 CB 1.486 52 residues pruned to eliminate duplicates Z: 8 17.045 2.100 0.651 0.866 1.000 0.714 CB 1.360 8 residues pruned to eliminate duplicates Z: 13 36.839 2.244 1.034 0.833 1.000 1.000 CA 1.748 13 residues pruned to eliminate duplicates Z: 8 9.329 1.857 0.717 0.867 0.857 0.714 CB 0.944 8 residues pruned to eliminate duplicates Z: 14 28.282 1.994 0.788 0.941 1.000 0.769 CB 1.527 14 residues pruned to eliminate duplicates Z: 59 45.344 2.133 0.807 0.647 0.931 0.672 CB 1.447 59 residues pruned to eliminate duplicates Z: 10 10.359 1.775 0.366 0.671 1.000 0.778 CA 1.215 10 residues pruned to eliminate duplicates Z: 17 13.709 1.958 0.585 0.458 0.875 0.438 CB 1.317 16 residues pruned to eliminate duplicates Z: 9 8.491 1.873 -0.193 0.723 1.000 0.625 C 1.623 Z: 13 14.091 1.976 0.709 0.536 0.917 0.583 CA 1.268 13 residues pruned to eliminate duplicates Z: 19 24.549 2.075 0.675 0.615 0.944 0.722 CB 1.580 19 residues pruned to eliminate duplicates Z: 6 14.524 2.153 0.654 0.795 1.000 0.400 CA 1.409 6 residues pruned to eliminate duplicates Z: 18 15.438 2.058 0.513 0.481 0.824 0.471 CA 1.489 18 residues pruned to eliminate duplicates Z: 10 10.477 1.747 0.268 0.831 1.000 0.444 CB 1.184 10 residues pruned to eliminate duplicates Z: 48 23.626 2.093 0.413 0.465 0.872 0.553 CB 1.384 48 residues pruned to eliminate duplicates Z: 22 10.825 1.997 0.525 0.352 0.857 0.476 CB 1.062 22 residues pruned to eliminate duplicates Z: 11 8.645 1.891 0.736 0.416 0.700 0.500 CA 1.298 11 residues pruned to eliminate duplicates Z: 137 58.031 2.151 0.667 0.544 0.934 0.610 CB 1.424 137 residues pruned to eliminate duplicates Z: 34 33.303 2.112 0.605 0.677 0.909 0.576 CB 1.598 34 residues pruned to eliminate duplicates Z: 43 39.068 2.194 0.735 0.596 0.952 0.786 CB 1.517 43 residues pruned to eliminate duplicates Z: 12 15.827 2.081 0.085 0.902 1.000 1.000 CB 1.507 12 residues pruned to eliminate duplicates Z: 7 12.512 2.145 0.374 0.878 1.000 0.667 CB 1.258 7 residues pruned to eliminate duplicates Z: 19 8.820 1.925 0.452 0.285 0.778 0.389 CB 1.218 18 residues pruned to eliminate duplicates Z: 41 34.132 2.200 0.644 0.515 0.975 0.625 CB 1.507 41 residues pruned to eliminate duplicates Z: 14 11.215 1.837 0.227 0.593 0.923 0.769 CA 1.367 14 residues pruned to eliminate duplicates Z: 7 20.410 1.925 1.121 0.828 1.000 0.667 CB 1.537 7 residues pruned to eliminate duplicates Z: 10 13.515 2.012 0.717 0.586 0.778 0.778 CB 1.543 10 residues pruned to eliminate duplicates Z: 30 31.087 2.122 0.740 0.575 0.931 0.586 CB 1.561 30 residues pruned to eliminate duplicates Z: 20 34.297 2.218 0.721 0.702 1.000 0.842 CB 1.715 20 residues pruned to eliminate duplicates Z: 17 40.702 2.237 1.113 0.904 0.875 0.625 CA 1.752 17 residues pruned to eliminate duplicates Z: 7 3.264 1.775 -0.492 0.733 1.000 0.667 CB 1.197 Z: 8 12.614 2.124 0.320 0.846 1.000 0.571 CB 1.264 8 residues pruned to eliminate duplicates Z: 12 23.447 2.109 0.812 0.666 1.000 0.818 CB 1.586 12 residues pruned to eliminate duplicates Z: 9 6.051 1.524 0.214 0.766 1.000 0.625 CB 0.913 11 residues pruned to eliminate duplicates Z: 12 17.151 2.074 0.529 0.586 0.909 0.818 CB 1.651 12 residues pruned to eliminate duplicates Z: 36 36.048 2.116 0.625 0.687 0.914 0.714 CB 1.633 36 residues pruned to eliminate duplicates Z: 11 24.093 2.036 1.149 0.748 0.900 0.800 CA 1.550 11 residues pruned to eliminate duplicates Z: 13 20.144 1.952 1.238 0.534 1.000 0.750 CB 1.288 13 residues pruned to eliminate duplicates Z: 7 8.606 1.819 0.499 0.906 1.000 0.833 CB 0.916 7 residues pruned to eliminate duplicates Z: 23 37.672 2.171 1.076 0.633 0.955 0.727 CB 1.648 23 residues pruned to eliminate duplicates Z: 7 9.347 1.527 1.149 0.659 1.000 0.667 O 1.004 7 residues pruned to eliminate duplicates Z: 10 4.115 1.817 -0.237 0.425 0.778 0.667 CB 1.375 7 residues pruned to eliminate duplicates Z: 13 16.176 1.963 0.335 0.632 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 6 3.339 1.776 0.563 0.385 0.600 0.600 CB 1.013 Z: 28 21.427 2.017 0.724 0.611 0.889 0.519 CB 1.201 28 residues pruned to eliminate duplicates Z: 32 26.113 1.984 0.759 0.504 0.871 0.710 CB 1.537 54 residues pruned to eliminate duplicates Z: 15 11.311 1.863 0.441 0.473 0.929 0.571 CA 1.246 15 residues pruned to eliminate duplicates Z: 22 11.064 1.850 0.530 0.386 0.905 0.429 CB 1.064 22 residues pruned to eliminate duplicates Z: 51 42.998 2.151 0.800 0.635 0.920 0.680 CB 1.503 51 residues pruned to eliminate duplicates Z: 10 15.650 1.981 0.661 0.538 1.000 0.778 CB 1.527 10 residues pruned to eliminate duplicates Z: 84 50.603 2.188 0.635 0.527 0.964 0.687 CB 1.569 84 residues pruned to eliminate duplicates Z: 14 9.895 1.792 0.660 0.537 0.923 0.462 CB 0.963 14 residues pruned to eliminate duplicates Z: 55 42.845 2.207 0.694 0.541 0.963 0.593 CB 1.555 55 residues pruned to eliminate duplicates Z: 7 16.531 1.900 0.837 0.802 1.000 0.833 CB 1.485 7 residues pruned to eliminate duplicates Z: 13 18.165 2.072 0.161 0.920 1.000 1.000 CA 1.535 Z: 9 13.349 1.842 0.660 0.828 1.000 0.750 CA 1.162 9 residues pruned to eliminate duplicates Z: 15 12.390 1.831 0.202 0.590 1.000 0.571 CB 1.381 15 residues pruned to eliminate duplicates Z: 21 20.331 2.043 0.483 0.585 0.950 0.800 CB 1.455 20 residues pruned to eliminate duplicates Z: 10 6.928 1.854 -0.125 0.664 0.889 0.556 CB 1.377 11 residues pruned to eliminate duplicates Z: 16 22.060 2.069 0.234 0.917 1.000 0.733 CB 1.575 16 residues pruned to eliminate duplicates Z: 7 11.621 2.023 0.573 0.813 0.833 0.500 CA 1.364 7 residues pruned to eliminate duplicates Z: 10 17.161 2.116 0.546 0.721 1.000 0.778 CB 1.433 10 residues pruned to eliminate duplicates Z: 11 8.491 1.937 0.338 0.505 0.900 0.800 CB 1.145 11 residues pruned to eliminate duplicates Z: 82 47.979 2.167 0.698 0.529 0.926 0.691 CB 1.521 82 residues pruned to eliminate duplicates Z: 11 6.090 1.865 0.447 0.337 0.900 0.500 CB 0.948 11 residues pruned to eliminate duplicates Z: 63 39.955 2.163 0.565 0.590 0.935 0.677 CB 1.470 63 residues pruned to eliminate duplicates Z: 30 22.079 2.151 0.545 0.379 0.897 0.517 CB 1.565 30 residues pruned to eliminate duplicates Z: 21 26.312 2.150 0.558 0.636 1.000 0.700 CB 1.547 13 residues pruned to eliminate duplicates Z: 6 8.593 2.187 0.434 0.868 1.000 0.600 CB 0.896 6 residues pruned to eliminate duplicates Z: 16 17.452 2.193 0.547 0.391 0.933 0.533 CB 1.598 16 residues pruned to eliminate duplicates Z: 12 14.351 1.969 0.288 0.638 1.000 0.818 CB 1.499 12 residues pruned to eliminate duplicates Z: 71 40.701 2.175 0.528 0.568 0.914 0.729 CB 1.500 71 residues pruned to eliminate duplicates Z: 58 34.265 2.160 0.549 0.544 0.895 0.526 CB 1.452 58 residues pruned to eliminate duplicates Z: 49 27.892 2.088 0.553 0.500 0.917 0.521 CB 1.355 49 residues pruned to eliminate duplicates Z: 8 12.971 2.086 0.657 0.618 1.000 0.857 CB 1.270 8 residues pruned to eliminate duplicates Z: 79 47.314 2.163 0.744 0.584 0.885 0.692 CB 1.482 79 residues pruned to eliminate duplicates Z: 9 8.253 1.730 0.183 0.587 1.000 0.625 CA 1.312 Z: 8 2.455 1.470 0.263 0.347 0.571 0.571 C 1.033 Z: 10 7.143 1.606 0.499 0.522 0.889 0.556 C 1.089 19 residues pruned to eliminate duplicates Z: 25 16.141 1.997 0.656 0.504 0.875 0.542 CB 1.134 25 residues pruned to eliminate duplicates Z: 14 9.209 1.899 0.403 0.464 0.769 0.462 CA 1.292 14 residues pruned to eliminate duplicates Z: 8 14.485 1.899 0.518 0.828 1.000 0.714 CA 1.430 8 residues pruned to eliminate duplicates Z: 13 26.113 2.102 0.844 0.918 0.917 0.583 CB 1.497 13 residues pruned to eliminate duplicates Z: 8 8.352 1.889 0.274 0.818 0.857 0.714 CA 1.162 8 residues pruned to eliminate duplicates Z: 7 5.170 1.526 0.576 0.443 1.000 0.500 N 0.930 8 residues pruned to eliminate duplicates Z: 10 13.195 2.000 0.384 0.722 1.000 0.889 CB 1.300 10 residues pruned to eliminate duplicates Z: 19 16.422 2.113 0.546 0.400 0.944 0.667 CB 1.394 19 residues pruned to eliminate duplicates Z: 26 32.829 2.217 0.808 0.541 0.960 0.680 CB 1.639 26 residues pruned to eliminate duplicates Z: 59 44.024 2.163 0.670 0.647 0.931 0.621 CB 1.499 59 residues pruned to eliminate duplicates Z: 13 13.044 1.914 0.548 0.505 0.917 0.833 CB 1.380 13 residues pruned to eliminate duplicates Z: 10 11.711 1.807 0.691 0.786 0.889 0.889 N 1.118 Z: 11 13.489 1.815 0.750 0.668 0.800 0.600 C 1.437 11 residues pruned to eliminate duplicates Z: 19 10.851 1.763 0.266 0.516 0.944 0.444 CB 1.194 19 residues pruned to eliminate duplicates Z: 11 5.790 1.786 -0.242 0.593 1.000 0.600 CB 1.237 Z: 10 9.605 1.863 0.688 0.604 0.778 0.556 CA 1.185 10 residues pruned to eliminate duplicates Z: 12 10.535 1.832 0.525 0.568 0.727 0.455 CB 1.463 12 residues pruned to eliminate duplicates Z: 12 10.193 1.845 0.710 0.476 0.818 0.636 CB 1.220 12 residues pruned to eliminate duplicates Z: 8 6.322 1.733 0.222 0.906 0.857 0.714 CB 0.937 8 residues pruned to eliminate duplicates Z: 13 23.954 2.083 0.524 0.937 1.000 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 16 16.573 2.001 0.718 0.558 0.800 0.533 CB 1.471 16 residues pruned to eliminate duplicates Z: 35 28.929 2.129 0.575 0.557 0.912 0.647 CB 1.536 35 residues pruned to eliminate duplicates Z: 13 7.378 1.709 -0.086 0.611 0.917 0.500 CB 1.338 7 residues pruned to eliminate duplicates Z: 112 55.755 2.168 0.664 0.543 0.928 0.631 CB 1.516 112 residues pruned to eliminate duplicates Z: 18 18.410 2.008 0.560 0.544 0.882 0.471 CB 1.547 18 residues pruned to eliminate duplicates Z: 13 16.785 2.050 0.144 0.913 1.000 0.917 CA 1.462 13 residues pruned to eliminate duplicates Z: 18 25.798 1.997 0.527 0.915 0.941 0.941 CB 1.541 18 residues pruned to eliminate duplicates Z: 18 37.063 2.141 0.862 0.912 0.941 0.765 CA 1.696 18 residues pruned to eliminate duplicates Z: 29 20.532 2.141 0.447 0.391 0.929 0.429 CB 1.514 29 residues pruned to eliminate duplicates Z: 9 15.863 2.016 0.612 0.860 1.000 0.750 CB 1.270 9 residues pruned to eliminate duplicates Z: 25 27.430 1.920 0.554 0.737 1.000 0.708 CB 1.517 39 residues pruned to eliminate duplicates Z: 78 37.877 2.095 0.497 0.554 0.909 0.481 CB 1.436 78 residues pruned to eliminate duplicates Z: 14 18.085 1.929 0.353 0.838 1.000 0.923 CA 1.435 14 residues pruned to eliminate duplicates Z: 39 35.636 2.066 0.686 0.658 0.921 0.500 CB 1.555 39 residues pruned to eliminate duplicates Z: 13 12.964 1.871 0.347 0.623 1.000 0.750 CB 1.323 13 residues pruned to eliminate duplicates Z: 27 21.674 2.087 0.523 0.432 1.000 0.654 CB 1.435 27 residues pruned to eliminate duplicates Z: 15 25.491 2.113 0.781 0.684 1.000 0.643 CA 1.528 16 residues pruned to eliminate duplicates Z: 12 19.029 2.179 0.767 0.579 0.909 0.727 CB 1.520 12 residues pruned to eliminate duplicates Z: 14 12.497 1.899 0.517 0.576 0.846 0.462 CB 1.322 14 residues pruned to eliminate duplicates Z: 14 5.294 1.449 0.479 0.342 0.923 0.385 CB 0.882 14 residues pruned to eliminate duplicates Z: 19 10.603 1.797 0.468 0.461 1.000 0.722 CB 0.986 19 residues pruned to eliminate duplicates Z: 30 32.734 2.087 0.827 0.614 0.966 0.793 CB 1.481 30 residues pruned to eliminate duplicates Z: 6 4.218 1.624 -0.093 0.414 1.000 0.600 CB 1.401 Z: 52 42.837 2.178 0.767 0.643 0.941 0.706 CB 1.448 52 residues pruned to eliminate duplicates Z: 30 17.705 1.955 0.678 0.385 0.897 0.483 CB 1.263 30 residues pruned to eliminate duplicates Z: 6 7.023 1.857 0.254 0.741 0.800 0.600 CB 1.358 6 residues pruned to eliminate duplicates Z: 13 6.438 1.611 -0.137 0.648 0.833 0.583 C 1.399 Z: 28 19.360 2.053 0.626 0.522 0.889 0.556 CB 1.229 29 residues pruned to eliminate duplicates Z: 16 12.668 1.747 0.808 0.476 0.800 0.467 N 1.327 11 residues pruned to eliminate duplicates Z: 21 18.753 2.028 0.553 0.705 0.900 0.450 CB 1.228 21 residues pruned to eliminate duplicates Z: 39 21.861 2.080 0.511 0.491 0.842 0.526 CB 1.353 39 residues pruned to eliminate duplicates Z: 50 38.299 2.035 0.650 0.655 0.959 0.633 CB 1.471 50 residues pruned to eliminate duplicates Z: 9 2.455 1.567 0.409 0.146 0.750 0.250 N 0.811 Z: 12 6.726 1.497 0.459 0.410 0.818 0.636 C 1.247 49 residues pruned to eliminate duplicates Z: 8 3.026 1.576 -0.445 0.793 1.000 1.000 CB 1.010 8 residues pruned to eliminate duplicates Z: 26 29.153 2.051 0.795 0.644 0.960 0.440 CB 1.441 26 residues pruned to eliminate duplicates Z: 12 5.271 1.620 -0.115 0.641 0.909 0.636 CB 1.069 12 residues pruned to eliminate duplicates Z: 20 13.546 2.051 0.657 0.361 0.842 0.579 CB 1.261 20 residues pruned to eliminate duplicates Z: 20 14.688 2.062 0.481 0.466 0.895 0.632 CB 1.277 20 residues pruned to eliminate duplicates Z: 32 35.382 2.172 0.656 0.621 0.968 0.871 CB 1.629 32 residues pruned to eliminate duplicates Z: 24 29.881 2.287 0.654 0.547 1.000 0.609 CB 1.572 24 residues pruned to eliminate duplicates Z: 11 7.249 1.575 1.174 0.410 0.700 0.500 CB 1.052 Z: 10 7.819 1.786 0.542 0.405 0.889 0.667 CB 1.176 6 1.579 1.566 -0.042 0.272 0.600 0.400 CB 1.017 ? Z: 61 38.111 2.153 0.567 0.516 0.950 0.700 CB 1.511 61 residues pruned to eliminate duplicates Z: 6 2.108 1.666 0.051 0.631 0.800 0.600 CB 0.595 6 residues pruned to eliminate duplicates Z: 69 40.122 2.129 0.565 0.569 0.897 0.676 CB 1.522 69 residues pruned to eliminate duplicates Z: 12 15.816 1.854 0.560 0.779 1.000 0.727 CB 1.289 12 residues pruned to eliminate duplicates Z: 18 21.902 2.043 0.764 0.517 0.941 0.647 CB 1.540 Z: 8 6.861 1.801 -0.226 0.748 1.000 0.714 C 1.490 8 residues pruned to eliminate duplicates Z: 68 43.564 2.134 0.675 0.560 0.940 0.567 CB 1.495 68 residues pruned to eliminate duplicates Z: 6 4.924 1.886 -0.324 0.861 1.000 1.000 CB 1.270 7 residues pruned to eliminate duplicates Z: 14 8.848 1.728 0.648 0.446 0.769 0.692 CB 1.184 Z: 36 31.236 2.196 0.598 0.510 0.943 0.543 CB 1.581 36 residues pruned to eliminate duplicates Z: 21 8.526 1.795 0.101 0.465 0.800 0.550 CB 1.249 21 residues pruned to eliminate duplicates Z: 16 28.132 2.069 0.740 0.938 1.000 0.467 CB 1.403 16 residues pruned to eliminate duplicates Z: 11 17.647 1.824 0.856 0.835 1.000 1.000 N 1.235 15 residues pruned to eliminate duplicates Z: 7 7.752 1.792 0.360 0.871 1.000 0.667 CB 0.947 7 residues pruned to eliminate duplicates Z: 33 26.889 2.027 0.552 0.608 0.906 0.562 CB 1.505 33 residues pruned to eliminate duplicates Z: 96 53.297 2.192 0.659 0.585 0.916 0.695 CB 1.513 96 residues pruned to eliminate duplicates Z: 17 16.653 2.084 0.635 0.507 0.938 0.562 CB 1.294 12 residues pruned to eliminate duplicates Z: 38 34.650 2.141 0.849 0.477 0.919 0.541 CB 1.603 38 residues pruned to eliminate duplicates Z: 47 44.174 2.204 0.736 0.666 0.957 0.717 CB 1.526 47 residues pruned to eliminate duplicates Z: 8 6.686 1.820 -0.033 0.550 1.000 0.571 C 1.368 8 residues pruned to eliminate duplicates Z: 19 10.084 1.929 0.388 0.295 0.833 0.500 CB 1.340 19 residues pruned to eliminate duplicates Z: 14 11.546 1.888 0.662 0.458 0.923 0.538 CB 1.154 14 residues pruned to eliminate duplicates Z: 9 10.274 1.890 0.338 0.852 1.000 0.500 CB 1.062 9 residues pruned to eliminate duplicates Z: 8 8.184 2.000 0.225 0.398 1.000 0.571 CA 1.407 8 residues pruned to eliminate duplicates Z: 10 12.614 2.010 0.582 0.547 1.000 0.778 CB 1.263 10 residues pruned to eliminate duplicates Z: 8 13.266 1.895 0.624 0.810 0.857 0.571 CB 1.451 8 residues pruned to eliminate duplicates Z: 11 2.500 1.574 -0.169 0.400 0.900 0.300 CB 0.746 11 residues pruned to eliminate duplicates Z: 6 5.184 1.635 0.480 0.478 1.000 0.800 CB 0.980 6 residues pruned to eliminate duplicates Z: 50 37.041 2.165 0.625 0.509 0.918 0.653 CB 1.623 50 residues pruned to eliminate duplicates Z: 9 14.087 1.826 0.546 0.724 1.000 0.625 CB 1.440 10 residues pruned to eliminate duplicates Z: 10 14.101 2.130 0.347 0.555 1.000 0.889 CB 1.552 10 residues pruned to eliminate duplicates Z: 6 4.540 1.398 0.877 0.581 0.800 0.800 CB 0.895 6 residues pruned to eliminate duplicates Z: 26 14.648 2.040 0.609 0.410 0.840 0.480 CB 1.168 26 residues pruned to eliminate duplicates Z: 50 33.378 2.161 0.638 0.450 0.918 0.531 CB 1.545 50 residues pruned to eliminate duplicates Z: 8 11.851 1.898 0.239 0.813 1.000 0.571 CB 1.450 Z: 47 31.113 2.093 0.645 0.485 0.957 0.587 CB 1.414 47 residues pruned to eliminate duplicates Z: 22 35.494 2.190 0.747 0.747 0.952 0.667 CB 1.705 22 residues pruned to eliminate duplicates Z: 7 9.811 2.063 0.580 0.905 1.000 0.833 CB 0.875 7 residues pruned to eliminate duplicates Z: 14 12.222 1.887 0.725 0.547 0.923 0.692 CB 1.077 14 residues pruned to eliminate duplicates Z: 16 11.878 1.909 0.779 0.433 0.867 0.667 CB 1.116 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 13.131 2.061 0.727 0.353 0.909 0.455 CA 1.434 12 residues pruned to eliminate duplicates Z: 18 14.996 2.054 0.373 0.453 0.882 0.529 CA 1.534 18 residues pruned to eliminate duplicates Z: 13 10.093 2.035 0.534 0.355 0.750 0.417 CA 1.455 13 residues pruned to eliminate duplicates Z: 19 9.723 1.702 0.697 0.376 0.778 0.389 CB 1.164 19 residues pruned to eliminate duplicates Z: 19 12.829 2.036 0.614 0.344 0.778 0.389 CB 1.402 19 residues pruned to eliminate duplicates Z: 18 18.951 2.082 0.802 0.401 0.882 0.529 CA 1.542 18 residues pruned to eliminate duplicates Z: 8 6.622 1.484 1.067 0.330 0.857 0.714 CA 1.147 8 residues pruned to eliminate duplicates Z: 10 22.773 2.274 0.812 0.625 1.000 0.667 CA 1.638 15 residues pruned to eliminate duplicates Z: 7 5.269 1.482 0.948 0.475 0.667 0.500 CA 1.146 7 residues pruned to eliminate duplicates Z: 18 21.474 2.111 0.666 0.502 0.941 0.647 CA 1.570 18 residues pruned to eliminate duplicates Z: 6 4.127 1.526 0.694 0.367 1.000 0.800 CA 0.824 6 residues pruned to eliminate duplicates Z: 10 18.824 2.223 0.619 0.594 1.000 0.667 CA 1.594 10 residues pruned to eliminate duplicates Z: 19 16.315 1.953 0.721 0.492 0.889 0.556 CB 1.297 19 residues pruned to eliminate duplicates Z: 11 18.387 2.147 0.664 0.646 1.000 0.600 CA 1.420 11 residues pruned to eliminate duplicates Z: 19 17.917 2.070 0.728 0.476 0.833 0.500 CB 1.452 19 residues pruned to eliminate duplicates Z: 30 17.731 2.032 0.542 0.497 0.828 0.448 CB 1.274 19 residues pruned to eliminate duplicates Z: 9 8.878 1.851 0.466 0.603 1.000 0.500 CB 1.048 9 residues pruned to eliminate duplicates Z: 30 16.433 2.022 0.469 0.442 0.897 0.448 CB 1.217 30 residues pruned to eliminate duplicates Z: 18 11.691 1.914 0.506 0.435 0.941 0.529 CB 1.118 18 residues pruned to eliminate duplicates Z: 9 10.534 1.840 0.689 0.689 0.875 0.375 CB 1.151 9 residues pruned to eliminate duplicates Z: 35 17.390 1.956 0.539 0.450 0.824 0.529 CB 1.266 35 residues pruned to eliminate duplicates Z: 18 10.976 2.024 0.331 0.481 0.824 0.471 CB 1.223 18 residues pruned to eliminate duplicates Z: 17 11.982 2.005 0.420 0.463 0.875 0.500 CB 1.249 17 residues pruned to eliminate duplicates Z: 29 19.593 2.020 0.479 0.514 0.893 0.607 CB 1.369 29 residues pruned to eliminate duplicates Z: 19 11.952 1.949 0.536 0.418 0.889 0.389 CB 1.153 18 residues pruned to eliminate duplicates Z: 10 6.666 1.613 0.246 0.896 0.889 0.778 CB 0.891 10 residues pruned to eliminate duplicates Z: 47 35.137 2.172 0.658 0.500 1.000 0.565 CB 1.439 47 residues pruned to eliminate duplicates Z: 48 34.188 2.154 0.668 0.494 0.979 0.553 CB 1.427 48 residues pruned to eliminate duplicates Z: 22 17.546 2.004 0.549 0.644 0.857 0.571 CB 1.257 22 residues pruned to eliminate duplicates Z: 23 14.999 1.982 0.435 0.591 0.818 0.636 CB 1.259 23 residues pruned to eliminate duplicates Z: 49 21.949 1.990 0.490 0.486 0.854 0.562 CB 1.269 87 residues pruned to eliminate duplicates Z: 46 34.162 2.154 0.645 0.553 0.956 0.600 CB 1.428 46 residues pruned to eliminate duplicates Z: 29 23.369 2.087 0.584 0.544 0.929 0.714 CB 1.378 29 residues pruned to eliminate duplicates Z: 48 31.111 2.143 0.635 0.473 0.979 0.574 CB 1.360 48 residues pruned to eliminate duplicates Z: 21 19.903 2.026 0.438 0.643 1.000 0.600 CB 1.336 21 residues pruned to eliminate duplicates Z: 22 16.261 2.020 0.368 0.562 0.952 0.667 CB 1.269 22 residues pruned to eliminate duplicates Z: 14 11.845 1.999 0.373 0.506 0.846 0.538 CA 1.406 14 residues pruned to eliminate duplicates Z: 22 17.828 2.009 0.562 0.668 0.857 0.619 CB 1.238 22 residues pruned to eliminate duplicates Z: 21 19.553 2.056 0.558 0.645 0.950 0.500 CB 1.255 21 residues pruned to eliminate duplicates Z: 13 17.255 2.116 0.455 0.582 1.000 0.583 CA 1.496 13 residues pruned to eliminate duplicates Z: 30 21.175 2.045 0.476 0.545 