++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:28:22 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-mrncs/2fur-1.8-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.ins Phases from ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.phi Native data from ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.hkl Listing output to ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.lst Phases output to ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.phs Poly-Ala trace output to ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 38188 Reflections read from file ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.phi 38188 Reflections read from file ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.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 = 0.321, Connect. = 0.726 for dens.mod. cycle 1 = 0.300, Contrast = 0.390, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.488, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.776 for dens.mod. cycle 4 = 0.300, Contrast = 0.532, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.542, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.788 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.790 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.792 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.793 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1755 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 434 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 13.910 1.932 0.646 0.399 0.846 0.308 CA 1.595 B: 24 20.918 2.113 0.764 0.353 0.913 0.565 CB 1.503 10 residues pruned to eliminate duplicates C: 13 23.499 2.001 0.682 0.894 1.000 0.750 CA 1.446 D: 10 24.780 2.243 1.369 0.515 1.000 0.778 CB 1.532 E: 13 21.807 2.006 0.538 0.925 1.000 0.917 CB 1.431 13 residues pruned to eliminate duplicates F: 48 31.206 1.998 0.911 0.589 0.851 0.532 CB 1.287 G: 13 13.655 2.099 0.546 0.619 0.833 0.500 CB 1.303 H: 9 15.054 2.149 0.842 0.573 0.875 0.625 CB 1.432 I: 11 15.464 2.073 0.770 0.552 0.900 0.600 CB 1.408 9 residues pruned to eliminate duplicates J: 46 26.833 2.057 0.656 0.443 0.911 0.533 CB 1.366 13 residues pruned to eliminate duplicates K: 18 19.339 2.076 0.716 0.495 0.882 0.647 CB 1.499 L: 20 17.607 1.950 0.661 0.686 0.895 0.789 CB 1.175 18 residues pruned to eliminate duplicates M: 17 27.347 1.988 0.784 0.947 0.938 0.625 CB 1.421 16 residues pruned to eliminate duplicates N: 73 40.252 2.049 0.837 0.554 0.917 0.625 CB 1.304 72 residues pruned to eliminate duplicates O: 22 33.423 2.087 0.929 0.690 1.000 0.810 CB 1.522 P: 18 25.552 2.078 0.537 0.893 0.941 0.824 CA 1.480 Q: 14 21.759 1.904 0.757 0.898 0.923 0.769 CB 1.398 13 residues pruned to eliminate duplicates R: 10 17.243 2.058 0.979 0.636 0.889 0.667 CB 1.397 10 residues pruned to eliminate duplicates S: 21 20.409 2.078 0.461 0.702 0.900 0.650 CB 1.390 21 residues pruned to eliminate duplicates T: 8 13.518 1.692 0.978 0.766 1.000 0.714 CA 1.206 U: 29 21.022 2.076 0.659 0.440 0.857 0.571 CB 1.432 29 residues pruned to eliminate duplicates V: 79 42.949 2.073 0.668 0.553 0.949 0.513 CB 1.408 66 residues pruned to eliminate duplicates W: 17 33.691 2.133 1.005 0.893 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates X: 11 24.643 2.081 1.032 0.676 1.000 0.800 CB 1.567 Y: 17 30.705 2.120 1.094 0.892 0.875 0.500 CB 1.419 17 residues pruned to eliminate duplicates Z: 18 28.419 2.081 0.629 0.850 1.000 0.765 CA 1.505 18 residues pruned to eliminate duplicates Z: 12 24.300 2.099 0.741 0.868 1.000 0.727 CB 1.465 12 residues pruned to eliminate duplicates Z: 28 13.688 1.933 0.526 0.382 0.889 0.481 CB 1.139 28 residues pruned to eliminate duplicates Z: 12 28.564 2.129 1.000 0.937 1.000 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 58 43.746 2.052 0.884 0.620 0.947 0.614 CB 1.412 56 residues pruned to eliminate duplicates Z: 11 15.229 2.051 0.866 0.527 0.900 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 69 40.751 2.061 0.818 0.538 0.926 0.618 CB 1.371 69 residues pruned to eliminate duplicates Z: 62 34.947 2.030 0.670 0.552 0.869 0.656 CB 1.445 50 residues pruned to eliminate duplicates Z: 34 21.967 1.949 0.764 0.562 0.879 0.667 CB 1.192 26 residues pruned to eliminate duplicates Z: 50 30.578 2.068 0.664 0.507 0.939 0.551 CB 1.343 50 residues pruned to eliminate duplicates Z: 13 26.388 2.028 0.774 0.934 1.000 0.833 CA 1.476 13 residues pruned to eliminate duplicates Z: 22 35.892 2.141 0.908 0.692 1.000 0.857 CB 1.609 22 residues pruned to eliminate duplicates Z: 13 16.191 2.059 0.695 0.524 0.917 0.583 CB 1.427 11 residues pruned to eliminate duplicates Z: 12 26.739 2.040 0.789 0.928 1.000 0.818 CB 1.547 13 residues pruned to eliminate duplicates Z: 22 27.834 2.041 0.590 0.719 1.000 0.762 CB 1.535 23 residues pruned to eliminate duplicates Z: 9 12.936 2.030 0.556 0.592 0.875 0.625 CB 1.516 9 residues pruned to eliminate duplicates Z: 16 33.472 2.201 0.716 0.952 1.000 0.933 CB 1.575 16 residues pruned to eliminate duplicates Z: 9 6.623 1.733 0.402 0.437 0.750 0.625 C 1.372 Z: 11 16.043 1.970 0.918 0.656 0.800 0.800 CB 1.452 11 residues pruned to eliminate duplicates Z: 16 28.601 2.087 0.818 0.944 0.933 0.667 CB 1.444 Z: 37 18.920 1.935 0.561 0.448 0.944 0.528 CB 1.167 18 residues pruned to eliminate duplicates Z: 22 17.655 1.928 0.641 0.619 0.857 0.619 CB 1.269 12 residues pruned to eliminate duplicates Z: 13 28.089 2.050 0.928 0.908 1.000 0.833 CB 1.457 13 residues pruned to eliminate duplicates Z: 17 29.797 2.148 0.797 0.886 0.938 0.688 CB 1.485 17 residues pruned to eliminate duplicates Z: 13 20.940 1.976 0.683 0.894 0.917 0.500 CB 1.422 13 residues pruned to eliminate duplicates Z: 79 42.291 2.077 0.678 0.560 0.936 0.577 CB 1.386 79 residues pruned to eliminate duplicates Z: 17 25.130 1.978 0.614 0.953 0.938 0.750 CB 1.444 17 residues pruned to eliminate duplicates Z: 9 21.809 2.037 1.035 0.711 1.000 0.875 CB 1.535 9 residues pruned to eliminate duplicates Z: 12 24.356 2.131 0.664 0.927 1.000 0.909 CB 1.451 12 residues pruned to eliminate duplicates Z: 18 29.466 1.937 0.896 0.850 1.000 0.588 CA 1.442 18 residues pruned to eliminate duplicates Z: 33 24.882 1.821 0.577 0.624 0.969 0.719 CB 1.407 33 residues pruned to eliminate duplicates Z: 37 20.101 1.939 0.662 0.521 0.889 0.583 CB 1.145 36 residues pruned to eliminate duplicates Z: 12 15.102 1.872 0.863 0.616 0.909 0.727 CB 1.287 12 residues pruned to eliminate duplicates Z: 104 49.556 2.066 0.735 0.543 0.922 0.621 CB 1.416 112 residues pruned to eliminate duplicates Z: 18 21.788 2.035 0.353 0.834 1.000 0.882 CB 1.439 18 residues pruned to eliminate duplicates Z: 32 25.131 1.899 0.871 0.585 0.935 0.710 CB 1.252 25 residues pruned to eliminate duplicates Z: 60 35.269 2.050 0.769 0.480 0.915 0.542 CB 1.411 60 residues pruned to eliminate duplicates Z: 21 35.873 2.122 0.976 0.736 1.000 0.850 CB 1.549 21 residues pruned to eliminate duplicates Z: 8 10.603 2.059 0.562 0.835 0.714 0.571 CA 1.306 Z: 83 45.438 2.075 0.777 0.555 0.927 0.549 CB 1.392 69 residues pruned to eliminate duplicates Z: 10 8.685 2.027 0.578 0.434 0.667 0.667 CB 1.454 10 residues pruned to eliminate duplicates Z: 9 11.974 1.880 0.322 0.856 1.000 0.750 CB 1.256 10 residues pruned to eliminate duplicates Z: 17 15.445 2.119 0.560 0.456 0.812 0.438 CB 1.504 17 residues pruned to eliminate duplicates Z: 10 15.904 2.141 0.913 0.531 0.889 0.778 CB 1.413 10 residues pruned to eliminate duplicates Z: 12 14.690 1.946 0.385 0.644 0.909 0.545 CA 1.581 12 residues pruned to eliminate duplicates Z: 104 49.679 2.095 0.701 0.542 0.951 0.641 CB 1.385 104 residues pruned to eliminate duplicates Z: 9 13.042 1.799 0.511 0.835 1.000 0.750 CB 1.270 9 residues pruned to eliminate duplicates Z: 13 16.142 1.990 0.216 0.916 0.917 0.750 CB 1.484 13 residues pruned to eliminate duplicates Z: 26 19.031 1.958 0.742 0.437 0.920 0.680 CB 1.295 22 residues pruned to eliminate duplicates Z: 56 40.215 2.048 0.876 0.590 0.909 0.564 CB 1.425 56 residues pruned to eliminate duplicates Z: 26 18.074 2.015 0.635 0.455 0.880 0.640 CB 1.306 26 residues pruned to eliminate duplicates Z: 17 31.099 1.970 0.882 0.957 1.000 0.750 CB 1.439 17 residues pruned to eliminate duplicates Z: 70 37.222 1.966 0.735 0.588 0.913 0.652 CB 1.323 70 residues pruned to eliminate duplicates Z: 13 18.847 1.977 0.493 0.860 1.000 0.750 CA 1.356 13 residues pruned to eliminate duplicates Z: 7 8.936 2.000 0.342 0.806 1.000 0.833 CB 1.040 7 residues pruned to eliminate duplicates Z: 60 32.836 2.050 0.743 0.498 0.932 0.542 CB 1.286 60 residues pruned to eliminate duplicates Z: 16 31.378 2.083 0.916 0.949 1.000 0.600 CB 1.402 16 residues pruned to eliminate duplicates Z: 75 40.313 2.046 0.720 0.550 0.932 0.635 CB 1.361 74 residues pruned to eliminate duplicates Z: 125 58.916 2.092 0.833 0.553 0.935 0.694 CB 1.401 125 residues pruned to eliminate duplicates Z: 17 29.610 1.975 0.819 0.935 1.000 0.562 CB 1.437 17 residues pruned to eliminate duplicates Z: 107 53.897 2.088 0.908 0.562 0.877 0.613 CB 1.410 107 residues pruned to eliminate duplicates Z: 13 16.996 2.039 1.005 0.485 0.833 0.583 CB 1.461 13 residues pruned to eliminate duplicates Z: 11 18.658 1.962 0.875 0.675 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 18 19.367 1.938 0.364 0.887 1.000 0.882 CB 1.281 18 residues pruned to eliminate duplicates Z: 18 24.295 2.043 0.445 0.883 0.941 0.824 CA 1.534 18 residues pruned to eliminate duplicates Z: 6 7.770 1.827 0.219 0.810 1.000 0.800 CB 1.191 6 residues pruned to eliminate duplicates Z: 17 25.005 2.005 0.669 0.888 1.000 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 16 29.715 2.082 0.768 0.946 1.000 0.600 CB 1.442 16 residues pruned to eliminate duplicates Z: 8 12.084 1.828 0.591 0.779 1.000 0.714 CB 1.228 8 residues pruned to eliminate duplicates Z: 60 33.124 2.094 0.604 0.505 0.966 0.644 CB 1.322 60 residues pruned to eliminate duplicates Z: 57 39.229 2.057 1.007 0.530 0.929 0.661 CB 1.327 57 residues pruned to eliminate duplicates Z: 50 43.013 2.104 0.828 0.658 0.939 0.735 CB 1.470 50 residues pruned to eliminate duplicates Z: 51 30.101 1.962 0.763 0.447 0.940 0.560 CB 1.382 51 residues pruned to eliminate duplicates Z: 6 8.394 1.750 0.333 0.779 1.000 0.600 CA 1.257 6 residues pruned to eliminate duplicates Z: 60 37.590 2.090 0.826 0.512 0.949 0.678 CB 1.335 60 residues pruned to eliminate duplicates Z: 16 31.670 2.080 0.904 0.946 1.000 0.600 CB 1.427 16 residues pruned to eliminate duplicates Z: 12 19.839 2.070 0.432 0.915 1.000 1.000 CA 1.426 12 residues pruned to eliminate duplicates Z: 20 14.901 1.813 0.837 0.401 0.895 0.368 CA 1.272 20 residues pruned to eliminate duplicates Z: 12 27.877 2.151 0.912 0.907 1.000 0.818 CB 1.453 12 residues pruned to eliminate duplicates Z: 17 26.775 1.968 0.931 0.925 0.875 0.500 CB 1.413 17 residues pruned to eliminate duplicates Z: 17 36.474 2.136 1.168 0.880 0.938 0.750 CB 1.522 17 residues pruned to eliminate duplicates Z: 11 13.625 1.902 0.759 0.540 0.900 0.600 CA 1.376 11 residues pruned to eliminate duplicates Z: 14 15.336 2.024 0.619 0.483 0.923 0.538 CB 1.430 14 residues pruned to eliminate duplicates Z: 16 23.688 2.064 0.579 0.943 1.000 0.733 CB 1.301 16 residues pruned to eliminate duplicates Z: 14 27.097 1.929 1.223 0.868 0.923 0.615 CB 1.388 14 residues pruned to eliminate duplicates Z: 8 7.500 1.847 0.362 0.619 0.857 0.714 CA 1.174 Z: 24 22.618 1.955 0.689 0.654 0.913 0.609 CB 1.356 24 residues pruned to eliminate duplicates Z: 21 22.736 2.127 0.769 0.520 0.900 0.600 CB 1.473 21 residues pruned to eliminate duplicates Z: 14 14.143 1.761 0.730 0.524 0.923 0.769 CB 1.361 14 residues pruned to eliminate duplicates Z: 16 8.641 1.934 0.873 0.345 0.733 0.600 CB 0.994 16 residues pruned to eliminate duplicates Z: 50 41.154 2.069 0.868 0.629 0.939 0.694 CB 1.436 50 residues pruned to eliminate duplicates Z: 11 12.161 2.062 0.777 0.480 0.800 0.700 CB 1.339 11 residues pruned to eliminate duplicates Z: 8 9.314 1.808 0.551 0.846 0.857 0.571 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 11.102 1.775 0.476 0.881 1.000 0.571 CA 1.160 8 residues pruned to eliminate duplicates Z: 6 6.616 1.610 0.437 0.749 0.800 0.800 CB 1.280 6 residues pruned to eliminate duplicates Z: 16 28.436 2.020 0.827 0.941 1.000 0.600 CB 1.381 16 residues pruned to eliminate duplicates Z: 10 16.892 1.790 0.829 0.676 1.000 0.778 CA 1.462 14 residues pruned to eliminate duplicates Z: 25 31.133 2.038 0.848 0.711 0.958 0.750 CB 1.455 25 residues pruned to eliminate duplicates Z: 14 12.991 1.958 0.558 0.454 0.769 0.769 CB 1.609 14 residues pruned to eliminate duplicates Z: 14 20.247 1.847 0.749 0.841 1.000 0.692 CB 1.297 14 residues pruned to eliminate duplicates Z: 51 42.951 2.066 0.990 0.667 0.940 0.700 CB 1.347 51 residues pruned to eliminate duplicates Z: 29 25.470 2.077 0.704 0.448 0.893 0.500 CB 1.606 29 residues pruned to eliminate duplicates Z: 17 24.012 1.969 0.659 0.894 0.938 0.625 CB 1.406 17 residues pruned to eliminate duplicates Z: 10 6.239 1.569 0.372 0.719 0.778 0.444 CA 1.019 10 residues pruned to eliminate duplicates Z: 18 34.644 2.119 0.989 0.888 0.941 0.647 CB 1.526 18 residues pruned to eliminate duplicates Z: 17 22.422 1.986 0.548 0.884 1.000 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 11 14.486 2.064 0.421 0.602 0.900 0.600 CA 1.575 11 residues pruned to eliminate duplicates Z: 19 28.325 1.965 0.896 0.837 0.944 0.611 CB 1.419 19 residues pruned to eliminate duplicates Z: 9 9.978 1.655 0.456 0.814 1.000 0.750 CA 1.114 9 residues pruned to eliminate duplicates Z: 23 26.276 2.019 0.691 0.590 1.000 0.909 CB 1.506 23 residues pruned to eliminate duplicates Z: 18 6.813 1.572 0.548 0.297 0.824 0.353 CB 1.035 10 residues pruned to eliminate duplicates Z: 82 41.798 2.078 0.705 0.529 0.951 0.679 CB 1.341 82 residues pruned to eliminate duplicates Z: 32 27.415 2.025 0.739 0.585 0.968 0.710 CB 1.331 32 residues pruned to eliminate duplicates Z: 73 44.871 2.070 0.722 0.592 0.931 0.625 CB 1.460 73 residues pruned to eliminate duplicates Z: 43 24.210 1.964 0.709 0.506 0.905 0.667 CB 1.223 43 residues pruned to eliminate duplicates Z: 8 14.255 1.880 0.710 0.713 1.000 0.571 CA 1.382 8 residues pruned to eliminate duplicates Z: 8 7.582 1.633 0.631 0.544 0.857 0.714 O 