0.897 0.552 CB 1.390 30 residues pruned to eliminate duplicates Z: 13 13.297 2.150 0.339 0.495 0.917 0.583 CA 1.462 13 residues pruned to eliminate duplicates Z: 46 30.122 2.132 0.574 0.506 0.933 0.556 CB 1.425 46 residues pruned to eliminate duplicates Z: 38 27.411 2.211 0.595 0.450 0.892 0.459 CB 1.508 38 residues pruned to eliminate duplicates Z: 21 18.062 2.237 0.602 0.353 0.900 0.450 CB 1.468 21 residues pruned to eliminate duplicates Z: 26 28.147 2.275 0.556 0.460 1.000 0.600 CB 1.656 26 residues pruned to eliminate duplicates Z: 49 29.420 2.106 0.567 0.468 0.938 0.479 CB 1.418 49 residues pruned to eliminate duplicates Z: 45 33.296 2.174 0.636 0.547 0.955 0.568 CB 1.413 45 residues pruned to eliminate duplicates Z: 49 28.324 2.104 0.536 0.491 0.917 0.542 CB 1.392 49 residues pruned to eliminate duplicates Z: 61 35.011 2.143 0.502 0.520 0.900 0.550 CB 1.529 61 residues pruned to eliminate duplicates Z: 82 44.687 2.106 0.584 0.591 0.914 0.617 CB 1.493 82 residues pruned to eliminate duplicates Z: 54 29.160 2.052 0.670 0.467 0.906 0.528 CB 1.335 54 residues pruned to eliminate duplicates Z: 56 38.573 2.177 0.656 0.502 0.945 0.545 CB 1.522 56 residues pruned to eliminate duplicates Z: 29 21.461 2.170 0.596 0.392 0.893 0.429 CB 1.471 29 residues pruned to eliminate duplicates Z: 47 32.771 2.161 0.625 0.535 0.957 0.543 CB 1.390 47 residues pruned to eliminate duplicates Z: 27 23.619 2.227 0.584 0.425 0.923 0.462 CB 1.538 27 residues pruned to eliminate duplicates Z: 26 16.418 2.117 0.457 0.333 0.880 0.440 CB 1.452 26 residues pruned to eliminate duplicates Z: 49 28.384 2.082 0.551 0.493 0.917 0.458 CB 1.394 49 residues pruned to eliminate duplicates Z: 50 27.817 2.115 0.472 0.482 0.918 0.592 CB 1.416 50 residues pruned to eliminate duplicates Z: 48 31.831 2.146 0.574 0.482 1.000 0.574 CB 1.399 48 residues pruned to eliminate duplicates Z: 41 30.194 2.195 0.624 0.417 0.975 0.525 CB 1.498 41 residues pruned to eliminate duplicates Z: 40 28.131 2.201 0.570 0.430 0.949 0.538 CB 1.478 40 residues pruned to eliminate duplicates Z: 17 16.009 1.999 0.506 0.468 0.875 0.562 CB 1.569 17 residues pruned to eliminate duplicates Z: 29 26.608 2.195 0.649 0.453 0.964 0.536 CB 1.512 29 residues pruned to eliminate duplicates Z: 14 13.797 2.110 0.573 0.410 0.846 0.538 CB 1.497 14 residues pruned to eliminate duplicates Z: 80 42.333 2.125 0.483 0.581 0.949 0.570 CB 1.473 80 residues pruned to eliminate duplicates Z: 81 40.880 2.113 0.490 0.564 0.925 0.562 CB 1.475 81 residues pruned to eliminate duplicates Z: 35 29.343 2.138 0.327 0.673 0.912 0.706 CB 1.658 35 residues pruned to eliminate duplicates Z: 51 43.115 2.242 0.576 0.604 0.940 0.680 CB 1.662 51 residues pruned to eliminate duplicates Z: 72 37.052 2.151 0.490 0.568 0.901 0.592 CB 1.424 72 residues pruned to eliminate duplicates Z: 37 34.520 2.115 0.533 0.645 0.944 0.639 CB 1.640 37 residues pruned to eliminate duplicates Z: 79 43.716 2.163 0.511 0.570 0.936 0.590 CB 1.512 79 residues pruned to eliminate duplicates Z: 35 31.147 2.120 0.431 0.665 0.941 0.647 CB 1.606 35 residues pruned to eliminate duplicates Z: 36 31.755 2.141 0.399 0.670 0.943 0.657 CB 1.624 36 residues pruned to eliminate duplicates Z: 60 40.678 2.171 0.469 0.595 0.949 0.661 CB 1.598 60 residues pruned to eliminate duplicates Z: 34 32.441 2.076 0.575 0.646 1.000 0.515 CA 1.507 34 residues pruned to eliminate duplicates Z: 38 34.319 2.080 0.547 0.630 0.946 0.595 CB 1.639 38 residues pruned to eliminate duplicates Z: 40 33.618 2.048 0.552 0.644 0.923 0.667 CB 1.604 40 residues pruned to eliminate duplicates Z: 40 32.909 2.037 0.486 0.646 0.974 0.615 CB 1.559 40 residues pruned to eliminate duplicates Z: 44 33.160 2.042 0.602 0.589 0.907 0.605 CB 1.565 44 residues pruned to eliminate duplicates Z: 74 41.018 2.155 0.583 0.570 0.904 0.589 CB 1.455 74 residues pruned to eliminate duplicates Z: 71 42.627 2.186 0.533 0.577 0.900 0.571 CB 1.568 71 residues pruned to eliminate duplicates Z: 38 34.724 2.105 0.515 0.656 0.946 0.676 CB 1.637 38 residues pruned to eliminate duplicates Z: 40 30.981 2.041 0.535 0.622 0.923 0.615 CB 1.530 40 residues pruned to eliminate duplicates Z: 48 33.241 2.028 0.620 0.610 0.894 0.638 CB 1.487 48 residues pruned to eliminate duplicates Z: 53 31.048 1.993 0.624 0.601 0.885 0.519 CB 1.367 53 residues pruned to eliminate duplicates Z: 37 34.555 2.103 0.708 0.630 0.889 0.639 CB 1.597 37 residues pruned to eliminate duplicates Z: 44 34.679 2.062 0.623 0.613 0.907 0.721 CB 1.566 44 residues pruned to eliminate duplicates Z: 62 36.975 2.145 0.523 0.550 0.918 0.623 CB 1.505 62 residues pruned to eliminate duplicates Z: 26 32.528 2.188 0.796 0.670 0.880 0.560 CB 1.608 26 residues pruned to eliminate duplicates Z: 39 31.205 2.009 0.649 0.652 0.921 0.632 CB 1.440 39 residues pruned to eliminate duplicates Z: 49 32.643 2.036 0.587 0.594 0.896 0.500 CB 1.487 49 residues pruned to eliminate duplicates Z: 91 44.645 2.103 0.612 0.583 0.911 0.567 CB 1.407 91 residues pruned to eliminate duplicates Z: 15 11.840 1.885 0.323 0.542 0.857 0.500 CB 1.421 15 residues pruned to eliminate duplicates Z: 57 35.471 1.970 0.634 0.568 0.946 0.536 CB 1.456 57 residues pruned to eliminate duplicates Z: 48 34.694 1.994 0.613 0.641 0.936 0.660 CB 1.473 48 residues pruned to eliminate duplicates Z: 27 15.233 1.831 0.391 0.518 0.885 0.577 CB 1.302 27 residues pruned to eliminate duplicates Z: 19 10.231 1.789 0.362 0.432 0.778 0.500 CB 1.366 19 residues pruned to eliminate duplicates Z: 38 34.574 2.085 0.638 0.642 0.892 0.595 CB 1.634 38 residues pruned to eliminate duplicates Z: 38 31.948 2.068 0.567 0.649 0.892 0.595 CA 1.580 38 residues pruned to eliminate duplicates Z: 39 30.968 2.015 0.549 0.676 0.921 0.553 CB 1.487 39 residues pruned to eliminate duplicates Z: 44 32.837 1.997 0.701 0.615 0.930 0.535 CB 1.422 44 residues pruned to eliminate duplicates Z: 27 15.114 1.863 0.376 0.557 0.885 0.500 CB 1.237 27 residues pruned to eliminate duplicates Z: 50 34.722 2.003 0.618 0.643 0.939 0.592 CB 1.426 50 residues pruned to eliminate duplicates Z: 10 12.374 1.955 0.589 0.628 0.889 0.556 CB 1.324 10 residues pruned to eliminate duplicates Z: 16 10.975 1.704 0.562 0.481 0.933 0.533 CB 1.164 16 residues pruned to eliminate duplicates Z: 13 12.905 1.796 0.665 0.631 0.917 0.750 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 13.277 1.939 0.688 0.558 0.909 0.636 CB 1.271 12 residues pruned to eliminate duplicates Z: 13 10.827 1.832 0.613 0.519 0.917 0.750 CB 1.133 13 residues pruned to eliminate duplicates Z: 13 9.704 1.754 0.639 0.581 0.917 0.750 CB 0.983 13 residues pruned to eliminate duplicates Z: 27 15.902 1.833 0.538 0.533 0.846 0.538 CB 1.266 27 residues pruned to eliminate duplicates Z: 13 10.444 1.828 0.592 0.588 0.917 0.750 CB 1.040 13 residues pruned to eliminate duplicates Z: 15 12.035 1.932 0.509 0.494 0.929 0.714 CB 1.195 15 residues pruned to eliminate duplicates Z: 18 14.382 1.862 0.305 0.514 0.941 0.647 CB 1.505 18 residues pruned to eliminate duplicates Z: 66 42.723 2.066 0.557 0.632 0.969 0.677 CB 1.501 66 residues pruned to eliminate duplicates Z: 12 14.732 2.015 0.398 0.562 0.909 0.636 CB 1.633 12 residues pruned to eliminate duplicates Z: 99 46.617 2.070 0.641 0.584 0.918 0.541 CB 1.393 99 residues pruned to eliminate duplicates Z: 12 12.454 1.950 0.293 0.635 0.818 0.636 CB 1.604 12 residues pruned to eliminate duplicates Z: 20 16.831 1.859 0.475 0.565 0.895 0.579 CB 1.477 20 residues pruned to eliminate duplicates Z: 13 10.855 1.813 0.417 0.584 0.750 0.583 CB 1.499 13 residues pruned to eliminate duplicates Z: 15 11.597 1.848 0.540 0.461 0.857 0.571 CB 1.323 15 residues pruned to eliminate duplicates Z: 20 37.518 2.262 0.909 0.686 1.000 0.789 CB 1.681 21 residues pruned to eliminate duplicates Z: 13 21.594 2.072 0.443 0.901 1.000 0.750 CA 1.488 12 residues pruned to eliminate duplicates Z: 14 18.105 2.000 0.510 0.866 0.923 0.846 CB 1.318 14 residues pruned to eliminate duplicates Z: 22 34.941 2.153 0.885 0.670 1.000 0.762 CB 1.605 21 residues pruned to eliminate duplicates Z: 12 27.617 2.159 0.648 0.929 1.000 0.818 CB 1.638 12 residues pruned to eliminate duplicates Z: 14 19.748 1.991 0.547 0.861 0.923 0.769 CB 1.415 14 residues pruned to eliminate duplicates Z: 22 30.268 2.125 0.766 0.623 1.000 0.762 CB 1.568 22 residues pruned to eliminate duplicates Z: 21 35.214 2.224 0.845 0.644 1.000 0.800 CB 1.677 22 residues pruned to eliminate duplicates Z: 14 18.384 1.976 0.498 0.889 0.923 0.692 CB 1.343 14 residues pruned to eliminate duplicates Z: 21 33.282 2.195 0.793 0.663 1.000 0.800 CB 1.627 21 residues pruned to eliminate duplicates Z: 22 28.816 2.118 0.697 0.615 1.000 0.810 CB 1.569 22 residues pruned to eliminate duplicates Z: 22 28.314 2.168 0.614 0.642 1.000 0.714 CB 1.547 22 residues pruned to eliminate duplicates Z: 11 20.684 2.335 0.908 0.404 1.000 0.600 CB 1.624 11 residues pruned to eliminate duplicates Z: 21 30.950 2.209 0.676 0.617 1.000 0.800 CB 1.674 21 residues pruned to eliminate duplicates Z: 12 22.211 2.220 0.953 0.490 1.000 0.909 CB 1.560 11 residues pruned to eliminate duplicates Z: 6 8.154 1.725 1.028 0.332 1.000 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 117 52.705 2.079 0.593 0.575 0.948 0.621 CB 1.449 121 residues pruned to eliminate duplicates Z: 12 33.463 2.241 0.985 0.915 1.000 0.909 CA 1.603 12 residues pruned to eliminate duplicates Z: 22 39.142 2.256 1.060 0.646 1.000 0.762 CB 1.604 22 residues pruned to eliminate duplicates Z: 36 40.675 2.161 0.957 0.606 0.971 0.743 CB 1.513 36 residues pruned to eliminate duplicates Z: 21 45.544 2.310 1.045 0.719 1.000 0.800 CB 1.769 21 residues pruned to eliminate duplicates Z: 35 40.435 2.197 0.884 0.639 0.971 0.824 CB 1.516 35 residues pruned to eliminate duplicates Z: 34 42.911 2.209 0.919 0.642 0.970 0.818 CB 1.591 34 residues pruned to eliminate duplicates Z: 22 40.948 2.222 1.162 0.633 1.000 0.810 CB 1.642 22 residues pruned to eliminate duplicates Z: 148 68.246 2.179 0.765 0.544 0.925 0.639 CB 1.515 148 residues pruned to eliminate duplicates Z: 34 42.388 2.206 0.921 0.631 1.000 0.788 CB 1.539 34 residues pruned to eliminate duplicates Z: 36 38.685 2.156 0.876 0.604 0.943 0.771 CB 1.554 36 residues pruned to eliminate duplicates Z: 35 34.201 2.141 0.801 0.604 0.941 0.794 CB 1.463 35 residues pruned to eliminate duplicates Z: 23 33.299 2.161 1.016 0.617 0.909 0.773 CA 1.605 23 residues pruned to eliminate duplicates Z: 22 40.630 2.249 1.061 0.653 0.952 0.762 CB 1.742 22 residues pruned to eliminate duplicates Z: 35 42.812 2.195 0.927 0.625 0.971 0.735 CB 1.590 35 residues pruned to eliminate duplicates Z: 6 3.759 1.568 0.628 0.268 0.600 0.200 CA 1.428 6 residues pruned to eliminate duplicates Z: 22 34.451 2.210 0.836 0.680 0.952 0.905 CA 1.649 22 residues pruned to eliminate duplicates Z: 34 38.638 2.154 0.863 0.643 0.939 0.727 CB 1.561 34 residues pruned to eliminate duplicates Z: 34 41.374 2.201 0.921 0.631 0.939 0.758 CB 1.603 34 residues pruned to eliminate duplicates Z: 33 43.548 2.257 0.810 0.658 0.969 0.812 CB 1.678 33 residues pruned to eliminate duplicates Z: 13 18.181 2.132 0.514 0.573 1.000 0.750 CB 1.515 13 residues pruned to eliminate duplicates Z: 12 15.416 2.192 0.509 0.540 0.909 0.727 CB 1.486 12 residues pruned to eliminate duplicates Z: 12 16.482 2.133 0.516 0.597 0.909 0.727 CB 1.541 12 residues pruned to eliminate duplicates Z: 12 16.168 2.193 0.539 0.544 0.909 0.727 CB 1.522 12 residues pruned to eliminate duplicates Z: 12 17.126 2.195 0.588 0.588 0.909 0.818 CB 1.498 12 residues pruned to eliminate duplicates Z: 34 44.160 2.239 0.859 0.631 1.000 0.788 CB 1.634 34 residues pruned to eliminate duplicates Z: 14 16.573 2.122 0.515 0.502 0.923 0.769 CB 1.546 14 residues pruned to eliminate duplicates Z: 12 17.003 2.162 0.650 0.570 1.000 0.909 CB 1.343 12 residues pruned to eliminate duplicates Z: 12 17.517 2.100 0.762 0.553 1.000 0.909 CB 1.355 12 residues pruned to eliminate duplicates Z: 32 37.664 2.257 0.867 0.561 0.903 0.806 CB 1.674 32 residues pruned to eliminate duplicates Z: 93 52.920 2.197 0.681 0.540 0.913 0.696 CB 1.574 93 residues pruned to eliminate duplicates Z: 81 47.770 2.181 0.683 0.536 0.925 0.650 CB 1.519 81 residues pruned to eliminate duplicates Z: 56 40.252 2.243 0.696 0.504 0.909 0.618 CB 1.563 56 residues pruned to eliminate duplicates Z: 105 57.018 2.225 0.660 0.548 0.923 0.644 CB 1.564 105 residues pruned to eliminate duplicates Z: 111 56.123 2.163 0.657 0.538 0.927 0.682 CB 1.551 111 residues pruned to eliminate duplicates Z: 34 29.102 2.182 0.626 0.563 0.879 0.636 CB 1.528 34 residues pruned to eliminate duplicates Z: 105 62.286 2.225 0.722 0.559 0.952 0.663 CB 1.581 105 residues pruned to eliminate duplicates Z: 58 39.076 2.241 0.626 0.485 0.912 0.649 CB 1.581 58 residues pruned to eliminate duplicates Z: 124 54.506 2.204 0.589 0.531 0.902 0.610 CB 1.508 124 residues pruned to eliminate duplicates Z: 81 52.019 2.199 0.735 0.548 0.938 0.650 CB 1.552 81 residues pruned to eliminate duplicates Z: 48 36.474 2.246 0.552 0.496 0.957 0.553 CB 1.600 48 residues pruned to eliminate duplicates Z: 73 49.255 2.185 0.749 0.555 0.931 0.639 CB 1.548 73 residues pruned to eliminate duplicates Z: 83 46.709 2.167 0.720 0.524 0.902 0.659 CB 1.498 83 residues pruned to eliminate duplicates Z: 47 43.001 2.258 0.718 0.524 0.957 0.630 CB 1.669 47 residues pruned to eliminate duplicates Z: 57 36.498 2.184 0.621 0.463 0.946 0.518 CB 1.511 57 residues pruned to eliminate duplicates Z: 52 37.517 2.217 0.636 0.497 0.941 0.627 CB 1.544 52 residues pruned to eliminate duplicates Z: 105 57.322 2.172 0.656 0.566 0.942 0.673 CB 1.556 105 residues pruned to eliminate duplicates Z: 136 56.378 2.166 0.610 0.505 0.919 0.607 CB 1.507 136 residues pruned to eliminate duplicates Z: 58 39.870 2.210 0.721 0.488 0.895 0.596 CB 1.570 58 residues pruned to eliminate duplicates Z: 58 41.199 2.190 0.749 0.478 0.930 0.561 CB 1.566 58 residues pruned to eliminate duplicates Z: 104 52.327 2.174 0.624 0.556 0.913 0.650 CB 1.515 104 residues pruned to eliminate duplicates Z: 34 25.191 2.152 0.568 0.549 0.818 0.545 CB 1.514 34 residues pruned to eliminate duplicates Z: 57 42.241 2.219 0.728 0.500 0.929 0.589 CB 1.584 57 residues pruned to eliminate duplicates Z: 48 37.373 2.229 0.671 0.493 0.915 0.617 CB 1.612 48 residues pruned to eliminate duplicates Z: 103 55.663 2.215 0.641 0.556 0.931 0.637 CB 1.542 103 residues pruned to eliminate duplicates Z: 104 57.003 2.222 0.660 0.553 0.922 0.621 CB 1.568 104 residues pruned to eliminate duplicates Z: 49 44.000 2.221 0.802 0.547 0.958 0.646 CB 1.581 49 residues pruned to eliminate duplicates Z: 57 42.007 2.229 0.711 0.496 0.929 0.625 CB 1.592 57 residues pruned to eliminate duplicates Z: 81 48.623 2.169 0.753 0.529 0.900 0.613 CB 1.544 81 residues pruned to eliminate duplicates Z: 35 25.795 2.071 0.504 0.514 0.912 0.529 CB 1.537 35 residues pruned to eliminate duplicates Z: 58 38.914 2.222 0.643 0.505 0.895 0.596 CB 1.570 58 residues pruned to eliminate duplicates Z: 34 19.532 1.985 0.403 0.482 0.879 0.545 CB 1.414 34 residues pruned to eliminate duplicates Z: 48 33.654 2.158 0.649 0.437 0.936 0.489 CB 1.572 48 residues pruned to eliminate duplicates Z: 81 49.518 2.206 0.729 0.543 0.900 0.663 CB 1.547 81 residues pruned to eliminate duplicates Z: 31 33.448 2.313 0.742 0.450 0.933 0.500 CB 1.710 31 residues pruned to eliminate duplicates Z: 98 56.030 2.202 0.669 0.566 0.938 0.722 CB 1.549 98 residues pruned to eliminate duplicates Z: 62 46.299 2.208 0.749 0.530 0.902 0.639 CB 1.653 62 residues pruned to eliminate duplicates Z: 28 33.231 2.345 0.666 0.474 0.889 0.704 CA 1.891 28 residues pruned to eliminate duplicates Z: 38 40.303 2.269 0.758 0.513 0.946 0.676 CB 1.733 38 residues pruned to eliminate duplicates Z: 105 59.747 2.211 0.715 0.580 0.923 0.663 CB 1.550 105 residues pruned to eliminate duplicates Z: 81 48.408 2.189 0.713 0.540 0.900 0.613 CB 1.542 81 residues pruned to eliminate duplicates Z: 52 36.838 2.198 0.673 0.512 0.941 0.608 CB 1.473 52 residues pruned to eliminate duplicates Z: 36 39.452 2.331 0.740 0.501 0.914 0.629 CB 1.795 36 residues pruned to eliminate duplicates Z: 58 41.633 2.231 0.623 0.532 0.947 0.632 CB 1.558 58 residues pruned to eliminate duplicates Z: 80 49.866 2.205 0.724 0.561 0.899 0.671 CB 1.548 80 residues pruned to eliminate duplicates Z: 113 55.555 2.205 0.621 0.545 0.911 0.679 CB 1.544 113 residues pruned to eliminate duplicates Z: 81 47.407 2.185 0.714 0.521 0.900 0.588 CB 1.541 81 residues pruned to eliminate duplicates Z: 59 40.549 2.195 0.715 0.482 0.914 0.621 CB 1.576 59 residues pruned to eliminate duplicates Z: 137 58.051 2.180 0.657 0.526 0.926 0.596 CB 1.451 137 residues pruned to eliminate duplicates Z: 74 44.336 2.185 0.661 0.558 0.890 0.658 CB 1.517 74 residues pruned to eliminate duplicates Z: 59 43.951 2.243 0.752 0.517 0.948 0.603 CB 1.522 59 residues pruned to eliminate duplicates Z: 57 43.048 2.252 0.753 0.546 0.893 0.625 CB 1.560 57 residues pruned to eliminate duplicates Z: 81 50.145 2.195 0.744 0.546 0.925 0.688 CB 1.514 81 residues pruned to eliminate duplicates Z: 73 50.777 2.222 0.632 0.562 0.986 0.667 CB 1.575 73 residues pruned to eliminate duplicates Z: 50 41.393 2.220 0.760 0.540 0.939 0.592 CB 1.551 50 residues pruned to eliminate duplicates Z: 104 59.977 2.225 0.718 0.561 0.942 0.660 CB 1.548 104 residues pruned to eliminate duplicates Z: 60 42.033 2.225 0.723 0.517 0.915 0.661 CB 1.534 60 residues pruned to eliminate duplicates Z: 53 43.552 2.181 0.824 0.520 0.923 0.654 CB 1.612 53 residues pruned to eliminate duplicates Z: 106 55.523 2.205 0.676 0.542 0.924 0.648 CB 1.523 106 residues pruned to eliminate duplicates Z: 105 57.851 2.200 0.704 0.557 0.933 0.615 CB 1.536 105 residues pruned to eliminate duplicates Z: 96 59.217 2.220 0.663 0.595 0.947 0.716 CB 1.587 96 residues pruned to eliminate duplicates Z: 26 25.358 2.205 0.451 0.637 0.960 0.640 CB 1.452 26 residues pruned to eliminate duplicates Z: 110 55.290 2.166 0.735 0.548 0.908 0.633 CB 1.480 110 residues pruned to eliminate duplicates Z: 53 40.883 2.133 0.724 0.615 0.962 0.692 CB 1.438 53 residues pruned to eliminate duplicates Z: 105 60.827 2.195 0.741 0.572 0.933 0.663 CB 1.561 105 residues pruned to eliminate duplicates Z: 58 41.711 2.152 0.686 0.600 0.912 0.579 CB 1.517 58 residues pruned to eliminate duplicates Z: 72 55.958 2.239 0.823 0.615 0.930 0.676 CB 1.570 72 residues pruned to eliminate duplicates Z: 49 35.186 2.105 0.786 0.604 0.875 0.583 CB 1.398 49 residues pruned to eliminate duplicates Z: 132 65.132 2.211 0.729 0.545 0.931 0.634 CB 1.530 132 residues pruned to eliminate duplicates Z: 50 45.553 2.161 0.740 0.660 0.980 0.612 CB 1.524 50 residues pruned to eliminate duplicates Z: 48 46.558 2.201 0.846 0.654 0.936 0.638 CB 1.546 48 residues pruned to eliminate duplicates Z: 138 54.284 2.153 0.621 0.522 0.898 0.547 CB 1.449 138 residues pruned to eliminate duplicates Z: 41 36.929 2.171 0.739 0.600 0.875 0.625 CB 1.607 41 residues pruned to eliminate duplicates Z: 53 43.820 2.115 0.907 0.617 0.923 0.519 CB 1.462 53 residues pruned to eliminate duplicates Z: 97 64.385 2.206 0.838 0.611 0.938 0.625 CB 1.556 97 residues pruned to eliminate duplicates Z: 49 41.468 2.142 0.791 0.627 0.938 0.667 CB 1.476 49 residues pruned to eliminate duplicates Z: 50 43.846 2.161 0.720 0.623 0.959 0.551 CB 1.564 50 residues pruned to eliminate duplicates Z: 105 62.105 2.205 0.744 0.593 0.952 0.673 CB 1.522 105 residues pruned to eliminate duplicates Z: 50 42.139 2.163 0.831 0.661 0.918 0.673 CB 1.426 50 residues pruned to eliminate duplicates Z: 58 48.284 2.171 0.824 0.639 0.912 0.632 CB 1.554 58 residues pruned to eliminate duplicates Z: 31 27.488 2.095 0.631 0.578 0.867 0.633 CA 1.573 31 residues pruned to eliminate duplicates Z: 51 42.896 2.146 0.810 0.658 0.900 0.580 CB 1.498 51 residues pruned to eliminate duplicates Z: 51 48.863 2.162 0.864 0.667 0.960 0.660 CB 1.530 51 residues pruned to eliminate duplicates Z: 51 44.995 2.170 0.825 0.630 0.940 0.580 CB 1.513 51 residues pruned to eliminate duplicates Z: 60 47.313 2.106 0.933 0.617 0.915 0.559 CB 1.479 71 residues pruned to eliminate duplicates Z: 98 65.217 2.206 0.780 0.618 0.969 0.691 CB 1.557 98 residues pruned to eliminate duplicates Z: 50 47.388 2.209 0.798 0.664 0.939 0.673 CB 1.559 50 residues