1.202 Z: 11 18.708 2.122 0.697 0.531 1.000 0.900 CB 1.593 12 residues pruned to eliminate duplicates Z: 29 27.045 2.109 0.833 0.451 0.964 0.536 CB 1.442 29 residues pruned to eliminate duplicates Z: 38 19.569 1.940 0.772 0.445 0.892 0.541 CB 1.110 37 residues pruned to eliminate duplicates Z: 27 12.437 1.829 0.509 0.351 0.808 0.423 CB 1.285 36 residues pruned to eliminate duplicates Z: 18 19.192 1.928 0.236 0.878 1.000 0.882 CB 1.419 18 residues pruned to eliminate duplicates Z: 34 24.689 2.022 0.701 0.560 0.909 0.606 CB 1.296 34 residues pruned to eliminate duplicates Z: 20 35.455 2.164 1.024 0.697 1.000 0.842 CB 1.551 21 residues pruned to eliminate duplicates Z: 52 36.499 2.042 0.776 0.619 0.922 0.706 CB 1.367 52 residues pruned to eliminate duplicates Z: 59 39.422 2.005 0.702 0.613 0.948 0.759 CB 1.437 59 residues pruned to eliminate duplicates Z: 13 21.871 2.034 0.488 0.935 1.000 0.833 CA 1.454 13 residues pruned to eliminate duplicates Z: 67 40.610 2.067 0.739 0.547 0.955 0.621 CB 1.392 67 residues pruned to eliminate duplicates Z: 13 10.124 1.979 0.662 0.357 0.750 0.500 CB 1.383 13 residues pruned to eliminate duplicates Z: 14 8.919 1.894 0.525 0.348 0.846 0.538 CB 1.194 14 residues pruned to eliminate duplicates Z: 16 36.384 2.152 1.110 0.951 1.000 0.467 CB 1.425 16 residues pruned to eliminate duplicates Z: 10 18.202 1.998 0.665 0.621 1.000 0.778 CB 1.627 11 residues pruned to eliminate duplicates Z: 90 40.549 2.011 0.656 0.571 0.910 0.629 CB 1.324 90 residues pruned to eliminate duplicates Z: 10 8.576 1.514 0.313 0.798 1.000 0.778 CA 1.108 10 residues pruned to eliminate duplicates Z: 46 31.210 2.050 0.720 0.468 0.956 0.578 CB 1.427 46 residues pruned to eliminate duplicates Z: 11 12.376 1.947 1.007 0.529 0.800 0.400 CB 1.216 11 residues pruned to eliminate duplicates Z: 13 11.419 1.957 0.447 0.439 0.833 0.750 CB 1.488 13 residues pruned to eliminate duplicates Z: 9 14.402 2.046 0.738 0.512 0.875 0.750 CB 1.618 8 residues pruned to eliminate duplicates Z: 13 14.777 1.932 0.439 0.548 1.000 1.000 CB 1.464 13 residues pruned to eliminate duplicates Z: 50 41.326 2.079 0.866 0.633 0.939 0.673 CB 1.430 50 residues pruned to eliminate duplicates Z: 21 33.295 2.091 0.887 0.712 1.000 0.700 CB 1.558 21 residues pruned to eliminate duplicates Z: 9 6.856 1.718 0.621 0.541 0.750 0.750 CA 1.115 7 residues pruned to eliminate duplicates Z: 13 27.994 2.132 0.823 0.852 1.000 0.917 CB 1.538 13 residues pruned to eliminate duplicates Z: 20 16.790 1.876 0.672 0.626 0.947 0.684 CB 1.152 20 residues pruned to eliminate duplicates Z: 12 20.442 2.125 0.690 0.731 0.909 0.818 CA 1.534 12 residues pruned to eliminate duplicates Z: 9 13.999 2.015 0.642 0.827 0.875 0.625 CB 1.288 7 residues pruned to eliminate duplicates Z: 11 14.921 1.897 0.746 0.678 1.000 1.000 CB 1.209 11 residues pruned to eliminate duplicates Z: 11 16.744 1.957 0.901 0.587 0.900 0.700 CB 1.455 11 residues pruned to eliminate duplicates Z: 25 25.462 2.026 0.758 0.628 0.917 0.625 CB 1.412 25 residues pruned to eliminate duplicates Z: 6 3.214 1.630 0.186 0.296 0.800 0.800 CB 1.167 6 residues pruned to eliminate duplicates Z: 42 32.637 2.108 0.686 0.466 0.976 0.683 CB 1.522 42 residues pruned to eliminate duplicates Z: 17 6.448 1.818 0.488 0.287 0.938 0.375 CB 0.808 17 residues pruned to eliminate duplicates Z: 8 6.032 1.741 0.323 0.396 0.714 0.571 O 1.546 Z: 7 7.315 1.622 0.222 0.766 1.000 0.833 CB 1.189 7 residues pruned to eliminate duplicates Z: 7 5.283 1.857 -0.001 0.432 1.000 0.667 CA 1.248 7 residues pruned to eliminate duplicates Z: 11 15.343 1.967 0.873 0.521 0.900 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 16 20.025 1.845 0.624 0.736 0.933 0.733 CA 1.495 16 residues pruned to eliminate duplicates Z: 16 22.995 2.045 0.605 0.922 1.000 0.733 CB 1.272 16 residues pruned to eliminate duplicates Z: 60 41.752 2.083 0.819 0.591 0.932 0.576 CB 1.410 60 residues pruned to eliminate duplicates Z: 8 10.013 1.704 0.812 0.812 1.000 0.714 CB 0.935 8 residues pruned to eliminate duplicates Z: 50 41.194 2.085 0.899 0.664 0.939 0.714 CB 1.360 50 residues pruned to eliminate duplicates Z: 12 36.240 2.106 1.305 0.932 1.000 0.818 CB 1.572 12 residues pruned to eliminate duplicates Z: 7 3.452 1.642 0.488 0.389 0.667 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 14 17.218 1.887 0.384 0.925 1.000 0.846 CA 1.284 14 residues pruned to eliminate duplicates Z: 64 29.933 2.008 0.636 0.428 0.873 0.508 CB 1.417 64 residues pruned to eliminate duplicates Z: 22 14.793 1.928 0.453 0.498 0.905 0.762 CB 1.276 30 residues pruned to eliminate duplicates Z: 16 6.062 1.803 0.588 0.235 0.800 0.467 CB 0.929 16 residues pruned to eliminate duplicates Z: 8 15.437 2.080 0.869 0.832 0.857 0.857 CA 1.315 8 residues pruned to eliminate duplicates Z: 14 17.302 2.083 0.527 0.544 0.923 0.615 CB 1.565 14 residues pruned to eliminate duplicates Z: 10 10.071 1.960 0.464 0.511 0.889 0.556 CB 1.302 10 residues pruned to eliminate duplicates Z: 6 3.911 1.467 1.165 0.273 0.800 0.600 CB 0.891 Z: 7 3.804 1.403 0.401 0.704 0.833 0.500 CB 0.787 7 residues pruned to eliminate duplicates Z: 48 32.871 2.079 0.641 0.552 0.979 0.660 CB 1.366 49 residues pruned to eliminate duplicates Z: 16 27.030 2.108 0.515 0.928 1.000 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 8 11.702 1.920 0.769 0.892 1.000 0.857 CB 0.935 8 residues pruned to eliminate duplicates Z: 19 14.930 2.000 0.723 0.407 0.833 0.611 CB 1.350 19 residues pruned to eliminate duplicates Z: 15 12.087 1.751 0.675 0.491 0.857 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 17 21.246 1.927 0.373 0.933 1.000 0.938 CA 1.401 17 residues pruned to eliminate duplicates Z: 29 25.658 2.089 0.813 0.411 0.964 0.500 CB 1.457 29 residues pruned to eliminate duplicates Z: 12 6.044 1.677 0.551 0.267 0.909 0.273 CB 1.006 12 residues pruned to eliminate duplicates Z: 31 22.019 1.960 0.745 0.556 0.867 0.533 CB 1.283 31 residues pruned to eliminate duplicates Z: 36 31.161 2.204 0.717 0.457 0.943 0.543 CB 1.542 36 residues pruned to eliminate duplicates Z: 12 4.680 1.745 -0.043 0.330 0.818 0.455 CB 1.245 Z: 29 18.915 1.921 0.566 0.434 0.893 0.571 CB 1.425 29 residues pruned to eliminate duplicates Z: 14 12.972 1.844 0.830 0.492 0.846 0.462 CA 1.271 14 residues pruned to eliminate duplicates Z: 12 22.604 1.992 0.626 0.898 1.000 0.818 CB 1.506 12 residues pruned to eliminate duplicates Z: 10 7.707 1.626 0.739 0.543 1.000 0.667 CB 0.871 Z: 7 12.647 1.891 0.333 0.748 1.000 0.667 CB 1.641 7 residues pruned to eliminate duplicates Z: 11 6.669 1.478 0.514 0.773 0.800 0.600 CA 0.926 11 residues pruned to eliminate duplicates Z: 14 16.329 1.978 0.580 0.580 1.000 0.692 CB 1.342 14 residues pruned to eliminate duplicates Z: 13 20.193 2.020 0.523 0.918 0.917 0.833 CB 1.457 13 residues pruned to eliminate duplicates Z: 38 32.776 1.984 0.678 0.662 0.946 0.541 CB 1.472 38 residues pruned to eliminate duplicates Z: 17 18.360 1.979 0.246 0.873 1.000 0.938 CB 1.355 17 residues pruned to eliminate duplicates Z: 22 10.446 1.895 0.513 0.323 0.905 0.381 CB 1.067 22 residues pruned to eliminate duplicates Z: 15 10.138 1.862 0.610 0.394 0.786 0.500 CB 1.286 15 residues pruned to eliminate duplicates Z: 10 10.335 1.918 0.603 0.479 0.889 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 7 12.607 1.780 0.583 0.851 1.000 0.667 CA 1.352 7 residues pruned to eliminate duplicates Z: 12 6.932 1.678 -0.166 0.699 0.909 0.636 CB 1.370 Z: 6 7.162 1.593 1.121 0.764 0.800 0.600 CB 0.937 6 residues pruned to eliminate duplicates Z: 12 20.918 2.094 0.667 0.606 1.000 1.000 CA 1.633 13 residues pruned to eliminate duplicates Z: 6 2.600 1.766 0.712 0.367 0.600 0.400 CB 0.739 Z: 15 15.228 1.958 0.902 0.496 0.786 0.643 CB 1.396 15 residues pruned to eliminate duplicates Z: 10 16.330 2.057 0.671 0.571 0.889 0.889 CA 1.663 10 residues pruned to eliminate duplicates Z: 42 22.781 2.031 0.584 0.509 0.854 0.610 CB 1.284 42 residues pruned to eliminate duplicates Z: 34 18.572 1.959 0.520 0.372 0.939 0.394 CB 1.326 34 residues pruned to eliminate duplicates Z: 11 15.852 2.012 0.464 0.651 1.000 1.000 CB 1.478 11 residues pruned to eliminate duplicates Z: 18 27.919 2.058 0.642 0.861 1.000 0.882 CA 1.472 18 residues pruned to eliminate duplicates Z: 8 8.501 1.726 0.221 0.799 1.000 0.714 CB 1.174 8 residues pruned to eliminate duplicates Z: 16 13.951 1.838 0.635 0.545 0.933 0.600 CB 1.229 16 residues pruned to eliminate duplicates Z: 8 15.030 2.009 0.648 0.843 1.000 0.571 CA 1.277 9 residues pruned to eliminate duplicates Z: 25 21.930 1.820 0.514 0.720 0.917 0.625 CB 1.453 25 residues pruned to eliminate duplicates Z: 17 26.619 2.040 0.592 0.940 1.000 0.875 CA 1.424 17 residues pruned to eliminate duplicates Z: 10 18.647 2.014 1.251 0.578 0.889 0.778 CB 1.430 10 residues pruned to eliminate duplicates Z: 8 5.953 1.893 0.070 0.480 1.000 0.571 CB 1.133 4 residues pruned to eliminate duplicates Z: 32 29.371 2.054 0.659 0.604 0.935 0.710 CB 1.499 32 residues pruned to eliminate duplicates Z: 59 42.208 2.065 0.840 0.631 0.897 0.741 CB 1.438 59 residues pruned to eliminate duplicates Z: 46 29.816 2.098 0.667 0.509 0.933 0.600 CB 1.350 46 residues pruned to eliminate duplicates Z: 37 29.205 1.964 0.604 0.652 0.917 0.611 CB 1.463 37 residues pruned to eliminate duplicates Z: 84 35.571 1.965 0.681 0.507 0.916 0.639 CB 1.281 84 residues pruned to eliminate duplicates Z: 7 7.224 1.959 0.240 0.906 1.000 1.000 CB 0.863 7 residues pruned to eliminate duplicates Z: 6 8.717 1.747 0.592 0.893 1.000 1.000 CB 1.006 6 residues pruned to eliminate duplicates Z: 10 12.469 1.931 0.533 0.511 0.889 0.778 CB 1.563 10 residues pruned to eliminate duplicates Z: 13 23.943 1.972 0.728 0.935 1.000 1.000 CB 1.414 13 residues pruned to eliminate duplicates Z: 11 20.352 2.104 0.746 0.597 1.000 0.900 CB 1.596 11 residues pruned to eliminate duplicates Z: 12 21.270 2.133 0.843 0.646 1.000 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 27 21.345 2.136 0.638 0.396 0.885 0.538 CB 1.509 27 residues pruned to eliminate duplicates Z: 35 33.870 2.002 0.895 0.676 0.912 0.559 CB 1.428 35 residues pruned to eliminate duplicates Z: 10 6.106 1.797 0.363 0.405 0.889 0.667 CB 1.033 10 residues pruned to eliminate duplicates Z: 20 14.712 1.803 0.574 0.393 0.895 0.579 CA 1.489 20 residues pruned to eliminate duplicates Z: 6 6.794 2.038 0.556 0.879 1.000 0.600 CB 0.695 6 residues pruned to eliminate duplicates Z: 48 27.126 2.024 0.631 0.471 0.936 0.468 CB 1.319 48 residues pruned to eliminate duplicates Z: 14 16.177 1.988 0.831 0.440 1.000 0.538 CB 1.312 14 residues pruned to eliminate duplicates Z: 7 2.942 1.826 0.067 0.390 0.667 0.333 CB 1.039 7 residues pruned to eliminate duplicates Z: 10 7.262 1.851 0.505 0.439 0.778 0.556 CB 1.190 10 residues pruned to eliminate duplicates Z: 10 8.757 1.942 0.276 0.331 1.000 0.889 CB 1.418 10 residues pruned to eliminate duplicates Z: 23 26.043 2.006 0.778 0.646 0.909 0.818 CA 1.495 23 residues pruned to eliminate duplicates Z: 29 19.161 1.976 0.624 0.517 0.929 0.607 CB 1.195 32 residues pruned to eliminate duplicates Z: 7 12.622 1.646 1.122 0.687 1.000 0.333 N 1.243 7 residues pruned to eliminate duplicates Z: 11 19.463 2.114 1.036 0.507 1.000 0.800 CA 1.421 11 residues pruned to eliminate duplicates Z: 6 8.122 1.669 0.482 0.764 1.000 0.600 CB 1.162 Z: 20 21.937 2.027 0.581 0.600 1.000 0.632 CA 1.427 20 residues pruned to eliminate duplicates Z: 6 6.862 1.901 0.287 0.579 1.000 0.800 CB 1.162 6 residues pruned to eliminate duplicates Z: 17 12.416 1.990 0.735 0.499 0.812 0.562 CB 1.108 13 residues pruned to eliminate duplicates Z: 7 5.735 1.670 0.779 0.328 1.000 0.500 CA 0.951 5 residues pruned to eliminate duplicates Z: 41 29.692 2.052 0.658 0.492 0.950 0.625 CB 1.464 41 residues pruned to eliminate duplicates Z: 10 9.390 1.751 0.711 0.349 1.000 0.556 CA 1.230 10 residues pruned to eliminate duplicates Z: 17 21.725 1.962 0.469 0.923 0.938 0.875 CB 1.413 17 residues pruned to eliminate duplicates Z: 7 5.487 2.045 0.371 0.373 0.833 0.667 CB 1.098 7 residues pruned to eliminate duplicates Z: 24 31.004 2.045 0.817 0.677 0.957 0.826 CB 1.545 23 residues pruned to eliminate duplicates Z: 58 36.863 2.040 0.671 0.570 0.930 0.544 CB 1.440 58 residues pruned to eliminate duplicates Z: 32 35.612 2.080 0.797 0.667 0.968 0.710 CB 1.515 32 residues pruned to eliminate duplicates Z: 11 15.592 2.081 0.550 0.572 1.000 0.900 CB 1.425 11 residues pruned to eliminate duplicates Z: 13 18.096 1.985 0.543 0.787 1.000 0.833 CB 1.324 14 residues pruned to eliminate duplicates Z: 6 3.176 1.560 0.021 0.499 0.800 0.600 C 1.116 Z: 28 33.604 2.094 0.907 0.617 0.963 0.778 CB 1.506 28 residues pruned to eliminate duplicates Z: 18 18.612 1.918 0.779 0.553 0.882 0.588 CB 1.424 18 residues pruned to eliminate duplicates Z: 16 5.893 1.659 0.829 0.340 0.667 0.333 CB 0.895 16 residues pruned to eliminate duplicates Z: 17 7.299 1.658 0.813 0.429 0.750 0.625 CB 0.871 17 residues pruned to eliminate duplicates Z: 21 16.598 1.915 0.563 0.651 0.900 0.600 CB 1.197 21 residues pruned to eliminate duplicates Z: 42 27.231 2.104 0.583 0.527 0.902 0.610 CB 1.378 42 residues pruned to eliminate duplicates Z: 12 9.088 1.810 0.354 0.500 0.909 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 43 18.911 1.981 0.610 0.436 0.833 0.476 CB 1.172 59 residues pruned to eliminate duplicates Z: 13 13.992 1.933 0.848 0.476 1.000 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 11 21.382 2.129 0.477 0.925 1.000 1.000 CB 1.510 11 residues pruned to eliminate duplicates Z: 7 11.858 1.913 0.651 0.869 1.000 0.833 CB 1.120 7 residues pruned to eliminate duplicates Z: 21 34.979 2.140 0.987 0.669 1.000 0.950 CB 1.573 21 residues pruned to eliminate duplicates Z: 6 7.016 1.907 0.545 0.885 1.000 1.000 CB 0.769 6 residues pruned to eliminate duplicates Z: 44 38.632 2.091 0.758 0.685 0.930 0.721 CB 1.454 44 residues pruned to eliminate duplicates Z: 16 10.162 1.732 0.476 0.458 0.867 0.667 CB 1.236 16 residues pruned to eliminate duplicates Z: 7 9.340 1.689 0.557 0.907 1.000 1.000 CB 1.030 7 residues pruned to eliminate duplicates Z: 12 17.339 2.009 0.568 0.607 1.000 0.727 CB 1.500 12 residues pruned to eliminate duplicates Z: 13 21.739 2.059 0.673 0.649 1.000 0.667 CA 1.586 13 residues pruned to eliminate duplicates Z: 8 9.072 1.627 0.571 0.908 1.000 1.000 CB 0.953 8 residues pruned to eliminate duplicates Z: 16 20.031 2.036 0.994 0.488 0.867 0.600 CB 1.488 16 residues pruned to eliminate duplicates Z: 14 15.166 1.920 0.259 0.820 0.923 0.846 CA 1.429 14 residues pruned to eliminate duplicates Z: 9 6.856 1.809 0.938 0.322 0.875 0.625 CB 0.961 9 residues pruned to eliminate duplicates Z: 14 23.771 2.029 0.659 0.847 1.000 0.846 CA 1.455 14 residues pruned to eliminate duplicates Z: 6 5.263 1.670 0.453 0.797 1.000 1.000 CB 0.748 6 residues pruned to eliminate duplicates Z: 51 40.782 2.049 0.872 0.654 0.920 0.640 CB 1.416 51 residues pruned to eliminate duplicates Z: 13 13.636 1.956 0.752 0.479 0.833 0.583 CA 1.409 13 residues pruned to eliminate duplicates Z: 16 7.228 1.769 0.080 0.451 0.800 0.533 CB 1.284 16 residues pruned to eliminate duplicates Z: 10 7.504 1.583 0.471 0.789 0.889 0.667 CB 0.937 10 residues pruned to eliminate duplicates Z: 6 4.912 1.922 0.460 0.406 0.800 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 59 36.559 2.009 0.662 0.601 0.931 0.655 CB 1.402 59 residues pruned to eliminate duplicates Z: 9 7.974 1.645 0.562 0.644 1.000 1.000 CB 0.959 8 residues pruned to eliminate duplicates Z: 9 7.209 1.677 0.317 0.796 0.875 0.750 CA 1.018 9 residues pruned to eliminate duplicates Z: 29 24.849 1.999 0.729 0.582 0.893 0.643 CB 1.406 29 residues pruned to eliminate duplicates Z: 8 7.234 1.814 -0.261 0.848 1.000 0.571 C 1.513 8 residues pruned to eliminate duplicates Z: 7 12.998 2.010 0.484 0.661 1.000 0.500 CB 1.532 7 residues pruned to eliminate duplicates Z: 7 9.033 1.683 0.564 0.878 1.000 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 9 8.360 1.790 0.471 0.525 0.875 0.750 CB 1.252 9 residues pruned to eliminate duplicates Z: 6 6.880 1.424 0.547 0.846 1.000 0.800 CB 1.038 6 residues pruned to eliminate duplicates Z: 6 5.408 1.687 0.148 0.485 1.000 1.000 CB 1.268 6 residues pruned to eliminate duplicates Z: 6 2.307 1.655 -0.294 0.750 1.000 0.600 CB 0.707 Z: 7 6.773 1.559 0.627 0.818 1.000 0.667 CB 0.827 7 residues pruned to eliminate duplicates Z: 7 5.219 1.956 0.055 0.868 1.000 0.667 CB 0.755 7 residues pruned to eliminate duplicates Z: 80 44.429 2.058 0.798 0.541 0.924 0.646 CB 1.404 80 residues pruned to eliminate duplicates Z: 7 8.709 1.679 0.581 0.888 1.000 0.667 CB 0.965 7 residues pruned to eliminate duplicates Z: 7 2.735 1.476 -0.192 0.433 0.833 0.333 N 1.204 Z: 7 6.627 1.919 0.450 0.850 1.000 0.500 CB 0.721 7 residues pruned to eliminate duplicates Z: 7 12.193 1.955 0.576 0.601 1.000 0.667 CB 1.467 7 residues pruned to eliminate duplicates Z: 49 35.656 1.943 0.766 0.580 0.958 0.625 CB 1.449 49 residues pruned to eliminate duplicates Z: 10 3.214 1.516 -0.010 0.406 0.778 0.667 CB 1.013 Z: 19 16.120 1.987 0.480 0.491 0.889 0.611 CB 1.467 19 residues pruned to eliminate duplicates Z: 16 13.210 1.836 0.720 0.466 1.000 0.333 CB 1.118 16 residues pruned to eliminate duplicates Z: 6 2.003 1.530 0.198 0.279 0.600 0.200 O 1.046 6 residues pruned to eliminate duplicates Z: 10 3.870 1.468 0.062 0.385 0.778 0.333 CA 1.202 10 residues pruned to eliminate duplicates Z: 48 26.407 1.822 0.646 0.595 0.936 0.574 CB 1.253 48 residues pruned to eliminate duplicates Z: 10 17.550 2.155 0.743 0.578 0.889 0.889 CB 1.625 11 residues pruned to eliminate duplicates Z: 20 22.355 1.961 0.811 0.652 1.000 0.684 CB 1.254 20 residues pruned to eliminate duplicates Z: 17 19.308 1.923 0.374 0.935 0.938 0.938 CA 1.358 17 residues pruned to eliminate duplicates Z: 11 13.161 1.968 0.508 0.616 1.000 0.400 CB 1.257 Z: 13 12.217 1.785 0.573 0.544 0.833 0.500 CA 1.444 13 residues pruned to eliminate duplicates Z: 46 33.397 2.070 0.756 0.488 0.933 0.667 CB 1.485 46 residues pruned to eliminate duplicates Z: 8 10.782 1.916 0.717 0.898 1.000 0.857 CB 0.886 8 residues pruned to eliminate duplicates Z: 36 18.928 1.981 0.521 0.381 0.914 0.514 CB 1.318 36 residues pruned to eliminate duplicates Z: 15 6.163 1.711 0.254 0.486 0.786 0.571 CB 0.991 15 residues pruned to eliminate duplicates Z: 33 35.568 2.126 0.814 0.634 0.969 0.875 CB 1.484 33 residues pruned to eliminate duplicates Z: 15 11.189 1.939 0.376 0.412 0.857 0.429 CA 1.434 15 residues pruned to eliminate duplicates 355 residues left after pruning, divided into chains as follows: A: 207 B: 97 C: 22 D: 21 E: 8 CC for partial structure against native data = 41.32 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.406, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.562, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.565, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.570, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.572, Connect. = 0.794 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.795 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1837 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 440 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 34 25.936 2.089 0.592 0.568 0.939 0.667 CB 1.352 B: 92 56.305 2.220 0.678 0.576 0.945 0.659 CB 1.558 13 residues pruned to eliminate duplicates C: 48 29.748 2.151 0.508 0.487 0.979 0.574 CB 1.385 D: 128 58.442 2.200 0.645 0.524 0.937 0.583 CB 1.493 115 residues pruned to eliminate duplicates E: 21 18.134 2.002 0.575 0.564 0.800 0.600 CB 1.512 F: 12 18.035 2.153 0.074 0.944 1.000 1.000 CB 1.628 12 residues pruned to eliminate duplicates G: 98 53.307 2.188 0.637 0.578 0.928 0.649 CB 1.511 98 residues pruned to eliminate duplicates H: 13 21.174 2.119 0.639 0.870 0.833 0.583 CB 1.541 21 residues pruned to eliminate duplicates I: 10 18.138 2.126 0.869 0.590 0.889 0.889 CB 1.571 J: 40 35.207 2.102 0.635 0.590 0.974 0.821 CB 1.544 24 residues pruned to eliminate duplicates K: 45 29.757 2.102 0.542 0.509 0.955 0.750 CB 1.437 45 residues pruned to eliminate duplicates L: 13 19.555 2.114 0.319 0.906 0.917 0.750 CA 1.571 13 residues pruned to eliminate duplicates M: 14 12.520 1.965 0.314 0.492 0.846 0.615 CB 1.602 N: 60 43.229 2.232 0.696 0.527 0.966 0.678 CB 1.498 59 residues pruned to eliminate duplicates O: 13 28.780 2.150 0.703 0.925 1.000 0.917 CB 1.592 P: 106 61.008 2.206 0.760 0.574 0.943 0.686 CB 1.514 106 residues pruned to eliminate duplicates Q: 12 13.556 2.135 0.711 0.439 0.818 0.545 CB 1.456 12 residues pruned to eliminate duplicates R: 10 13.641 2.073 0.696 0.590 0.778 0.667 CB 1.525 10 residues pruned to eliminate duplicates S: 17 27.330 2.257 0.405 0.935 0.938 0.875 CA 1.602 T: 17 27.531 2.235 0.386 0.931 1.000 0.875 CA 1.553 17 residues pruned to eliminate duplicates U: 14 11.988 1.911 0.699 0.437 0.846 0.692 CB 1.292 14 residues pruned to eliminate duplicates V: 16 36.560 2.249 0.895 0.881 0.933 0.667 CA 1.719 15 residues pruned to eliminate duplicates W: 51 45.840 2.171 0.840 0.652 0.920 0.640 CB 1.531 51 residues pruned to eliminate duplicates X: 18 31.736 2.177 0.613 0.925 0.941 0.647 CA 1.635 18 residues pruned to eliminate duplicates Y: 11 12.753 2.001 0.810 0.407 0.800 0.700 CA 1.533 11 residues pruned to eliminate duplicates Z: 20 23.225 2.114 0.542 0.544 1.000 0.789 CB 1.566 20 residues pruned to eliminate duplicates Z: 14 17.850 1.995 0.312 0.864 0.923 0.923 CA 1.502 14 residues pruned to eliminate duplicates Z: 21 16.614 1.987 0.486 0.656 1.000 0.700 CB 1.088 21 residues pruned to eliminate duplicates Z: 70 43.390 2.189 0.739 0.524 0.928 0.652 CB 1.445 72 residues pruned to eliminate duplicates Z: 38 32.072 2.248 0.656 0.436 0.973 0.595 CB 1.556 39 residues pruned to eliminate duplicates Z: 95 51.066 2.181 0.654 0.541 0.936 0.628 CB 1.498 95 residues pruned to eliminate duplicates Z: 59 40.997 2.225 0.714 0.525 0.931 0.655 CB 1.478 59 residues pruned to eliminate duplicates Z: 13 31.372 2.139 0.885 0.938 1.000 0.833 CB 1.562 13 residues pruned to eliminate duplicates Z: 103 48.712 2.158 0.568 0.545 0.902 0.657 CB 1.512 103 residues pruned to eliminate duplicates Z: 10 15.514 1.997 0.993 0.440 0.889 0.556 CB 1.555 10 residues pruned to eliminate duplicates Z: 17 34.751 2.233 0.736 0.926 0.938 0.750 CA 1.676 17 residues pruned to eliminate duplicates Z: 21 14.381 2.089 0.408 0.379 0.900 0.400 CB 1.382 20 residues pruned to eliminate duplicates Z: 9 17.494 2.274 0.761 0.540 0.875 0.875 CB 1.698 9 residues pruned to eliminate duplicates Z: 9 18.051 2.108 0.727 0.808 1.000 0.500 CA 1.340 Z: 18 25.425 2.186 0.294 0.894 1.000 0.765 CA 1.564 18 residues pruned to eliminate duplicates Z: 17 38.099 2.232 0.945 0.868 0.938 0.500 CA 1.710 17 residues pruned to eliminate duplicates Z: 59 34.647 2.116 0.670 0.509 0.914 0.672 CB 1.396 48 residues pruned to eliminate duplicates Z: 79 32.780 2.090 0.331 0.507 0.897 0.526 CB 1.476 48 residues pruned to eliminate duplicates Z: 16 39.834 2.318 0.871 0.946 0.933 0.667 CA 1.757 16 residues pruned to eliminate duplicates Z: 39 33.021 2.275 0.672 0.479 0.895 0.579 CB 1.608 39 residues pruned to eliminate duplicates Z: 12 25.898 2.179 0.723 0.781 1.000 0.818 CB 1.624 20 residues pruned to eliminate duplicates Z: 22 14.383 2.031 0.503 0.434 0.857 0.714 CB 1.285 17 residues pruned to eliminate duplicates Z: 50 44.804 2.187 0.842 0.655 0.918 0.694 CB 1.497 50 residues pruned to eliminate duplicates Z: 11 11.082 1.809 0.363 0.551 0.900 0.800 CA 1.502 13 residues pruned to eliminate duplicates Z: 13 23.901 2.132 0.430 0.911 1.000 0.917 CB 1.605 13 residues pruned to eliminate duplicates Z: 57 47.206 2.190 0.746 0.628 0.946 0.518 CB 1.545 57 residues pruned to eliminate duplicates Z: 13 26.723 2.105 0.738 0.876 1.000 0.750 CB 1.533 13 residues pruned to eliminate duplicates Z: 17 42.928 2.220 0.984 0.940 1.000 0.750 CA 1.693 17 residues pruned to eliminate duplicates Z: 12 20.212 2.107 0.269 0.932 1.000 1.000 CB 1.592 12 residues pruned to eliminate duplicates Z: 18 29.368 2.141 0.684 0.833 0.941 0.588 CA 1.575 18 residues pruned to eliminate duplicates Z: 125 60.574 2.209 0.701 0.541 0.919 0.589 CB 1.513 125 residues pruned to eliminate duplicates Z: 9 14.905 2.150 0.723 0.786 0.875 0.750 CA 1.264 9 residues pruned to eliminate duplicates Z: 109 61.173 2.206 0.779 0.578 0.935 0.648 CB 1.488 109 residues pruned to eliminate duplicates Z: 22 16.719 1.958 0.440 0.629 0.952 0.619 CB 1.203 13 residues pruned to eliminate duplicates Z: 30 15.217 1.999 0.290 0.544 0.897 0.448 CB 1.171 30 residues pruned to eliminate duplicates Z: 58 47.684 2.185 0.764 0.649 0.947 0.614 CB 1.505 58 residues pruned to eliminate duplicates Z: 17 27.565 2.019 0.821 0.915 1.000 0.688 CB 1.324 17 residues pruned to eliminate duplicates Z: 41 29.991 2.194 0.611 0.407 0.950 0.500 CB 1.556 41 residues pruned to eliminate duplicates Z: 6 9.319 1.716 0.521 0.786 1.000 1.000 CB 1.242 6 residues pruned to eliminate duplicates Z: 14 19.658 1.986 0.495 0.883 0.923 0.769 CA 1.438 14 residues pruned to eliminate duplicates Z: 13 27.701 2.119 0.711 0.879 1.000 0.833 CB 1.600 13 residues pruned to eliminate duplicates Z: 12 16.695 2.122 0.479 0.539 0.909 0.818 CB 1.699 12 residues pruned to eliminate duplicates Z: 133 56.039 2.185 0.625 0.526 0.894 0.629 CB 1.498 133 residues pruned to eliminate duplicates Z: 13 8.060 1.910 0.490 0.214 0.833 0.583 CB 1.375 Z: 10 15.242 2.216 0.609 0.474 0.889 0.778 CB 1.645 11 residues pruned to eliminate duplicates Z: 32 26.971 2.083 0.739 0.561 0.871 0.742 CB 1.447 32 residues pruned to eliminate duplicates Z: 10 5.880 1.774 0.213 0.409 0.889 0.444 CB 1.126 10 residues pruned to eliminate duplicates Z: 12 18.050 2.122 0.540 0.659 0.909 0.636 CB 1.581 5 residues pruned to eliminate duplicates Z: 59 48.593 2.213 0.749 0.643 0.931 0.655 CB 1.549 59 residues pruned to eliminate duplicates Z: 14 23.176 2.051 0.687 0.873 0.923 0.615 CB 1.466 14 residues pruned to eliminate duplicates Z: 51 44.405 2.161 0.745 0.660 0.940 0.560 CB 1.527 51 residues pruned to eliminate duplicates Z: 16 35.093 2.154 0.835 0.951 1.000 0.600 CB 1.580 16 residues pruned to eliminate duplicates Z: 25 16.205 2.097 0.598 0.435 0.792 0.625 CB 1.333 25 residues pruned to eliminate duplicates Z: 9 11.378 1.892 0.612 0.566 0.875 0.500 CA 1.414 9 residues pruned to eliminate duplicates Z: 12 14.037 2.073 0.504 0.542 0.909 0.818 CB 1.433 12 residues pruned to eliminate duplicates Z: 8 17.455 2.265 0.889 0.582 0.857 0.714 CB 1.663 8 residues pruned to eliminate duplicates Z: 16 30.889 2.144 0.663 0.924 1.000 0.733 CB 1.571 16 residues pruned to eliminate duplicates Z: 98 52.576 2.193 0.665 0.554 0.928 0.649 CB 1.495 98 residues pruned to eliminate duplicates Z: 14 14.338 2.013 0.435 0.606 0.923 0.462 CB 1.349 14 residues pruned to eliminate duplicates Z: 17 32.922 2.053 0.849 0.896 1.000 0.438 CA 1.553 17 residues pruned to eliminate duplicates Z: 83 45.599 2.192 0.673 0.527 0.890 0.512 CB 1.501 83 residues pruned to eliminate duplicates Z: 67 46.603 2.161 0.673 0.607 0.939 0.591 CB 1.526 67 residues pruned to eliminate duplicates Z: 17 33.357 2.080 0.953 0.885 1.000 0.688 CB 1.482 17 residues pruned to eliminate duplicates Z: 54 42.320 2.108 0.803 0.626 0.925 0.679 CB 1.469 54 residues pruned to eliminate duplicates Z: 49 29.570 2.137 0.507 0.495 0.938 0.583 CB 1.421 49 residues pruned to eliminate duplicates Z: 16 27.936 2.086 0.559 0.938 1.000 1.000 CB 1.543 16 residues pruned to eliminate duplicates Z: 26 13.783 2.048 0.285 0.533 0.880 0.520 CB 1.152 12 residues pruned to eliminate duplicates Z: 18 33.964 2.190 1.001 0.901 0.824 0.529 CA 1.630 18 residues pruned to eliminate duplicates Z: 13 21.059 2.094 0.337 0.933 1.000 0.917 CB 1.516 13 residues pruned to eliminate duplicates Z: 8 2.294 1.797 0.268 0.104 0.571 0.143 CB 1.103 Z: 30 20.488 2.047 0.474 0.563 0.897 0.655 CB 1.324 30 residues pruned to eliminate duplicates Z: 16 39.235 2.212 0.932 0.941 1.000 0.800 CA 1.645 16 residues pruned to eliminate duplicates Z: 34 31.279 2.157 0.683 0.599 0.939 0.697 CB 1.453 34 residues pruned to eliminate duplicates Z: 17 29.698 2.231 0.621 0.890 0.875 0.812 CA 1.688 17 residues pruned to eliminate duplicates Z: 14 12.112 1.683 0.909 0.603 1.000 0.769 CB 0.948 Z: 10 6.609 1.791 0.458 0.403 0.667 0.444 CB 1.401 10 residues pruned to eliminate duplicates Z: 12 7.974 1.739 0.364 0.531 0.818 0.545 CA 1.201 23 residues pruned to eliminate duplicates Z: 57 50.191 2.175 0.804 0.656 0.946 0.625 CB 1.562 57 