pruned to eliminate duplicates Z: 50 47.544 2.194 0.861 0.666 0.959 0.633 CB 1.488 50 residues pruned to eliminate duplicates Z: 59 47.209 2.180 0.776 0.639 0.914 0.672 CB 1.538 59 residues pruned to eliminate duplicates Z: 49 48.464 2.200 0.894 0.677 0.938 0.583 CB 1.521 49 residues pruned to eliminate duplicates Z: 48 50.586 2.218 0.949 0.691 0.936 0.574 CB 1.532 48 residues pruned to eliminate duplicates Z: 47 48.343 2.218 0.889 0.682 0.913 0.652 CB 1.577 47 residues pruned to eliminate duplicates Z: 103 62.339 2.173 0.753 0.613 0.951 0.637 CB 1.530 103 residues pruned to eliminate duplicates Z: 48 47.559 2.201 0.924 0.681 0.936 0.617 CB 1.482 48 residues pruned to eliminate duplicates Z: 26 33.461 2.175 0.781 0.662 0.960 0.720 CB 1.548 26 residues pruned to eliminate duplicates Z: 50 47.886 2.194 0.897 0.658 0.918 0.673 CB 1.546 50 residues pruned to eliminate duplicates Z: 54 44.322 2.116 0.908 0.615 0.925 0.660 CB 1.463 54 residues pruned to eliminate duplicates Z: 106 58.354 2.183 0.767 0.592 0.914 0.629 CB 1.479 106 residues pruned to eliminate duplicates Z: 59 42.694 2.126 0.831 0.628 0.879 0.621 CB 1.451 59 residues pruned to eliminate duplicates Z: 102 56.026 2.185 0.748 0.571 0.911 0.535 CB 1.496 102 residues pruned to eliminate duplicates Z: 50 40.565 2.176 0.740 0.630 0.939 0.673 CB 1.442 50 residues pruned to eliminate duplicates Z: 59 48.680 2.172 0.802 0.632 0.966 0.517 CB 1.495 59 residues pruned to eliminate duplicates Z: 54 26.789 2.124 0.525 0.409 0.868 0.509 CB 1.441 54 residues pruned to eliminate duplicates Z: 17 15.244 2.059 0.388 0.466 0.875 0.688 CB 1.577 17 residues pruned to eliminate duplicates Z: 129 58.555 2.179 0.642 0.542 0.922 0.602 CB 1.507 129 residues pruned to eliminate duplicates Z: 59 50.005 2.180 0.783 0.652 0.966 0.534 CB 1.519 59 residues pruned to eliminate duplicates Z: 57 42.465 2.192 0.678 0.632 0.893 0.589 CB 1.527 57 residues pruned to eliminate duplicates Z: 10 21.933 2.286 0.553 0.725 1.000 0.778 CA 1.680 10 residues pruned to eliminate duplicates Z: 10 19.043 2.283 0.490 0.660 1.000 0.667 CA 1.608 10 residues pruned to eliminate duplicates Z: 76 41.968 2.124 0.648 0.535 0.933 0.547 CB 1.433 76 residues pruned to eliminate duplicates Z: 36 21.135 2.109 0.488 0.422 0.886 0.543 CB 1.395 36 residues pruned to eliminate duplicates Z: 77 43.817 2.181 0.654 0.551 0.921 0.539 CB 1.439 77 residues pruned to eliminate duplicates Z: 79 41.130 2.154 0.674 0.534 0.885 0.513 CB 1.412 79 residues pruned to eliminate duplicates Z: 71 48.558 2.167 0.780 0.575 0.957 0.600 CB 1.463 71 residues pruned to eliminate duplicates Z: 18 10.058 1.995 0.535 0.267 0.824 0.294 CB 1.262 18 residues pruned to eliminate duplicates Z: 22 12.063 2.020 0.476 0.357 0.905 0.381 CB 1.139 22 residues pruned to eliminate duplicates Z: 33 18.170 2.020 0.508 0.385 0.906 0.469 CB 1.314 33 residues pruned to eliminate duplicates Z: 35 25.649 2.129 0.647 0.470 0.912 0.618 CB 1.418 35 residues pruned to eliminate duplicates Z: 15 9.585 1.875 0.672 0.326 0.929 0.357 CB 1.066 15 residues pruned to eliminate duplicates Z: 26 17.690 2.062 0.681 0.402 0.880 0.400 CB 1.287 26 residues pruned to eliminate duplicates Z: 22 15.353 2.049 0.758 0.369 0.857 0.524 CB 1.249 22 residues pruned to eliminate duplicates Z: 11 5.004 1.727 0.508 0.190 0.900 0.400 CB 0.979 11 residues pruned to eliminate duplicates Z: 71 46.248 2.173 0.722 0.552 0.943 0.543 CB 1.490 71 residues pruned to eliminate duplicates Z: 131 65.207 2.206 0.765 0.543 0.954 0.592 CB 1.476 131 residues pruned to eliminate duplicates Z: 16 8.509 1.885 0.686 0.239 0.867 0.400 CB 1.080 16 residues pruned to eliminate duplicates Z: 25 16.114 2.052 0.545 0.418 0.833 0.625 CB 1.357 25 residues pruned to eliminate duplicates Z: 81 44.746 2.117 0.746 0.535 0.913 0.588 CB 1.433 81 residues pruned to eliminate duplicates Z: 11 18.296 2.087 0.793 0.694 1.000 0.800 CB 1.295 11 residues pruned to eliminate duplicates Z: 11 18.198 2.080 0.738 0.690 1.000 0.800 CB 1.338 11 residues pruned to eliminate duplicates Z: 10 15.431 2.091 0.803 0.679 0.778 0.778 CB 1.487 10 residues pruned to eliminate duplicates Z: 64 29.947 2.069 0.708 0.405 0.889 0.524 CB 1.327 42 residues pruned to eliminate duplicates Z: 6 6.771 1.601 1.249 0.299 0.800 0.800 O 1.315 6 residues pruned to eliminate duplicates Z: 12 16.322 1.987 0.982 0.580 0.909 0.727 CB 1.272 12 residues pruned to eliminate duplicates Z: 83 48.483 2.153 0.744 0.561 0.927 0.634 CB 1.450 83 residues pruned to eliminate duplicates Z: 29 19.578 1.975 0.721 0.496 0.893 0.679 CB 1.224 29 residues pruned to eliminate duplicates Z: 28 21.789 2.085 0.581 0.591 0.889 0.667 CB 1.312 28 residues pruned to eliminate duplicates Z: 38 18.319 2.011 0.595 0.448 0.838 0.622 CB 1.182 38 residues pruned to eliminate duplicates Z: 29 19.916 2.018 0.742 0.509 0.857 0.714 CB 1.238 29 residues pruned to eliminate duplicates Z: 41 21.902 2.070 0.658 0.460 0.850 0.575 CB 1.236 41 residues pruned to eliminate duplicates Z: 26 22.295 2.040 0.739 0.494 0.920 0.600 CB 1.375 26 residues pruned to eliminate duplicates Z: 44 19.788 2.001 0.608 0.445 0.860 0.605 CB 1.154 44 residues pruned to eliminate duplicates Z: 28 21.992 2.025 0.670 0.527 0.963 0.630 CB 1.265 28 residues pruned to eliminate duplicates Z: 95 51.843 2.178 0.682 0.528 0.947 0.596 CB 1.500 95 residues pruned to eliminate duplicates Z: 43 23.419 1.944 0.664 0.492 0.952 0.595 CB 1.182 43 residues pruned to eliminate duplicates Z: 22 13.146 1.919 0.744 0.428 0.762 0.476 CB 1.212 22 residues pruned to eliminate duplicates Z: 27 23.710 2.079 0.740 0.568 0.962 0.731 CB 1.252 27 residues pruned to eliminate duplicates Z: 28 21.926 2.038 0.808 0.525 0.889 0.630 CB 1.257 28 residues pruned to eliminate duplicates Z: 18 16.453 2.031 0.827 0.480 0.882 0.412 CB 1.243 18 residues pruned to eliminate duplicates Z: 26 22.977 2.088 0.736 0.543 0.920 0.600 CB 1.322 26 residues pruned to eliminate duplicates Z: 17 16.558 2.056 0.759 0.507 0.875 0.250 CB 1.299 17 residues pruned to eliminate duplicates Z: 27 22.326 2.000 0.724 0.566 1.000 0.500 CB 1.191 27 residues pruned to eliminate duplicates Z: 16 4.663 1.620 0.498 0.289 0.733 0.333 CB 0.858 16 residues pruned to eliminate duplicates Z: 36 24.452 2.098 0.697 0.411 0.857 0.571 CB 1.485 27 residues pruned to eliminate duplicates Z: 6 2.861 1.639 0.618 0.246 1.000 0.400 CB 0.647 6 residues pruned to eliminate duplicates Z: 21 19.011 2.057 0.573 0.523 0.900 0.750 CB 1.427 21 residues pruned to eliminate duplicates Z: 27 27.992 2.174 0.548 0.541 0.962 0.769 CB 1.630 22 residues pruned to eliminate duplicates Z: 6 5.933 1.514 1.058 0.389 1.000 0.800 N 0.957 6 residues pruned to eliminate duplicates Z: 9 15.991 2.208 0.668 0.615 0.875 0.875 CB 1.573 9 residues pruned to eliminate duplicates Z: 10 12.340 2.051 0.505 0.549 0.889 0.778 CB 1.429 10 residues pruned to eliminate duplicates Z: 14 13.625 2.009 0.669 0.436 0.846 0.538 CB 1.423 14 residues pruned to eliminate duplicates 321 residues left after pruning, divided into chains as follows: A: 188 B: 133 CC for partial structure against native data = 37.15 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.422, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.476, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.564, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.566, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.573, Connect. = 0.788 for dens.mod. cycle 5 = 0.300, Contrast = 0.575, Connect. = 0.789 for dens.mod. cycle 6 = 0.300, Contrast = 0.579, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.580, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.582, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.583, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1932 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 438 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 93 61.566 2.241 0.726 0.575 0.957 0.696 CB 1.614 B: 58 38.115 2.240 0.680 0.504 0.877 0.614 CB 1.523 47 residues pruned to eliminate duplicates C: 50 30.338 2.142 0.481 0.505 0.959 0.592 CB 1.418 D: 40 28.691 2.257 0.524 0.463 0.923 0.538 CB 1.502 40 residues pruned to eliminate duplicates E: 79 45.673 2.176 0.675 0.555 0.897 0.526 CB 1.498 49 residues pruned to eliminate duplicates F: 17 27.600 2.212 0.389 0.914 0.938 0.875 CA 1.694 G: 8 9.912 2.144 0.606 0.718 0.714 0.714 CA 1.251 H: 16 30.538 2.305 0.482 0.940 0.933 0.867 CA 1.717 16 residues pruned to eliminate duplicates I: 13 31.167 2.136 0.748 0.912 1.000 0.667 CA 1.707 J: 39 30.039 2.060 0.752 0.544 0.868 0.658 CB 1.489 39 residues pruned to eliminate duplicates K: 11 23.968 2.238 0.681 0.648 1.000 0.900 CB 1.755 L: 10 15.555 2.216 0.675 0.550 0.889 0.778 CB 1.496 M: 105 58.013 2.230 0.667 0.585 0.923 0.663 CB 1.529 105 residues pruned to eliminate duplicates N: 13 25.166 2.078 0.591 0.944 1.000 0.833 CB 1.522 O: 15 34.940 2.363 0.621 0.941 0.929 0.786 CA 1.822 17 residues pruned to eliminate duplicates P: 61 43.796 2.254 0.609 0.539 0.933 0.650 CB 1.607 61 residues pruned to eliminate duplicates Q: 19 26.885 2.079 0.729 0.836 0.889 0.611 CA 1.485 19 residues pruned to eliminate duplicates R: 17 30.912 2.058 0.846 0.893 1.000 0.625 CB 1.460 17 residues pruned to eliminate duplicates S: 8 15.477 2.249 0.604 0.599 0.857 0.714 CB 1.722 8 residues pruned to eliminate duplicates T: 16 41.642 2.334 0.914 0.947 0.933 0.467 CB 1.783 15 residues pruned to eliminate duplicates U: 16 30.273 2.332 0.442 0.933 0.933 0.867 CA 1.738 16 residues pruned to eliminate duplicates V: 9 15.779 2.208 0.778 0.628 0.875 0.750 CB 1.440 9 residues pruned to eliminate duplicates W: 17 38.786 2.247 0.872 0.932 0.938 0.562 CA 1.717 17 residues pruned to eliminate duplicates X: 13 13.055 2.165 0.439 0.581 0.833 0.500 CB 1.343 13 residues pruned to eliminate duplicates Y: 67 40.021 2.084 0.770 0.601 0.879 0.606 CB 1.381 67 residues pruned to eliminate duplicates Z: 21 12.498 1.962 0.402 0.600 0.800 0.500 CB 1.154 23 residues pruned to eliminate duplicates Z: 54 45.946 2.241 0.693 0.539 0.943 0.698 CB 1.697 55 residues pruned to eliminate duplicates Z: 16 26.363 2.318 0.271 0.930 0.933 0.933 CA 1.731 16 residues pruned to eliminate duplicates Z: 8 10.634 1.777 0.347 0.670 1.000 0.429 CA 1.435 8 residues pruned to eliminate duplicates Z: 18 31.473 2.195 0.721 0.903 0.882 0.824 CA 1.632 17 residues pruned to eliminate duplicates Z: 13 19.555 2.085 0.272 0.940 1.000 0.833 CB 1.478 13 residues pruned to eliminate duplicates Z: 22 21.887 1.991 0.587 0.538 1.000 0.667 CB 1.456 22 residues pruned to eliminate duplicates Z: 10 14.300 2.077 0.654 0.777 0.889 0.556 CA 1.223 8 residues pruned to eliminate duplicates Z: 17 35.660 2.191 0.769 0.871 1.000 0.562 CA 1.677 19 residues pruned to eliminate duplicates Z: 19 21.874 2.111 0.400 0.608 1.000 0.833 CB 1.575 13 residues pruned to eliminate duplicates Z: 109 44.346 2.095 0.505 0.523 0.898 0.602 CB 1.472 92 residues pruned to eliminate duplicates Z: 55 46.017 2.240 0.741 0.548 0.926 0.685 CB 1.655 54 residues pruned to eliminate duplicates Z: 47 28.695 2.163 0.532 0.484 0.935 0.587 CB 1.388 47 residues pruned to eliminate duplicates Z: 130 55.341 2.190 0.549 0.546 0.922 0.527 CB 1.489 130 residues pruned to eliminate duplicates Z: 17 32.659 2.101 0.690 0.925 1.000 0.750 CB 1.614 17 residues pruned to eliminate duplicates Z: 11 14.472 2.050 0.710 0.437 1.000 0.800 CB 1.393 11 residues pruned to eliminate duplicates Z: 11 13.877 2.253 0.483 0.515 0.800 0.600 CB 1.617 11 residues pruned to eliminate duplicates Z: 29 25.539 2.118 0.599 0.581 0.929 0.643 CB 1.420 19 residues pruned to eliminate duplicates Z: 13 31.877 2.103 0.903 0.932 1.000 0.750 CB 1.605 13 residues pruned to eliminate duplicates Z: 17 35.364 2.122 0.794 0.939 1.000 0.625 CB 1.614 17 residues pruned to eliminate duplicates Z: 10 19.933 2.137 0.780 0.747 0.889 0.889 CB 1.576 10 residues pruned to eliminate duplicates Z: 22 38.105 2.241 0.896 0.694 0.952 0.762 CB 1.721 12 residues pruned to eliminate duplicates Z: 13 33.315 2.094 0.977 0.940 1.000 0.833 CB 1.613 13 residues pruned to eliminate duplicates Z: 18 23.011 1.967 0.428 0.898 0.941 0.765 CA 1.510 18 residues pruned to eliminate duplicates Z: 12 30.762 2.159 0.861 0.902 1.000 0.727 CA 1.646 12 residues pruned to eliminate duplicates Z: 48 32.665 2.168 0.603 0.490 0.957 0.574 CB 1.446 48 residues pruned to eliminate duplicates Z: 35 36.245 2.167 0.743 0.606 0.941 0.706 CB 1.581 35 residues pruned to eliminate duplicates Z: 8 10.741 1.957 0.552 0.739 0.857 0.714 CA 1.259 8 residues pruned to eliminate duplicates Z: 13 30.660 2.131 0.808 0.929 1.000 0.833 CB 1.607 13 residues pruned to eliminate duplicates Z: 58 38.506 2.236 0.679 0.509 0.895 0.596 CB 1.505 58 residues pruned to eliminate duplicates Z: 8 12.579 2.146 0.808 0.625 0.714 0.714 CB 1.526 8 residues pruned to eliminate duplicates Z: 13 30.368 2.118 0.732 0.931 1.000 0.917 CB 1.670 13 residues pruned to eliminate duplicates Z: 99 52.312 2.179 0.632 0.562 0.929 0.694 CB 1.506 99 residues pruned to eliminate duplicates Z: 58 49.058 2.182 0.721 0.657 0.965 0.614 CB 1.550 58 residues pruned to eliminate duplicates Z: 17 32.601 2.021 0.909 0.942 0.938 0.500 CB 1.563 17 residues pruned to eliminate duplicates Z: 17 27.111 2.270 0.309 0.909 1.000 0.812 CA 1.619 17 residues pruned to eliminate duplicates Z: 6 6.520 1.890 -0.068 0.746 1.000 0.800 CB 1.328 6 residues pruned to eliminate duplicates Z: 34 28.284 2.125 0.641 0.583 0.909 0.697 CB 1.434 34 residues pruned to eliminate duplicates Z: 13 25.761 2.095 0.612 0.935 1.000 0.833 CB 1.535 13 residues pruned to eliminate duplicates Z: 36 38.988 2.189 0.799 0.577 0.943 0.743 CB 1.647 36 residues pruned to eliminate duplicates Z: 10 14.970 2.230 -0.031 0.912 1.000 0.778 CA 1.635 10 residues pruned to eliminate duplicates Z: 12 21.368 2.163 0.656 0.607 1.000 0.909 CB 1.624 12 residues pruned to eliminate duplicates Z: 15 40.108 2.347 0.833 0.947 0.929 0.786 CA 1.856 15 residues pruned to eliminate duplicates Z: 26 30.280 2.203 0.780 0.630 0.920 0.760 CB 1.486 26 residues pruned to eliminate duplicates Z: 45 43.157 2.197 0.752 0.672 0.932 0.614 CB 1.548 45 residues pruned to eliminate duplicates Z: 32 19.575 2.064 0.531 0.426 0.903 0.419 CB 1.331 32 residues pruned to eliminate duplicates Z: 13 32.003 2.112 0.995 0.899 1.000 0.667 CA 1.567 13 residues pruned to eliminate duplicates Z: 12 29.457 2.192 0.699 0.917 1.000 1.000 CA 1.682 13 residues pruned to eliminate duplicates Z: 18 27.128 1.978 0.433 0.949 1.000 0.765 CB 1.603 18 residues pruned to eliminate duplicates Z: 13 22.172 2.074 0.416 0.930 1.000 1.000 CA 1.525 13 residues pruned to eliminate duplicates Z: 42 30.017 2.205 0.490 0.544 0.902 0.659 CB 1.515 42 residues pruned to eliminate duplicates Z: 9 13.789 1.853 0.753 0.788 1.000 0.750 CA 1.166 9 residues pruned to eliminate duplicates Z: 13 22.093 2.058 0.517 0.913 1.000 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 108 54.835 2.213 0.638 0.552 0.916 0.692 CB 1.517 108 residues pruned to eliminate duplicates Z: 9 21.918 2.111 1.123 0.743 0.875 0.875 CB 1.590 9 residues pruned to eliminate duplicates Z: 49 27.245 2.134 0.519 0.462 0.875 0.562 CB 1.442 49 residues pruned to eliminate duplicates Z: 34 20.728 2.076 0.517 0.462 0.939 0.606 CB 1.268 34 residues pruned to eliminate duplicates Z: 18 28.448 2.005 0.672 0.884 1.000 0.588 CA 1.487 18 residues pruned to eliminate duplicates Z: 9 9.243 1.784 0.381 0.674 1.000 0.750 CB 1.129 Z: 9 9.640 2.188 0.284 0.542 0.875 0.750 CB 1.331 9 residues pruned to eliminate duplicates Z: 13 14.648 2.048 0.491 0.517 0.833 0.667 CB 1.634 13 residues pruned to eliminate duplicates Z: 18 34.507 2.005 0.900 0.893 1.000 0.294 CB 1.577 18 residues pruned to eliminate duplicates Z: 52 32.641 2.088 0.554 0.501 0.922 0.549 CB 1.527 52 residues pruned to eliminate duplicates Z: 85 55.077 2.244 0.633 0.552 0.940 0.667 CB 1.657 85 residues pruned to eliminate duplicates Z: 17 20.986 1.971 0.372 0.894 1.000 0.938 CA 1.391 17 residues pruned to eliminate duplicates Z: 35 36.771 2.166 0.795 0.616 0.971 0.794 CB 1.498 35 residues pruned to eliminate duplicates Z: 31 31.314 2.189 0.635 0.570 0.933 0.633 CB 1.599 31 residues pruned to eliminate duplicates Z: 79 41.775 2.140 0.660 0.559 0.872 0.500 CB 1.442 79 residues pruned to eliminate duplicates Z: 71 44.160 2.174 0.688 0.559 0.900 0.457 CB 1.508 71 residues pruned to eliminate duplicates Z: 13 23.659 2.015 0.690 0.914 1.000 0.833 CA 1.417 12 residues pruned to eliminate duplicates Z: 58 42.129 2.243 0.680 0.532 0.912 0.596 CB 1.572 58 residues pruned to eliminate duplicates Z: 13 19.306 2.203 0.697 0.535 0.833 0.750 CB 1.730 13 residues pruned to eliminate duplicates Z: 22 10.210 1.944 0.533 0.273 0.905 0.476 CB 1.068 22 residues pruned to eliminate duplicates Z: 112 59.668 2.217 0.627 0.578 0.937 0.703 CB 1.555 112 residues pruned to eliminate duplicates Z: 36 18.357 1.963 0.473 0.524 0.857 0.486 CB 1.222 36 residues pruned to eliminate duplicates Z: 58 42.887 2.177 0.711 0.637 0.912 0.526 CB 1.470 58 residues pruned to eliminate duplicates Z: 6 5.394 1.826 -0.272 0.796 1.000 0.800 C 1.401 Z: 34 25.333 2.097 0.465 0.532 0.909 0.606 CB 1.530 34 residues pruned to eliminate duplicates Z: 41 36.871 2.238 0.643 0.481 0.950 0.600 CB 1.701 41 residues pruned to eliminate duplicates Z: 82 51.550 2.187 0.747 0.583 0.951 0.593 CB 1.456 82 residues pruned to eliminate duplicates Z: 93 59.855 2.271 0.604 0.571 0.957 0.663 CB 1.672 93 residues pruned to eliminate duplicates Z: 17 37.867 2.277 0.876 0.906 0.875 0.562 CB 1.801 17 residues pruned to eliminate duplicates Z: 13 28.426 2.105 0.742 0.915 1.000 0.917 CB 1.581 13 residues pruned to eliminate duplicates Z: 15 9.695 2.003 0.454 0.355 0.857 0.429 CB 1.214 15 residues pruned to eliminate duplicates Z: 8 10.528 1.738 0.305 0.810 1.000 1.000 CA 1.340 8 residues pruned to eliminate duplicates Z: 85 52.668 2.259 0.609 0.556 0.917 0.655 CB 1.633 85 residues pruned to eliminate duplicates Z: 23 34.326 2.159 0.918 0.625 0.955 0.909 CB 1.645 23 residues pruned to eliminate duplicates Z: 105 60.562 2.235 0.727 0.589 0.923 0.587 CB 1.530 105 residues pruned to eliminate duplicates Z: 56 43.833 2.114 0.727 0.659 0.964 0.582 CB 1.450 56 residues pruned to eliminate duplicates Z: 6 11.540 1.956 0.368 0.715 1.000 0.800 CA 1.587 6 residues pruned to eliminate duplicates Z: 7 12.452 2.108 0.543 0.759 0.833 0.500 CA 1.490 7 residues pruned to eliminate duplicates Z: 41 41.936 2.328 0.718 0.547 0.950 0.725 CB 1.666 41 residues pruned to eliminate duplicates Z: 61 29.489 2.110 0.488 0.482 0.933 0.533 CB 1.323 61 residues pruned to eliminate duplicates Z: 6 2.101 1.339 -0.138 0.763 1.000 0.600 CB 0.644 6 residues pruned to eliminate duplicates Z: 60 39.076 2.267 0.568 0.511 0.915 0.678 CB 1.547 60 residues pruned to eliminate duplicates Z: 24 18.835 2.033 0.505 0.543 0.826 0.696 CB 1.491 24 residues pruned to eliminate duplicates Z: 10 13.240 1.915 0.360 0.607 1.000 0.444 CA 1.531 Z: 6 6.575 2.048 0.645 0.625 0.800 0.600 CB 0.970 6 residues pruned to eliminate duplicates Z: 10 6.289 1.827 -0.057 0.690 0.778 0.222 C 1.314 Z: 9 9.196 1.832 0.391 0.838 0.875 0.625 CA 1.089 9 residues pruned to eliminate duplicates Z: 16 43.290 2.345 0.944 0.950 0.933 0.600 CB 1.812 16 residues pruned to eliminate duplicates Z: 17 30.412 1.996 0.700 0.944 1.000 0.500 CB 1.552 17 residues pruned to eliminate duplicates Z: 8 8.918 1.832 0.423 0.640 0.857 0.429 CA 1.323 8 residues pruned to eliminate duplicates Z: 8 13.357 1.859 0.446 0.870 1.000 0.429 CA 1.371 8 residues pruned to eliminate duplicates Z: 11 12.303 1.951 0.622 0.688 0.800 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 11 16.762 2.072 0.688 0.552 0.900 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 9 11.777 2.014 0.285 0.801 1.000 0.625 CA 1.237 9 residues pruned to eliminate duplicates Z: 34 38.472 2.187 0.727 0.607 1.000 0.818 CB 1.601 34 residues pruned to eliminate duplicates Z: 9 11.802 1.810 0.531 0.861 1.000 0.750 CA 1.106 9 residues pruned to eliminate duplicates Z: 13 25.057 2.056 0.686 0.926 1.000 0.667 CB 1.463 13 residues pruned to eliminate duplicates Z: 6 7.130 1.959 0.124 0.754 1.000 0.200 CA 1.156 6 residues pruned to eliminate duplicates Z: 13 6.015 1.670 0.383 0.294 0.833 0.500 CA 1.136 Z: 10 14.715 1.979 0.493 0.879 0.889 0.667 CB 1.355 10 residues pruned to eliminate duplicates Z: 19 20.821 2.017 0.324 0.829 0.944 0.833 CA 1.465 19 residues pruned to eliminate duplicates Z: 26 19.846 1.919 0.548 0.599 0.960 0.640 CB 1.267 15 residues pruned to eliminate duplicates Z: 107 53.379 2.181 0.735 0.554 0.887 0.642 CB 1.466 107 residues pruned to eliminate duplicates Z: 10 21.987 2.077 0.617 0.795 1.000 0.778 CA 1.685 10 residues pruned to eliminate duplicates Z: 14 23.216 1.965 0.711 0.790 0.923 0.692 CB 1.608 14 residues pruned to eliminate duplicates Z: 70 47.424 2.192 0.681 0.593 0.899 0.638 CB 1.578 70 residues pruned to eliminate duplicates Z: 7 7.064 1.980 0.164 0.429 0.833 0.333 CA 1.617 7 residues pruned to eliminate duplicates Z: 16 26.887 2.110 0.464 0.949 1.000 0.733 CB 1.552 16 residues pruned to eliminate duplicates Z: 11 14.222 1.921 0.614 0.597 1.000 0.800 CB 1.322 11 residues pruned to eliminate duplicates Z: 9 14.045 2.065 0.422 0.881 1.000 0.750 CB 1.225 9 residues pruned to eliminate duplicates Z: 8 9.851 1.999 -0.050 0.696 1.000 0.429 C 1.639 10 residues pruned to eliminate duplicates Z: 8 12.207 2.077 0.456 0.873 1.000 0.857 CB 1.111 8 residues pruned to eliminate duplicates Z: 6 3.382 1.749 0.501 0.282 0.600 0.400 N 1.228 Z: 72 42.312 2.184 0.592 0.540 0.915 0.493 CB 1.517 72 residues pruned to eliminate duplicates Z: 58 45.833 2.165 0.696 0.640 0.965 0.649 CB 1.503 58 residues pruned to eliminate duplicates Z: 7 7.541 2.071 -0.076 0.889 1.000 0.833 CB 1.158 7 residues pruned to eliminate duplicates Z: 12 22.661 2.141 0.365 0.911 1.000 0.909 CB 1.657 12 residues pruned to eliminate duplicates Z: 6 3.717 1.581 0.218 0.298 0.800 0.600 C 1.352 6 residues pruned to eliminate duplicates Z: 17 24.405 2.068 0.342 0.918 1.000 0.750 CA 1.551 17 residues pruned to eliminate duplicates Z: 12 5.503 1.624 0.342 0.851 0.909 0.818 CB 0.620 12 residues pruned to eliminate duplicates Z: 27 24.184 2.133 0.479 0.521 0.923 0.731 CB 1.596 27 residues pruned to eliminate duplicates Z: 7 8.778 1.834 0.362 0.902 1.000 0.833 CB 1.024 7 residues pruned to eliminate duplicates Z: 6 7.630 1.966 0.374 0.691 0.800 0.600 CB 1.327 6 residues pruned to eliminate duplicates Z: 27 23.466 2.172 0.556 0.538 0.846 0.654 CB 1.550 27 residues pruned to eliminate duplicates Z: 14 24.710 2.080 0.795 0.771 0.923 0.769 CA 1.564 14 residues pruned to eliminate duplicates Z: 37 32.192 2.111 0.575 0.657 0.861 0.472 CB 1.619 37 residues pruned to eliminate duplicates Z: 14 17.128 1.944 0.253 0.881 0.923 0.923 CA 1.530 14 residues pruned to eliminate duplicates Z: 17 36.605 2.263 0.759 0.949 0.938 0.688 CA 1.693 17 residues pruned to eliminate duplicates Z: 16 24.264 2.045 0.424 0.895 1.000 0.800 CA 1.542 16 residues pruned to eliminate duplicates Z: 21 36.733 2.254 0.888 0.655 0.950 0.850 CB 1.760 21 residues pruned to eliminate duplicates Z: 23 19.609 1.914 0.658 0.649 0.955 0.591 CB 1.201 23 residues pruned to eliminate duplicates Z: 48 31.842 2.176 0.605 0.508 0.936 0.553 CB 1.410 48 residues pruned to eliminate duplicates Z: 112 61.892 2.233 0.676 0.563 0.946 0.577 CB 1.560 112 residues pruned to eliminate duplicates Z: 18 22.312 1.986 0.392 0.896 0.941 0.941 CB 1.489 18 residues pruned to eliminate duplicates Z: 37 26.045 2.095 0.576 0.473 0.917 0.556 CB 1.474 37 residues pruned to eliminate duplicates Z: 10 9.211 1.562 0.599 0.812 0.889 0.556 CB 1.054 10 residues pruned to eliminate duplicates Z: 60 45.710 2.253 0.712 0.534 0.949 0.661 CB 1.572 60 residues pruned to eliminate duplicates Z: 7 9.371 2.044 0.674 0.637 0.833 0.833 CA 1.180 7 residues pruned to eliminate duplicates Z: 8 12.713 1.807 0.442 0.863 1.000 0.857 CA 1.352 8 residues pruned to eliminate duplicates Z: 94 44.819 2.104 0.595 0.579 0.903 0.581 CB 1.421 94 residues pruned to eliminate duplicates Z: 6 14.741 2.052 0.489 0.826 1.000 1.000 CB 1.627 6 residues pruned to eliminate duplicates Z: 8 6.372 1.650 0.309 0.791 0.857 0.857 CB 1.008 Z: 13 18.009 2.035 0.186 0.923 1.000 0.917 CB 1.514 13 residues pruned to eliminate duplicates Z: 9 4.371 1.646 -0.110 0.635 0.875 0.625 CB 1.061 Z: 77 49.247 2.192 0.644 0.578 0.961 0.566 CB 1.514 77 residues pruned to eliminate duplicates Z: 29 21.911 1.949 0.773 0.559 0.893 0.536 CB 1.268 29 residues pruned to eliminate duplicates Z: 38 31.274 2.150 0.662 0.533 0.946 0.514 CB 1.473 38 residues pruned to eliminate duplicates Z: 44 30.753 2.009 0.576 0.581 0.907 0.419 CB 1.510 44 residues pruned to eliminate duplicates Z: 25 24.113 2.192 0.725 0.516 0.875 0.583 CB 1.464 25 residues pruned to eliminate duplicates Z: 57 46.079 2.230 0.690 0.558 0.929 0.750 CB 1.663 58 residues pruned to eliminate duplicates Z: 14 14.978 1.960 0.151 0.867 0.923 0.923 CB 1.460 14 residues pruned to eliminate duplicates Z: 21 38.554 2.248 0.887 0.700 1.000 0.750 CB 1.694 21 residues pruned to eliminate duplicates Z: 26 9.637 1.886 0.435 0.339 0.760 0.360 CB 1.117 26 residues pruned to eliminate duplicates Z: 71 34.968 2.094 0.588 0.481 0.914 0.586 CB 1.401 71 residues pruned to eliminate duplicates Z: 40 23.551 2.083 0.474 0.555 0.872 0.641 CB 1.336 40 residues pruned to eliminate duplicates Z: 52 38.567 2.234 0.710 0.510 0.902 0.608 CB 1.551 52 residues pruned to eliminate duplicates Z: 11 9.583 1.832 0.538 0.639 0.800 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 7 12.723 1.737 0.874 0.775 1.000 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 80 40.757 2.147 0.464 0.530 0.924 0.557 CB 1.533 80 residues pruned to eliminate duplicates Z: 83 45.949 2.135 0.655 0.565 0.927 0.537 CB 1.454 83 residues pruned to eliminate duplicates Z: 50 45.194 2.199 0.786 0.642 0.918 0.673 CB 1.567 50 residues pruned to eliminate duplicates Z: 50 38.673 2.016 0.689 0.646 0.939 0.612 CB 1.508 50 residues pruned to eliminate duplicates Z: 16 16.675 1.880 0.763 0.498 1.000 0.800 CB 1.302 16 residues pruned to eliminate duplicates Z: 22 42.616 2.272 0.959 0.677 1.000 0.810 CB 1.774 22 residues pruned to eliminate duplicates Z: 12 7.879 1.737 0.642 0.491 0.818 0.545 CB 1.027 12 residues pruned to eliminate duplicates Z: 133 63.712 2.212 0.674 0.558 0.932 0.636 CB 1.518 133 residues pruned to eliminate duplicates Z: 11 4.618 1.735 -0.109 0.557 0.800 0.500 CB 1.117 Z: 34 24.720 2.070 0.522 0.530 0.879 0.576 CB 1.509 34 residues pruned to eliminate duplicates Z: 77 46.021 2.193 0.678 0.566 0.908 0.526 CB 1.482 77 residues pruned to eliminate duplicates Z: 18 10.105 1.987 0.511 0.321 0.824 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 6 9.117 2.157 0.291 0.862 1.000 0.800 CB 1.075 6 residues pruned to eliminate duplicates Z: 37 21.648 2.050 0.508 0.471 0.861 0.583 CB 1.397 37 residues pruned to eliminate duplicates Z: 42 29.015 2.104 0.555 0.560 0.927 0.634 CB 1.410 42 residues pruned to eliminate duplicates Z: 92 44.511 2.111 0.574 0.553 0.912 0.659 CB 1.463 92 residues pruned to eliminate duplicates Z: 7 10.701 1.870 0.235 0.812 1.000 0.833 CA 1.441 7 residues pruned to eliminate duplicates Z: 19 10.588 1.786 0.358 0.438 0.889 0.556 CA 1.233 15 residues pruned to eliminate duplicates Z: 36 39.174 2.152 0.892 0.614 1.000 0.800 CB 1.460 36 residues pruned to eliminate duplicates Z: 30 17.615 1.826 0.510 0.558 0.931 0.655 CB 1.204 30 residues pruned to eliminate duplicates Z: 6 14.300 2.112 0.560 0.735 1.000 0.600 CA 1.571 6 residues pruned to eliminate duplicates Z: 8 9.395 1.869 0.632 0.679 0.857 0.857 CB 1.152 Z: 9 8.631 1.916 0.099 0.830 0.875 0.875 CB 1.244 9 residues pruned to eliminate duplicates Z: 12 9.488 1.825 0.544 0.526 0.818 0.636 CB 1.210 12 residues pruned to eliminate duplicates Z: 35 41.198 2.190 0.806 0.669 0.971 0.824 CB 1.574 34 residues pruned to eliminate duplicates Z: 17 14.395 1.909 0.597 0.567 0.875 0.625 CB 1.265 17 residues pruned to eliminate duplicates Z: 25 21.172 1.926 0.649 0.535 0.958 0.583 CB 1.371 25 residues pruned to eliminate duplicates Z: 7 4.354 2.160 -0.305 0.697 0.667 0.500 CA 1.483 7 residues pruned to eliminate duplicates Z: 93 66.749 2.258 0.776 0.632 0.946 0.652 CB 1.621 93 residues pruned to eliminate duplicates Z: 66 40.679 2.174 0.588 0.537 0.923 0.538 CB 1.526 66 residues pruned to eliminate duplicates Z: 8 8.825 2.076 0.239 0.535 1.000 0.714 CB 1.253 8 residues pruned to eliminate duplicates Z: 48 33.293 2.135 0.659 0.537 0.957 0.574 CB 1.381 48 residues pruned to eliminate duplicates Z: 37 31.754 2.136 0.755 0.573 0.889 0.500 CB 1.481 37 residues pruned to eliminate duplicates Z: 30 28.300 2.278 0.707 0.411 0.897 0.517 CB 1.654 30 residues pruned to eliminate duplicates Z: 19 23.175 2.092 0.503 0.578 1.000 0.556 CB 1.612 19 residues pruned to eliminate duplicates Z: 20 21.081 2.022 0.490 0.616 0.947 0.579 CB 1.518 20 residues pruned to eliminate duplicates Z: 91 44.626 2.088 0.599 0.572 0.911 0.633 CB 1.442 91 residues pruned to eliminate duplicates Z: 96 60.394 2.248 0.682 0.608 0.958 0.695 CB 1.544 96 residues pruned to eliminate duplicates Z: 37 26.500 2.254 0.409 0.471 0.944 0.639 CB 1.517 37 residues pruned to eliminate duplicates Z: 10 23.727 2.159 0.877 0.635 1.000 0.778 CB 1.720 10 residues pruned to eliminate duplicates Z: 9 14.462 1.967 0.695 0.623 0.875 0.625 C 1.560 9 residues pruned to eliminate duplicates Z: 17 14.368 1.621 0.675 0.655 1.000 0.812 CB 1.145 16 residues pruned to eliminate duplicates Z: 10 5.789 1.647 -0.239 0.725 0.889 0.556 CB 1.414 8 residues pruned to eliminate duplicates Z: 9 4.664 1.736 0.360 0.364 0.750 0.375 CA 1.078 9 residues pruned to eliminate duplicates Z: 19 12.605 1.968 0.386 0.544 0.833 0.667 CB 1.252 28 residues pruned to eliminate duplicates Z: 65 47.886 2.194 0.765 0.609 0.906 0.719 CB 1.537 65 residues pruned to eliminate duplicates Z: 93 46.167 2.121 0.509 0.595 0.935 0.663 CB 1.469 93 residues pruned to eliminate duplicates Z: 9 9.048 1.842 0.722 0.673 0.750 0.500 CA 1.146 9 residues pruned to eliminate duplicates Z: 12 10.167 1.721 0.408 0.603 0.818 0.364 CA 1.402 12 residues pruned to eliminate duplicates Z: 10 7.060 1.850 -0.099 0.727 0.778 0.667 C 1.479 10 residues pruned to eliminate duplicates Z: 7 4.723 1.728 0.039 0.795 0.833 0.667 CB 0.995 7 residues pruned to eliminate duplicates Z: 48 26.231 2.151 0.473 0.461 0.872 0.617 CB 1.441 47 residues pruned to eliminate duplicates Z: 6 5.708 1.985 -0.380 0.817 1.000 0.800 CB 1.574 6 residues pruned to eliminate duplicates Z: 10 5.073 1.598 0.119 0.300 0.889 0.556 CB 1.330 Z: 51 35.128 2.171 0.611 0.504 0.920 0.620 CB 1.538 57 residues pruned to eliminate duplicates Z: 28 23.338 1.986 0.622 0.611 0.889 0.630 CB 1.412 28 residues pruned to eliminate duplicates Z: 8 3.775 1.761 0.151 0.560 0.714 0.429 CB 0.930 8 residues pruned to eliminate duplicates Z: 50 38.170 2.158 0.616 0.632 0.918 0.592 CB 1.504 50 residues pruned to eliminate duplicates Z: 9 9.111 1.637 0.467 0.803 1.000 0.500 CA 1.029 9 residues pruned to eliminate duplicates Z: 12 29.201 2.259 0.917 0.704 1.000 1.000 CB 1.689 12 residues pruned to eliminate duplicates Z: 18 15.118 1.939 0.261 0.614 0.941 0.647 CB 1.430 18 residues pruned to eliminate duplicates Z: 6 2.859 1.814 -0.037 0.377 0.800 0.600 CB 1.043 6 residues pruned to eliminate duplicates Z: 6 3.181 1.837 0.314 0.122 0.600 0.400 CB 1.579 Z: 7 3.283 1.551 0.208 0.417 0.833 0.500 CA 0.936 Z: 6 4.792 1.758 0.451 0.502 1.000 0.600 N 0.839 Z: 24 21.325 2.159 0.480 0.495 0.957 0.696 CB 1.462 24 residues pruned to eliminate duplicates Z: 12 7.086 1.950 0.393 0.323 0.818 0.455 CB 1.167 12 residues pruned to eliminate duplicates Z: 43 29.156 2.048 0.616 0.420 0.952 0.476 CB 1.551 43 residues pruned to eliminate duplicates Z: 17 6.401 1.897 0.316 0.236 0.750 0.438 CB 1.162 17 residues pruned to eliminate duplicates Z: 16 31.562 2.117 0.783 0.946 1.000 0.533 CB 1.492 16 residues pruned to eliminate duplicates Z: 7 4.857 1.815 0.002 0.403 0.833 0.500 CB 1.448 Z: 35 19.470 1.941 0.396 0.522 0.941 0.559 CB 1.280 35 residues pruned to eliminate duplicates Z: 62 38.085 2.206 0.624 0.492 0.934 0.672 CB 1.469 62 residues pruned to eliminate duplicates Z: 41 32.412 2.057 0.564 0.606 0.900 0.575 CA 1.600 41 residues pruned to eliminate duplicates Z: 29 16.137 2.028 0.500 0.423 0.929 0.571 CB 1.169 29 residues pruned to eliminate duplicates Z: 14 13.238 1.937 -0.002 0.905 0.923 0.923 CA 1.464 14 residues pruned to eliminate duplicates Z: 13 7.721 1.728 0.231 0.371 1.000 0.583 CB 1.203 13 residues pruned to eliminate duplicates Z: 12 29.195 2.117 0.839 0.915 1.000 0.909 CB 1.598 12 residues pruned to eliminate duplicates Z: 7 9.683 1.694 0.559 0.812 1.000 0.667 CB 1.142 7 residues pruned to eliminate duplicates Z: 48 33.807 2.176 0.503 0.580 0.936 0.553 CB 1.492 48 residues pruned to eliminate duplicates Z: 40 33.144 2.180 0.631 0.548 0.923 0.564 CB 1.542 40 residues pruned to eliminate duplicates Z: 27 23.804 2.193 0.607 0.419 1.000 0.615 CB 1.442 27 residues pruned to eliminate duplicates Z: 79 47.651 2.203 0.652 0.565 0.936 0.526 CB 1.487 79 residues pruned to eliminate duplicates Z: 8 13.171 1.836 0.482 0.814 1.000 0.429 CA 1.392 8 residues pruned to eliminate duplicates Z: 27 21.286 2.146 0.387 0.431 1.000 0.538 CB 1.506 27 residues pruned to eliminate duplicates Z: 83 46.964 2.091 0.598 0.617 0.951 0.610 CB 1.462 83 residues pruned to eliminate duplicates Z: 10 17.017 1.816 0.724 0.898 1.000 0.778 CB 1.295 10 residues pruned to eliminate duplicates Z: 12 7.780 1.755 0.474 0.432 0.909 0.545 CB 1.071 12 residues pruned to eliminate duplicates Z: 38 32.142 2.250 0.542 0.457 1.000 0.568 CB 1.592 38 residues pruned to eliminate duplicates Z: 15 4.154 1.705 0.378 0.384 0.714 0.643 CB 0.748 Z: 11 19.959 2.044 0.518 0.903 1.000 0.800 CB 1.450 11 residues pruned to eliminate duplicates Z: 23 28.661 2.099 0.704 0.687 0.909 0.682 CA 1.583 23 residues pruned to eliminate duplicates Z: 26 19.559 2.164 0.712 0.340 0.880 0.600 CB 1.428 26 residues pruned to eliminate duplicates Z: 16 26.119 2.020 0.577 0.930 1.000 0.800 CB 1.481 16 residues pruned to eliminate duplicates Z: 13 8.375 1.583 0.685 0.513 0.917 0.500 CB 0.976 13 residues pruned to eliminate duplicates Z: 24 19.902 1.906 0.501 0.596 0.913 0.652 CB 1.450 34 residues pruned to eliminate duplicates Z: 9 8.201 1.639 0.835 0.502 0.750 0.750 N 1.282 Z: 64 41.785 2.187 0.591 0.590 0.873 0.635 CB 1.590 64 residues pruned to eliminate duplicates Z: 11 23.818 2.131 0.533 0.828 1.000 0.600 CA 1.737 11 residues pruned to eliminate duplicates Z: 8 5.559 1.680 0.183 0.536 0.857 0.714 CB 1.191 Z: 6 4.253 1.437 0.779 0.488 0.800 0.800 C 0.941 6 residues pruned to eliminate duplicates Z: 10 8.797 1.609 0.469 0.894 1.000 0.556 CB 0.890 10 residues pruned to eliminate duplicates Z: 9 4.400 1.440 0.298 0.610 0.750 0.500 CB 1.000 9 residues pruned to eliminate duplicates Z: 13 19.239 2.140 0.597 0.717 0.917 0.583 CB 1.457 13 residues pruned to eliminate duplicates Z: 17 12.407 2.038 0.684 0.451 0.875 0.750 CB 1.086 17 residues pruned to eliminate duplicates Z: 9 5.954 1.626 0.109 0.831 1.000 0.625 CB 0.877 9 residues pruned to eliminate duplicates Z: 12 14.499 1.818 0.785 0.595 1.000 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 9 7.504 1.541 0.202 0.806 1.000 0.625 CA 1.097 9 residues pruned to eliminate duplicates Z: 17 29.053 2.075 0.671 0.903 1.000 0.625 CB 1.493 17 residues pruned to eliminate duplicates Z: 20 15.043 2.050 0.482 0.433 0.842 0.579 CB 1.446 20 residues pruned to eliminate duplicates Z: 33 27.016 2.106 0.473 0.645 0.906 0.719 CB 1.484 33 residues pruned to eliminate duplicates Z: 15 19.693 1.948 0.406 0.896 1.000 1.000 CB 1.377 15 residues pruned to eliminate duplicates Z: 48 39.812 2.242 0.636 0.521 0.936 0.660 CB 1.656 58 residues pruned to eliminate duplicates Z: 14 15.024 1.950 0.908 0.523 0.923 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 16 10.823 1.963 0.310 0.339 0.933 0.533 CB 1.388 16 residues pruned to eliminate duplicates Z: 47 29.625 2.135 0.481 0.497 0.957 0.478 CB 1.450 47 residues pruned to eliminate duplicates Z: 48 31.953 2.139 0.634 0.497 0.957 0.596 CB 1.397 48 residues pruned to eliminate duplicates Z: 8 3.539 1.632 -0.107 0.590 0.857 0.714 CB 0.982 7 residues pruned to eliminate duplicates Z: 13 7.897 1.720 0.449 0.441 0.833 0.500 CB 1.166 19 residues pruned to eliminate duplicates Z: 11 9.735 1.738 0.542 0.677 0.900 0.700 CB 1.084 11 residues pruned to eliminate duplicates Z: 10 3.695 1.589 -0.017 0.394 0.667 0.444 CB 1.324 10 residues pruned to eliminate duplicates Z: 46 44.122 2.199 0.762 0.659 0.933 0.667 CB 1.569 46 residues pruned to eliminate duplicates Z: 8 4.852 1.454 0.320 0.536 0.714 0.429 CB 1.291 8 residues pruned to eliminate duplicates Z: 9 12.002 1.918 0.631 0.696 1.000 0.875 CB 1.134 9 residues pruned to eliminate duplicates Z: 8 5.855 1.784 0.146 0.798 0.857 0.571 CB 0.973 8 residues pruned to eliminate duplicates Z: 22 34.485 2.141 0.962 0.657 0.952 0.762 CB 1.627 23 residues pruned to eliminate duplicates Z: 6 2.647 1.808 0.071 0.444 1.000 0.400 CB 0.647 6 residues pruned to eliminate duplicates Z: 25 10.643 1.617 0.502 0.401 0.917 0.500 CA 1.083 20 residues pruned to eliminate duplicates Z: 16 10.579 1.825 0.594 0.549 0.800 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 7 8.078 1.901 0.389 0.394 1.000 0.667 N 1.397 Z: 8 7.322 2.010 0.406 0.426 1.000 0.571 CB 1.058 8 residues pruned to eliminate duplicates Z: 32 15.668 1.957 0.490 0.490 0.839 0.613 CB 1.163 32 residues pruned to eliminate duplicates Z: 16 24.714 2.233 0.301 0.909 0.933 0.733 CB 1.671 16 residues pruned to eliminate duplicates Z: 45 38.105 2.023 0.648 0.662 0.932 0.659 CB 1.592 45 residues pruned to eliminate duplicates Z: 8 15.109 1.625 0.822 0.864 1.000 0.714 CA 1.415 8 residues pruned to eliminate duplicates Z: 9 10.613 2.009 0.371 0.852 1.000 0.375 CB 1.008 9 residues pruned to eliminate duplicates Z: 44 38.813 2.062 0.685 0.641 0.907 0.558 CB 1.647 19 residues pruned to eliminate duplicates Z: 30 19.522 2.074 0.408 0.492 0.828 0.690 CB 1.511 30 residues pruned to eliminate duplicates Z: 26 15.546 2.095 0.412 0.286 0.880 0.480 CB 1.518 26 residues pruned to eliminate duplicates Z: 15 20.992 2.023 0.990 0.494 1.000 0.571 CB 1.402 23 residues pruned to eliminate duplicates Z: 15 15.003 1.982 0.701 0.471 0.857 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 21 29.033 2.386 0.658 0.397 0.950 0.550 CB 1.925 21 residues pruned to eliminate duplicates Z: 28 31.697 2.197 0.805 0.625 0.852 0.704 CB 1.606 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 43.315 2.193 0.946 0.637 0.941 0.706 CB 1.626 35 residues pruned to eliminate duplicates Z: 22 42.665 2.254 1.041 0.668 1.000 0.857 CB 1.732 22 residues pruned to eliminate duplicates Z: 23 33.924 2.184 0.967 0.621 0.909 0.682 CB 1.651 23 residues pruned to eliminate duplicates Z: 34 46.408 2.241 0.941 0.655 0.970 0.848 CB 1.659 34 residues pruned to eliminate duplicates Z: 22 42.832 2.268 1.064 0.651 1.000 0.905 CB 1.734 22 residues pruned to eliminate duplicates Z: 23 37.805 2.221 1.006 0.640 0.955 0.818 CB 1.663 23 residues pruned to eliminate duplicates Z: 23 37.280 2.174 1.023 0.627 0.955 0.773 CB 1.679 23 residues pruned to eliminate duplicates Z: 23 41.625 2.215 1.207 0.627 0.955 0.773 CB 1.688 23 residues pruned to eliminate duplicates Z: 22 41.444 2.239 1.128 0.646 0.952 0.714 CA 1.740 22 residues pruned to eliminate duplicates Z: 22 40.910 2.244 1.073 0.653 0.952 0.810 CA 1.747 22 residues pruned to eliminate duplicates Z: 34 47.933 2.250 0.961 0.646 1.000 0.848 CB 1.650 34 residues pruned to eliminate duplicates Z: 23 36.652 2.214 0.932 0.617 0.955 0.773 CB 1.714 23 residues pruned to eliminate duplicates Z: 34 47.124 2.228 0.971 0.657 0.970 0.788 CB 1.665 34 residues pruned to eliminate duplicates Z: 22 38.005 2.226 0.955 0.634 0.952 0.762 CA 1.764 22 residues pruned to eliminate duplicates Z: 22 38.575 2.228 1.035 0.655 0.952 0.762 CB 1.687 22 residues pruned to eliminate duplicates Z: 35 43.455 2.197 0.902 0.632 0.941 0.853 CB 1.674 35 residues pruned to eliminate duplicates Z: 33 44.768 2.242 0.883 0.669 0.969 0.844 CB 1.655 33 residues pruned to eliminate duplicates Z: 22 44.920 2.290 1.116 0.690 0.952 0.810 CA 1.786 22 residues pruned to eliminate duplicates Z: 6 2.093 1.409 0.552 0.406 0.600 0.400 CB 0.787 Z: 6 5.605 1.827 0.555 0.357 1.000 0.800 CB 1.029 6 residues pruned to eliminate duplicates Z: 13 23.216 2.211 0.740 0.634 0.917 0.833 CB 1.676 13 residues pruned to