residues pruned to eliminate duplicates Z: 47 32.182 2.134 0.641 0.510 0.935 0.674 CB 1.435 47 residues pruned to eliminate duplicates Z: 19 21.663 2.075 0.389 0.841 0.889 0.833 CA 1.487 19 residues pruned to eliminate duplicates Z: 11 10.557 2.030 0.650 0.478 0.800 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 48 31.115 2.151 0.587 0.492 0.915 0.532 CB 1.464 48 residues pruned to eliminate duplicates Z: 113 54.974 2.181 0.636 0.578 0.911 0.688 CB 1.484 113 residues pruned to eliminate duplicates Z: 9 15.627 2.137 0.861 0.805 0.875 0.750 CA 1.216 9 residues pruned to eliminate duplicates Z: 49 49.856 2.199 0.911 0.681 0.938 0.646 CB 1.546 49 residues pruned to eliminate duplicates Z: 44 26.739 2.135 0.558 0.426 0.907 0.535 CB 1.459 44 residues pruned to eliminate duplicates Z: 8 9.926 2.043 0.320 0.784 1.000 0.571 CA 1.083 8 residues pruned to eliminate duplicates Z: 6 7.512 1.872 0.195 0.710 1.000 0.600 C 1.242 6 residues pruned to eliminate duplicates Z: 6 11.146 1.923 0.277 0.748 1.000 1.000 CB 1.626 6 residues pruned to eliminate duplicates Z: 7 14.755 2.087 0.521 0.853 1.000 0.833 CA 1.403 7 residues pruned to eliminate duplicates Z: 16 32.757 2.152 0.737 0.957 1.000 0.800 CB 1.554 16 residues pruned to eliminate duplicates Z: 34 39.863 2.168 0.918 0.600 0.970 0.758 CB 1.565 25 residues pruned to eliminate duplicates Z: 30 23.049 2.174 0.573 0.430 0.862 0.586 CB 1.561 30 residues pruned to eliminate duplicates Z: 19 26.861 2.127 0.664 0.605 1.000 0.667 CB 1.619 19 residues pruned to eliminate duplicates Z: 25 15.514 2.059 0.482 0.380 0.875 0.375 CB 1.348 25 residues pruned to eliminate duplicates Z: 11 23.399 2.253 0.310 0.935 1.000 1.000 CA 1.747 11 residues pruned to eliminate duplicates Z: 58 29.883 2.179 0.486 0.456 0.842 0.544 CB 1.519 58 residues pruned to eliminate duplicates Z: 31 32.641 2.162 0.780 0.559 0.967 0.767 CB 1.513 31 residues pruned to eliminate duplicates Z: 16 24.742 2.135 0.336 0.936 1.000 0.867 CB 1.560 16 residues pruned to eliminate duplicates Z: 24 15.844 1.978 0.551 0.449 0.870 0.565 CB 1.305 24 residues pruned to eliminate duplicates Z: 8 5.952 1.848 -0.109 0.548 0.857 0.429 CB 1.521 Z: 42 25.560 2.142 0.525 0.445 0.902 0.512 CB 1.433 42 residues pruned to eliminate duplicates Z: 7 7.514 2.048 -0.103 0.876 1.000 1.000 CB 1.214 7 residues pruned to eliminate duplicates Z: 8 7.475 1.879 0.172 0.798 1.000 0.857 CB 0.988 10 residues pruned to eliminate duplicates Z: 126 56.330 2.188 0.669 0.521 0.904 0.616 CB 1.495 126 residues pruned to eliminate duplicates Z: 16 25.255 2.103 0.362 0.934 1.000 0.867 CB 1.588 16 residues pruned to eliminate duplicates Z: 43 29.361 2.170 0.623 0.450 0.881 0.524 CB 1.538 43 residues pruned to eliminate duplicates Z: 13 32.902 2.138 0.940 0.933 1.000 0.833 CB 1.598 13 residues pruned to eliminate duplicates Z: 28 16.420 1.829 0.410 0.520 0.926 0.556 CB 1.298 28 residues pruned to eliminate duplicates Z: 33 27.145 2.130 0.546 0.600 0.938 0.625 CB 1.413 33 residues pruned to eliminate duplicates Z: 16 35.829 2.181 0.911 0.942 1.000 0.667 CB 1.539 16 residues pruned to eliminate duplicates Z: 52 38.916 2.221 0.720 0.519 0.980 0.627 CB 1.429 52 residues pruned to eliminate duplicates Z: 13 31.204 2.151 0.838 0.925 1.000 1.000 CA 1.599 13 residues pruned to eliminate duplicates Z: 21 14.804 1.985 0.353 0.673 0.950 0.600 CB 1.106 21 residues pruned to eliminate duplicates Z: 11 17.573 2.080 0.869 0.541 0.900 0.700 CB 1.525 10 residues pruned to eliminate duplicates Z: 13 25.241 2.104 0.662 0.895 1.000 0.750 CB 1.493 13 residues pruned to eliminate duplicates Z: 13 28.917 2.126 0.698 0.925 1.000 0.750 CB 1.623 13 residues pruned to eliminate duplicates Z: 8 11.007 2.038 0.340 0.822 1.000 0.714 CB 1.152 8 residues pruned to eliminate duplicates Z: 9 12.370 2.079 0.409 0.812 0.875 0.625 CA 1.300 9 residues pruned to eliminate duplicates Z: 48 22.496 1.984 0.533 0.451 0.915 0.553 CB 1.240 48 residues pruned to eliminate duplicates Z: 13 14.409 1.993 0.719 0.497 0.917 0.833 CB 1.329 13 residues pruned to eliminate duplicates Z: 12 16.555 2.150 0.708 0.568 0.909 0.909 CB 1.400 12 residues pruned to eliminate duplicates Z: 23 29.082 2.128 0.687 0.586 1.000 0.818 CA 1.590 23 residues pruned to eliminate duplicates Z: 24 21.252 2.122 0.604 0.434 0.913 0.565 CB 1.526 24 residues pruned to eliminate duplicates Z: 12 18.524 2.157 0.068 0.936 1.000 1.000 CB 1.689 12 residues pruned to eliminate duplicates Z: 113 61.585 2.204 0.756 0.573 0.920 0.580 CB 1.524 113 residues pruned to eliminate duplicates Z: 8 14.352 2.041 0.617 0.871 1.000 0.571 CB 1.199 8 residues pruned to eliminate duplicates Z: 11 16.476 1.886 0.610 0.775 1.000 0.800 CB 1.346 11 residues pruned to eliminate duplicates Z: 9 7.718 1.953 -0.261 0.768 0.875 0.500 C 1.703 Z: 6 11.733 2.002 0.391 0.691 1.000 1.000 CB 1.581 Z: 14 24.450 1.988 0.627 0.906 1.000 0.769 CA 1.491 14 residues pruned to eliminate duplicates Z: 7 4.621 1.505 0.016 0.768 1.000 1.000 CB 0.973 7 residues pruned to eliminate duplicates Z: 81 44.723 2.122 0.708 0.528 0.938 0.625 CB 1.432 81 residues pruned to eliminate duplicates Z: 11 5.989 1.711 -0.112 0.568 0.900 0.300 C 1.296 11 residues pruned to eliminate duplicates Z: 13 26.305 2.148 0.588 0.917 1.000 1.000 CA 1.571 13 residues pruned to eliminate duplicates Z: 11 18.122 2.150 0.596 0.667 1.000 0.900 CA 1.431 11 residues pruned to eliminate duplicates Z: 61 35.230 2.178 0.474 0.538 0.850 0.517 CB 1.605 61 residues pruned to eliminate duplicates Z: 107 60.450 2.207 0.777 0.573 0.925 0.651 CB 1.510 107 residues pruned to eliminate duplicates Z: 11 19.050 2.086 0.614 0.661 1.000 0.900 CB 1.541 11 residues pruned to eliminate duplicates Z: 21 17.891 1.939 0.545 0.517 0.800 0.550 N 1.641 21 residues pruned to eliminate duplicates Z: 32 27.466 2.108 0.716 0.519 0.871 0.548 CB 1.537 32 residues pruned to eliminate duplicates Z: 19 19.436 2.110 0.460 0.362 1.000 0.444 CA 1.725 19 residues pruned to eliminate duplicates Z: 13 16.202 1.982 0.575 0.628 0.917 0.583 CB 1.449 13 residues pruned to eliminate duplicates Z: 8 11.460 2.017 0.490 0.918 1.000 1.000 CB 1.017 8 residues pruned to eliminate duplicates Z: 21 16.345 1.938 0.500 0.639 0.950 0.500 CB 1.162 21 residues pruned to eliminate duplicates Z: 17 12.608 1.953 0.533 0.413 0.812 0.688 CA 1.420 17 residues pruned to eliminate duplicates Z: 8 5.652 1.757 0.406 0.295 0.857 0.429 CA 1.269 Z: 10 16.834 2.058 0.885 0.692 1.000 0.889 CB 1.214 10 residues pruned to eliminate duplicates Z: 78 44.249 2.139 0.775 0.512 0.896 0.558 CB 1.465 78 residues pruned to eliminate duplicates Z: 11 12.030 1.876 0.576 0.687 0.800 0.700 CB 1.356 17 residues pruned to eliminate duplicates Z: 7 7.585 1.881 0.377 0.835 1.000 0.500 CB 0.895 7 residues pruned to eliminate duplicates Z: 9 7.183 1.799 0.450 0.473 0.875 0.500 CB 1.143 9 residues pruned to eliminate duplicates Z: 17 12.847 2.100 0.680 0.308 0.812 0.500 CB 1.386 17 residues pruned to eliminate duplicates Z: 22 36.054 2.200 0.846 0.700 0.952 0.857 CA 1.694 22 residues pruned to eliminate duplicates Z: 16 17.446 2.212 0.889 0.422 0.867 0.600 CB 1.350 16 residues pruned to eliminate duplicates Z: 7 7.014 1.845 0.509 0.655 0.833 0.500 CB 1.068 7 residues pruned to eliminate duplicates Z: 17 39.449 2.204 1.010 0.913 0.938 0.688 CA 1.681 17 residues pruned to eliminate duplicates Z: 13 7.536 1.904 0.254 0.477 0.833 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 49 47.175 2.195 0.829 0.671 0.938 0.792 CB 1.545 49 residues pruned to eliminate duplicates Z: 57 48.124 2.238 0.624 0.572 0.982 0.607 CB 1.681 76 residues pruned to eliminate duplicates Z: 6 5.679 2.132 0.208 0.871 1.000 0.400 CB 0.719 6 residues pruned to eliminate duplicates Z: 15 24.760 2.248 0.225 0.938 1.000 1.000 CA 1.671 15 residues pruned to eliminate duplicates Z: 106 55.782 2.191 0.732 0.573 0.905 0.638 CB 1.477 106 residues pruned to eliminate duplicates Z: 15 10.634 2.048 0.458 0.298 0.857 0.357 CB 1.391 15 residues pruned to eliminate duplicates Z: 12 18.560 2.137 0.675 0.655 0.909 0.727 CB 1.488 12 residues pruned to eliminate duplicates Z: 26 17.797 2.088 0.575 0.365 0.920 0.440 CB 1.360 26 residues pruned to eliminate duplicates Z: 14 14.545 2.092 0.561 0.527 0.846 0.538 CB 1.421 14 residues pruned to eliminate duplicates Z: 10 19.859 2.240 0.517 0.682 1.000 0.778 CB 1.648 10 residues pruned to eliminate duplicates Z: 33 37.747 2.218 0.682 0.613 1.000 0.906 CB 1.607 33 residues pruned to eliminate duplicates Z: 23 24.570 2.192 0.630 0.466 0.955 0.545 CB 1.590 23 residues pruned to eliminate duplicates Z: 23 32.264 2.108 0.964 0.621 0.955 0.818 CB 1.552 23 residues pruned to eliminate duplicates Z: 13 21.016 2.072 0.446 0.890 1.000 0.583 CB 1.457 13 residues pruned to eliminate duplicates Z: 7 7.858 2.013 0.097 0.838 1.000 0.833 CB 1.086 7 residues pruned to eliminate duplicates Z: 9 4.868 1.875 -0.070 0.825 0.875 0.750 CB 0.852 9 residues pruned to eliminate duplicates Z: 24 16.446 1.876 0.354 0.588 0.913 0.565 CB 1.358 24 residues pruned to eliminate duplicates Z: 22 29.158 2.114 0.693 0.646 1.000 0.905 CB 1.551 22 residues pruned to eliminate duplicates Z: 16 23.430 1.985 0.748 0.845 0.933 0.267 CB 1.390 16 residues pruned to eliminate duplicates Z: 46 30.736 2.187 0.631 0.510 0.867 0.644 CB 1.468 46 residues pruned to eliminate duplicates Z: 14 23.062 2.105 0.528 0.740 1.000 0.846 CB 1.604 14 residues pruned to eliminate duplicates Z: 14 13.681 1.930 0.154 0.655 1.000 0.692 CB 1.475 14 residues pruned to eliminate duplicates Z: 79 41.967 2.154 0.479 0.550 0.936 0.603 CB 1.518 59 residues pruned to eliminate duplicates Z: 6 7.161 2.027 0.085 0.830 1.000 0.800 CB 1.095 6 residues pruned to eliminate duplicates Z: 33 32.077 2.239 0.737 0.450 0.969 0.562 CB 1.584 33 residues pruned to eliminate duplicates Z: 24 13.527 1.756 0.665 0.438 0.826 0.435 CB 1.245 21 residues pruned to eliminate duplicates Z: 12 14.798 1.817 0.720 0.732 1.000 0.545 CB 1.158 12 residues pruned to eliminate duplicates Z: 12 12.427 1.964 0.532 0.554 0.909 0.545 CB 1.300 10 residues pruned to eliminate duplicates Z: 6 3.696 1.750 0.090 0.456 0.800 0.600 CB 1.134 Z: 81 37.841 2.089 0.608 0.447 0.850 0.575 CB 1.564 81 residues pruned to eliminate duplicates Z: 48 31.413 2.130 0.587 0.503 0.936 0.596 CB 1.444 47 residues pruned to eliminate duplicates Z: 40 35.721 2.215 0.761 0.496 0.974 0.538 CB 1.512 47 residues pruned to eliminate duplicates Z: 25 11.696 1.955 0.467 0.394 0.833 0.458 CB 1.117 25 residues pruned to eliminate duplicates Z: 12 14.612 1.973 0.647 0.570 0.909 0.818 CB 1.394 12 residues pruned to eliminate duplicates Z: 16 23.282 2.088 0.285 0.934 1.000 1.000 CA 1.562 16 residues pruned to eliminate duplicates Z: 33 40.877 2.215 0.839 0.624 1.000 0.750 CB 1.579 33 residues pruned to eliminate duplicates Z: 8 9.438 1.910 -0.215 0.843 1.000 0.714 O 1.772 9 residues pruned to eliminate duplicates Z: 9 6.543 1.885 0.242 0.363 0.875 0.750 CB 1.308 9 residues pruned to eliminate duplicates Z: 9 8.407 1.726 0.279 0.780 1.000 0.625 CA 1.052 9 residues pruned to eliminate duplicates Z: 6 5.503 1.986 0.026 0.785 1.000 0.600 CB 0.940 6 residues pruned to eliminate duplicates Z: 28 26.442 2.229 0.641 0.451 0.926 0.556 CB 1.581 28 residues pruned to eliminate duplicates Z: 22 21.604 2.017 0.767 0.595 0.905 0.714 CB 1.336 23 residues pruned to eliminate duplicates Z: 22 17.687 1.916 0.546 0.651 0.952 0.667 CB 1.188 15 residues pruned to eliminate duplicates Z: 51 40.454 2.142 0.690 0.650 0.920 0.760 CB 1.494 51 residues pruned to eliminate duplicates Z: 17 24.291 2.231 0.271 0.875 1.000 0.938 CA 1.557 17 residues pruned to eliminate duplicates Z: 15 14.966 1.977 0.655 0.619 0.786 0.643 CB 1.391 15 residues pruned to eliminate duplicates Z: 60 38.993 2.205 0.802 0.518 0.915 0.610 CB 1.371 60 residues pruned to eliminate duplicates Z: 35 27.290 2.098 0.602 0.575 0.941 0.706 CB 1.375 35 residues pruned to eliminate duplicates Z: 17 27.499 2.041 0.552 0.902 1.000 0.625 CA 1.548 17 residues pruned to eliminate duplicates Z: 107 58.426 2.199 0.702 0.569 0.943 0.689 CB 1.504 107 residues pruned to eliminate duplicates Z: 7 6.378 2.018 0.076 0.865 1.000 0.500 CB 0.879 7 residues pruned to eliminate duplicates Z: 13 13.128 1.910 0.376 0.604 1.000 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 50 31.787 2.117 0.496 0.520 0.959 0.571 CB 1.464 50 residues pruned to eliminate duplicates Z: 9 5.051 1.657 0.450 0.364 0.625 0.500 CB 1.377 Z: 37 30.324 2.066 0.502 0.600 0.944 0.583 CA 1.568 37 residues pruned to eliminate duplicates Z: 8 9.172 2.008 0.482 0.854 0.857 0.857 CB 1.004 8 residues pruned to eliminate duplicates Z: 7 7.173 1.749 0.270 0.561 1.000 0.833 CA 1.243 7 residues pruned to eliminate duplicates Z: 44 33.985 2.155 0.596 0.567 0.930 0.767 CB 1.518 44 residues pruned to eliminate duplicates Z: 36 31.883 2.071 0.635 0.611 0.943 0.771 CB 1.519 36 residues pruned to eliminate duplicates Z: 15 16.382 1.775 0.931 0.547 0.929 0.500 CA 1.314 24 residues pruned to eliminate duplicates Z: 17 22.343 1.993 0.394 0.923 0.938 0.688 CA 1.506 17 residues pruned to eliminate duplicates Z: 7 5.267 1.909 -0.155 0.716 0.833 0.833 CB 1.315 Z: 38 22.798 2.054 0.587 0.446 0.892 0.595 CB 1.364 37 residues pruned to eliminate duplicates Z: 23 31.418 2.166 0.729 0.653 0.955 0.955 CB 1.625 23 residues pruned to eliminate duplicates Z: 29 19.787 2.035 0.600 0.486 0.929 0.679 CB 1.254 29 residues pruned to eliminate duplicates Z: 34 37.684 2.205 0.721 0.649 0.970 0.818 CB 1.551 35 residues pruned to eliminate duplicates Z: 35 26.591 2.052 0.582 0.541 0.912 0.735 CB 1.480 35 residues pruned to eliminate duplicates Z: 8 6.387 1.989 -0.184 0.602 0.857 0.286 C 1.574 7 residues pruned to eliminate duplicates Z: 35 25.876 2.089 0.384 0.588 0.882 0.676 CA 1.599 35 residues pruned to eliminate duplicates Z: 11 18.225 2.145 0.367 0.646 1.000 0.700 CA 1.714 11 residues pruned to eliminate duplicates Z: 11 19.438 2.131 0.660 0.693 1.000 0.600 CA 1.457 11 residues pruned to eliminate duplicates Z: 105 57.687 2.207 0.692 0.585 0.923 0.712 CB 1.512 105 residues pruned to eliminate duplicates Z: 10 6.183 1.893 0.547 0.239 0.778 0.556 CB 1.223 10 residues pruned to eliminate duplicates Z: 40 33.810 2.036 