eliminate duplicates Z: 36 34.750 2.166 0.737 0.561 0.943 0.771 CB 1.560 41 residues pruned to eliminate duplicates Z: 6 2.738 1.424 0.113 0.361 1.000 0.400 N 0.898 6 residues pruned to eliminate duplicates Z: 13 16.189 2.058 0.648 0.544 0.917 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 147 68.157 2.207 0.685 0.566 0.918 0.671 CB 1.551 147 residues pruned to eliminate duplicates Z: 124 61.761 2.198 0.665 0.541 0.927 0.675 CB 1.578 124 residues pruned to eliminate duplicates Z: 10 12.140 2.068 0.676 0.526 0.889 0.667 CB 1.281 10 residues pruned to eliminate duplicates Z: 34 25.177 2.102 0.536 0.601 0.879 0.727 CB 1.402 34 residues pruned to eliminate duplicates Z: 12 10.093 2.052 0.781 0.439 0.818 0.636 CB 1.084 12 residues pruned to eliminate duplicates Z: 17 11.461 2.037 0.628 0.484 0.875 0.688 CB 1.003 17 residues pruned to eliminate duplicates Z: 60 44.108 2.264 0.587 0.533 0.983 0.780 CB 1.574 60 residues pruned to eliminate duplicates Z: 54 45.810 2.234 0.680 0.526 1.000 0.642 CB 1.634 54 residues pruned to eliminate duplicates Z: 104 60.198 2.240 0.713 0.586 0.913 0.689 CB 1.559 104 residues pruned to eliminate duplicates Z: 58 44.597 2.251 0.685 0.521 0.930 0.702 CB 1.640 58 residues pruned to eliminate duplicates Z: 78 54.588 2.214 0.654 0.586 0.987 0.740 CB 1.584 78 residues pruned to eliminate duplicates Z: 27 21.196 2.078 0.315 0.636 0.885 0.692 CB 1.515 27 residues pruned to eliminate duplicates Z: 59 48.134 2.266 0.710 0.550 0.966 0.690 CB 1.609 59 residues pruned to eliminate duplicates Z: 33 35.275 2.157 0.652 0.620 0.938 0.781 CB 1.666 33 residues pruned to eliminate duplicates Z: 53 42.793 2.219 0.694 0.536 0.962 0.712 CB 1.586 53 residues pruned to eliminate duplicates Z: 103 58.550 2.248 0.669 0.564 0.931 0.667 CB 1.559 103 residues pruned to eliminate duplicates Z: 80 46.565 2.199 0.609 0.555 0.937 0.709 CB 1.498 80 residues pruned to eliminate duplicates Z: 103 62.639 2.247 0.705 0.577 0.971 0.647 CB 1.549 103 residues pruned to eliminate duplicates Z: 100 59.397 2.229 0.658 0.566 0.970 0.667 CB 1.562 100 residues pruned to eliminate duplicates Z: 125 56.423 2.194 0.539 0.536 0.944 0.653 CB 1.535 125 residues pruned to eliminate duplicates Z: 47 27.576 2.181 0.443 0.502 0.826 0.587 CB 1.560 47 residues pruned to eliminate duplicates Z: 33 29.481 2.185 0.547 0.578 0.906 0.688 CB 1.578 33 residues pruned to eliminate duplicates Z: 104 57.593 2.240 0.620 0.570 0.942 0.689 CB 1.552 104 residues pruned to eliminate duplicates Z: 145 59.321 2.193 0.596 0.531 0.931 0.604 CB 1.473 145 residues pruned to eliminate duplicates Z: 28 26.032 2.044 0.486 0.627 0.963 0.741 CA 1.520 28 residues pruned to eliminate duplicates Z: 135 59.649 2.194 0.622 0.538 0.933 0.672 CB 1.496 135 residues pruned to eliminate duplicates Z: 34 29.698 2.167 0.583 0.578 0.939 0.636 CB 1.488 34 residues pruned to eliminate duplicates Z: 43 38.045 2.251 0.557 0.515 0.976 0.690 CB 1.691 43 residues pruned to eliminate duplicates Z: 105 55.733 2.223 0.617 0.559 0.933 0.702 CB 1.539 105 residues pruned to eliminate duplicates Z: 33 28.131 2.172 0.486 0.581 0.906 0.688 CB 1.573 33 residues pruned to eliminate duplicates Z: 60 41.129 2.269 0.643 0.533 0.915 0.695 CB 1.520 60 residues pruned to eliminate duplicates Z: 34 30.540 2.145 0.672 0.594 0.879 0.727 CB 1.542 34 residues pruned to eliminate duplicates Z: 43 29.856 2.225 0.485 0.484 0.881 0.690 CB 1.608 43 residues pruned to eliminate duplicates Z: 105 57.252 2.219 0.642 0.564 0.923 0.663 CB 1.569 105 residues pruned to eliminate duplicates Z: 104 57.680 2.240 0.658 0.545 0.951 0.631 CB 1.539 104 residues pruned to eliminate duplicates Z: 111 54.157 2.214 0.632 0.514 0.900 0.564 CB 1.566 111 residues pruned to eliminate duplicates Z: 104 56.297 2.229 0.646 0.547 0.922 0.631 CB 1.565 104 residues pruned to eliminate duplicates Z: 105 62.232 2.245 0.708 0.569 0.942 0.673 CB 1.579 105 residues pruned to eliminate duplicates Z: 83 58.754 2.283 0.678 0.580 0.963 0.707 CB 1.628 83 residues pruned to eliminate duplicates Z: 88 58.679 2.252 0.701 0.557 0.989 0.678 CB 1.573 88 residues pruned to eliminate duplicates Z: 104 58.283 2.244 0.698 0.574 0.913 0.680 CB 1.538 104 residues pruned to eliminate duplicates Z: 114 57.076 2.202 0.629 0.564 0.938 0.646 CB 1.499 114 residues pruned to eliminate duplicates Z: 81 49.507 2.212 0.670 0.532 0.938 0.575 CB 1.549 81 residues pruned to eliminate duplicates Z: 82 44.527 2.173 0.596 0.513 0.926 0.630 CB 1.521 82 residues pruned to eliminate duplicates Z: 84 60.737 2.296 0.713 0.583 0.952 0.675 CB 1.646 84 residues pruned to eliminate duplicates Z: 81 48.838 2.230 0.654 0.549 0.913 0.637 CB 1.547 81 residues pruned to eliminate duplicates Z: 56 46.776 2.290 0.684 0.551 0.945 0.709 CB 1.646 56 residues pruned to eliminate duplicates Z: 84 56.198 2.273 0.635 0.564 0.940 0.663 CB 1.660 84 residues pruned to eliminate duplicates Z: 87 53.793 2.241 0.606 0.571 0.930 0.709 CB 1.618 87 residues pruned to eliminate duplicates Z: 106 53.764 2.238 0.524 0.569 0.924 0.667 CB 1.557 106 residues pruned to eliminate duplicates Z: 46 39.883 2.306 0.636 0.538 0.911 0.689 CB 1.667 46 residues pruned to eliminate duplicates Z: 106 62.049 2.244 0.702 0.574 0.943 0.705 CB 1.565 106 residues pruned to eliminate duplicates Z: 61 43.332 2.258 0.576 0.557 0.967 0.733 CB 1.537 61 residues pruned to eliminate duplicates Z: 70 50.541 2.267 0.621 0.613 0.971 0.696 CB 1.533 70 residues pruned to eliminate duplicates Z: 105 56.617 2.241 0.581 0.586 0.933 0.712 CB 1.547 105 residues pruned to eliminate duplicates Z: 116 60.229 2.228 0.609 0.576 0.922 0.661 CB 1.580 116 residues pruned to eliminate duplicates Z: 105 61.050 2.230 0.665 0.610 0.942 0.673 CB 1.542 105 residues pruned to eliminate duplicates Z: 106 60.932 2.233 0.680 0.591 0.933 0.695 CB 1.556 106 residues pruned to eliminate duplicates Z: 91 51.600 2.209 0.604 0.568 0.956 0.633 CB 1.504 91 residues pruned to eliminate duplicates Z: 125 60.239 2.220 0.634 0.527 0.935 0.621 CB 1.552 125 residues pruned to eliminate duplicates Z: 82 48.314 2.236 0.579 0.550 0.951 0.679 CB 1.525 82 residues pruned to eliminate duplicates Z: 73 45.140 2.211 0.595 0.559 0.944 0.653 CB 1.508 73 residues pruned to eliminate duplicates Z: 105 63.908 2.242 0.707 0.601 0.952 0.702 CB 1.562 105 residues pruned to eliminate duplicates Z: 97 61.053 2.249 0.691 0.604 0.948 0.698 CB 1.565 97 residues pruned to eliminate duplicates Z: 96 58.882 2.251 0.665 0.602 0.926 0.705 CB 1.579 96 residues pruned to eliminate duplicates Z: 133 55.291 2.191 0.615 0.521 0.902 0.545 CB 1.477 133 residues pruned to eliminate duplicates Z: 105 58.746 2.227 0.664 0.581 0.933 0.625 CB 1.541 105 residues pruned to eliminate duplicates Z: 82 50.637 2.176 0.756 0.534 0.938 0.580 CB 1.518 82 residues pruned to eliminate duplicates Z: 105 61.691 2.226 0.709 0.582 0.942 0.577 CB 1.560 105 residues pruned to eliminate duplicates Z: 131 58.791 2.196 0.663 0.525 0.923 0.523 CB 1.493 131 residues pruned to eliminate duplicates Z: 51 44.467 2.198 0.721 0.653 0.940 0.660 CB 1.534 51 residues pruned to eliminate duplicates Z: 53 43.378 2.175 0.791 0.641 0.904 0.558 CB 1.497 53 residues pruned to eliminate duplicates Z: 105 58.407 2.228 0.701 0.566 0.913 0.567 CB 1.552 105 residues pruned to eliminate duplicates Z: 51 44.270 2.184 0.748 0.645 0.940 0.500 CB 1.523 51 residues pruned to eliminate duplicates Z: 100 56.532 2.222 0.707 0.583 0.889 0.576 CB 1.557 100 residues pruned to eliminate duplicates Z: 50 44.338 2.218 0.783 0.655 0.918 0.571 CB 1.511 50 residues pruned to eliminate duplicates Z: 105 55.392 2.204 0.683 0.581 0.913 0.510 CB 1.482 105 residues pruned to eliminate duplicates Z: 52 43.840 2.146 0.748 0.632 0.961 0.529 CB 1.505 52 residues pruned to eliminate duplicates Z: 50 45.705 2.183 0.829 0.650 0.959 0.469 CB 1.482 50 residues pruned to eliminate duplicates Z: 50 44.103 2.221 0.750 0.660 0.918 0.571 CB 1.522 50 residues pruned to eliminate duplicates Z: 133 60.271 2.200 0.638 0.530 0.924 0.561 CB 1.529 133 residues pruned to eliminate duplicates Z: 30 33.952 2.228 0.861 0.568 0.897 0.690 CB 1.588 30 residues pruned to eliminate duplicates Z: 108 58.506 2.201 0.693 0.574 0.935 0.636 CB 1.512 108 residues pruned to eliminate duplicates Z: 113 66.657 2.244 0.713 0.607 0.946 0.714 CB 1.564 113 residues pruned to eliminate duplicates Z: 105 60.774 2.217 0.681 0.585 0.952 0.577 CB 1.548 105 residues pruned to eliminate duplicates Z: 49 43.840 2.201 0.822 0.660 0.896 0.500 CB 1.518 49 residues pruned to eliminate duplicates Z: 83 60.463 2.161 0.865 0.615 0.963 0.573 CB 1.542 99 residues pruned to eliminate duplicates Z: 10 10.320 2.009 0.605 0.601 0.667 0.444 CA 1.453 10 residues pruned to eliminate duplicates Z: 110 61.165 2.206 0.679 0.583 0.945 0.578 CB 1.546 110 residues pruned to eliminate duplicates Z: 52 46.105 2.166 0.817 0.650 0.922 0.529 CB 1.548 52 residues pruned to eliminate duplicates Z: 84 63.171 2.259 0.789 0.607 0.964 0.590 CB 1.609 84 residues pruned to eliminate duplicates Z: 108 58.868 2.220 0.683 0.592 0.907 0.636 CB 1.538 108 residues pruned to eliminate duplicates Z: 50 44.120 2.169 0.787 0.641 0.939 0.449 CB 1.518 50 residues pruned to eliminate duplicates Z: 47 44.948 2.184 0.816 0.616 0.935 0.609 CB 1.601 47 residues pruned to eliminate duplicates Z: 52 45.324 2.161 0.737 0.664 0.941 0.549 CB 1.543 52 residues pruned to eliminate duplicates Z: 55 35.380 2.170 0.590 0.530 0.852 0.500 CB 1.590 55 residues pruned to eliminate duplicates Z: 85 60.463 2.261 0.713 0.610 0.940 0.607 CB 1.632 85 residues pruned to eliminate duplicates Z: 50 48.103 2.223 0.773 0.652 0.959 0.571 CB 1.578 50 residues pruned to eliminate duplicates Z: 51 44.534 2.189 0.709 0.657 0.960 0.600 CB 1.516 51 residues pruned to eliminate duplicates Z: 104 61.936 2.247 0.709 0.603 0.942 0.641 CB 1.530 104 residues pruned to eliminate duplicates Z: 59 45.564 2.166 0.708 0.652 0.948 0.586 CB 1.480 59 residues pruned to eliminate duplicates Z: 112 61.113 2.218 0.668 0.594 0.946 0.613 CB 1.516 112 residues pruned to eliminate duplicates Z: 58 49.232 2.239 0.723 0.636 0.947 0.596 CB 1.570 58 residues pruned to eliminate duplicates Z: 57 50.078 2.250 0.713 0.654 0.946 0.679 CB 1.589 57 residues pruned to eliminate duplicates Z: 79 46.477 2.172 0.674 0.557 0.923 0.462 CB 1.483 79 residues pruned to eliminate duplicates Z: 58 45.219 2.209 0.710 0.608 0.947 0.544 CB 1.510 58 residues pruned to eliminate duplicates Z: 77 45.383 2.190 0.613 0.562 0.934 0.487 CB 1.486 77 residues pruned to eliminate duplicates Z: 73 48.216 2.203 0.668 0.579 0.958 0.556 CB 1.495 73 residues pruned to eliminate duplicates Z: 92 46.105 2.184 0.610 0.485 0.923 0.582 CB 1.512 92 residues pruned to eliminate duplicates Z: 79 44.514 2.160 0.612 0.570 0.910 0.538 CB 1.486 79 residues pruned to eliminate duplicates Z: 59 51.444 2.204 0.745 0.672 0.948 0.586 CB 1.581 59 residues pruned to eliminate duplicates Z: 32 17.358 2.112 0.334 0.389 0.903 0.548 CB 1.378 32 residues pruned to eliminate duplicates Z: 102 43.390 2.135 0.627 0.513 0.871 0.505 CB 1.408 102 residues pruned to eliminate duplicates Z: 23 10.424 2.018 0.329 0.319 0.864 0.364 CB 1.172 Z: 7 4.432 1.511 0.364 0.476 1.000 0.667 CA 0.899 Z: 7 6.117 1.574 0.465 0.437 1.000 0.333 CB 1.156 Z: 14 17.087 2.068 0.461 0.660 1.000 0.538 CA 1.352 4 residues pruned to eliminate duplicates Z: 10 15.378 2.081 0.616 0.550 0.889 0.333 CA 1.633 10 residues pruned to eliminate duplicates Z: 42 20.632 2.022 0.490 0.461 0.854 0.512 CB 1.304 32 residues pruned to eliminate duplicates Z: 10 15.691 2.123 0.738 0.720 0.889 0.556 CA 1.307 10 residues pruned to eliminate duplicates Z: 16 20.362 2.191 0.718 0.580 0.933 0.533 CB 1.385 16 residues pruned to eliminate duplicates Z: 28 24.881 2.074 0.706 0.584 0.889 0.556 CB 1.405 34 residues pruned to eliminate duplicates Z: 10 19.106 2.142 0.763 0.721 1.000 0.667 CA 1.382 10 residues pruned to eliminate duplicates Z: 100 49.798 2.160 0.677 0.563 0.899 0.606 CB 1.446 151 residues pruned to eliminate duplicates Z: 32 22.867 1.943 0.770 0.498 0.903 0.613 CB 1.324 Z: 6 5.028 1.693 0.532 0.339 1.000 0.800 CB 1.033 6 residues pruned to eliminate duplicates Z: 28 23.167 2.066 0.618 0.547 0.963 0.667 CB 1.323 32 residues pruned to eliminate duplicates Z: 6 10.137 1.887 1.128 0.366 1.000 0.400 CA 1.303 6 residues pruned to eliminate duplicates Z: 11 15.029 2.221 0.670 0.470 0.800 0.600 CB 1.651 11 residues pruned to eliminate duplicates Z: 9 16.746 2.167 0.879 0.545 0.875 0.750 CB 1.590 9 residues pruned to eliminate duplicates Z: 8 11.569 2.192 0.293 0.654 1.000 0.714 CB 1.336 8 residues pruned to eliminate duplicates Z: 10 11.993 2.248 0.493 0.499 0.778 0.667 CB 1.533 10 residues pruned to eliminate duplicates Z: 9 12.226 2.250 0.623 0.552 0.750 0.625 CB 1.500 9 residues pruned to eliminate duplicates Z: 34 20.073 1.989 0.524 0.497 0.909 0.576 CB 1.272 34 residues pruned to eliminate duplicates Z: 33 17.431 2.001 0.454 0.539 0.844 0.625 CB 1.208 33 residues pruned to eliminate duplicates Z: 33 20.033 1.994 0.531 0.554 0.844 0.625 CB 1.305 33 residues pruned to eliminate duplicates Z: 21 16.580 2.021 0.417 0.622 0.950 0.600 CB 1.215 21 residues pruned to eliminate duplicates Z: 22 17.268 1.992 0.425 0.605 0.952 0.619 CB 1.261 22 residues pruned to eliminate duplicates Z: 23 16.505 1.940 0.352 0.624 0.909 0.682 CB 1.313 23 residues pruned to eliminate duplicates Z: 49 33.265 2.159 0.626 0.468 0.979 0.562 CB 1.443 49 residues pruned to eliminate duplicates Z: 21 18.818 2.020 0.671 0.599 0.900 0.500 CB 1.260 21 residues pruned to eliminate duplicates Z: 47 28.720 2.167 0.521 0.433 0.978 0.478 CB 1.407 47 residues pruned to eliminate duplicates Z: 25 16.428 1.904 0.468 0.558 0.917 0.458 CB 1.237 25 residues pruned to eliminate duplicates Z: 20 20.208 2.025 0.626 0.685 1.000 0.632 CB 1.189 20 residues pruned to eliminate duplicates Z: 21 15.602 2.030 0.363 0.633 0.950 0.600 CB 1.171 21 residues pruned to eliminate duplicates Z: 20 18.358 2.042 0.456 0.575 0.947 0.632 CB 1.390 20 residues pruned to eliminate duplicates Z: 49 30.044 2.151 0.458 0.493 0.958 0.500 CB 1.453 49 residues pruned to eliminate duplicates Z: 48 28.663 2.167 0.505 0.479 0.915 0.489 CB 1.431 48 residues pruned to eliminate duplicates Z: 21 19.109 2.056 0.492 0.604 1.000 0.650 CB 1.262 21 residues pruned to eliminate duplicates Z: 94 43.588 2.088 0.485 0.553 0.946 0.602 CB 1.463 94 residues pruned to eliminate duplicates Z: 21 19.347 1.993 0.576 0.657 0.900 0.650 CB 1.324 21 residues pruned to eliminate duplicates Z: 48 35.550 2.198 0.593 0.532 0.979 0.638 CB 1.466 48 residues pruned to eliminate duplicates Z: 51 28.394 2.116 0.583 0.454 0.940 0.560 CB 1.337 51 residues pruned to eliminate duplicates Z: 13 15.090 2.107 0.577 0.590 0.833 0.500 CA 1.443 13 residues pruned to eliminate duplicates Z: 87 40.926 2.114 0.559 0.525 0.907 0.605 CB 1.441 87 residues pruned to eliminate duplicates Z: 63 32.718 2.133 0.517 0.475 0.935 0.565 CB 1.409 63 residues pruned to eliminate duplicates Z: 29 31.092 2.290 0.823 0.467 0.929 0.500 CB 1.567 29 residues pruned to eliminate duplicates Z: 27 22.029 2.268 0.746 0.373 0.885 0.500 CB 1.413 27 residues pruned to eliminate duplicates Z: 46 29.511 2.167 0.561 0.479 0.911 0.578 CB 1.458 46 residues pruned to eliminate duplicates Z: 90 44.581 2.129 0.540 0.552 0.944 0.607 CB 1.452 90 residues pruned to eliminate duplicates Z: 48 30.604 2.170 0.522 0.507 0.936 0.532 CB 1.434 48 residues pruned to eliminate duplicates Z: 87 44.579 2.125 0.541 0.568 0.942 0.593 CB 1.460 87 residues pruned to eliminate duplicates Z: 50 28.079 2.109 0.481 0.495 0.918 0.510 CB 1.406 50 residues pruned to eliminate duplicates Z: 80 46.641 2.171 0.513 0.575 0.949 0.608 CB 1.566 80 residues pruned to eliminate duplicates Z: 51 30.796 2.112 0.486 0.462 0.980 0.560 CB 1.472 51 residues pruned to eliminate duplicates Z: 49 32.377 2.151 0.513 0.491 0.958 0.562 CB 1.511 49 residues pruned to eliminate duplicates Z: 48 32.035 2.166 0.599 0.495 0.957 0.553 CB 1.416 48 residues pruned to eliminate duplicates Z: 50 29.132 2.111 0.570 0.475 0.939 0.531 CB 1.372 50 residues pruned to eliminate duplicates Z: 29 30.280 2.256 0.807 0.443 0.964 0.500 CB 1.544 29 residues pruned to eliminate duplicates Z: 47 33.852 2.187 0.587 0.493 1.000 0.587 CB 1.448 47 residues pruned to eliminate duplicates Z: 48 32.965 2.158 0.658 0.479 0.936 0.574 CB 1.466 48 residues pruned to eliminate duplicates Z: 48 32.275 2.181 0.530 0.503 0.979 0.532 CB 1.437 48 residues pruned to eliminate duplicates Z: 39 32.873 2.254 0.611 0.445 1.000 0.553 CB 1.554 39 residues pruned to eliminate duplicates Z: 47 34.916 2.201 0.651 0.484 0.978 0.543 CB 1.472 47 residues pruned to eliminate duplicates Z: 49 28.097 2.148 0.546 0.491 0.896 0.521 CB 1.375 49 residues pruned to eliminate duplicates Z: 28 24.737 2.241 0.462 0.461 0.963 0.667 CA 1.571 28 residues pruned to eliminate duplicates Z: 48 32.168 2.173 0.528 0.527 1.000 0.617 CB 1.376 48 residues pruned to eliminate duplicates Z: 57 42.514 2.220 0.498 0.580 0.946 0.625 CB 1.671 57 residues pruned to eliminate duplicates Z: 80 43.287 2.169 0.461 0.593 0.937 0.570 CB 1.502 80 residues pruned to eliminate duplicates Z: 8 7.934 1.783 0.262 0.488 1.000 0.714 CA 1.348 8 residues pruned to eliminate duplicates Z: 63 31.343 1.966 0.462 0.580 0.903 0.645 CB 1.420 63 residues pruned to eliminate duplicates Z: 35 32.076 2.156 0.491 0.642 0.941 0.618 CA 1.591 35 residues pruned to eliminate duplicates Z: 51 32.309 2.068 0.437 0.625 0.900 0.640 CB 1.519 51 residues pruned to eliminate duplicates Z: 36 30.895 2.170 0.459 0.628 0.886 0.657 CA 1.650 36 residues pruned to eliminate duplicates Z: 49 32.860 2.028 0.596 0.610 0.896 0.562 CB 1.474 49 residues pruned to eliminate duplicates Z: 51 28.735 2.041 0.510 0.592 0.820 0.580 CB 1.473 51 residues pruned to eliminate duplicates Z: 56 36.214 2.035 0.536 0.613 0.945 0.673 CB 1.484 56 residues pruned to eliminate duplicates Z: 49 31.551 1.997 0.577 0.607 0.938 0.604 CB 1.393 49 residues pruned to eliminate duplicates Z: 77 46.926 2.189 0.597 0.574 0.921 0.605 CB 1.556 77 residues pruned to eliminate duplicates Z: 64 33.804 1.964 0.496 0.578 0.937 0.635 CB 1.436 64 residues pruned to eliminate duplicates Z: 55 39.197 2.040 0.659 0.646 0.963 0.630 CB 1.429 46 residues pruned to eliminate duplicates Z: 16 39.364 2.349 0.780 0.946 0.933 0.667 CA 1.800 16 residues pruned to eliminate duplicates Z: 34 37.316 2.145 0.668 0.673 0.939 0.606 CB 1.647 34 residues pruned to eliminate duplicates Z: 49 35.332 2.048 0.610 0.599 0.938 0.646 CB 1.501 49 residues pruned to eliminate duplicates Z: 39 31.299 2.119 0.428 0.611 0.947 0.579 CB 1.594 39 residues pruned to eliminate duplicates Z: 39 37.581 2.111 0.626 0.635 0.974 0.632 CB 1.607 39 residues pruned to eliminate duplicates Z: 38 35.389 2.125 0.543 0.633 0.946 0.541 CB 1.655 38 residues pruned to eliminate duplicates Z: 31 34.096 2.148 0.763 0.591 0.900 0.500 CA 1.674 31 residues pruned to eliminate duplicates Z: 92 47.939 2.112 0.629 0.612 0.890 0.560 CB 1.476 92 residues pruned to eliminate duplicates Z: 47 35.616 2.069 0.584 0.626 0.935 0.565 CB 1.523 47 residues pruned to eliminate duplicates Z: 37 34.302 2.111 0.589 0.650 0.917 0.528 CB 1.617 37 residues pruned to eliminate duplicates Z: 89 46.681 2.138 0.624 0.576 0.898 0.511 CB 1.484 89 residues pruned to eliminate duplicates Z: 51 34.727 2.011 0.659 0.606 0.900 0.500 CB 1.478 51 residues pruned to eliminate duplicates Z: 15 12.610 1.932 0.227 0.541 0.929 0.357 CB 1.471 15 residues pruned to eliminate duplicates Z: 17 10.139 1.892 0.130 0.487 0.875 0.500 CB 1.374 17 residues pruned to eliminate duplicates Z: 83 47.316 2.141 0.562 0.578 0.951 0.549 CB 1.524 83 residues pruned to eliminate duplicates Z: 51 28.737 1.980 0.602 0.619 0.860 0.460 CB 1.332 51 residues pruned to eliminate duplicates Z: 39 35.211 2.090 0.623 0.632 0.974 0.579 CA 1.528 39 residues pruned to eliminate duplicates Z: 17 10.468 1.838 0.308 0.486 0.812 0.312 CB 1.359 17 residues pruned to eliminate duplicates Z: 21 14.443 1.937 0.466 0.557 0.850 0.600 CB 1.265 21 residues pruned to eliminate duplicates Z: 43 28.311 2.004 0.613 0.581 0.881 0.476 CB 1.420 43 residues pruned to eliminate duplicates Z: 40 30.738 2.006 0.503 0.650 0.949 0.538 CB 1.497 40 residues