0.690 0.621 0.923 0.641 CB 1.521 40 residues pruned to eliminate duplicates Z: 10 22.039 2.060 0.906 0.703 1.000 0.889 CA 1.555 10 residues pruned to eliminate duplicates Z: 104 57.071 2.214 0.737 0.573 0.922 0.738 CB 1.478 104 residues pruned to eliminate duplicates Z: 13 7.661 1.880 0.328 0.484 0.833 0.833 CB 1.081 13 residues pruned to eliminate duplicates Z: 59 44.506 2.170 0.730 0.553 0.983 0.707 CB 1.504 59 residues pruned to eliminate duplicates Z: 8 11.184 2.129 0.245 0.831 0.857 0.429 CB 1.397 8 residues pruned to eliminate duplicates Z: 105 50.472 2.176 0.630 0.540 0.913 0.702 CB 1.470 105 residues pruned to eliminate duplicates Z: 69 39.176 2.165 0.455 0.555 0.912 0.632 CB 1.569 69 residues pruned to eliminate duplicates Z: 47 23.844 2.002 0.292 0.580 0.913 0.630 CB 1.379 47 residues pruned to eliminate duplicates Z: 7 4.559 1.953 -0.362 0.648 1.000 0.833 CB 1.300 7 residues pruned to eliminate duplicates Z: 36 23.334 1.975 0.509 0.561 0.857 0.429 CB 1.455 36 residues pruned to eliminate duplicates Z: 12 19.959 2.283 0.911 0.340 1.000 0.727 CB 1.642 12 residues pruned to eliminate duplicates Z: 7 9.913 2.023 0.494 0.440 1.000 0.500 CB 1.424 7 residues pruned to eliminate duplicates Z: 9 5.810 1.784 -0.145 0.737 1.000 0.875 CB 1.090 9 residues pruned to eliminate duplicates Z: 23 12.421 2.004 0.466 0.354 0.818 0.455 CB 1.291 30 residues pruned to eliminate duplicates Z: 14 11.116 1.840 0.629 0.462 0.923 0.692 CB 1.159 14 residues pruned to eliminate duplicates Z: 17 15.427 2.067 0.374 0.491 0.938 0.500 CB 1.462 17 residues pruned to eliminate duplicates Z: 82 54.201 2.241 0.595 0.584 0.963 0.728 CB 1.615 82 residues pruned to eliminate duplicates Z: 7 9.574 1.897 0.367 0.738 0.833 0.833 CA 1.461 7 residues pruned to eliminate duplicates Z: 39 39.980 2.184 0.863 0.611 0.947 0.658 CB 1.515 39 residues pruned to eliminate duplicates Z: 16 11.337 1.948 0.227 0.561 0.867 0.733 CB 1.332 16 residues pruned to eliminate duplicates Z: 43 29.625 2.060 0.388 0.575 0.929 0.595 CB 1.602 43 residues pruned to eliminate duplicates Z: 34 18.098 1.935 0.453 0.512 0.879 0.576 CB 1.260 37 residues pruned to eliminate duplicates Z: 26 29.137 2.287 0.625 0.450 0.960 0.440 CB 1.718 26 residues pruned to eliminate duplicates Z: 6 9.589 2.101 0.482 0.862 1.000 0.400 CB 1.011 6 residues pruned to eliminate duplicates Z: 54 35.451 2.184 0.607 0.521 0.887 0.698 CB 1.532 54 residues pruned to eliminate duplicates Z: 14 7.772 1.727 0.486 0.410 0.846 0.692 CB 1.090 14 residues pruned to eliminate duplicates Z: 12 7.487 1.648 0.652 0.461 0.818 0.545 CB 1.054 Z: 21 11.357 1.911 0.369 0.317 0.900 0.450 CB 1.321 21 residues pruned to eliminate duplicates Z: 6 3.206 1.900 -0.086 0.539 0.600 0.600 CA 1.325 6 residues pruned to eliminate duplicates Z: 10 6.743 1.923 0.522 0.320 0.889 0.444 CB 1.054 10 residues pruned to eliminate duplicates Z: 73 48.713 2.193 0.715 0.544 0.958 0.667 CB 1.527 73 residues pruned to eliminate duplicates Z: 13 14.948 2.036 0.451 0.540 0.917 0.750 CB 1.533 13 residues pruned to eliminate duplicates Z: 43 36.263 2.213 0.709 0.497 0.929 0.595 CB 1.598 43 residues pruned to eliminate duplicates Z: 31 20.442 2.105 0.454 0.487 0.900 0.700 CB 1.372 31 residues pruned to eliminate duplicates Z: 6 11.914 1.725 1.125 0.746 1.000 0.800 CA 1.166 6 residues pruned to eliminate duplicates Z: 9 10.517 1.830 1.073 0.537 1.000 0.625 N 0.945 Z: 8 12.427 1.701 0.728 0.709 1.000 0.714 CA 1.322 8 residues pruned to eliminate duplicates Z: 11 6.085 1.792 -0.082 0.658 0.900 0.500 CB 1.122 Z: 6 6.587 1.811 0.549 0.504 0.800 0.600 N 1.308 6 residues pruned to eliminate duplicates Z: 35 31.659 2.104 0.609 0.555 0.941 0.794 CB 1.616 35 residues pruned to eliminate duplicates Z: 6 8.187 2.159 0.421 0.868 1.000 0.600 CB 0.873 6 residues pruned to eliminate duplicates Z: 7 6.849 1.846 0.704 0.412 0.833 0.167 CB 1.169 7 residues pruned to eliminate duplicates Z: 24 26.340 2.213 0.708 0.501 0.957 0.565 CB 1.518 24 residues pruned to eliminate duplicates Z: 17 15.806 1.976 0.343 0.600 0.938 0.500 CB 1.444 17 residues pruned to eliminate duplicates Z: 28 33.179 2.169 0.857 0.665 0.926 0.778 CB 1.470 28 residues pruned to eliminate duplicates Z: 6 5.820 1.886 -0.156 0.823 1.000 1.000 CB 1.235 Z: 16 14.887 1.878 0.769 0.568 0.867 0.533 CB 1.249 16 residues pruned to eliminate duplicates Z: 11 9.775 1.892 0.735 0.338 0.900 0.600 CB 1.248 11 residues pruned to eliminate duplicates Z: 8 15.815 2.067 0.811 0.719 0.857 0.714 CA 1.528 8 residues pruned to eliminate duplicates Z: 16 16.957 2.026 0.654 0.530 0.867 0.600 CA 1.463 16 residues pruned to eliminate duplicates Z: 14 16.772 1.957 0.294 0.873 0.923 0.923 CA 1.450 14 residues pruned to eliminate duplicates Z: 23 31.407 2.070 0.911 0.681 0.955 0.864 CB 1.501 23 residues pruned to eliminate duplicates Z: 7 13.488 1.919 0.713 0.847 1.000 0.667 CB 1.244 7 residues pruned to eliminate duplicates Z: 7 5.011 1.535 0.302 0.396 1.000 0.667 CA 1.142 7 residues pruned to eliminate duplicates Z: 10 13.430 2.055 0.225 0.706 1.000 0.889 CB 1.474 10 residues pruned to eliminate duplicates Z: 14 12.205 2.044 0.771 0.311 0.923 0.538 CB 1.250 14 residues pruned to eliminate duplicates Z: 7 8.181 1.725 0.612 0.866 1.000 0.667 CB 0.879 7 residues pruned to eliminate duplicates Z: 15 10.809 2.048 0.606 0.301 0.857 0.429 CB 1.280 15 residues pruned to eliminate duplicates Z: 12 14.410 1.806 0.638 0.619 0.909 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 7 2.624 1.901 -0.524 0.680 0.833 0.667 CB 1.205 7 residues pruned to eliminate duplicates Z: 29 31.649 2.006 0.914 0.706 0.964 0.464 CB 1.341 29 residues pruned to eliminate duplicates Z: 57 37.886 2.197 0.642 0.503 0.929 0.661 CB 1.507 57 residues pruned to eliminate duplicates Z: 57 32.541 2.061 0.609 0.527 0.911 0.589 CB 1.402 58 residues pruned to eliminate duplicates Z: 7 8.009 1.739 0.631 0.537 1.000 0.667 CA 1.112 6 residues pruned to eliminate duplicates Z: 14 17.205 1.934 0.470 0.819 0.923 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 8 7.206 1.820 0.706 0.854 1.000 0.714 CB 0.648 8 residues pruned to eliminate duplicates Z: 21 10.119 1.930 0.447 0.419 0.800 0.550 CB 1.102 21 residues pruned to eliminate duplicates Z: 7 11.382 2.052 0.328 0.879 0.833 0.667 CB 1.484 7 residues pruned to eliminate duplicates Z: 14 9.129 1.819 0.547 0.438 0.846 0.615 CB 1.134 14 residues pruned to eliminate duplicates Z: 91 47.547 2.093 0.632 0.566 0.933 0.556 CB 1.475 101 residues pruned to eliminate duplicates Z: 8 11.480 2.041 0.493 0.620 1.000 0.857 CA 1.272 8 residues pruned to eliminate duplicates Z: 20 23.825 2.007 0.835 0.542 0.947 0.684 CB 1.503 20 residues pruned to eliminate duplicates Z: 29 31.623 2.205 0.777 0.572 0.893 0.643 CB 1.593 29 residues pruned to eliminate duplicates Z: 32 32.916 2.159 0.632 0.575 0.968 0.774 CB 1.613 32 residues pruned to eliminate duplicates Z: 35 27.044 2.135 0.670 0.512 0.941 0.588 CB 1.366 35 residues pruned to eliminate duplicates Z: 11 5.658 1.578 0.321 0.524 1.000 0.500 CB 0.838 11 residues pruned to eliminate duplicates Z: 9 15.165 1.939 0.834 0.636 0.875 0.750 CB 1.516 9 residues pruned to eliminate duplicates Z: 7 9.496 1.771 0.528 0.906 1.000 0.833 CB 1.019 7 residues pruned to eliminate duplicates Z: 7 4.239 1.751 -0.244 0.666 1.000 0.667 CB 1.120 3 residues pruned to eliminate duplicates Z: 6 5.655 1.734 0.258 0.878 1.000 0.800 CB 0.841 6 residues pruned to eliminate duplicates Z: 8 9.906 1.743 0.673 0.896 1.000 0.857 CB 0.920 8 residues pruned to eliminate duplicates Z: 9 10.309 1.944 0.521 0.584 0.875 0.750 CB 1.299 9 residues pruned to eliminate duplicates Z: 6 3.616 1.521 0.167 0.262 1.000 0.200 C 1.195 Z: 7 5.463 1.712 0.748 0.345 1.000 0.333 CA 0.883 7 residues pruned to eliminate duplicates Z: 18 20.716 2.115 0.793 0.417 0.882 0.588 CB 1.636 18 residues pruned to eliminate duplicates Z: 34 24.737 2.115 0.506 0.553 0.879 0.515 CB 1.460 34 residues pruned to eliminate duplicates Z: 12 13.161 1.969 0.605 0.638 0.818 0.545 CA 1.350 12 residues pruned to eliminate duplicates Z: 7 6.983 1.948 0.066 0.592 1.000 0.833 CB 1.257 8 residues pruned to eliminate duplicates Z: 9 11.556 1.797 0.248 0.811 1.000 0.750 CA 1.390 9 residues pruned to eliminate duplicates Z: 7 6.668 1.375 0.461 0.828 1.000 0.667 CB 1.020 7 residues pruned to eliminate duplicates Z: 12 8.907 1.767 0.664 0.500 0.818 0.636 N 1.117 11 residues pruned to eliminate duplicates Z: 17 28.671 2.001 0.826 0.928 0.938 0.438 CB 1.466 17 residues pruned to eliminate duplicates Z: 35 20.233 1.980 0.643 0.466 0.853 0.676 CB 1.295 35 residues pruned to eliminate duplicates Z: 45 41.030 2.185 0.728 0.665 0.909 0.705 CB 1.546 45 residues pruned to eliminate duplicates Z: 10 17.821 2.102 0.693 0.749 0.889 0.778 CB 1.503 11 residues pruned to eliminate duplicates Z: 56 42.695 2.166 0.734 0.538 0.945 0.691 CB 1.561 56 residues pruned to eliminate duplicates Z: 58 43.232 2.165 0.669 0.625 0.930 0.649 CB 1.515 58 residues pruned to eliminate duplicates Z: 53 40.259 2.159 0.688 0.640 0.923 0.481 CB 1.456 53 residues pruned to eliminate duplicates Z: 63 39.948 2.115 0.703 0.594 0.935 0.629 CB 1.377 73 residues pruned to eliminate duplicates Z: 49 48.785 2.193 0.945 0.681 0.938 0.646 CB 1.491 49 residues pruned to eliminate duplicates Z: 25 17.743 1.874 0.673 0.523 0.917 0.583 CB 1.232 25 residues pruned to eliminate duplicates Z: 9 4.317 1.137 0.265 0.732 1.000 0.500 CA 0.862 Z: 9 8.776 1.580 0.509 0.890 1.000 0.750 CB 0.936 9 residues pruned to eliminate duplicates Z: 9 8.226 1.792 0.092 0.788 0.875 0.750 CA 1.320 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 23.366 2.151 0.390 0.908 1.000 0.917 CB 1.602 13 residues pruned to eliminate duplicates Z: 35 43.083 2.163 0.946 0.613 1.000 0.676 CB 1.577 35 residues pruned to eliminate duplicates Z: 21 39.934 2.275 1.054 0.673 1.000 0.800 CB 1.630 22 residues pruned to eliminate duplicates Z: 14 23.559 2.001 0.710 0.893 0.923 0.923 CA 1.485 13 residues pruned to eliminate duplicates Z: 13 28.707 2.127 0.849 0.887 1.000 1.000 CB 1.519 13 residues pruned to eliminate duplicates Z: 23 32.540 2.174 0.775 0.652 0.955 0.773 CB 1.635 23 residues pruned to eliminate duplicates Z: 23 37.086 2.143 1.052 0.622 1.000 0.773 CA 1.602 23 residues pruned to eliminate duplicates Z: 34 40.186 2.202 0.816 0.622 1.000 0.667 CB 1.560 34 residues pruned to eliminate duplicates Z: 22 40.407 2.230 1.168 0.651 1.000 0.857 CB 1.584 22 residues pruned to eliminate duplicates Z: 34 39.213 2.168 0.972 0.576 0.970 0.848 CB 1.530 34 residues pruned to eliminate duplicates Z: 36 36.930 2.113 0.813 0.590 1.000 0.800 CB 1.494 36 residues pruned to eliminate duplicates Z: 22 38.775 2.192 1.059 0.698 0.952 0.857 CB 1.643 22 residues pruned to eliminate duplicates Z: 37 36.008 2.131 0.755 0.582 0.972 0.750 CB 1.525 37 residues pruned to eliminate duplicates Z: 34 39.084 2.181 0.733 0.612 0.970 0.818 CB 1.669 34 residues pruned to eliminate duplicates Z: 22 34.357 2.247 0.721 0.653 1.000 0.810 CA 1.681 22 residues pruned to eliminate duplicates Z: 23 35.294 2.167 0.920 0.624 1.000 0.727 CB 1.608 23 residues pruned to eliminate duplicates Z: 34 36.850 2.202 0.628 0.625 1.000 0.879 CB 1.590 34 residues pruned to eliminate duplicates Z: 22 36.264 2.246 0.772 0.656 1.000 0.905 CB 1.719 22 residues pruned to eliminate duplicates Z: 33 33.382 2.192 0.673 0.587 0.938 0.719 CB 1.579 34 residues pruned to eliminate duplicates Z: 6 4.286 1.918 0.292 0.321 0.800 0.800 CB 1.177 6 residues pruned to eliminate duplicates Z: 13 16.500 2.117 0.647 0.461 0.917 0.833 CB 1.550 13 residues pruned to eliminate duplicates Z: 34 35.633 2.212 0.671 0.578 0.970 0.788 CB 1.606 34 residues pruned to eliminate duplicates Z: 11 17.656 2.240 0.543 0.478 1.000 1.000 CB 1.652 11 residues pruned to eliminate duplicates Z: 10 16.313 2.256 0.550 0.452 1.000 0.778 CB 1.633 10 residues pruned to eliminate duplicates Z: 70 43.091 2.218 0.690 0.489 0.913 0.652 CB 1.533 70 residues pruned to eliminate duplicates Z: 127 53.766 2.132 0.696 0.493 0.905 0.643 CB 1.475 127 residues pruned to eliminate duplicates Z: 89 48.352 2.164 0.742 0.559 0.898 0.602 CB 1.439 89 residues pruned to eliminate duplicates Z: 34 27.242 2.103 0.586 0.573 0.909 0.606 CB 1.457 34 residues pruned to eliminate duplicates Z: 104 59.302 2.207 0.711 0.569 0.932 0.689 CB 1.552 104 residues pruned to eliminate duplicates Z: 22 17.770 2.042 0.617 0.552 0.857 0.667 CB 1.302 22 residues pruned to eliminate duplicates Z: 105 61.258 2.214 0.768 0.592 0.923 0.692 CB 1.522 105 residues pruned to eliminate duplicates Z: 104 57.990 2.219 0.689 0.585 0.932 0.767 CB 1.507 104 residues pruned to eliminate duplicates Z: 47 32.587 2.105 0.676 0.563 0.891 0.761 CB 1.437 47 residues pruned to eliminate duplicates Z: 72 44.211 2.206 0.696 0.504 0.930 0.690 CB 1.502 72 residues pruned to eliminate duplicates Z: 34 29.136 2.137 0.579 0.592 0.909 0.727 CB 1.514 34 residues pruned to eliminate duplicates Z: 31 28.480 2.127 0.738 0.590 0.900 0.633 CB 1.434 31 residues pruned to eliminate duplicates Z: 35 27.870 2.124 0.689 0.543 0.882 0.647 CB 1.448 35 residues pruned to eliminate duplicates Z: 31 26.650 2.046 0.806 0.588 0.933 0.600 CB 1.297 31 residues pruned to eliminate duplicates Z: 105 55.845 2.214 0.689 0.565 0.894 0.654 CB 1.537 105 residues pruned to eliminate duplicates Z: 67 41.504 2.187 0.627 0.552 0.909 0.742 CB 1.500 67 residues pruned to eliminate duplicates Z: 87 46.740 2.114 0.770 0.514 0.942 0.640 CB 1.411 87 residues pruned to eliminate duplicates Z: 47 29.356 2.131 0.589 0.512 0.891 0.696 CB 1.417 47 residues pruned to eliminate duplicates Z: 105 60.147 2.224 0.710 0.575 0.942 0.683 CB 1.532 105 residues pruned to eliminate duplicates Z: 55 35.615 2.171 0.621 0.549 0.926 0.704 CB 1.418 55 residues pruned to eliminate duplicates Z: 81 48.586 2.200 0.767 0.540 0.913 0.663 CB 1.473 81 residues pruned to eliminate duplicates Z: 35 28.955 2.154 0.626 0.572 0.912 0.647 CB 1.450 35 residues pruned to eliminate duplicates Z: 104 51.735 2.181 0.604 0.558 0.942 0.718 CB 1.462 104 residues pruned to eliminate duplicates Z: 50 33.627 2.188 0.623 0.499 0.898 0.612 CB 1.508 50 residues pruned to eliminate duplicates Z: 39 40.916 2.244 0.817 0.510 0.947 0.684 CB 1.702 39 residues pruned to eliminate duplicates Z: 32 28.307 2.208 0.719 0.424 0.871 0.548 CB 1.665 41 residues pruned to eliminate duplicates Z: 22 19.653 1.947 0.665 0.603 1.000 0.667 CB 1.199 22 residues pruned to eliminate duplicates Z: 122 61.678 2.175 0.690 0.549 0.934 0.686 CB 1.556 122 residues pruned to eliminate duplicates Z: 57 40.483 2.239 0.698 0.523 0.929 0.607 CB 1.498 57 residues pruned to eliminate duplicates Z: 53 37.197 2.228 0.624 0.520 0.923 0.673 CB 1.515 53 residues pruned to eliminate duplicates Z: 97 52.935 2.202 0.603 0.560 0.938 0.677 CB 1.541 97 residues pruned to eliminate duplicates Z: 73 39.478 2.224 0.620 0.481 0.889 0.681 CB 1.481 73 residues pruned to eliminate duplicates Z: 52 34.249 2.169 0.626 0.507 0.922 0.647 CB 1.466 52 residues pruned to eliminate duplicates Z: 82 48.727 2.196 0.766 0.541 0.889 0.654 CB 1.509 82 residues pruned to eliminate duplicates Z: 81 50.387 2.223 0.805 0.548 0.900 0.700 CB 1.489 81 residues pruned to eliminate duplicates Z: 80 51.243 2.219 0.751 0.544 0.949 0.633 CB 1.498 80 residues pruned to eliminate duplicates Z: 105 55.269 2.216 0.644 0.559 0.933 0.692 CB 1.506 105 residues pruned to eliminate duplicates Z: 38 38.346 2.305 0.825 0.501 0.892 0.622 CB 1.679 38 residues pruned to eliminate duplicates Z: 114 55.842 2.171 0.696 0.531 0.929 0.637 CB 1.489 114 residues pruned to eliminate duplicates Z: 109 56.540 2.199 0.681 0.546 0.926 0.648 CB 1.519 109 residues pruned to eliminate duplicates Z: 106 55.369 2.191 0.671 0.545 0.933 0.629 CB 1.514 106 residues pruned to eliminate duplicates Z: 83 46.804 2.174 0.717 0.542 0.927 0.585 CB 1.434 83 residues pruned to eliminate duplicates Z: 121 52.300 2.172 0.663 0.509 0.883 0.692 CB 1.483 121 residues pruned to eliminate duplicates Z: 90 45.953 2.179 0.629 0.498 0.910 0.618 CB 1.510 90 residues pruned to eliminate duplicates Z: 106 55.184 2.209 0.640 0.572 0.933 0.743 CB 1.486 106 residues pruned to eliminate duplicates Z: 106 51.982 2.174 0.642 0.532 0.924 0.648 CB 1.491 106 residues pruned to eliminate duplicates Z: 58 43.140 2.243 0.791 0.528 0.912 0.632 CB 1.516 58 residues pruned to eliminate duplicates Z: 80 46.942 2.179 0.650 0.546 0.937 0.595 CB 1.500 80 residues pruned to eliminate duplicates Z: 104 58.482 2.231 0.697 0.554 0.951 0.621 CB 1.518 104 residues pruned to eliminate duplicates Z: 61 38.672 2.219 0.652 0.472 0.917 0.583 CB 1.528 61 residues pruned to eliminate duplicates Z: 58 39.545 2.231 0.751 0.492 0.912 0.579 CB 1.481 58 residues pruned to eliminate duplicates Z: 114 57.064 2.187 0.659 0.565 0.920 0.673 CB 1.509 114 residues pruned to eliminate duplicates Z: 105 56.681 2.189 0.687 0.553 0.952 0.663 CB 1.501 105 residues pruned to eliminate duplicates Z: 113 52.295 2.185 0.581 0.543 0.929 0.652 CB 1.477 113 residues pruned to eliminate duplicates Z: 105 53.808 2.199 0.716 0.547 0.904 0.644 CB 1.477 105 residues pruned to eliminate duplicates Z: 62 37.122 2.166 0.662 0.497 0.918 0.607 CB 1.442 62 residues pruned to eliminate duplicates Z: 106 55.936 2.210 0.715 0.527 0.905 0.562 CB 1.550 106 residues pruned to eliminate duplicates Z: 125 58.928 2.194 0.660 0.548 0.919 0.637 CB 1.509 125 residues pruned to eliminate duplicates Z: 24 33.252 2.164 0.659 0.732 1.000 0.783 CB 1.567 24 residues pruned to eliminate duplicates Z: 58 42.349 2.129 0.678 0.634 0.912 0.754 CB 1.518 58 residues pruned to eliminate duplicates Z: 53 44.520 2.126 0.796 0.632 0.942 0.692 CB 1.515 53 residues pruned to eliminate duplicates Z: 50 42.929 2.201 0.632 0.656 0.959 0.653 CB 1.540 50 residues pruned to eliminate duplicates Z: 51 41.404 2.173 0.691 0.654 0.900 0.700 CB 1.534 51 residues pruned to eliminate duplicates Z: 57 35.043 2.106 0.572 0.580 0.893 0.607 CB 1.467 57 residues pruned to eliminate duplicates Z: 96 58.051 2.217 0.695 0.591 0.968 0.705 CB 1.500 96 residues pruned to eliminate duplicates Z: 106 57.951 2.207 0.707 0.573 0.924 0.714 CB 1.514 106 residues pruned to eliminate duplicates Z: 51 43.299 2.180 0.771 0.640 0.920 0.700 CB 1.512 51 residues pruned to eliminate duplicates Z: 126 61.285 2.182 0.745 0.554 0.928 0.648 CB 1.472 126 residues pruned to eliminate duplicates Z: 106 58.205 2.194 0.707 0.590 0.933 0.619 CB 1.490 106 residues pruned to eliminate duplicates Z: 53 44.883 2.159 0.812 0.630 0.923 0.654 CB 1.526 53 residues pruned to eliminate duplicates Z: 27 34.996 2.177 0.902 0.652 0.962 0.692 CB 1.496 27 residues pruned to eliminate duplicates Z: 50 49.251 2.195 0.922 0.658 0.959 0.735 CB 1.502 50 residues pruned to eliminate duplicates Z: 82 44.910 2.156 0.699 0.524 0.889 0.531 CB 1.496 82 residues pruned to eliminate duplicates Z: 51 47.948 2.184 0.883 0.653 0.940 0.660 CB 1.521 51 residues pruned to eliminate duplicates Z: 51 43.959 2.174 0.880 0.605 0.880 0.580 CB 1.564 51 residues pruned to eliminate duplicates Z: 108 55.061 2.197 0.705 0.559 0.907 0.626 CB 1.480 108 residues pruned to eliminate duplicates Z: 58 45.600 2.151 0.831 0.633 0.895 0.684 CB 1.513 58 residues pruned to eliminate duplicates Z: 80 43.361 2.130 0.728 0.514 0.911 0.532 CB 1.434 80 residues pruned to eliminate duplicates Z: 105 63.345 2.223 0.792 0.584 0.942 0.596 CB 1.526 105 residues pruned to eliminate duplicates Z: 59 44.375 2.137 0.800 0.610 0.931 0.603 CB 1.467 59 residues pruned to eliminate duplicates Z: 60 44.087 2.124 0.821 0.606 0.898 0.576 CB 1.493 60 residues pruned to eliminate duplicates Z: 52 46.438 2.156 0.839 0.645 0.941 0.569 CB 1.521 52 residues pruned to eliminate duplicates Z: 102 52.441 2.190 0.760 0.521 0.891 0.604 CB 1.489 102 residues pruned to eliminate duplicates Z: 57 44.625 2.184 0.776 0.650 0.893 0.679 CB 1.497 57 residues pruned to eliminate duplicates Z: 105 63.232 2.223 0.786 0.594 0.962 0.644 CB 1.484 105 residues pruned to eliminate duplicates Z: 35 26.977 2.093 0.597 0.566 0.941 0.618 CB 1.380 35 residues pruned to eliminate duplicates Z: 51 40.646 2.186 0.724 0.635 0.900 0.620 CB 1.492 51 residues pruned to eliminate duplicates Z: 50 48.633 2.208 0.907 0.647 0.939 0.694 CB 1.533 50 residues pruned to eliminate duplicates Z: 58 44.043 2.112 0.803 0.605 0.912 0.649 CB 1.520 58 residues pruned to eliminate duplicates Z: 32 29.435 2.173 0.789 0.519 0.839 0.677 CB 1.591 32 residues pruned to eliminate duplicates Z: 51 35.278 2.091 0.714 0.536 0.900 0.540 CB 1.494 51 residues pruned to eliminate duplicates Z: 57 44.716 2.114 0.857 0.611 0.893 0.589 CB 1.535 57 residues pruned to eliminate duplicates Z: 50 45.799 2.187 0.820 0.654 0.959 0.673 CB 1.486 50 residues pruned to eliminate duplicates Z: 49 48.545 2.221 0.867 0.663 0.958 0.604 CB 1.516 49 residues pruned to eliminate duplicates Z: 52 43.743 2.181 0.789 0.634 0.922 0.725 CB 1.503 52 residues pruned to eliminate duplicates Z: 50 47.770 2.190 0.852 0.675 0.939 0.612 CB 1.526 50 residues pruned to eliminate duplicates Z: 77 49.186 2.185 0.699 0.570 0.947 0.605 CB 1.500 77 residues pruned to eliminate duplicates Z: 105 59.467 2.211 0.719 0.579 0.942 0.625 CB 1.509 105 residues pruned to eliminate duplicates Z: 51 40.706 2.140 0.725 0.613 0.940 0.620 CB 1.491 51 residues pruned to eliminate duplicates Z: 55 42.742 2.174 0.813 0.576 0.926 0.685 CB 1.482 55 residues pruned to eliminate duplicates Z: 150 63.792 2.195 0.697 0.502 0.933 0.604 CB 1.500 150 residues pruned to eliminate duplicates Z: 59 42.377 2.193 0.653 0.612 0.897 0.603 CB 1.539 59 residues pruned to eliminate duplicates Z: 80 47.934 2.188 0.671 0.536 0.937 0.506 CB 1.521 80 residues pruned to eliminate duplicates Z: 36 30.520 2.230 0.573 0.507 0.914 0.629 CB 1.597 36 residues pruned to eliminate duplicates Z: 81 48.517 2.209 0.648 0.545 0.950 0.500 CB 1.502 81 residues pruned to eliminate duplicates Z: 73 43.668 2.151 0.694 0.533 0.917 0.569 CB 1.491 73 residues pruned to eliminate duplicates Z: 71 50.022 2.215 0.687 0.582 0.957 0.629 CB 1.546 71 residues pruned to eliminate duplicates Z: 78 43.125 2.163 0.687 0.518 0.883 0.481 CB 1.498 78 residues pruned to eliminate duplicates Z: 59 50.028 2.195 0.753 0.641 0.966 0.586 CB 1.549 59 residues pruned to eliminate duplicates Z: 146 74.722 2.228 0.758 0.571 0.945 0.662 CB 1.566 146 residues pruned to eliminate duplicates Z: 57 51.442 2.228 0.744 0.654 0.964 0.607 CB 1.590 57 residues pruned to eliminate duplicates Z: 11 14.222 2.208 0.301 0.538 0.900 0.300 CA 1.676 11 residues pruned to eliminate duplicates Z: 40 26.585 2.192 0.498 0.431 0.923 0.487 CB 1.509 40 residues pruned to eliminate duplicates Z: 26 17.863 2.054 0.515 0.435 0.880 0.600 CB 1.395 26 residues pruned to eliminate duplicates Z: 26 11.648 2.059 0.432 0.301 0.760 0.320 CB 1.297 26 residues pruned to eliminate duplicates Z: 29 12.503 2.034 0.390 0.310 0.821 0.429 CB 1.255 29 residues pruned to eliminate duplicates Z: 22 15.587 2.084 0.588 0.284 0.905 0.333 CB 1.450 22 residues pruned to eliminate duplicates Z: 22 11.213 2.052 0.416 0.283 0.810 0.286 CB 1.329 22 residues pruned to eliminate duplicates Z: 23 16.639 2.060 0.556 0.409 0.909 0.318 CB 1.339 23 residues pruned to eliminate duplicates Z: 41 22.821 2.119 0.846 0.345 0.800 0.475 CB 1.364 41 residues pruned to eliminate duplicates Z: 25 19.202 2.147 0.587 0.393 0.917 0.500 CB 1.405 25 residues pruned to eliminate duplicates Z: 24 16.262 2.118 0.490 0.348 0.957 0.391 CB 1.324 24 residues pruned to eliminate duplicates Z: 9 9.882 2.210 0.848 0.207 0.875 0.375 CB 1.384 9 residues pruned to eliminate duplicates Z: 84 46.127 2.133 0.764 0.541 0.892 0.578 CB 1.450 84 residues pruned to eliminate duplicates Z: 56 31.662 2.167 0.638 0.384 0.909 0.527 CB 1.496 56 residues pruned to eliminate duplicates Z: 26 17.068 2.139 0.646 0.394 0.800 0.480 CB 1.356 26 residues pruned to eliminate duplicates Z: 16 11.793 2.139 0.685 0.309 0.867 0.467 CB 1.205 16 residues pruned to eliminate duplicates Z: 26 16.061 2.113 0.548 0.343 0.880 0.480 CB 1.323 26 residues pruned to eliminate duplicates Z: 83 45.746 2.155 0.692 0.535 0.951 0.598 CB 1.408 83 residues pruned to eliminate duplicates Z: 24 16.023 2.089 0.686 0.395 0.870 0.478 CB 1.219 24 residues pruned to eliminate duplicates Z: 26 17.401 2.110 0.683 0.369 0.880 0.480 CB 1.282 26 residues pruned to eliminate duplicates Z: 24 10.920 2.065 0.497 0.292 0.783 0.478 CB 1.188 24 residues pruned to eliminate duplicates Z: 19 15.133 2.069 0.553 0.487 0.944 0.667 CB 1.190 19 residues pruned to eliminate duplicates Z: 26 19.564 2.129 0.628 0.456 0.920 0.520 CB 1.284 26 residues pruned to eliminate duplicates Z: 41 22.435 2.067 0.519 0.448 0.875 0.575 CB 1.363 41 residues pruned to eliminate duplicates Z: 26 18.391 2.113 0.742 0.437 0.840 0.520 CB 1.270 26 residues pruned to eliminate duplicates Z: 28 21.498 2.153 0.614 0.447 0.889 0.519 CB 1.414 28 residues pruned to eliminate duplicates Z: 9 5.546 1.489 0.635 0.430 0.875 0.250 CA 0.989 9 residues pruned to eliminate duplicates Z: 34 16.579 1.989 0.450 0.438 0.848 0.455 CB 1.258 34 residues pruned to eliminate duplicates Z: 13 16.574 2.089 0.561 0.576 0.917 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 10 20.133 2.206 0.664 0.767 1.000 0.667 CA 1.443 10 residues pruned to eliminate duplicates Z: 15 16.551 2.127 0.538 0.545 0.929 0.357 CA 1.394 15 residues pruned to eliminate duplicates Z: 17 16.376 2.019 0.490 0.504 0.938 0.500 CA 1.446 17 residues pruned to eliminate duplicates Z: 10 20.185 2.230 0.669 0.631 1.000 0.556 CA 1.598 10 residues pruned to eliminate duplicates Z: 12 18.531 2.184 0.760 0.607 0.909 0.818 CB 1.445 12 residues pruned to eliminate duplicates Z: 16 15.720 2.054 0.630 0.491 0.867 0.600 CB 1.412 16 residues pruned to eliminate duplicates Z: 21 16.836 2.089 0.451 0.544 0.950 0.700 CB 1.252 21 residues pruned to eliminate duplicates Z: 17 15.759 2.019 0.598 0.484 0.875 0.625 CB 1.418 17 residues pruned to eliminate duplicates Z: 14 8.984 2.003 0.394 0.516 0.923 0.615 CB 0.952 14 residues pruned to eliminate duplicates Z: 16 10.256 1.948 0.366 0.463 0.867 0.467 CB 1.193 16 residues pruned to eliminate duplicates Z: 18 11.360 1.970 0.279 0.457 1.000 0.471 CB 1.143 18 residues pruned to eliminate duplicates Z: 33 16.032 1.998 0.443 0.428 0.875 0.406 CB 1.211 33 residues pruned to eliminate duplicates Z: 17 9.938 1.990 0.363 0.454 0.812 0.438 CB 1.181 17 residues pruned to eliminate duplicates Z: 15 9.576 1.971 0.428 0.447 0.857 0.357 CB 1.120 15 residues pruned to eliminate duplicates Z: 12 5.860 1.940 0.212 0.549 0.818 0.545 CB 0.876 12 residues pruned to eliminate duplicates Z: 28 16.359 2.008 0.409 0.472 0.963 0.519 CB 1.188 28 residues pruned to eliminate duplicates Z: 18 11.083 1.961 0.393 0.447 0.882 0.529 CB 1.178 18 residues pruned to eliminate duplicates Z: 15 10.912 2.048 0.437 0.452 0.786 0.571 CB 1.324 15 residues pruned to eliminate duplicates Z: 17 12.889 1.986 0.375 0.447 1.000 0.438 CB 1.246 17 residues pruned to eliminate duplicates Z: 6 4.118 1.344 0.992 0.289 1.000 0.000 N 0.872 6 residues pruned to eliminate duplicates Z: 9 10.809 1.643 0.574 0.847 1.000 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 49 32.317 2.130 0.528 0.544 0.979 0.583 CB 1.402 49 residues pruned to eliminate duplicates Z: 21 19.155 2.036 0.521 0.689 0.950 0.800 CB 1.224 22 residues pruned to eliminate duplicates Z: 8 6.895 1.713 0.489 0.829 0.857 0.857 CB 0.897 8 residues pruned to eliminate duplicates Z: 40 34.926 2.193 0.720 0.548 0.974 0.641 CB 1.451 40 residues pruned to eliminate duplicates Z: 9 7.555 1.626 0.513 0.882 0.875 0.750 CB 0.898 9 residues pruned to eliminate duplicates Z: 21 20.456 2.013 0.482 0.711 1.000 0.650 CB 1.267 20 residues pruned to eliminate duplicates Z: 11 7.617 1.729 0.411 0.724 1.000 0.600 CB 0.807 11 residues pruned to eliminate duplicates Z: 6 4.733 1.501 0.550 0.458 1.000 0.600 N 0.950 6 residues pruned to eliminate duplicates Z: 47 25.327 2.067 0.533 0.412 0.891 0.522 CB 1.449 47 residues pruned to eliminate duplicates Z: 22 16.328 2.077 0.416 0.461 0.857 0.524 CA 1.471 22 residues pruned to eliminate duplicates Z: 22 17.896 1.963 0.459 0.606 0.952 0.571 CB 1.294 22 residues pruned to eliminate duplicates Z: 51 28.208 2.070 0.553 0.472 0.900 0.560 CB 1.419 51 residues pruned to eliminate duplicates Z: 42 25.728 2.171 0.528 0.418 0.878 0.488 CB 1.503 42 residues pruned