pruned to eliminate duplicates Z: 15 14.997 1.929 0.389 0.543 1.000 0.571 CB 1.433 15 residues pruned to eliminate duplicates Z: 15 9.523 1.737 0.470 0.549 0.929 0.571 CB 1.023 15 residues pruned to eliminate duplicates Z: 49 40.886 2.076 0.677 0.639 0.979 0.583 CB 1.520 49 residues pruned to eliminate duplicates Z: 50 40.509 2.078 0.738 0.644 0.939 0.633 CB 1.491 50 residues pruned to eliminate duplicates Z: 15 9.929 1.732 0.591 0.522 0.929 0.714 CB 1.015 15 residues pruned to eliminate duplicates Z: 49 36.028 2.020 0.647 0.643 0.917 0.542 CB 1.492 49 residues pruned to eliminate duplicates Z: 95 49.645 2.107 0.656 0.581 0.947 0.564 CB 1.434 95 residues pruned to eliminate duplicates Z: 49 38.321 1.979 0.697 0.691 0.979 0.625 CB 1.412 49 residues pruned to eliminate duplicates Z: 50 36.824 2.016 0.606 0.658 0.980 0.592 CB 1.433 50 residues pruned to eliminate duplicates Z: 27 18.127 1.863 0.526 0.557 0.962 0.692 CB 1.231 27 residues pruned to eliminate duplicates Z: 33 19.889 1.837 0.477 0.560 0.906 0.562 CB 1.349 33 residues pruned to eliminate duplicates Z: 33 19.848 1.878 0.387 0.530 0.938 0.625 CB 1.394 33 residues pruned to eliminate duplicates Z: 29 19.559 1.873 0.407 0.559 0.964 0.571 CB 1.374 29 residues pruned to eliminate duplicates Z: 10 8.896 1.816 0.204 0.432 1.000 0.333 CA 1.455 10 residues pruned to eliminate duplicates Z: 56 34.424 2.034 0.498 0.602 0.909 0.582 CB 1.520 56 residues pruned to eliminate duplicates Z: 44 36.761 2.186 0.644 0.484 0.977 0.488 CB 1.623 44 residues pruned to eliminate duplicates Z: 11 8.041 1.894 0.235 0.369 0.900 0.600 CB 1.390 11 residues pruned to eliminate duplicates Z: 26 23.849 2.020 0.601 0.543 0.960 0.680 CB 1.473 26 residues pruned to eliminate duplicates Z: 85 42.400 1.994 0.619 0.586 0.929 0.655 CB 1.422 69 residues pruned to eliminate duplicates Z: 12 15.959 2.094 0.052 0.833 1.000 0.909 CA 1.638 12 residues pruned to eliminate duplicates Z: 27 20.497 1.949 0.610 0.472 0.885 0.731 CB 1.490 20 residues pruned to eliminate duplicates Z: 12 19.750 2.098 0.284 0.909 1.000 1.000 CB 1.569 12 residues pruned to eliminate duplicates Z: 20 28.086 2.127 0.773 0.607 0.947 0.632 CB 1.629 20 residues pruned to eliminate duplicates Z: 13 18.701 2.092 0.314 0.756 1.000 0.833 CA 1.563 13 residues pruned to eliminate duplicates Z: 20 26.663 2.135 0.612 0.590 0.947 0.579 CB 1.721 20 residues pruned to eliminate duplicates Z: 40 24.617 2.016 0.630 0.466 0.872 0.615 CB 1.425 40 residues pruned to eliminate duplicates Z: 21 25.400 2.053 0.802 0.628 0.950 0.650 CB 1.433 28 residues pruned to eliminate duplicates Z: 14 16.013 1.976 0.334 0.853 0.923 0.846 CB 1.349 14 residues pruned to eliminate duplicates Z: 20 26.088 2.139 0.702 0.603 1.000 0.737 CB 1.491 20 residues pruned to eliminate duplicates Z: 20 25.252 2.126 0.662 0.661 0.947 0.842 CB 1.490 20 residues pruned to eliminate duplicates Z: 110 52.474 2.106 0.591 0.532 0.954 0.550 CB 1.523 110 residues pruned to eliminate duplicates Z: 20 21.333 2.099 0.461 0.594 0.947 0.684 CB 1.541 20 residues pruned to eliminate duplicates Z: 10 15.947 2.139 0.865 0.420 1.000 0.889 CB 1.449 10 residues pruned to eliminate duplicates Z: 7 6.802 2.019 0.320 0.317 0.833 0.333 CA 1.529 7 residues pruned to eliminate duplicates Z: 20 24.438 2.126 0.564 0.626 0.947 0.842 CB 1.581 20 residues pruned to eliminate duplicates Z: 9 12.764 2.154 0.972 0.434 0.875 0.750 CB 1.300 9 residues pruned to eliminate duplicates Z: 33 24.643 2.016 0.503 0.517 0.938 0.656 CB 1.508 33 residues pruned to eliminate duplicates Z: 27 24.323 2.063 0.630 0.531 0.962 0.692 CB 1.431 27 residues pruned to eliminate duplicates Z: 16 15.408 2.067 0.726 0.322 0.933 0.600 CB 1.453 16 residues pruned to eliminate duplicates 322 residues left after pruning, divided into chains as follows: A: 6 B: 22 C: 137 D: 27 E: 57 F: 43 G: 30 CC for partial structure against native data = 37.06 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.425, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.480, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.570, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.571, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.578, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.580, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.583, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.584, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.586, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.586, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1969 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 447 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 33 30.957 2.306 0.709 0.425 0.938 0.625 CB 1.601 B: 15 24.662 2.307 0.214 0.931 0.929 0.786 CA 1.771 C: 51 41.211 2.139 0.695 0.629 0.940 0.560 CB 1.516 5 residues pruned to eliminate duplicates D: 12 24.854 2.189 0.562 0.897 1.000 0.545 CB 1.569 E: 33 26.345 2.234 0.645 0.449 0.938 0.656 CB 1.424 F: 13 17.107 2.148 0.504 0.545 1.000 0.750 CB 1.463 G: 16 29.585 2.291 0.406 0.936 0.933 0.933 CA 1.769 15 residues pruned to eliminate duplicates H: 14 15.153 2.110 0.257 0.556 0.846 0.615 CA 1.774 8 residues pruned to eliminate duplicates I: 18 31.431 2.053 0.636 0.912 0.941 0.529 CA 1.708 18 residues pruned to eliminate duplicates J: 10 12.625 2.155 0.497 0.469 0.889 0.778 CB 1.515 K: 79 50.470 2.230 0.707 0.540 0.936 0.667 CB 1.542 79 residues pruned to eliminate duplicates L: 16 35.743 2.295 0.665 0.939 0.933 0.800 CA 1.799 16 residues pruned to eliminate duplicates M: 12 10.590 2.021 0.459 0.467 0.818 0.727 CB 1.369 11 residues pruned to eliminate duplicates N: 17 31.662 2.118 0.670 0.893 0.938 0.875 CA 1.714 17 residues pruned to eliminate duplicates O: 16 23.536 2.309 0.115 0.944 0.933 0.933 CA 1.752 16 residues pruned to eliminate duplicates P: 33 18.365 1.995 0.449 0.577 0.906 0.531 CB 1.150 17 residues pruned to eliminate duplicates Q: 19 29.109 2.205 0.634 0.813 0.889 0.722 CA 1.632 19 residues pruned to eliminate duplicates R: 72 54.335 2.142 0.946 0.605 0.944 0.592 CB 1.484 51 residues pruned to eliminate duplicates S: 7 9.759 2.061 0.592 0.544 0.833 0.500 CB 1.395 7 residues pruned to eliminate duplicates T: 35 37.851 2.151 0.700 0.633 1.000 0.735 CB 1.567 36 residues pruned to eliminate duplicates U: 66 28.572 2.062 0.494 0.450 0.908 0.538 CB 1.334 61 residues pruned to eliminate duplicates V: 10 14.996 2.092 0.570 0.783 0.889 0.667 CA 1.335 W: 16 37.064 2.311 0.678 0.949 0.933 0.600 CB 1.825 16 residues pruned to eliminate duplicates X: 30 21.648 2.051 0.492 0.517 0.862 0.621 CB 1.498 12 residues pruned to eliminate duplicates Y: 19 25.262 2.231 0.526 0.644 0.944 0.667 CB 1.619 19 residues pruned to eliminate duplicates Z: 12 15.393 1.949 0.824 0.640 0.818 0.727 CB 1.399 Z: 18 24.784 2.111 0.352 0.914 0.941 0.882 CA 1.583 17 residues pruned to eliminate duplicates Z: 9 14.871 2.150 0.715 0.740 0.750 0.375 CA 1.534 9 residues pruned to eliminate duplicates Z: 36 18.522 1.998 0.463 0.512 0.829 0.514 CB 1.278 36 residues pruned to eliminate duplicates Z: 17 31.917 2.228 0.734 0.859 0.875 0.375 CB 1.737 17 residues pruned to eliminate duplicates Z: 107 53.990 2.200 0.583 0.542 0.934 0.623 CB 1.548 88 residues pruned to eliminate duplicates Z: 11 18.517 2.096 0.308 0.906 1.000 0.800 CB 1.520 11 residues pruned to eliminate duplicates Z: 13 18.440 2.083 0.191 0.925 1.000 0.667 CA 1.505 13 residues pruned to eliminate duplicates Z: 55 36.063 2.192 0.598 0.480 0.907 0.630 CB 1.576 55 residues pruned to eliminate duplicates Z: 66 37.206 2.187 0.590 0.458 0.892 0.538 CB 1.553 65 residues pruned to eliminate duplicates Z: 59 34.691 2.148 0.655 0.497 0.914 0.603 CB 1.407 65 residues pruned to eliminate duplicates Z: 17 36.186 2.245 0.764 0.878 0.938 0.625 CA 1.769 17 residues pruned to eliminate duplicates Z: 10 20.403 1.992 0.929 0.721 1.000 1.000 CB 1.449 12 residues pruned to eliminate duplicates Z: 13 25.050 2.085 0.620 0.931 1.000 0.833 CB 1.496 13 residues pruned to eliminate duplicates Z: 35 27.493 2.085 0.676 0.556 0.912 0.647 CB 1.401 35 residues pruned to eliminate duplicates Z: 17 33.051 2.118 0.782 0.898 0.938 0.438 CB 1.670 17 residues pruned to eliminate duplicates Z: 8 15.640 2.331 0.649 0.743 0.857 0.571 CA 1.444 8 residues pruned to eliminate duplicates Z: 18 31.165 1.968 0.659 0.945 0.941 0.941 CA 1.702 18 residues pruned to eliminate duplicates Z: 16 29.194 2.288 0.365 0.919 1.000 0.933 CA 1.701 16 residues pruned to eliminate duplicates Z: 10 19.343 2.085 0.457 0.918 1.000 0.889 CA 1.497 10 residues pruned to eliminate duplicates Z: 9 14.206 2.300 0.682 0.477 1.000 0.875 CB 1.330 9 residues pruned to eliminate duplicates Z: 33 23.710 2.131 0.525 0.513 0.875 0.625 CB 1.456 33 residues pruned to eliminate duplicates Z: 13 22.826 2.036 0.504 0.909 1.000 0.667 CB 1.527 13 residues pruned to eliminate duplicates Z: 98 57.056 2.228 0.673 0.565 0.918 0.680 CB 1.591 98 residues pruned to eliminate duplicates Z: 17 29.777 2.005 0.728 0.936 0.938 0.625 CA 1.596 17 residues pruned to eliminate duplicates Z: 18 25.777 2.114 0.432 0.906 0.941 0.706 CA 1.560 17 residues pruned to eliminate duplicates Z: 11 5.455 1.841 0.339 0.226 0.800 0.600 CB 1.204 Z: 8 14.952 2.008 0.639 0.866 1.000 0.714 CB 1.257 8 residues pruned to eliminate duplicates Z: 92 54.219 2.172 0.581 0.588 0.956 0.626 CB 1.591 92 residues pruned to eliminate duplicates Z: 11 13.655 1.896 0.837 0.497 0.800 0.700 CB 1.555 11 residues pruned to eliminate duplicates Z: 12 21.186 2.009 0.599 0.919 1.000 0.636 CB 1.402 12 residues pruned to eliminate duplicates Z: 16 39.156 2.122 0.939 0.947 1.000 0.533 CB 1.698 16 residues pruned to eliminate duplicates Z: 13 10.358 2.118 0.479 0.401 0.750 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 28 25.305 2.125 0.772 0.571 0.852 0.556 CB 1.418 28 residues pruned to eliminate duplicates Z: 72 45.867 2.238 0.466 0.580 0.972 0.746 CB 1.581 72 residues pruned to eliminate duplicates Z: 16 32.547 2.116 0.717 0.944 1.000 0.733 CB 1.601 16 residues pruned to eliminate duplicates Z: 17 31.525 2.017 0.840 0.882 0.938 0.500 CB 1.639 17 residues pruned to eliminate duplicates Z: 12 12.350 2.229 0.213 0.456 0.818 0.636 CB 1.761 12 residues pruned to eliminate duplicates Z: 26 28.978 2.202 0.760 0.581 0.880 0.640 CB 1.572 26 residues pruned to eliminate duplicates Z: 43 29.291 2.109 0.568 0.532 0.833 0.690 CB 1.589 43 residues pruned to eliminate duplicates Z: 11 10.723 1.752 0.439 0.608 0.900 0.500 CB 1.349 Z: 12 24.694 2.022 0.793 0.922 1.000 0.636 CB 1.444 12 residues pruned to eliminate duplicates Z: 21 19.790 1.985 0.745 0.634 0.900 0.650 CB 1.251 21 residues pruned to eliminate duplicates Z: 16 34.382 2.115 0.685 0.949 1.000 0.733 CA 1.719 16 residues pruned to eliminate duplicates Z: 8 13.595 2.096 0.632 0.805 0.857 0.571 CA 1.343 8 residues pruned to eliminate duplicates Z: 17 31.028 2.220 0.660 0.899 0.938 0.812 CA 1.605 17 residues pruned to eliminate duplicates Z: 112 59.979 2.190 0.618 0.573 0.946 0.667 CB 1.583 113 residues pruned to eliminate duplicates Z: 17 33.993 2.267 0.681 0.900 0.875 0.812 CA 1.821 17 residues pruned to eliminate duplicates Z: 33 29.232 2.187 0.484 0.563 0.938 0.719 CB 1.598 33 residues pruned to eliminate duplicates Z: 17 27.353 2.194 0.414 0.920 0.938 0.812 CA 1.656 17 residues pruned to eliminate duplicates Z: 117 55.687 2.212 0.598 0.533 0.914 0.681 CB 1.550 103 residues pruned to eliminate duplicates Z: 31 30.479 2.150 0.692 0.535 0.900 0.767 CA 1.642 31 residues pruned to eliminate duplicates Z: 9 10.244 2.127 0.461 0.760 0.750 0.375 CA 1.234 9 residues pruned to eliminate duplicates Z: 58 44.894 2.269 0.626 0.556 0.947 0.737 CB 1.611 58 residues pruned to eliminate duplicates Z: 11 23.871 2.050 0.725 0.898 1.000 1.000 CA 1.527 11 residues pruned to eliminate duplicates Z: 10 14.796 2.188 0.504 0.548 0.889 0.778 CB 1.609 10 residues pruned to eliminate duplicates Z: 12 19.259 2.234 0.591 0.536 0.909 0.818 CB 1.734 12 residues pruned to eliminate duplicates Z: 30 27.984 2.072 0.776 0.583 0.931 0.655 CB 1.401 20 residues pruned to eliminate duplicates Z: 54 43.064 2.243 0.630 0.549 0.981 0.698 CB 1.572 54 residues pruned to eliminate duplicates Z: 58 33.050 1.899 0.712 0.616 0.877 0.509 CB 1.375 29 residues pruned to eliminate duplicates Z: 11 17.302 1.995 0.556 0.593 0.900 0.800 CB 1.793 11 residues pruned to eliminate duplicates Z: 20 20.974 2.120 0.585 0.601 0.947 0.737 CB 1.373 20 residues pruned to eliminate duplicates Z: 36 23.994 2.049 0.626 0.527 0.857 0.629 CB 1.384 36 residues pruned to eliminate duplicates Z: 8 13.471 2.053 0.463 0.783 1.000 0.714 CA 1.321 8 residues pruned to eliminate duplicates Z: 12 23.178 2.016 0.564 0.909 1.000 0.636 CB 1.573 12 residues pruned to eliminate duplicates Z: 51 46.427 2.179 0.782 0.658 0.920 0.680 CB 1.586 51 residues pruned to eliminate duplicates Z: 7 8.838 1.853 0.161 0.771 1.000 0.667 CB 1.320 7 residues pruned to eliminate duplicates Z: 6 7.212 1.869 0.043 0.762 1.000 1.000 CB 1.311 6 residues pruned to eliminate duplicates Z: 18 19.742 1.907 0.208 0.925 0.941 0.941 CA 1.549 18 residues pruned to eliminate duplicates Z: 9 13.719 1.973 0.844 0.837 1.000 0.625 CB 0.998 9 residues pruned to eliminate duplicates Z: 9 10.071 2.008 0.417 0.678 0.875 0.625 CA 1.213 9 residues pruned to eliminate duplicates Z: 16 37.138 2.107 0.887 0.952 1.000 0.533 CB 1.661 16 residues pruned to eliminate duplicates Z: 9 12.888 1.985 0.055 0.905 1.000 1.000 CA 1.549 9 residues pruned to eliminate duplicates Z: 9 10.370 2.063 0.745 0.493 0.750 0.500 CB 1.367 9 residues pruned to eliminate duplicates Z: 25 23.777 2.096 0.567 0.568 0.958 0.667 CB 1.444 30 residues pruned to eliminate duplicates Z: 19 11.168 1.800 0.582 0.530 0.833 0.667 CB 1.076 19 residues pruned to eliminate duplicates Z: 12 19.237 2.200 0.565 0.525 1.000 0.909 CB 1.643 Z: 45 28.502 2.172 0.502 0.582 0.886 0.659 CB 1.374 45 residues pruned to eliminate duplicates Z: 19 28.062 1.880 0.756 0.919 0.944 0.833 CA 1.495 19 residues pruned to eliminate duplicates Z: 21 30.695 2.115 0.802 0.651 1.000 0.900 CB 1.565 21 residues pruned to eliminate duplicates Z: 103 58.640 2.234 0.640 0.577 0.951 0.725 CB 1.548 103 residues pruned to eliminate duplicates Z: 14 23.325 1.963 0.570 0.930 1.000 0.692 CA 1.468 14 residues pruned to eliminate duplicates Z: 13 10.332 1.990 0.455 0.440 0.750 0.500 CB 1.460 13 residues pruned to eliminate duplicates Z: 11 16.661 2.082 0.191 0.905 1.000 0.800 CB 1.512 11 residues pruned to eliminate duplicates Z: 14 12.317 2.007 0.561 0.452 0.846 0.538 CB 1.354 13 residues pruned to eliminate duplicates Z: 14 14.320 2.077 0.465 0.491 0.846 0.769 CB 1.557 26 residues pruned to eliminate duplicates Z: 17 16.224 1.995 -0.097 0.936 1.000 1.000 CA 1.568 17 residues pruned to eliminate duplicates Z: 17 30.147 2.040 0.583 0.890 1.000 0.688 CB 1.680 17 residues pruned to eliminate duplicates Z: 30 26.739 2.292 0.440 0.471 0.862 0.586 CB 1.798 30 residues pruned to eliminate duplicates Z: 30 25.675 2.118 0.673 0.589 0.931 0.621 CB 1.326 30 residues pruned to eliminate duplicates Z: 35 29.909 2.144 0.518 0.589 1.000 0.706 CB 1.447 35 residues pruned to eliminate duplicates Z: 13 20.681 1.976 0.567 0.907 1.000 0.917 CB 1.371 13 residues pruned to eliminate duplicates Z: 42 29.115 2.204 0.541 0.525 0.854 0.610 CB 1.530 42 residues pruned to eliminate duplicates Z: 55 41.361 2.102 0.768 0.624 0.907 0.630 CB 1.486 55 residues pruned to eliminate duplicates Z: 6 9.357 1.913 0.267 0.852 1.000 1.000 CA 1.277 6 residues pruned to eliminate duplicates Z: 17 36.169 2.214 0.763 0.924 0.938 0.438 CA 1.735 17 residues pruned to eliminate duplicates Z: 22 19.895 1.980 0.517 0.696 1.000 0.762 CB 1.208 22 residues pruned to eliminate duplicates Z: 13 20.150 1.985 0.447 0.898 1.000 0.667 CB 1.450 13 residues pruned to eliminate duplicates Z: 9 6.319 1.618 0.338 0.686 1.000 0.750 CB 0.870 9 residues pruned to eliminate duplicates Z: 7 6.412 1.596 0.215 0.695 1.000 0.833 CA 1.129 7 residues pruned to eliminate duplicates Z: 17 29.727 2.012 0.699 0.936 0.938 0.938 CB 1.615 17 residues pruned to eliminate duplicates Z: 109 52.217 2.185 0.579 0.561 0.907 0.630 CB 1.513 109 residues pruned to eliminate duplicates Z: 16 41.201 2.306 0.876 0.950 0.933 0.533 CA 1.817 16 residues pruned to eliminate duplicates Z: 53 36.240 1.961 0.625 0.656 0.962 0.577 CB 1.419 53 residues pruned to eliminate duplicates Z: 6 6.455 1.898 -0.075 0.805 1.000 0.800 CB 1.260 Z: 32 31.521 2.137 0.705 0.550 0.935 0.710 CB 1.581 32 residues pruned to eliminate duplicates Z: 13 15.180 2.178 0.357 0.528 0.917 0.750 CB 1.573 13 residues pruned to eliminate duplicates Z: 13 11.481 1.789 0.674 0.479 0.833 0.583 CA 1.356 Z: 10 10.382 1.800 0.127 0.667 1.000 0.556 CA 1.462 10 residues pruned to eliminate duplicates Z: 18 26.135 2.174 0.416 0.895 0.941 0.882 CA 1.569 18 residues pruned to eliminate duplicates Z: 11 11.280 1.480 0.434 0.835 1.000 0.800 C 1.258 11 residues pruned to eliminate duplicates Z: 27 30.284 2.226 0.688 0.623 0.885 0.731 CB 1.592 27 residues pruned to eliminate duplicates Z: 11 7.863 1.844 0.429 0.214 0.900 0.300 CA 1.468 11 residues pruned to eliminate duplicates Z: 32 23.656 2.059 0.597 0.528 0.839 0.645 CB 1.498 32 residues pruned to eliminate duplicates Z: 7 10.138 1.880 0.501 0.899 1.000 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 35 17.463 2.044 0.540 0.504 0.794 0.559 CB 1.194 35 residues pruned to eliminate duplicates Z: 7 2.437 1.636 0.029 0.495 0.667 0.500 CB 0.891 Z: 71 45.916 2.229 0.723 0.495 0.900 0.614 CB 1.595 71 residues pruned to eliminate duplicates Z: 13 12.681 1.926 0.413 0.607 0.917 0.500 CA 1.325 17 residues pruned to eliminate duplicates Z: 13 27.739 2.015 0.860 0.925 1.000 0.667 CB 1.499 13 residues pruned to eliminate duplicates Z: 46 37.773 2.191 0.724 0.540 0.933 0.778 CB 1.535 46 residues pruned to eliminate duplicates Z: 11 13.298 1.726 0.595 0.576 1.000 0.500 CB 1.419 11 residues pruned to eliminate duplicates Z: 103 61.034 2.213 0.709 0.603 0.931 0.598 CB 1.555 103 residues pruned to eliminate duplicates Z: 11 17.561 1.987 0.735 0.651 1.000 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 33 40.221 2.182 0.734 0.677 1.000 0.938 CB 1.597 33 residues pruned to eliminate duplicates Z: 6 16.377 1.843 1.043 0.873 1.000 1.000 CB 1.417 6 residues pruned to eliminate duplicates Z: 73 43.718 2.204 0.672 0.513 0.903 0.681 CB 1.529 72 residues pruned to eliminate duplicates Z: 22 24.101 2.083 0.335 0.767 1.000 0.905 CB 1.493 22 residues pruned to eliminate duplicates Z: 9 4.211 1.647 0.118 0.566 0.875 0.875 CB 0.867 9 residues pruned to eliminate duplicates Z: 20 20.475 2.083 0.589 0.625 0.895 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 8 15.882 2.166 0.637 0.543 1.000 0.714 CB 1.622 11 residues pruned to eliminate duplicates Z: 19 16.197 2.197 0.578 0.351 0.889 0.444 CB 1.456 19 residues pruned to eliminate duplicates Z: 48 32.550 2.160 0.653 0.539 0.957 0.553 CB 1.336 48 residues pruned to eliminate duplicates Z: 11 16.335 1.949 0.673 0.615 0.900 0.500 CA 1.579 11 residues pruned to eliminate duplicates Z: 81 51.878 2.226 0.747 0.570 0.900 0.688 CB 1.549 81 residues pruned to eliminate duplicates Z: 9 10.377 1.859 0.418 0.643 0.875 0.750 CA 1.392 9 residues pruned to eliminate duplicates Z: 95 55.479 2.237 0.581 0.583 0.957 0.713 CB 1.561 95 residues pruned to eliminate duplicates Z: 41 30.983 2.029 0.610 0.647 0.925 0.575 CB 1.413 41 residues pruned to eliminate duplicates Z: 34 13.574 1.646 0.729 0.420 0.848 0.424 CB 1.064 34 residues pruned to eliminate duplicates Z: 32 18.280 2.038 0.333 0.593 0.839 0.581 CB 1.318 32 residues pruned to eliminate duplicates Z: 51 45.409 2.194 0.844 0.625 0.920 0.600 CB 1.534 51 residues pruned to eliminate duplicates Z: 27 16.468 1.870 0.385 0.619 0.923 0.769 CB 1.206 27 residues pruned to eliminate duplicates Z: 45 36.320 1.949 0.760 0.669 0.977 0.545 CB 1.397 51 residues pruned to eliminate duplicates Z: 12 17.160 2.207 0.564 0.533 0.909 0.909 CB 1.596 12 residues pruned to eliminate duplicates Z: 24 34.395 2.097 1.030 0.676 1.000 0.826 CB 1.432 24 residues pruned to eliminate duplicates Z: 82 39.105 2.108 0.478 0.534 0.926 0.617 CB 1.457 79 residues pruned to eliminate duplicates Z: 20 20.382 2.021 0.737 0.655 0.947 0.632 CB 1.216 20 residues pruned to eliminate duplicates Z: 6 4.149 1.772 -0.165 0.625 1.000 0.600 CB 1.116 6 residues pruned to eliminate duplicates Z: 17 38.678 2.183 0.950 0.907 0.938 0.375 CA 1.722 17 residues pruned to eliminate duplicates Z: 49 47.000 2.234 0.739 0.633 0.958 0.688 CB 1.609 49 residues pruned to eliminate duplicates Z: 16 28.010 2.099 0.449 0.950 1.000 0.800 CB 1.640 16 residues pruned to eliminate duplicates Z: 51 36.565 2.210 0.609 0.502 0.880 0.680 CB 1.650 51 residues pruned to eliminate duplicates Z: 8 13.747 1.874 0.626 0.818 1.000 0.714 CA 1.294 8 residues pruned to eliminate duplicates Z: 14 12.395 1.924 0.056 0.892 0.923 0.923 CA 1.316 14 residues pruned to eliminate duplicates Z: 7 9.835 2.065 0.406 0.882 1.000 0.667 CB 1.001 7 residues pruned to eliminate duplicates Z: 8 7.148 1.804 0.336 0.751 0.857 0.857 CB 1.045 Z: 14 13.428 1.964 0.310 0.544 1.000 0.462 CA 1.387 14 residues pruned to eliminate duplicates Z: 16 13.696 1.903 0.518 0.537 0.933 0.600 CA 1.265 16 residues pruned to eliminate duplicates Z: 17 31.701 1.946 0.758 0.944 1.000 0.688 CB 1.604 17 residues pruned to eliminate duplicates Z: 16 10.236 1.872 0.382 0.512 0.867 0.533 CB 1.164 16 residues pruned to eliminate duplicates Z: 8 14.991 2.041 0.570 0.853 1.000 0.857 CA 1.306 8 residues pruned to eliminate duplicates Z: 55 33.503 2.178 0.508 0.511 0.926 0.648 CB 1.483 55 residues pruned to eliminate duplicates Z: 13 26.008 2.083 0.618 0.928 1.000 0.917 CB 1.561 13 residues pruned to eliminate duplicates Z: 9 14.241 2.144 1.173 0.591 0.875 0.750 CB 1.132 9 residues pruned to eliminate duplicates Z: 8 9.486 1.874 0.155 0.870 1.000 0.857 CB 1.209 6 residues pruned to eliminate duplicates Z: 49 27.024 2.001 0.408 0.574 0.896 0.583 CB 1.439 49 residues pruned to eliminate duplicates Z: 8 7.440 1.647 0.209 0.905 0.857 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 24 24.786 2.005 0.621 0.621 0.913 0.652 CA 1.553 24 residues pruned to eliminate duplicates Z: 6 12.318 1.927 0.611 0.670 1.000 0.400 CB 1.518 6 residues pruned to eliminate duplicates Z: 19 14.437 1.910 0.408 0.397 0.944 0.611 CB 1.493 19 residues pruned to eliminate duplicates Z: 104 59.241 2.235 0.611 0.589 0.942 0.718 CB 1.580 104 residues pruned to eliminate duplicates Z: 85 51.272 2.135 0.826 0.591 0.917 0.655 CB 1.434 85 residues pruned to eliminate duplicates Z: 55 40.707 2.122 0.682 0.604 0.926 0.685 CB 1.518 55 residues pruned to eliminate duplicates Z: 17 26.486 1.979 0.536 0.937 0.938 0.688 CB 1.617 17 residues pruned to eliminate duplicates Z: 6 6.156 1.394 0.782 0.547 1.000 0.600 N 1.058 6 residues pruned to eliminate duplicates Z: 18 28.423 2.249 0.552 0.647 1.000 0.765 CB 1.721 18 residues pruned to eliminate duplicates Z: 9 10.120 1.991 0.265 0.892 1.000 1.000 CB 1.021 9 residues pruned to eliminate duplicates Z: 7 5.294 1.834 -0.016 0.657 0.833 0.833 CB 1.242 Z: 18 16.262 1.854 0.201 0.907 0.882 0.824 CA 1.426 18 residues pruned to eliminate duplicates Z: 49 34.802 1.975 0.692 0.646 0.938 0.625 CB 1.399 49 residues pruned to eliminate duplicates Z: 17 9.650 1.776 0.578 0.461 0.812 0.438 CB 1.102 8 residues pruned to eliminate duplicates Z: 47 34.566 2.174 0.729 0.533 0.978 0.652 CB 1.342 47 residues pruned to eliminate duplicates Z: 136 68.639 2.204 0.713 0.576 0.933 0.719 CB 1.557 136 residues pruned to eliminate duplicates Z: 11 17.433 2.005 0.625 0.683 1.000 0.600 CB 1.430 11 residues pruned to eliminate duplicates Z: 26 26.044 2.056 0.624 0.641 0.960 0.600 CB 1.423 26 residues pruned to eliminate duplicates Z: 19 17.921 2.018 0.642 0.507 0.889 0.611 CB 1.424 21 residues pruned to eliminate duplicates Z: 18 5.454 1.493 0.359 0.288 0.765 0.471 CB 1.082 18 residues pruned to eliminate duplicates Z: 20 23.400 2.172 0.604 0.557 1.000 0.684 CB 1.457 20 residues pruned to eliminate duplicates Z: 34 16.427 2.010 0.275 0.449 0.848 0.515 CB 1.387 34 residues pruned to eliminate duplicates Z: 65 27.494 2.080 0.519 0.472 0.859 0.578 CB 1.301 65 residues pruned to eliminate duplicates Z: 10 5.436 1.876 -0.120 0.538 0.778 0.556 CB 1.358 Z: 8 5.476 1.585 0.369 0.578 1.000 0.429 CB 0.885 8 residues pruned to eliminate duplicates Z: 16 19.740 2.006 0.312 0.917 0.933 0.667 CB 1.464 16 residues pruned to eliminate duplicates Z: 6 4.428 1.763 -0.311 0.788 1.000 0.800 C 1.265 Z: 50 29.470 2.106 0.677 0.533 0.918 0.592 CB 1.257 50 residues pruned to eliminate duplicates Z: 9 9.223 1.933 0.136 0.887 1.000 1.000 CB 1.070 9 residues pruned to eliminate duplicates Z: 7 9.787 2.079 0.147 0.822 0.833 0.667 CA 1.521 7 residues pruned to eliminate duplicates Z: 8 13.787 1.958 1.131 0.551 1.000 0.714 CA 1.188 8 residues pruned to eliminate duplicates Z: 10 17.447 1.934 0.752 0.631 1.000 0.778 CB 1.518 10 residues pruned to eliminate duplicates Z: 16 9.017 1.793 0.331 0.523 0.867 0.400 CA 1.099 Z: 99 51.696 2.205 0.553 0.568 0.929 0.653 CB 1.538 99 residues pruned to eliminate duplicates Z: 9 14.192 1.998 0.515 0.855 1.000 0.875 CB 1.223 9 residues pruned to eliminate duplicates Z: 40 32.614 2.088 0.616 0.519 0.923 0.513 CB 1.646 70 residues pruned to eliminate duplicates Z: 6 5.717 1.937 -0.340 0.857 1.000 1.000 C 1.474 6 residues pruned to eliminate duplicates Z: 14 26.241 1.986 0.839 0.762 1.000 0.769 CB 1.578 14 residues pruned to eliminate duplicates Z: 26 14.853 1.948 0.547 0.393 0.840 0.600 CB 1.313 Z: 46 24.924 2.036 0.554 0.487 0.911 0.644 CB 1.307 46 residues pruned to eliminate duplicates Z: 50 38.290 2.006 0.773 0.643 0.918 0.592 CB 1.465 50 residues pruned to eliminate duplicates Z: 13 24.787 2.008 0.687 0.932 1.000 0.917 CB 1.475 13 residues pruned to eliminate duplicates Z: 11 20.187 2.215 0.531 0.644 1.000 0.900 CB 1.646 11 residues pruned to eliminate duplicates Z: 44 19.984 1.845 0.536 0.547 0.791 0.488 CB 1.299 44 residues pruned to eliminate duplicates Z: 12 21.003 2.081 0.470 0.916 1.000 0.818 CB 1.463 12 residues pruned to eliminate duplicates Z: 18 10.224 1.832 0.476 0.369 0.882 0.412 CB 1.196 34 residues pruned to eliminate duplicates Z: 8 4.079 1.723 -0.227 0.842 0.857 0.714 CB 1.006 8 residues pruned to eliminate duplicates Z: 28 22.944 1.931 0.720 0.611 0.852 0.741 CB 1.405 28 residues pruned to eliminate duplicates Z: 7 2.434 1.622 0.071 0.307 0.667 0.500 CB 1.064 Z: 9 7.854 1.562 0.248 0.789 1.000 0.625 CB 1.105 9 residues pruned to eliminate duplicates Z: 7 4.065 1.661 0.488 0.321 0.667 0.333 CB 1.226 7 residues pruned to eliminate duplicates Z: 9 5.716 1.868 -0.254 0.662 1.000 0.875 CB 1.248 Z: 17 14.442 1.853 0.822 0.527 0.875 0.688 CB 1.191 17 residues pruned to eliminate duplicates Z: 16 7.508 1.814 0.421 0.392 0.933 0.667 CB 0.903 Z: 33 21.856 2.045 0.501 0.561 0.906 0.531 CB 1.309 33 residues pruned to eliminate duplicates Z: 18 17.339 2.063 0.597 0.529 0.882 0.471 CB 1.406 18 residues pruned to eliminate duplicates Z: 27 18.737 1.876 0.443 0.595 0.962 0.731 CB 1.289 27 residues pruned to eliminate duplicates Z: 13 23.794 2.004 0.731 0.915 1.000 1.000 CB 1.399 13 residues pruned to eliminate duplicates Z: 7 7.744 1.618 0.074 0.770 1.000 0.667 N 1.433 7 residues pruned to eliminate duplicates Z: 10 13.434 1.767 0.924 0.819 0.889 0.556 CB 1.123 10 residues pruned to eliminate duplicates Z: 8 4.789 1.501 0.364 0.340 0.857 0.429 CB 1.228 8 residues pruned to eliminate duplicates Z: 17 33.190 1.970 1.097 0.940 0.938 0.312 CB 1.488 17 residues pruned to eliminate duplicates Z: 14 20.328 1.805 0.744 0.918 0.923 0.615 CB 1.368 14 residues pruned to eliminate duplicates Z: 38 27.999 1.981 0.446 0.631 0.946 0.676 CB 1.503 38 residues pruned to eliminate duplicates Z: 104 58.580 2.218 0.650 0.567 0.942 0.718 CB 1.570 104 residues pruned to eliminate duplicates Z: 29 20.731 1.851 0.613 0.583 0.964 0.643 CB 1.257 29 residues pruned to eliminate duplicates Z: 6 7.758 1.921 -0.089 0.714 1.000 0.800 N 1.632 7 residues pruned to eliminate duplicates Z: 48 35.854 2.231 0.576 0.522 0.915 0.638 CB 1.591 48 residues pruned to eliminate duplicates Z: 35 27.165 2.208 0.562 0.511 0.941 0.618 CB 1.420 35 residues pruned to eliminate duplicates Z: 14 11.860 2.038 0.581 0.480 0.923 0.615 CB 1.129 14 residues pruned to eliminate duplicates Z: 9 7.976 1.978 0.053 0.880 1.000 0.750 CB 0.981 9 residues pruned to eliminate duplicates Z: 13 17.271 2.019 0.192 0.930 1.000 0.917 CA 1.449 13 residues pruned to eliminate duplicates Z: 13 21.105 2.144 0.331 0.761 1.000 0.833 CB 1.694 13 residues pruned to eliminate duplicates Z: 59 31.281 2.146 0.486 0.514 0.914 0.517 CB 1.390 59 residues pruned to eliminate duplicates Z: 14 9.853 1.845 0.324 0.450 0.923 0.615 CA 1.275 14 residues pruned to eliminate duplicates Z: 8 11.248 1.845 0.867 0.878 1.000 1.000 CB 0.896 Z: 80 48.961 2.198 0.615 0.571 0.924 0.658 CB 1.568 80 residues pruned to eliminate duplicates Z: 12 15.630 2.107 -0.046 0.937 1.000 0.909 CB 1.631 12 residues pruned to eliminate duplicates Z: 22 31.616 2.073 0.830 0.668 0.952 0.952 CA 1.634 22 residues pruned to eliminate duplicates Z: 23 33.161 2.139 1.036 0.681 1.000 0.909 CB 1.375 30 residues pruned to eliminate duplicates Z: 7 7.477 1.837 0.431 0.902 1.000 0.833 CB 0.828 7 residues pruned to eliminate duplicates Z: 12 19.154 2.058 0.368 0.736 1.000 0.545 CA 1.659 12 residues pruned to eliminate duplicates Z: 11 11.276 1.918 0.561 0.623 0.900 0.800 CA 1.177 Z: 55 43.119 2.127 0.671 0.630 0.963 0.611 CB 1.517 55 residues pruned to eliminate duplicates Z: 8 7.526 2.072 0.252 0.432 1.000 0.571 CB 1.177 8 residues pruned to eliminate duplicates Z: 7 7.403 1.817 0.001 0.833 1.000 0.500 CB 1.247 7 residues pruned to eliminate duplicates Z: 13 13.029 2.030 0.461 0.417 0.917 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 38 22.153 2.168 0.488 0.385 0.919 0.514 CB 1.389 38 residues pruned to eliminate duplicates Z: 7 10.321 1.769 0.421 0.773 1.000 0.833 CA 1.317 7 residues pruned to eliminate duplicates Z: 11 15.687 1.852 0.759 0.735 1.000 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 7 4.553 1.756 -0.318 0.851 1.000 0.667 C 1.149 Z: 8 6.263 1.664 -0.247 0.834 1.000 0.857 C 1.416 7 residues pruned to eliminate duplicates Z: 7 7.653 1.515 0.838 0.627 1.000 0.833 N 0.995 Z: 61 28.639 2.103 0.482 0.481 0.883 0.600 CB 1.369 61 residues pruned to eliminate duplicates Z: 6 4.416 1.512 0.674 0.366 0.800 0.600 CB 1.127 Z: 86 34.803 2.122 0.486 0.446 0.906 0.576 CB 1.396 86 residues pruned to eliminate duplicates Z: 16 19.632 2.117 0.713 0.648 0.933 0.800 CB 1.305 16 residues pruned to eliminate duplicates Z: 73 35.164 2.063 0.470 0.520 0.903 0.611 CB 1.484 73 residues pruned to eliminate duplicates Z: 22 21.918 2.010 0.613 0.612 0.952 0.667 CB 1.393 22 residues pruned to eliminate duplicates Z: 8 4.552 1.563 0.478 0.247 1.000 0.286 CB 0.997 Z: 9 3.508 1.702 0.130 0.441 0.625 0.625 CA 1.096 9 residues pruned to eliminate duplicates Z: 11 12.977 1.853 0.814 0.556 0.900 0.700 CB 1.285 8 residues pruned to eliminate duplicates Z: 19 11.352 1.928 0.450 0.427 0.833 0.611 CB 1.238 19 residues pruned to eliminate duplicates Z: 55 39.884 2.209 0.623 0.518 0.944 0.667 CB 1.574 55 residues pruned to eliminate duplicates Z: 6 2.950 1.553 -0.221 0.485 1.000 0.600 CB 1.108 Z: 11 15.203 1.899 0.714 0.612 0.900 0.600 CB 1.476 17 residues pruned to eliminate duplicates Z: 34 31.570 2.106 0.561 0.659 0.970 0.758 CB 1.487 34 residues pruned to eliminate duplicates Z: 14 9.758 1.734 0.819 0.355 0.769 0.462 CB 1.305 14 residues pruned to eliminate duplicates Z: 29 27.566 1.882 0.619 0.695 0.964 0.500 CA 1.483 29 residues pruned to eliminate duplicates Z: 16 34.237 2.265 0.709 0.930 0.933 0.533 CB 1.711 16 residues pruned to eliminate duplicates Z: 7 6.524 1.648 0.545 0.755 0.833 0.833 CA 1.000 7 residues pruned to eliminate duplicates Z: 61 34.621 2.035 0.650 0.531 0.917 0.567 CB 1.409 61 residues pruned to eliminate duplicates Z: 7 8.700 1.914 0.306 0.517 1.000 0.500 CA 1.397 7 residues pruned to eliminate duplicates Z: 32 19.298 2.042 0.482 0.582 0.839 0.581 CB 1.262 32 residues pruned to eliminate duplicates Z: 7 7.664 1.988 0.636 0.566 0.833 0.833 N 1.082 Z: 44 29.503 2.139 0.608 0.539 0.953 0.628 CB 1.322 44 residues pruned to eliminate duplicates Z: 8 3.070 1.777 -0.288 0.656 1.000 0.857 CB 0.793 8 residues pruned to eliminate duplicates Z: 9 10.611 1.973 0.234 0.888 1.000 0.750 CB 1.110 9 residues pruned to eliminate duplicates Z: 21 5.888 1.720 0.185 0.214 0.750 0.400 CB 1.207 20 residues pruned to eliminate duplicates Z: 6 5.051 1.774 -0.049 0.562 1.000 0.600 CB 1.261 Z: 24 25.844 2.095 0.595 0.615 0.957 0.696 CB 1.511 24 residues pruned to eliminate duplicates Z: 40 21.841 2.166 0.342 0.429 0.897 0.538 CB 1.443 40 residues pruned to eliminate duplicates Z: 16 5.592 1.848 0.150 0.245 0.800 0.467 CB 1.140 16 residues pruned to eliminate duplicates Z: 8 7.515 1.765 0.590 0.878 0.857 0.714 CB 0.857 8 residues pruned to eliminate duplicates Z: 10 11.932 2.103 0.995 0.553 0.889 0.778 CB 1.012 10 residues pruned to eliminate duplicates Z: 49 30.863 2.156 0.585 0.464 0.938 0.646 CB 1.442 49 residues pruned to eliminate duplicates Z: 15 9.101 1.716 0.531 0.581 0.929 0.786 CB 0.923 15 residues pruned to eliminate duplicates Z: 10 8.814 1.891 0.592 0.612 0.778 0.556 CA 1.129 10 residues pruned to eliminate duplicates Z: 112 62.931 2.180 0.699 0.595 0.955 0.721 CB 1.542 112 residues pruned to eliminate duplicates Z: 21 34.955 2.135 0.873 0.722 1.000 0.850 CB 1.600 21 residues pruned to eliminate duplicates Z: 12 23.602 2.117 0.630 0.939 1.000 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 17 35.326 2.005 0.876 0.945 1.000 0.438 CB 1.624 17 residues pruned to eliminate duplicates Z: 7 5.635 1.808 -0.005 0.610 1.000 0.667 CB 1.152 6 residues pruned to eliminate duplicates Z: 8 3.754 1.454 -0.005 0.523 0.857 0.429 N 1.119 Z: 9 8.380 1.735 0.440 0.894 1.000 0.750 CB 0.851 9 residues pruned to eliminate duplicates Z: 7 6.036 1.593 0.309 0.781 0.833 0.500 CB 1.107 7 residues pruned to eliminate duplicates Z: 6 6.186 1.955 0.015 0.750 0.800 0.600 CB 1.394 6 residues pruned to eliminate duplicates Z: 40 27.838 2.186 0.574 0.438 0.974 0.564 CB 1.418 40 residues pruned to eliminate duplicates Z: 73 52.373 2.232 0.646 0.571 0.986 0.722 CB 1.591 73 residues pruned to eliminate duplicates Z: 95 52.121 2.174 0.691 0.549 0.904 0.681 CB 1.542 95 residues pruned to eliminate duplicates Z: 7 3.353 1.759 0.069 0.702 0.833 0.667 CB 0.727 7 residues pruned to eliminate duplicates Z: 11 3.313 1.735 0.035 0.268 0.900 0.400 CB 0.844 Z: 6 10.367 2.039 0.353 0.672 1.000 0.800 CA 1.435 6 residues pruned to eliminate duplicates 6 1.798 1.385 0.531 0.277 0.600 0.400 C 0.813 ? Z: 12 16.566 1.958 0.338 0.888 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 7 7.546 1.793 0.270 0.764 1.000 0.500 CB 1.070 7 residues pruned to eliminate duplicates Z: 52 39.359 2.124 0.760 0.573 0.882 0.647 CB 1.558 52 residues pruned to eliminate duplicates Z: 8 8.564 2.030 0.618 0.313 0.857 0.571 CB 1.415 8 residues pruned to eliminate duplicates Z: 11 18.582 2.145 0.638 0.747 0.900 0.800 CB 1.490 11 residues pruned to eliminate duplicates Z: 7 9.737 1.763 0.597 0.790 1.000 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 10 8.021 1.799 0.371 0.375 1.000 0.889 CB 1.239 10 residues pruned to eliminate duplicates Z: 43 35.594 2.190 0.640 0.550 0.976 0.643 CB 1.491 43 residues pruned to eliminate duplicates Z: 28 16.295 1.865 0.711 0.468 0.778 0.481 CB 1.305 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 10.815 1.905 0.230 0.465 1.000 0.333 CB 1.236 18 residues pruned to eliminate duplicates Z: 7 10.069 1.930 0.324 0.802 1.000 0.500 CB 1.235 7 residues pruned to eliminate duplicates Z: 10 9.242 1.870 0.374 0.659 0.889 0.444 CB 1.164 10 residues pruned to eliminate duplicates Z: 17 9.804 1.864 0.350 0.403 0.875 0.312 CB 1.233 16 residues pruned to eliminate duplicates Z: 6 2.058 1.519 0.312 0.186 0.800 0.400 CA 0.842 6 residues pruned to eliminate duplicates Z: 18 9.828 1.981 0.142 0.344 0.882 0.529 CB 1.413 18 residues pruned to eliminate duplicates Z: 23 13.034 1.862 0.552 0.382 0.864 0.500 CB 1.262 19 residues pruned to eliminate duplicates Z: 6 6.733 1.534 1.279 0.284 1.000 0.600 CA 1.099 6 residues pruned to eliminate duplicates Z: 19 15.422 1.922 0.764 0.398 0.944 0.667 CB 1.264 19 residues pruned to eliminate duplicates Z: 6 4.795 1.530 0.725 0.387 1.000 0.800 CA 0.917 6 residues pruned to eliminate duplicates Z: 10 13.680 1.971 0.955 0.537 1.000 0.556 CA 1.141 10 residues pruned to eliminate duplicates Z: 19 15.921 1.918 0.673 0.486 0.944 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 10 14.272 1.964 0.763 0.626 0.889 0.667 CB 1.373 10 residues pruned to eliminate duplicates Z: 24 12.732 1.775 0.715 0.390 0.826 0.391 CB 1.185 35 residues pruned to eliminate duplicates Z: 7 4.268 1.429 0.418 0.277 1.000 0.500 CA 1.106 8 residues pruned to eliminate duplicates Z: 6 6.528 1.745 0.579 0.426 1.000 0.400 CB 1.145 6 residues pruned to eliminate duplicates Z: 11 23.551 2.257 0.804 0.595 1.000 1.000 CB 1.670 10 residues pruned to eliminate duplicates Z: 6 5.170 1.537 0.868 0.379 1.000 0.600 N 0.916 6 residues pruned to eliminate duplicates Z: 15 11.092 2.129 0.366 0.427 0.786 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 11 14.970 2.337 0.401 0.434 0.900 0.800 CB 1.720 11 residues pruned to eliminate duplicates Z: 70 40.946 2.219 0.569 0.469 0.942 0.609 CB 1.552 70 residues pruned to eliminate duplicates Z: 55 31.798 2.107 0.585 0.530 0.907 0.685 CB 1.387 54 residues pruned to eliminate duplicates Z: 6 8.890 1.872 0.660 0.485 1.000 0.800 CA 1.299 6 residues pruned to eliminate duplicates Z: 37 26.413 2.145 0.564 0.572 0.889 0.722 CB 1.378 37 residues pruned to eliminate duplicates Z: 51 38.447 2.207 0.599 0.501 0.980 0.660 CB 1.571 51 residues pruned to eliminate duplicates Z: 112 56.865 2.203 0.600 0.554 0.928 0.622 CB 1.566 112 residues pruned to eliminate duplicates Z: 107 47.139 2.194 0.587 0.495 0.887 0.623 CB 1.490 107 residues pruned to eliminate duplicates Z: 10 11.875 2.210 0.677 0.475 0.778 0.667 CB 1.408 10 residues pruned to eliminate duplicates Z: 115 61.847 2.198 0.636 0.557 0.965 0.702 CB 1.579 115 residues pruned to eliminate duplicates Z: 93 55.084 2.237 0.591 0.587 0.913 0.685 CB 1.626 93 residues pruned to eliminate duplicates Z: 57 38.932 2.277 0.589 0.511 0.875 0.661 CB 1.626 57 residues pruned to eliminate duplicates Z: 102 55.999 2.232 0.677 0.535 0.911 0.673 CB 1.580 102 residues pruned to eliminate duplicates Z: 105 60.492 2.236 0.668 0.562 0.933 0.663 CB 1.605 105 residues pruned to eliminate duplicates Z: 98 56.915 2.220 0.565 0.581 0.959 0.732 CB 1.605 98 residues pruned to eliminate duplicates Z: 35 25.834 2.145 0.505 0.552 0.882 0.676 CB 1.479 35 residues pruned to eliminate duplicates Z: 103 56.956 2.223 0.675 0.559 0.922 0.716 CB 1.552 103 residues pruned to eliminate duplicates Z: 55 43.353 2.238 0.691 0.503 0.926 0.722 CB 1.678 55 residues pruned to eliminate duplicates Z: 105 54.973 2.204 0.554 0.567 0.933 0.663 CB 1.581 105 residues pruned to eliminate duplicates Z: 71 41.305 2.173 0.471 0.556 0.929 0.671 CB 1.574 71 residues pruned to eliminate duplicates Z: 49 44.403 2.295 0.618 0.550 0.979 0.729 CB 1.679 49 residues pruned to eliminate duplicates Z: 73 51.501 2.223 0.648 0.549 0.972 0.681 CB 1.624 73 residues pruned to eliminate duplicates Z: 82 54.242 2.240 0.587 0.557 0.975 0.716 CB 1.644 82 residues pruned to eliminate duplicates Z: 44 33.299 2.199 0.527 0.516 0.907 0.628 CB 1.640 44 residues pruned to eliminate duplicates Z: 104 58.979 2.239 0.604 0.566 0.942 0.680 CB 1.612 104 residues pruned to eliminate duplicates Z: 72 47.647 2.238 0.611 0.556 0.930 0.690 CB 1.598 72 residues pruned to eliminate duplicates Z: 24 25.850 2.171 0.416 0.664 0.913 0.783 CB 1.650 24 residues pruned to eliminate duplicates Z: 60 39.842 2.151 0.733 0.546 0.898 0.678 CB 1.481 106 residues pruned to eliminate duplicates Z: 47 34.936 2.230 0.568 0.495 0.957 0.717 CB 1.547 47 residues pruned to eliminate duplicates Z: 33 30.729 2.160 0.637 0.615 0.938 0.750 CB 1.470 33 residues pruned to eliminate duplicates Z: 28 21.920 2.149 0.336 0.597 0.926 0.704 CB 1.446 28 residues pruned to eliminate duplicates Z: 104 53.214 2.207 0.599 0.534 0.942 0.641 CB 1.525 104 residues pruned to eliminate duplicates Z: 52 31.288 2.229 0.448 0.458 0.922 0.588 CB 1.537 52 residues pruned to eliminate duplicates Z: 70 48.707 2.247 