to eliminate duplicates Z: 29 27.822 2.270 0.685 0.398 0.929 0.571 CB 1.648 29 residues pruned to eliminate duplicates Z: 49 32.120 2.151 0.551 0.496 0.958 0.542 CB 1.456 49 residues pruned to eliminate duplicates Z: 73 46.640 2.167 0.565 0.541 0.972 0.514 CB 1.601 73 residues pruned to eliminate duplicates Z: 56 38.954 2.210 0.475 0.548 0.927 0.618 CB 1.658 56 residues pruned to eliminate duplicates Z: 36 26.979 2.144 0.481 0.489 1.000 0.571 CB 1.453 36 residues pruned to eliminate duplicates Z: 24 31.921 2.336 0.726 0.490 0.957 0.609 CB 1.743 24 residues pruned to eliminate duplicates Z: 48 25.534 2.126 0.503 0.450 0.894 0.532 CB 1.373 48 residues pruned to eliminate duplicates Z: 37 26.885 2.146 0.558 0.502 0.944 0.583 CB 1.416 37 residues pruned to eliminate duplicates Z: 40 32.450 2.222 0.598 0.457 0.949 0.590 CB 1.611 40 residues pruned to eliminate duplicates Z: 48 30.872 2.122 0.482 0.500 0.979 0.532 CB 1.464 48 residues pruned to eliminate duplicates Z: 60 44.079 2.204 0.528 0.577 0.949 0.576 CB 1.667 60 residues pruned to eliminate duplicates Z: 77 41.419 2.151 0.496 0.522 0.961 0.553 CB 1.504 77 residues pruned to eliminate duplicates Z: 57 35.867 2.169 0.525 0.535 0.929 0.554 CB 1.507 57 residues pruned to eliminate duplicates Z: 49 31.933 2.127 0.594 0.491 0.979 0.521 CB 1.401 49 residues pruned to eliminate duplicates Z: 15 16.613 2.172 0.663 0.416 0.857 0.357 CA 1.565 15 residues pruned to eliminate duplicates Z: 49 30.606 2.140 0.587 0.503 0.917 0.562 CB 1.415 49 residues pruned to eliminate duplicates Z: 49 31.066 2.140 0.495 0.497 0.979 0.542 CB 1.435 49 residues pruned to eliminate duplicates Z: 50 31.643 2.132 0.541 0.527 0.959 0.612 CB 1.397 50 residues pruned to eliminate duplicates Z: 49 29.906 2.119 0.594 0.482 0.958 0.604 CB 1.357 49 residues pruned to eliminate duplicates Z: 48 32.562 2.145 0.521 0.503 0.957 0.574 CB 1.516 48 residues pruned to eliminate duplicates Z: 41 25.657 2.140 0.509 0.414 0.925 0.550 CB 1.485 41 residues pruned to eliminate duplicates Z: 73 37.756 2.132 0.486 0.479 0.917 0.514 CB 1.564 73 residues pruned to eliminate duplicates Z: 50 27.051 2.117 0.426 0.481 0.898 0.449 CB 1.453 50 residues pruned to eliminate duplicates Z: 48 32.098 2.167 0.528 0.493 0.979 0.574 CB 1.455 48 residues pruned to eliminate duplicates Z: 42 31.983 2.116 0.518 0.618 0.927 0.659 CB 1.501 42 residues pruned to eliminate duplicates Z: 63 39.833 2.176 0.464 0.554 0.952 0.629 CB 1.583 63 residues pruned to eliminate duplicates Z: 49 40.402 2.135 0.611 0.635 0.917 0.646 CB 1.630 49 residues pruned to eliminate duplicates Z: 37 33.502 2.162 0.550 0.635 0.889 0.667 CA 1.651 37 residues pruned to eliminate duplicates Z: 75 47.258 2.206 0.562 0.573 0.946 0.703 CB 1.571 75 residues pruned to eliminate duplicates Z: 32 27.878 2.156 0.476 0.609 0.871 0.645 CA 1.629 32 residues pruned to eliminate duplicates Z: 46 32.812 2.071 0.516 0.634 0.911 0.667 CB 1.509 46 residues pruned to eliminate duplicates Z: 39 33.299 2.079 0.563 0.653 0.921 0.711 CA 1.565 39 residues pruned to eliminate duplicates Z: 39 30.796 2.118 0.347 0.654 0.947 0.605 CA 1.601 39 residues pruned to eliminate duplicates Z: 91 45.725 2.100 0.572 0.584 0.933 0.678 CB 1.444 91 residues pruned to eliminate duplicates Z: 74 42.793 2.161 0.516 0.591 0.918 0.658 CB 1.527 74 residues pruned to eliminate duplicates Z: 37 31.711 2.122 0.488 0.633 0.889 0.528 CA 1.661 37 residues pruned to eliminate duplicates Z: 37 35.866 2.122 0.512 0.679 0.972 0.694 CB 1.625 37 residues pruned to eliminate duplicates Z: 77 49.093 2.199 0.628 0.586 0.921 0.605 CB 1.573 77 residues pruned to eliminate duplicates Z: 36 33.597 2.099 0.707 0.617 0.886 0.600 CB 1.602 36 residues pruned to eliminate duplicates Z: 38 36.895 2.100 0.638 0.631 0.973 0.649 CA 1.602 38 residues pruned to eliminate duplicates Z: 35 36.058 2.126 0.720 0.678 0.941 0.559 CB 1.525 35 residues pruned to eliminate duplicates Z: 79 46.304 2.159 0.569 0.600 0.936 0.603 CB 1.504 79 residues pruned to eliminate duplicates Z: 79 48.933 2.162 0.629 0.610 0.974 0.538 CB 1.455 79 residues pruned to eliminate duplicates Z: 81 48.605 2.142 0.653 0.575 0.938 0.575 CB 1.522 81 residues pruned to eliminate duplicates Z: 37 35.096 2.133 0.762 0.641 0.861 0.583 CB 1.584 37 residues pruned to eliminate duplicates Z: 53 45.518 2.233 0.732 0.555 0.942 0.500 CB 1.641 53 residues pruned to eliminate duplicates Z: 73 46.068 2.168 0.627 0.559 0.931 0.569 CB 1.563 73 residues pruned to eliminate duplicates Z: 36 39.167 2.120 0.716 0.662 0.971 0.571 CB 1.612 36 residues pruned to eliminate duplicates Z: 14 12.840 1.973 0.247 0.561 0.923 0.308 CB 1.479 14 residues pruned to eliminate duplicates Z: 80 43.212 2.104 0.571 0.570 0.924 0.468 CB 1.488 80 residues pruned to eliminate duplicates Z: 55 34.734 2.076 0.537 0.579 0.852 0.556 CA 1.612 55 residues pruned to eliminate duplicates Z: 15 12.639 1.862 0.346 0.534 1.000 0.357 CB 1.303 15 residues pruned to eliminate duplicates Z: 81 47.602 2.142 0.660 0.581 0.913 0.625 CB 1.517 81 residues pruned to eliminate duplicates Z: 37 35.632 2.126 0.752 0.637 0.889 0.583 CA 1.578 37 residues pruned to eliminate duplicates Z: 80 46.300 2.151 0.636 0.580 0.911 0.608 CB 1.503 80 residues pruned to eliminate duplicates Z: 14 8.432 1.874 0.151 0.435 0.846 0.385 CB 1.370 14 residues pruned to eliminate duplicates Z: 39 32.588 2.071 0.595 0.634 0.921 0.658 CB 1.531 39 residues pruned to eliminate duplicates Z: 13 10.083 1.891 0.234 0.498 0.917 0.417 CB 1.363 13 residues pruned to eliminate duplicates Z: 14 14.003 1.912 0.446 0.536 1.000 0.462 CB 1.356 14 residues pruned to eliminate duplicates Z: 12 9.150 1.657 0.479 0.505 1.000 0.455 CB 1.120 12 residues pruned to eliminate duplicates Z: 12 8.119 1.592 0.290 0.471 0.909 0.545 N 1.350 12 residues pruned to eliminate duplicates Z: 11 11.030 1.919 0.595 0.527 0.800 0.800 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 11.352 1.843 0.621 0.495 0.900 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 12 13.279 1.775 0.626 0.677 0.909 0.818 CB 1.297 11 residues pruned to eliminate duplicates Z: 6 4.500 1.444 0.710 0.447 1.000 0.800 CA 0.861 6 residues pruned to eliminate duplicates Z: 10 10.961 1.979 0.297 0.493 1.000 0.778 CB 1.433 9 residues pruned to eliminate duplicates Z: 7 2.691 1.440 0.549 0.434 0.500 0.500 N 1.055 7 residues pruned to eliminate duplicates Z: 21 19.919 1.971 0.493 0.532 0.950 0.650 CA 1.544 12 residues pruned to eliminate duplicates Z: 12 26.984 2.194 0.657 0.906 1.000 0.727 CA 1.592 12 residues pruned to eliminate duplicates Z: 33 35.350 2.164 0.692 0.648 1.000 0.812 CB 1.487 33 residues pruned to eliminate duplicates Z: 36 33.181 2.083 0.742 0.584 0.971 0.829 CB 1.469 36 residues pruned to eliminate duplicates Z: 9 17.669 2.102 0.433 0.797 1.000 0.750 CA 1.599 9 residues pruned to eliminate duplicates Z: 29 25.830 2.046 0.710 0.526 0.929 0.714 CB 1.464 29 residues pruned to eliminate duplicates Z: 22 29.963 2.205 0.683 0.615 0.952 0.762 CB 1.659 22 residues pruned to eliminate duplicates Z: 34 32.398 2.115 0.668 0.624 0.970 0.636 CB 1.467 34 residues pruned to eliminate duplicates Z: 23 31.174 2.137 0.719 0.634 1.000 0.818 CB 1.596 23 residues pruned to eliminate duplicates Z: 23 32.909 2.184 0.717 0.633 1.000 0.818 CB 1.652 23 residues pruned to eliminate duplicates Z: 34 31.436 2.151 0.659 0.594 0.939 0.758 CB 1.492 34 residues pruned to eliminate duplicates Z: 31 28.821 2.034 0.734 0.548 0.933 0.667 CB 1.525 36 residues pruned to eliminate duplicates Z: 6 3.634 1.813 0.106 0.330 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 23 28.903 2.176 0.558 0.632 1.000 0.818 CB 1.606 23 residues pruned to eliminate duplicates Z: 34 32.713 2.121 0.596 0.636 0.970 0.788 CB 1.528 34 residues pruned to eliminate duplicates Z: 22 33.120 2.187 0.704 0.665 1.000 0.810 CB 1.664 22 residues pruned to eliminate duplicates Z: 28 21.916 1.938 0.661 0.502 0.963 0.704 CB 1.358 28 residues pruned to eliminate duplicates Z: 35 32.387 2.154 0.553 0.623 0.971 0.765 CB 1.524 35 residues pruned to eliminate duplicates Z: 34 35.321 2.159 0.685 0.621 1.000 0.848 CB 1.507 34 residues pruned to eliminate duplicates Z: 22 32.175 2.199 0.670 0.629 1.000 0.810 CB 1.693 22 residues pruned to eliminate duplicates Z: 14 16.195 1.908 0.476 0.575 1.000 0.846 CA 1.483 14 residues pruned to eliminate duplicates Z: 24 24.881 2.166 0.659 0.522 1.000 0.783 CB 1.412 24 residues pruned to eliminate duplicates Z: 12 13.968 2.014 0.552 0.643 0.909 0.818 CB 1.296 12 residues pruned to eliminate duplicates Z: 45 27.551 1.995 0.484 0.554 0.932 0.705 CB 1.429 45 residues pruned to eliminate duplicates Z: 25 22.741 2.146 0.678 0.454 0.958 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 22 13.091 1.938 0.356 0.487 0.952 0.667 CB 1.157 22 residues pruned to eliminate duplicates Z: 22 22.064 2.047 0.588 0.577 0.952 0.810 CB 1.444 22 residues pruned to eliminate duplicates Z: 11 13.425 2.073 0.391 0.548 1.000 1.000 CB 1.404 11 residues pruned to eliminate duplicates Z: 35 27.038 2.071 0.543 0.592 0.941 0.824 CB 1.412 35 residues pruned to eliminate duplicates Z: 22 19.157 2.083 0.617 0.452 0.857 0.714 CB 1.521 22 residues pruned to eliminate duplicates Z: 10 15.335 2.225 0.966 0.481 0.778 0.667 CB 1.531 10 residues pruned to eliminate duplicates Z: 14 13.520 2.018 0.602 0.489 0.923 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 11 14.776 2.056 0.680 0.507 0.900 0.700 CB 1.493 9 residues pruned to eliminate duplicates Z: 6 6.071 1.874 0.703 0.292 0.800 0.400 CA 1.343 6 residues pruned to eliminate duplicates Z: 10 17.197 2.112 0.740 0.581 0.889 0.889 CB 1.624 10 residues pruned to eliminate duplicates Z: 35 28.690 2.129 0.780 0.449 0.971 0.794 CB 1.409 35 residues pruned to eliminate duplicates Z: 10 16.813 2.108 0.712 0.586 0.889 0.778 CB 1.609 11 residues pruned to eliminate duplicates Z: 12 14.957 1.976 0.547 0.624 1.000 0.545 CA 1.313 11 residues pruned to eliminate duplicates Z: 10 15.737 2.037 0.736 0.772 0.889 0.444 CA 1.312 10 residues pruned to eliminate duplicates Z: 15 16.064 2.036 0.708 0.572 0.929 0.500 CB 1.240 13 residues pruned to eliminate duplicates Z: 9 15.530 2.106 0.705 0.826 1.000 0.625 CA 1.153 9 residues pruned to eliminate duplicates Z: 14 14.943 2.065 0.726 0.542 0.923 0.615 CB 1.208 14 residues pruned to eliminate duplicates Z: 11 15.649 2.016 0.526 0.618 1.000 0.500 CA 1.439 11 residues pruned to eliminate duplicates 361 residues left after pruning, divided into chains as follows: A: 34 B: 140 C: 187 CC for partial structure against native data = 41.60 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.408, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.460, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.550, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.554, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.561, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.565, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.793 for dens.mod. cycle 8 = 0.300, Contrast = 0.573, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.574, Connect. = 0.794 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1913 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 449 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 22.899 2.252 0.183 0.927 0.933 0.933 CA 1.667 B: 101 51.952 2.203 0.677 0.493 0.890 0.590 CB 1.591 C: 53 43.856 2.124 0.837 0.638 0.923 0.731 CB 1.483 53 residues pruned to eliminate duplicates D: 96 52.629 2.207 0.637 0.570 0.905 0.674 CB 1.544 100 residues pruned to eliminate duplicates E: 13 21.285 2.090 0.582 0.829 0.917 0.500 CB 1.525 F: 8 16.300 2.323 0.810 0.758 0.714 0.429 CA 1.631 G: 75 44.172 2.145 0.555 0.562 0.959 0.608 CB 1.511 16 residues pruned to eliminate duplicates H: 16 30.646 2.328 0.495 0.937 0.933 0.933 CA 1.695 16 residues pruned to eliminate duplicates I: 34 38.667 2.160 0.824 0.608 1.000 0.788 CB 1.542 34 residues pruned to eliminate duplicates J: 12 29.831 2.208 0.619 0.934 1.000 0.818 CB 1.754 13 residues pruned to eliminate duplicates K: 10 12.013 2.060 0.431 0.564 0.889 0.889 CB 1.437 L: 13 17.198 2.009 0.683 0.512 1.000 0.667 CB 1.451 M: 20 20.506 2.069 0.433 0.569 1.000 0.842 CA 1.484 14 residues pruned to eliminate duplicates N: 10 12.760 2.069 0.486 0.556 0.889 0.889 CB 1.474 10 residues pruned to eliminate duplicates O: 11 20.118 2.231 0.853 0.524 1.000 0.800 CB 1.503 8 residues pruned to eliminate duplicates P: 18 25.405 2.187 0.477 0.902 0.882 0.765 CA 1.543 18 residues pruned to eliminate duplicates Q: 138 57.577 2.181 0.596 0.514 0.942 0.642 CB 1.480 106 residues pruned to eliminate duplicates R: 12 22.897 2.158 0.382 0.914 1.000 0.636 CB 1.636 12 residues pruned to eliminate duplicates S: 33 27.886 2.119 0.633 0.592 0.938 0.562 CB 1.392 25 residues pruned to eliminate duplicates T: 51 45.804 2.150 0.898 0.635 0.960 0.680 CB 1.456 51 residues pruned to eliminate duplicates U: 9 15.321 2.187 0.483 0.756 0.875 0.625 CA 1.519 8 residues pruned to eliminate duplicates V: 45 32.271 2.191 0.584 0.506 0.886 0.545 CB 1.572 45 residues pruned to eliminate duplicates W: 8 14.321 2.136 0.510 0.784 0.857 0.714 CA 1.524 8 residues pruned to eliminate duplicates X: 147 61.584 2.200 0.599 0.557 0.884 0.671 CB 1.551 126 residues pruned to eliminate duplicates Y: 27 32.224 2.183 0.704 0.606 0.923 0.769 CB 1.664 27 residues pruned to eliminate duplicates Z: 13 23.613 2.105 0.455 0.936 1.000 1.000 CA 1.550 13 residues pruned to eliminate duplicates Z: 12 12.122 2.015 0.254 0.483 0.909 0.545 CB 1.618 12 residues pruned to eliminate duplicates Z: 49 29.678 2.097 0.596 0.475 0.958 0.521 CB 1.370 49 residues pruned to eliminate duplicates Z: 18 27.710 2.212 0.602 0.882 0.882 0.529 CA 1.555 18 residues pruned to eliminate duplicates Z: 59 42.650 2.234 0.680 0.524 0.914 0.655 CB 1.595 59 residues pruned to eliminate duplicates Z: 17 30.510 2.033 0.806 0.927 0.938 0.750 CB 1.552 17 residues pruned to eliminate duplicates Z: 57 37.673 2.237 0.584 0.510 0.893 0.607 CB 1.576 57 residues pruned to eliminate duplicates Z: 12 27.642 2.156 0.618 0.926 1.000 0.818 CB 1.675 12 residues pruned to eliminate duplicates Z: 11 13.854 2.023 0.808 0.516 0.900 0.700 CB 1.311 10 residues pruned to