0.640 0.565 0.913 0.667 CB 1.637 70 residues pruned to eliminate duplicates Z: 61 37.472 2.251 0.545 0.473 0.917 0.600 CB 1.558 61 residues pruned to eliminate duplicates Z: 80 47.429 2.217 0.579 0.547 0.937 0.709 CB 1.554 80 residues pruned to eliminate duplicates Z: 60 37.109 2.211 0.488 0.514 0.966 0.746 CB 1.499 60 residues pruned to eliminate duplicates Z: 113 57.037 2.172 0.644 0.549 0.938 0.705 CB 1.535 113 residues pruned to eliminate duplicates Z: 108 55.508 2.212 0.675 0.538 0.907 0.654 CB 1.539 108 residues pruned to eliminate duplicates Z: 27 32.069 2.287 0.629 0.520 0.962 0.692 CB 1.722 27 residues pruned to eliminate duplicates Z: 48 36.129 2.274 0.492 0.460 0.957 0.660 CB 1.690 48 residues pruned to eliminate duplicates Z: 64 41.025 2.175 0.629 0.474 0.952 0.667 CB 1.573 64 residues pruned to eliminate duplicates Z: 66 40.760 2.241 0.564 0.512 0.938 0.692 CB 1.519 66 residues pruned to eliminate duplicates Z: 50 44.936 2.266 0.657 0.549 1.000 0.714 CB 1.630 50 residues pruned to eliminate duplicates Z: 92 57.955 2.239 0.641 0.567 0.945 0.648 CB 1.640 92 residues pruned to eliminate duplicates Z: 105 57.636 2.232 0.613 0.554 0.942 0.683 CB 1.580 105 residues pruned to eliminate duplicates Z: 110 58.661 2.218 0.620 0.569 0.936 0.661 CB 1.563 110 residues pruned to eliminate duplicates Z: 90 60.474 2.243 0.723 0.589 0.933 0.663 CB 1.634 90 residues pruned to eliminate duplicates Z: 84 46.560 2.214 0.540 0.542 0.916 0.711 CB 1.571 84 residues pruned to eliminate duplicates Z: 106 55.600 2.233 0.597 0.551 0.933 0.724 CB 1.550 106 residues pruned to eliminate duplicates Z: 115 56.093 2.174 0.605 0.543 0.947 0.640 CB 1.523 115 residues pruned to eliminate duplicates Z: 98 55.769 2.228 0.580 0.570 0.928 0.670 CB 1.619 98 residues pruned to eliminate duplicates Z: 107 58.556 2.219 0.640 0.564 0.943 0.679 CB 1.557 107 residues pruned to eliminate duplicates Z: 103 58.506 2.248 0.663 0.571 0.931 0.667 CB 1.554 103 residues pruned to eliminate duplicates Z: 106 55.352 2.187 0.598 0.569 0.933 0.667 CB 1.548 106 residues pruned to eliminate duplicates Z: 71 52.489 2.273 0.607 0.604 0.957 0.743 CB 1.626 71 residues pruned to eliminate duplicates Z: 117 55.258 2.163 0.626 0.556 0.914 0.690 CB 1.512 117 residues pruned to eliminate duplicates Z: 68 43.793 2.226 0.558 0.523 0.955 0.761 CB 1.579 68 residues pruned to eliminate duplicates Z: 71 48.220 2.258 0.672 0.513 0.929 0.657 CB 1.623 71 residues pruned to eliminate duplicates Z: 103 58.144 2.213 0.615 0.597 0.951 0.686 CB 1.545 103 residues pruned to eliminate duplicates Z: 49 43.776 2.184 0.720 0.646 0.938 0.771 CB 1.565 49 residues pruned to eliminate duplicates Z: 87 56.999 2.244 0.628 0.574 0.930 0.686 CB 1.683 87 residues pruned to eliminate duplicates Z: 49 44.246 2.209 0.709 0.658 0.917 0.708 CB 1.593 49 residues pruned to eliminate duplicates Z: 103 60.251 2.243 0.613 0.588 0.951 0.725 CB 1.593 103 residues pruned to eliminate duplicates Z: 49 45.657 2.221 0.713 0.657 0.938 0.750 CB 1.597 49 residues pruned to eliminate duplicates Z: 51 47.843 2.196 0.805 0.632 0.940 0.660 CB 1.604 51 residues pruned to eliminate duplicates Z: 105 58.184 2.222 0.668 0.564 0.913 0.712 CB 1.584 105 residues pruned to eliminate duplicates Z: 49 37.913 2.135 0.635 0.655 0.875 0.646 CB 1.552 49 residues pruned to eliminate duplicates Z: 51 45.669 2.200 0.749 0.633 0.920 0.660 CB 1.611 51 residues pruned to eliminate duplicates Z: 66 41.230 2.031 0.696 0.579 0.923 0.615 CB 1.490 66 residues pruned to eliminate duplicates Z: 106 57.778 2.225 0.632 0.542 0.952 0.676 CB 1.565 106 residues pruned to eliminate duplicates Z: 60 43.784 2.092 0.697 0.626 0.932 0.627 CB 1.531 60 residues pruned to eliminate duplicates Z: 107 56.157 2.201 0.628 0.579 0.915 0.660 CB 1.542 107 residues pruned to eliminate duplicates Z: 102 55.843 2.226 0.662 0.561 0.921 0.644 CB 1.538 102 residues pruned to eliminate duplicates Z: 104 57.800 2.181 0.654 0.581 0.942 0.602 CB 1.551 104 residues pruned to eliminate duplicates Z: 49 42.256 2.147 0.824 0.600 0.917 0.542 CB 1.545 49 residues pruned to eliminate duplicates Z: 103 63.907 2.253 0.728 0.588 0.941 0.706 CB 1.587 103 residues pruned to eliminate duplicates Z: 85 60.018 2.260 0.732 0.590 0.929 0.619 CB 1.653 85 residues pruned to eliminate duplicates Z: 50 47.782 2.187 0.840 0.637 0.939 0.592 CB 1.588 50 residues pruned to eliminate duplicates Z: 85 57.670 2.233 0.682 0.564 0.940 0.583 CB 1.674 85 residues pruned to eliminate duplicates Z: 64 40.429 2.100 0.712 0.610 0.873 0.571 CB 1.462 64 residues pruned to eliminate duplicates Z: 106 61.692 2.228 0.726 0.568 0.943 0.648 CB 1.555 106 residues pruned to eliminate duplicates Z: 25 29.968 2.202 0.712 0.653 0.875 0.708 CB 1.608 25 residues pruned to eliminate duplicates Z: 96 62.324 2.230 0.746 0.618 0.947 0.695 CB 1.551 96 residues pruned to eliminate duplicates Z: 94 62.062 2.235 0.694 0.616 0.957 0.634 CB 1.592 94 residues pruned to eliminate duplicates Z: 51 46.387 2.174 0.842 0.653 0.920 0.580 CB 1.544 51 residues pruned to eliminate duplicates Z: 25 29.665 2.242 0.736 0.599 0.917 0.708 CB 1.545 25 residues pruned to eliminate duplicates Z: 50 46.027 2.195 0.760 0.636 0.939 0.612 CB 1.596 50 residues pruned to eliminate duplicates Z: 53 43.295 2.141 0.845 0.616 0.904 0.731 CB 1.507 53 residues pruned to eliminate duplicates Z: 103 58.027 2.228 0.660 0.574 0.941 0.686 CB 1.538 103 residues pruned to eliminate duplicates Z: 55 45.643 2.127 0.890 0.613 0.944 0.648 CB 1.470 55 residues pruned to eliminate duplicates Z: 51 44.080 2.162 0.743 0.649 0.920 0.720 CB 1.565 51 residues pruned to eliminate duplicates Z: 111 57.627 2.186 0.683 0.579 0.918 0.664 CB 1.508 111 residues pruned to eliminate duplicates Z: 85 62.699 2.253 0.760 0.600 0.940 0.643 CB 1.668 85 residues pruned to eliminate duplicates Z: 24 34.116 2.296 0.753 0.645 0.957 0.739 CB 1.613 24 residues pruned to eliminate duplicates Z: 26 33.319 2.247 0.822 0.595 0.920 0.560 CB 1.615 26 residues pruned to eliminate duplicates Z: 105 60.187 2.224 0.702 0.589 0.913 0.712 CB 1.567 105 residues pruned to eliminate duplicates Z: 92 60.346 2.198 0.720 0.582 0.934 0.582 CB 1.655 92 residues pruned to eliminate duplicates Z: 111 61.675 2.211 0.668 0.567 0.936 0.655 CB 1.596 111 residues pruned to eliminate duplicates Z: 51 47.679 2.186 0.850 0.671 0.960 0.660 CB 1.484 51 residues pruned to eliminate duplicates Z: 27 29.813 2.181 0.703 0.608 0.923 0.692 CB 1.539 27 residues pruned to eliminate duplicates Z: 53 42.435 2.152 0.790 0.636 0.885 0.615 CB 1.521 53 residues pruned to eliminate duplicates Z: 96 61.789 2.223 0.765 0.611 0.937 0.695 CB 1.553 96 residues pruned to eliminate duplicates Z: 106 55.652 2.204 0.626 0.583 0.924 0.724 CB 1.514 106 residues pruned to eliminate duplicates Z: 28 24.677 2.161 0.685 0.522 0.852 0.630 CB 1.499 28 residues pruned to eliminate duplicates Z: 62 37.134 2.140 0.697 0.499 0.869 0.607 CB 1.509 62 residues pruned to eliminate duplicates Z: 32 35.682 2.164 0.844 0.584 0.968 0.677 CB 1.531 32 residues pruned to eliminate duplicates Z: 88 52.146 2.145 0.689 0.575 0.943 0.701 CB 1.523 70 residues pruned to eliminate duplicates Z: 9 16.443 1.980 0.509 0.770 1.000 0.750 CB 1.532 9 residues pruned to eliminate duplicates Z: 34 39.688 2.158 0.874 0.633 0.970 0.758 CB 1.555 13 residues pruned to eliminate duplicates Z: 13 21.986 2.018 0.516 0.902 1.000 0.583 CA 1.479 12 residues pruned to eliminate duplicates Z: 13 22.018 2.027 0.508 0.912 1.000 0.583 CA 1.473 13 residues pruned to eliminate duplicates Z: 34 43.000 2.197 0.945 0.670 1.000 0.848 CB 1.497 34 residues pruned to eliminate duplicates Z: 34 41.171 2.178 0.961 0.643 0.970 0.758 CB 1.514 34 residues pruned to eliminate duplicates Z: 15 25.260 2.066 0.770 0.787 1.000 0.571 CA 1.435 15 residues pruned to eliminate duplicates Z: 15 20.310 1.981 0.536 0.752 1.000 0.571 CA 1.425 15 residues pruned to eliminate duplicates Z: 33 42.431 2.196 0.990 0.630 1.000 0.812 CB 1.520 34 residues pruned to eliminate duplicates Z: 6 5.824 1.495 0.816 0.383 1.000 0.600 N 1.086 Z: 7 7.232 1.660 0.667 0.474 1.000 0.500 CB 1.096 Z: 12 15.986 2.176 0.665 0.597 0.818 0.455 CA 1.482 3 residues pruned to eliminate duplicates Z: 9 12.504 2.199 0.413 0.729 0.875 0.625 CA 1.323 9 residues pruned to eliminate duplicates Z: 27 20.860 2.092 0.673 0.488 0.846 0.654 CB 1.398 22 residues pruned to eliminate duplicates Z: 10 17.965 2.128 0.663 0.751 1.000 0.444 CA 1.352 13 residues pruned to eliminate duplicates Z: 9 16.585 2.179 0.878 0.685 0.875 0.500 CA 1.382 9 residues pruned to eliminate duplicates Z: 61 33.488 2.115 0.611 0.499 0.867 0.567 CB 1.466 57 residues pruned to eliminate duplicates Z: 9 15.106 2.109 0.734 0.642 0.875 0.375 CA 1.462 9 residues pruned to eliminate duplicates Z: 28 22.357 2.061 0.629 0.515 0.926 0.519 CB 1.364 28 residues pruned to eliminate duplicates Z: 9 15.897 2.321 0.893 0.572 0.750 0.375 CA 1.591 9 residues pruned to eliminate duplicates Z: 64 37.646 2.116 0.680 0.521 0.889 0.635 CB 1.470 61 residues pruned to eliminate duplicates Z: 7 4.675 1.735 0.648 0.242 0.667 0.500 C 1.349 7 residues pruned to eliminate duplicates Z: 39 21.544 2.043 0.440 0.480 0.895 0.658 CB 1.354 39 residues pruned to eliminate duplicates Z: 38 17.183 1.927 0.398 0.476 0.811 0.622 CB 1.326 38 residues pruned to eliminate duplicates Z: 12 10.177 1.969 0.513 0.393 0.818 0.727 CB 1.410 12 residues pruned to eliminate duplicates Z: 12 10.850 2.071 0.335 0.335 0.909 0.545 CB 1.558 12 residues pruned to eliminate duplicates Z: 49 28.650 2.166 0.564 0.449 0.917 0.562 CB 1.403 49 residues pruned to eliminate duplicates Z: 32 20.051 2.044 0.400 0.524 0.903 0.645 CB 1.361 32 residues pruned to eliminate duplicates Z: 44 18.884 1.929 0.516 0.444 0.860 0.512 CB 1.212 44 residues pruned to eliminate duplicates Z: 34 21.891 2.082 0.495 0.523 0.879 0.515 CB 1.362 34 residues pruned to eliminate duplicates Z: 60 30.615 2.154 0.586 0.454 0.881 0.542 CB 1.388 60 residues pruned to eliminate duplicates Z: 62 27.322 2.106 0.430 0.447 0.885 0.557 CB 1.386 62 residues pruned to eliminate duplicates Z: 61 27.498 2.075 0.434 0.495 0.867 0.617 CB 1.384 61 residues pruned to eliminate duplicates Z: 63 28.195 2.107 0.504 0.437 0.903 0.532 CB 1.335 63 residues pruned to eliminate duplicates Z: 23 20.367 1.991 0.523 0.664 0.955 0.682 CB 1.289 23 residues pruned to eliminate duplicates Z: 24 18.733 2.041 0.462 0.553 0.957 0.565 CB 1.299 24 residues pruned to eliminate duplicates Z: 21 19.804 2.083 0.417 0.674 1.000 0.650 CB 1.278 21 residues pruned to eliminate duplicates Z: 33 19.487 2.053 0.412 0.551 0.875 0.594 CB 1.292 33 residues pruned to eliminate duplicates Z: 51 28.470 2.154 0.553 0.466 0.900 0.600 CB 1.384 51 residues pruned to eliminate duplicates Z: 27 13.867 1.950 0.384 0.519 0.885 0.692 CB 1.117 27 residues pruned to eliminate duplicates Z: 36 19.546 2.012 0.478 0.495 0.886 0.543 CB 1.260 36 residues pruned to eliminate duplicates Z: 23 17.619 1.987 0.542 0.648 0.864 0.727 CB 1.236 23 residues pruned to eliminate duplicates Z: 33 20.167 2.047 0.500 0.530 0.844 0.531 CB 1.336 33 residues pruned to eliminate duplicates Z: 46 32.113 2.174 0.563 0.502 0.978 0.511 CB 1.438 46 residues pruned to eliminate duplicates Z: 44 31.969 2.231 0.643 0.514 0.907 0.581 CB 1.446 44 residues pruned to eliminate duplicates Z: 50 32.567 2.142 0.661 0.507 0.959 0.551 CB 1.354 50 residues pruned to eliminate duplicates Z: 61 30.852 2.151 0.512 0.479 0.883 0.533 CB 1.416 61 residues pruned to eliminate duplicates Z: 42 27.192 2.172 0.594 0.428 0.902 0.463 CB 1.463 42 residues pruned to eliminate duplicates Z: 57 30.653 2.160 0.516 0.494 0.929 0.571 CB 1.356 57 residues pruned to eliminate duplicates Z: 48 32.940 2.157 0.680 0.544 0.936 0.660 CB 1.357 48 residues pruned to eliminate duplicates Z: 76 33.357 2.108 0.476 0.504 0.893 0.587 CB 1.380 76 residues pruned to eliminate duplicates Z: 49 32.127 2.132 0.567 0.515 0.979 0.562 CB 1.398 49 residues pruned to eliminate duplicates Z: 41 29.018 2.151 0.582 0.528 0.925 0.575 CB 1.419 41 residues pruned to eliminate duplicates Z: 48 29.993 2.145 0.604 0.515 0.936 0.660 CB 1.338 48 residues pruned to eliminate duplicates Z: 50 24.616 2.128 0.439 0.485 0.878 0.531 CB 1.329 50 residues pruned to eliminate duplicates Z: 48 29.802 2.144 0.592 0.528 0.957 0.532 CB 1.293 48 residues pruned to eliminate duplicates Z: 49 29.521 2.142 0.564 0.541 0.896 0.625 CB 1.363 49 residues pruned to eliminate duplicates Z: 41 25.321 2.149 0.508 0.439 0.950 0.500 CB 1.385 41 residues pruned to eliminate duplicates Z: 62 32.191 2.139 0.648 0.482 0.869 0.607 CB 1.370 62 residues pruned to eliminate duplicates Z: 51 29.282 2.104 0.517 0.487 0.960 0.540 CB 1.368 51 residues pruned to eliminate duplicates Z: 60 30.191 2.121 0.466 0.481 0.932 0.542 CB 1.382 60 residues pruned to eliminate duplicates Z: 70 37.657 2.156 0.538 0.493 0.928 0.551 CB 1.485 70 residues pruned to eliminate duplicates Z: 61 27.982 2.107 0.439 0.473 0.900 0.533 CB 1.361 61 residues pruned to eliminate duplicates Z: 66 36.888 2.198 0.539 0.510 0.877 0.508 CB 1.527 66 residues pruned to eliminate duplicates Z: 47 27.655 2.124 0.688 0.479 0.870 0.565 CB 1.336 47 residues pruned to eliminate duplicates Z: 44 26.870 2.109 0.369 0.550 0.884 0.628 CB 1.529 44 residues pruned to eliminate duplicates Z: 61 29.479 2.122 0.492 0.465 0.917 0.533 CB 1.359 61 residues pruned to eliminate duplicates Z: 38 31.606 2.248 0.695 0.475 0.946 0.622 CB 1.478 38 residues pruned to eliminate duplicates Z: 86 33.906 2.119 0.494 0.458 0.894 0.565 CB 1.356 86 residues pruned to eliminate duplicates Z: 17 24.469 2.168 0.357 0.864 0.938 0.688 CA 1.627 17 residues pruned to eliminate duplicates Z: 47 31.966 2.013 0.565 0.613 0.935 0.522 CB 1.438 47 residues pruned to eliminate duplicates Z: 49 29.983 2.009 0.447 0.592 0.938 0.604 CB 1.455 49 residues pruned to eliminate duplicates Z: 52 28.554 1.993 0.537 0.548 0.882 0.549 CB 1.412 52 residues pruned to eliminate duplicates Z: 49 28.665 2.025 0.451 0.613 0.875 0.604 CB 1.447 49 residues pruned to eliminate duplicates Z: 45 29.001 1.943 0.584 0.569 0.909 0.636 CB 1.463 41 residues pruned to eliminate duplicates Z: 16 35.343 2.279 0.634 0.851 1.000 0.533 CA 1.815 9 residues pruned to eliminate duplicates Z: 18 28.769 2.168 0.586 0.817 0.882 0.647 CA 1.746 18 residues pruned to eliminate duplicates Z: 36 28.158 2.051 0.463 0.647 0.914 0.571 CB 1.513 21 residues pruned to eliminate duplicates Z: 18 29.908 2.091 0.590 0.890 0.941 0.588 CA 1.667 18 residues pruned to eliminate duplicates Z: 38 27.603 2.039 0.507 0.678 0.838 0.595 CB 1.497 37 residues pruned to eliminate duplicates Z: 16 38.390 2.335 0.743 0.927 0.933 0.933 CB 1.828 16 residues pruned to eliminate duplicates Z: 37 31.034 2.066 0.544 0.616 0.944 0.500 CB 1.539 38 residues pruned to eliminate duplicates Z: 16 40.079 2.253 0.889 0.870 1.000 0.533 CA 1.775 16 residues pruned to eliminate duplicates Z: 50 32.368 2.001 0.562 0.606 0.939 0.571 CB 1.426 38 residues pruned to eliminate duplicates Z: 19 32.399 2.143 0.890 0.787 0.889 0.444 CB 1.649 19 residues pruned to eliminate duplicates Z: 35 34.029 2.086 0.658 0.644 0.971 0.647 CB 1.519 35 residues pruned to eliminate duplicates Z: 32 30.223 2.074 0.579 0.621 0.935 0.613 CA 1.581 32 residues pruned to eliminate duplicates Z: 36 32.180 2.058 0.697 0.603 0.914 0.486 CA 1.545 36 residues pruned to eliminate duplicates Z: 48 29.904 1.937 0.612 0.610 0.915 0.596 CB 1.376 48 residues pruned to eliminate duplicates Z: 27 16.515 1.889 0.465 0.513 0.885 0.423 CB 1.306 27 residues pruned to eliminate duplicates Z: 76 43.986 2.139 0.663 0.543 0.933 0.573 CB 1.467 76 residues pruned to eliminate duplicates Z: 48 36.061 2.017 0.659 0.646 0.936 0.660 CB 1.465 48 residues pruned to eliminate duplicates Z: 8 6.217 1.780 0.332 0.569 1.000 0.571 CB 0.927 Z: 50 30.400 1.983 0.704 0.590 0.816 0.429 CB 1.444 58 residues pruned to eliminate duplicates Z: 27 17.394 1.856 0.479 0.553 0.923 0.615 CB 1.278 27 residues pruned to eliminate duplicates Z: 8 7.462 1.712 0.538 0.656 1.000 0.429 CB 0.927 8 residues pruned to eliminate duplicates Z: 49 36.686 1.979 0.711 0.641 1.000 0.646 CB 1.370 50 residues pruned to eliminate duplicates Z: 10 6.336 1.603 0.234 0.657 1.000 0.667 CB 0.923 10 residues pruned to eliminate duplicates Z: 50 37.872 1.990 0.695 0.675 0.939 0.653 CB 1.454 49 residues pruned to eliminate duplicates Z: 11 9.228 1.736 0.687 0.543 0.900 0.500 CB 1.062 11 residues pruned to eliminate duplicates Z: 27 20.296 1.879 0.612 0.613 0.962 0.654 CB 1.228 27 residues pruned to eliminate duplicates Z: 51 36.911 2.004 0.671 0.639 0.960 0.500 CB 1.425 52 residues pruned to eliminate duplicates Z: 6 2.538 1.411 0.536 0.368 0.800 0.800 N 0.754 Z: 12 18.305 2.082 0.241 0.838 1.000 0.909 CA 1.598 12 residues pruned to eliminate duplicates Z: 20 22.257 2.134 0.477 0.621 0.947 0.737 CA 1.525 20 residues pruned to eliminate duplicates Z: 19 26.830 2.200 0.526 0.629 0.944 0.778 CB 1.767 19 residues pruned to eliminate duplicates Z: 20 25.472 2.139 0.555 0.636 0.947 0.789 CB 1.631 20 residues pruned to eliminate duplicates Z: 20 23.515 2.087 0.536 0.584 0.947 0.684 CB 1.639 20 residues pruned to eliminate duplicates Z: 17 18.524 2.078 0.177 0.668 1.000 0.812 CA 1.621 17 residues pruned to eliminate duplicates Z: 26 21.075 1.992 0.601 0.527 0.840 0.640 CB 1.533 24 residues pruned to eliminate duplicates Z: 13 20.437 2.106 0.357 0.913 1.000 0.833 CA 1.461 13 residues pruned to eliminate duplicates Z: 20 26.468 2.112 0.780 0.617 0.895 0.684 CB 1.616 20 residues pruned to eliminate duplicates Z: 20 28.138 2.137 0.716 0.596 1.000 0.579 CB 1.605 20 residues pruned to eliminate duplicates Z: 19 33.186 2.242 0.793 0.657 1.000 0.722 CB 1.682 19 residues pruned to eliminate duplicates Z: 19 30.436 2.225 0.688 0.661 1.000 0.611 CB 1.645 19 residues pruned to eliminate duplicates Z: 30 20.238 1.970 0.576 0.470 0.897 0.586 CB 1.391 28 residues pruned to eliminate duplicates Z: 6 13.470 2.261 0.742 0.445 1.000 0.600 CA 1.620 6 residues pruned to eliminate duplicates Z: 20 26.877 2.153 0.620 0.624 1.000 0.526 CB 1.572 20 residues pruned to eliminate duplicates Z: 28 19.651 2.032 0.578 0.474 0.852 0.519 CB 1.421 28 residues pruned to eliminate duplicates Z: 26 19.739 2.142 0.387 0.549 0.840 0.680 CB 1.508 26 residues pruned to eliminate duplicates Z: 18 15.029 2.194 0.397 0.364 0.941 0.471 CB 1.462 18 residues pruned to eliminate duplicates Z: 17 12.153 2.136 0.548 0.293 0.875 0.562 CB 1.324 17 residues pruned to eliminate duplicates Z: 18 13.164 1.977 0.517 0.291 0.941 0.647 CB 1.430 18 residues pruned to eliminate duplicates Z: 32 21.034 2.022 0.493 0.464 0.935 0.613 CB 1.388 32 residues pruned to eliminate duplicates 313 residues left after pruning, divided into chains as follows: A: 22 B: 133 C: 26 D: 132 CC for partial structure against native data = 35.17 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.433, Connect. = 0.734 for dens.mod. cycle 1 = 0.300, Contrast = 0.489, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.587, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.585, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.592, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.593, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.597, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.598, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.600, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.600, Connect. = 0.794 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.97 - 3.13 - 2.72 - 2.47 - 2.29 - 2.15 - 2.04 - 1.95 - 1.87 - 1.81 0.656 0.669 0.643 0.646 0.676 0.633 0.557 0.510 0.491 0.467 0.804 0.829 0.801 0.804 0.827 0.777 0.682 0.626 0.595 0.554 N 3820 3834 3901 3786 3833 3924 3865 3861 4043 3321 Estimated mean FOM = 0.596 Pseudo-free CC = 62.14 % Best trace (cycle 1 with CC 41.69%) was saved as ./2fur-1.8-parrot-hancs/2fur-1.8-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 4.3 - FFTs and peak-searches 11.2 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 907.4 - Tripeptide search 12260.3 - Chain tracing 0.0 - NCS analysis 23.9 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 19:54:30 Total time: 13208.03 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 221.32 Used memory is bytes: 5304784