eliminate duplicates Z: 16 26.371 2.326 0.224 0.939 1.000 0.867 CA 1.663 16 residues pruned to eliminate duplicates Z: 11 15.725 2.006 0.673 0.762 0.800 0.600 CA 1.468 9 residues pruned to eliminate duplicates Z: 12 8.381 1.885 0.553 0.225 0.818 0.545 CA 1.454 Z: 16 32.819 2.124 0.824 0.948 1.000 0.733 CB 1.510 16 residues pruned to eliminate duplicates Z: 12 26.995 2.155 0.569 0.918 1.000 0.909 CB 1.697 12 residues pruned to eliminate duplicates Z: 47 34.982 2.147 0.701 0.519 0.957 0.609 CB 1.448 47 residues pruned to eliminate duplicates Z: 9 16.258 2.165 0.776 0.614 0.875 0.750 CB 1.533 10 residues pruned to eliminate duplicates Z: 18 31.730 2.227 0.920 0.876 0.824 0.647 CA 1.589 27 residues pruned to eliminate duplicates Z: 16 31.855 2.112 0.817 0.932 1.000 0.533 CB 1.497 16 residues pruned to eliminate duplicates Z: 10 19.727 2.092 0.771 0.698 1.000 0.778 CB 1.482 10 residues pruned to eliminate duplicates Z: 13 27.915 2.139 0.660 0.894 1.000 1.000 CA 1.628 13 residues pruned to eliminate duplicates Z: 34 28.874 2.056 0.731 0.599 0.909 0.636 CB 1.414 34 residues pruned to eliminate duplicates Z: 16 34.085 2.365 0.592 0.944 0.933 0.933 CA 1.734 17 residues pruned to eliminate duplicates Z: 41 28.421 2.158 0.657 0.443 0.875 0.575 CB 1.523 41 residues pruned to eliminate duplicates Z: 13 22.761 2.104 0.443 0.925 1.000 1.000 CA 1.519 13 residues pruned to eliminate duplicates Z: 78 45.982 2.138 0.627 0.579 0.935 0.545 CB 1.493 65 residues pruned to eliminate duplicates Z: 13 23.102 2.117 0.525 0.895 1.000 1.000 CA 1.481 13 residues pruned to eliminate duplicates Z: 13 32.811 2.107 0.875 0.947 1.000 1.000 CA 1.657 13 residues pruned to eliminate duplicates Z: 12 26.409 2.302 0.772 0.785 0.909 0.727 CA 1.671 12 residues pruned to eliminate duplicates Z: 11 14.636 2.105 0.633 0.475 0.900 0.400 CB 1.535 11 residues pruned to eliminate duplicates Z: 18 27.589 2.148 0.571 0.858 0.941 0.706 CA 1.552 18 residues pruned to eliminate duplicates Z: 13 20.222 2.085 0.292 0.930 1.000 1.000 CA 1.516 13 residues pruned to eliminate duplicates Z: 11 14.426 2.072 0.402 0.573 1.000 0.800 CB 1.464 11 residues pruned to eliminate duplicates Z: 8 14.709 2.044 0.566 0.835 1.000 0.429 CB 1.301 8 residues pruned to eliminate duplicates Z: 12 23.036 2.116 0.670 0.672 1.000 0.727 CB 1.678 12 residues pruned to eliminate duplicates Z: 10 22.967 2.246 0.353 0.917 1.000 0.889 CB 1.778 10 residues pruned to eliminate duplicates Z: 17 32.038 2.213 0.757 0.933 0.875 0.688 CA 1.643 17 residues pruned to eliminate duplicates Z: 8 11.715 2.075 0.481 0.777 0.857 0.714 CA 1.317 8 residues pruned to eliminate duplicates Z: 16 37.320 2.344 0.830 0.923 0.933 0.867 CA 1.691 16 residues pruned to eliminate duplicates Z: 13 29.616 2.121 0.733 0.946 1.000 0.750 CB 1.609 13 residues pruned to eliminate duplicates Z: 9 14.645 2.147 0.425 0.801 0.875 0.750 CA 1.487 9 residues pruned to eliminate duplicates Z: 18 16.685 1.907 0.319 0.596 1.000 0.706 CB 1.469 Z: 58 37.568 2.042 0.557 0.587 0.965 0.544 CB 1.492 55 residues pruned to eliminate duplicates Z: 12 16.009 2.020 0.709 0.658 0.909 0.636 CA 1.328 Z: 57 48.965 2.156 0.804 0.657 0.946 0.661 CB 1.537 57 residues pruned to eliminate duplicates Z: 13 19.156 2.086 0.304 0.913 0.917 0.833 CA 1.569 12 residues pruned to eliminate duplicates Z: 50 47.873 2.190 0.799 0.674 0.939 0.735 CB 1.574 50 residues pruned to eliminate duplicates Z: 7 7.896 2.095 0.099 0.803 1.000 0.667 CB 1.074 Z: 8 13.033 2.332 0.644 0.696 0.714 0.571 CA 1.504 8 residues pruned to eliminate duplicates Z: 73 48.186 2.131 0.785 0.584 0.917 0.583 CB 1.502 84 residues pruned to eliminate duplicates Z: 97 56.856 2.230 0.632 0.552 0.927 0.729 CB 1.635 97 residues pruned to eliminate duplicates Z: 17 37.541 2.274 0.869 0.892 0.938 0.750 CA 1.691 17 residues pruned to eliminate duplicates Z: 50 46.503 2.182 0.801 0.647 0.939 0.694 CB 1.570 50 residues pruned to eliminate duplicates Z: 16 28.163 2.107 0.611 0.941 1.000 0.667 CB 1.487 16 residues pruned to eliminate duplicates Z: 113 58.418 2.177 0.703 0.570 0.929 0.571 CB 1.500 113 residues pruned to eliminate duplicates Z: 12 17.502 2.163 0.054 0.932 1.000 1.000 CA 1.616 13 residues pruned to eliminate duplicates Z: 18 22.831 2.169 0.541 0.906 0.824 0.706 CA 1.431 18 residues pruned to eliminate duplicates Z: 12 16.901 2.124 0.451 0.571 0.909 0.727 CB 1.699 12 residues pruned to eliminate duplicates Z: 11 14.105 2.022 0.746 0.526 0.900 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 89 59.279 2.163 0.774 0.608 0.955 0.625 CB 1.557 89 residues pruned to eliminate duplicates Z: 9 14.306 2.156 0.411 0.799 0.875 0.625 CA 1.463 Z: 8 11.766 2.188 0.620 0.761 0.714 0.571 CA 1.393 8 residues pruned to eliminate duplicates Z: 112 58.218 2.209 0.623 0.558 0.946 0.631 CB 1.541 112 residues pruned to eliminate duplicates Z: 18 22.386 2.172 0.155 0.902 1.000 0.765 CA 1.544 18 residues pruned to eliminate duplicates Z: 20 21.436 2.133 0.589 0.566 0.947 0.737 CB 1.437 20 residues pruned to eliminate duplicates Z: 34 37.969 2.165 0.770 0.645 0.970 0.818 CB 1.553 34 residues pruned to eliminate duplicates Z: 17 22.972 2.121 0.299 0.867 1.000 0.812 CB 1.525 17 residues pruned to eliminate duplicates Z: 34 29.044 2.124 0.540 0.604 0.939 0.727 CB 1.491 34 residues pruned to eliminate duplicates Z: 22 23.312 2.090 0.528 0.614 0.952 0.714 CB 1.502 22 residues pruned to eliminate duplicates Z: 43 29.792 2.148 0.561 0.515 0.905 0.595 CB 1.492 43 residues pruned to eliminate duplicates Z: 8 12.545 2.199 0.498 0.593 0.857 0.857 CB 1.537 8 residues pruned to eliminate duplicates Z: 58 46.173 2.195 0.683 0.644 0.947 0.702 CB 1.527 58 residues pruned to eliminate duplicates Z: 6 7.451 1.834 0.407 0.642 0.800 0.600 CB 1.413 6 residues pruned to eliminate duplicates Z: 9 11.859 1.900 0.357 0.883 0.875 0.750 CB 1.344 9 residues pruned to eliminate duplicates Z: 84 46.006 2.177 0.720 0.522 0.892 0.699 CB 1.480 84 residues pruned to eliminate duplicates Z: 13 31.517 2.131 0.833 0.934 1.000 0.917 CA 1.624 13 residues pruned to eliminate duplicates Z: 7 8.138 2.068 0.127 0.850 1.000 0.833 CB 1.055 7 residues pruned to eliminate duplicates Z: 19 12.296 1.999 0.342 0.338 0.889 0.500 CA 1.450 19 residues pruned to eliminate duplicates Z: 10 10.762 2.124 0.139 0.566 0.889 0.889 CB 1.565 10 residues pruned to eliminate duplicates Z: 13 15.153 2.000 0.585 0.460 0.833 0.750 CB 1.725 13 residues pruned to eliminate duplicates Z: 16 19.948 2.085 0.179 0.921 1.000 0.867 CB 1.475 16 residues pruned to eliminate duplicates Z: 12 22.522 2.280 0.925 0.497 1.000 0.909 CB 1.551 12 residues pruned to eliminate duplicates Z: 17 29.911 2.004 0.755 0.921 1.000 0.500 CB 1.496 17 residues pruned to eliminate duplicates Z: 13 12.961 1.993 0.444 0.551 0.917 0.583 CB 1.349 13 residues pruned to eliminate duplicates Z: 73 41.462 2.121 0.691 0.598 0.875 0.653 CB 1.418 73 residues pruned to eliminate duplicates Z: 18 32.681 2.190 0.983 0.932 0.824 0.471 CA 1.548 18 residues pruned to eliminate duplicates Z: 12 10.366 1.929 0.380 0.524 1.000 0.727 CB 1.146 Z: 9 13.366 2.084 0.537 0.697 0.875 0.750 CB 1.409 9 residues pruned to eliminate duplicates Z: 23 18.343 2.057 0.358 0.593 0.909 0.727 CB 1.409 22 residues pruned to eliminate duplicates Z: 30 18.907 2.047 0.506 0.429 0.897 0.448 CB 1.367 30 residues pruned to eliminate duplicates Z: 40 25.976 2.162 0.469 0.417 0.949 0.513 CB 1.506 40 residues pruned to eliminate duplicates Z: 32 27.073 2.144 0.483 0.541 0.968 0.677 CB 1.518 32 residues pruned to eliminate duplicates Z: 16 24.092 2.049 0.392 0.951 1.000 0.800 CB 1.503 16 residues pruned to eliminate duplicates Z: 107 54.092 2.207 0.592 0.554 0.915 0.698 CB 1.551 107 residues pruned to eliminate duplicates Z: 22 18.215 1.947 0.422 0.582 0.905 0.571 CB 1.467 22 residues pruned to eliminate duplicates Z: 16 29.686 2.091 0.685 0.942 1.000 0.800 CB 1.508 16 residues pruned to eliminate duplicates Z: 107 59.960 2.195 0.673 0.564 0.962 0.679 CB 1.549 107 residues pruned to eliminate duplicates Z: 112 61.470 2.199 0.694 0.614 0.928 0.685 CB 1.516 112 residues pruned to eliminate duplicates Z: 33 38.454 2.215 0.705 0.639 0.969 0.750 CB 1.631 34 residues pruned to eliminate duplicates Z: 14 22.628 1.967 0.584 0.860 1.000 0.846 CA 1.481 14 residues pruned to eliminate duplicates Z: 62 39.095 2.205 0.634 0.496 0.951 0.639 CB 1.466 62 residues pruned to eliminate duplicates Z: 65 40.449 2.197 0.658 0.493 0.938 0.688 CB 1.492 65 residues pruned to eliminate duplicates Z: 17 19.092 1.999 0.095 0.905 1.000 0.812 CA 1.552 17 residues pruned to eliminate duplicates Z: 10 15.595 2.050 0.700 0.594 0.889 0.778 CB 1.533 10 residues pruned to eliminate duplicates Z: 12 8.906 1.833 0.471 0.488 0.727 0.545 CB 1.386 12 residues pruned to eliminate duplicates Z: 11 11.527 2.025 0.476 0.497 0.900 0.600 CB 1.359 11 residues pruned to eliminate duplicates Z: 15 11.558 1.914 0.668 0.366 0.857 0.429 CB 1.304 19 residues pruned to eliminate duplicates Z: 12 28.584 2.151 0.672 0.930 1.000 0.636 CB 1.677 12 residues pruned to eliminate duplicates Z: 18 31.642 2.225 0.795 0.668 0.941 0.882 CB 1.748 18 residues pruned to eliminate duplicates Z: 7 6.664 2.032 0.111 0.871 1.000 1.000 CB 0.879 7 residues pruned to eliminate duplicates Z: 7 7.254 2.099 0.064 0.886 1.000 1.000 CB 0.956 7 residues pruned to eliminate duplicates Z: 47 32.870 2.173 0.653 0.529 0.935 0.609 CB 1.403 48 residues pruned to eliminate duplicates Z: 48 32.624 2.130 0.600 0.529 0.979 0.553 CB 1.387 47 residues pruned to eliminate duplicates Z: 12 10.779 1.693 0.693 0.581 0.818 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 53 30.198 2.061 0.589 0.501 0.923 0.538 CB 1.384 53 residues pruned to eliminate duplicates Z: 22 21.415 1.953 0.683 0.676 1.000 0.524 CB 1.210 22 residues pruned to eliminate duplicates Z: 78 45.092 2.110 0.697 0.534 0.909 0.532 CB 1.527 98 residues pruned to eliminate duplicates Z: 34 43.716 2.221 0.844 0.668 1.000 0.848 CB 1.590 34 residues pruned to eliminate duplicates Z: 47 30.683 2.045 0.459 0.616 0.891 0.587 CB 1.524 47 residues pruned to eliminate duplicates Z: 23 21.318 2.142 0.474 0.440 1.000 0.545 CB 1.531 23 residues pruned to eliminate duplicates Z: 17 35.592 2.304 0.919 0.946 0.875 0.750 CA 1.591 17 residues pruned to eliminate duplicates Z: 12 11.221 2.094 0.652 0.441 0.909 0.818 CB 1.144 12 residues pruned to eliminate duplicates Z: 12 14.424 1.988 0.908 0.553 0.818 0.545 CB 1.331 12 residues pruned to eliminate duplicates Z: 16 32.803 2.093 0.878 0.946 1.000 0.733 CB 1.490 16 residues pruned to eliminate duplicates Z: 13 17.268 2.026 0.558 0.642 1.000 0.750 CB 1.383 12 residues pruned to eliminate duplicates Z: 17 27.456 2.227 0.510 0.860 0.938 0.625 CA 1.601 17 residues pruned to eliminate duplicates Z: 79 42.675 2.201 0.552 0.528 0.885 0.641 CB 1.557 79 residues pruned to eliminate duplicates Z: 60 48.793 2.248 0.808 0.531 0.932 0.644 CB 1.627 60 residues pruned to eliminate duplicates Z: 25 18.138 2.067 0.713 0.452 0.833 0.583 CB 1.318 25 residues pruned to eliminate duplicates Z: 13 25.917 2.103 0.654 0.895 1.000 0.750 CA 1.542 13 residues pruned to eliminate duplicates Z: 11 23.479 2.234 0.519 0.912 0.900 0.900 CA 1.722 11 residues pruned to eliminate duplicates Z: 6 10.426 2.141 0.563 0.878 1.000 1.000 CB 1.010 6 residues pruned to eliminate duplicates Z: 16 20.957 2.067 0.144 0.943 1.000 1.000 CA 1.587 16 residues pruned to eliminate duplicates Z: 23 18.512 2.139 0.550 0.434 0.864 0.455 CB 1.476 23 residues pruned to eliminate duplicates Z: 106 53.126 2.182 0.655 0.562 0.914 0.667 CB 1.479 106 residues pruned to eliminate duplicates Z: 103 44.440 2.122 0.648 0.494 0.873 0.667 CB 1.450 103 residues pruned to eliminate duplicates Z: 105 54.712 2.218 0.618 0.566 0.923 0.702 CB 1.520 105 residues pruned to eliminate duplicates Z: 18 24.302 1.990 0.430 0.865 1.000 0.765 CB 1.518 18 residues pruned to eliminate duplicates Z: 62 40.210 2.214 0.634 0.549 0.918 0.738 CB 1.478 62 residues pruned to eliminate duplicates Z: 86 47.906 2.160 0.680 0.554 0.918 0.718 CB 1.481 86 residues pruned to eliminate duplicates Z: 8 8.636 1.991 0.029 0.860 1.000 0.857 CB 1.171 7 residues pruned to eliminate duplicates Z: 47 32.853 2.141 0.664 0.519 0.957 0.543 CB 1.395 47 residues pruned to eliminate duplicates Z: 10 11.031 1.870 -0.075 0.779 1.000 0.556 C 1.663 Z: 15 16.258 2.018 0.604 0.499 0.929 0.857 CB 1.447 15 residues pruned to eliminate duplicates Z: 23 28.030 2.132 0.679 0.615 0.955 0.727 CB 1.569 23 residues pruned to eliminate duplicates Z: 35 39.446 2.323 0.700 0.498 0.971 0.676 CB 1.769 35 residues pruned to eliminate duplicates Z: 25 11.844 1.937 0.502 0.320 0.875 0.458 CB 1.158 25 residues pruned to eliminate duplicates Z: 12 23.047 2.132 0.379 0.925 1.000 0.909 CA 1.658 13 residues pruned to eliminate duplicates Z: 14 15.866 2.022 0.632 0.579 0.923 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 48 34.821 2.155 0.617 0.528 0.979 0.532 CB 1.449 49 residues pruned to eliminate duplicates Z: 26 18.729 2.001 0.747 0.464 0.880 0.600 CB 1.263 26 residues pruned to eliminate duplicates Z: 8 4.903 1.775 -0.222 0.563 1.000 0.714 N 1.263 Z: 9 5.261 1.842 -0.273 0.672 0.875 0.500 C 1.356 9 residues pruned to eliminate duplicates Z: 22 12.608 1.905 0.459 0.671 0.857 0.476 CB 0.987 21 residues pruned to eliminate duplicates Z: 27 18.668 2.037 0.628 0.524 0.885 0.692 CB 1.219 8 residues pruned to eliminate duplicates Z: 11 22.980 2.203 0.790 0.590 1.000 1.000 CB 1.691 11 residues pruned to eliminate duplicates Z: 23 16.261 1.908 0.437 0.678 0.955 0.591 CB 1.125 23 residues pruned to eliminate duplicates Z: 12 13.083 1.988 0.604 0.573 0.909 0.545 CA 1.268 12 residues pruned to eliminate duplicates Z: 16 22.544 2.051 0.311 0.917 1.000 0.800 CB 1.529 16 residues pruned to eliminate duplicates Z: 39 30.626 2.144 0.679 0.452 0.947 0.605 CB 1.529 39 residues pruned to eliminate duplicates Z: 8 9.981 1.805 0.500 0.917 0.857 0.714 CB 1.147 8 residues pruned to eliminate duplicates Z: 16 18.024 2.068 0.012 0.933 1.000 1.000 CB 1.553 16 residues pruned to eliminate duplicates Z: 69 49.235 2.200 0.663 0.580 0.956 0.706 CB 1.580 69 residues pruned to eliminate duplicates Z: 58 31.175 2.136 0.442 0.458 0.947 0.684 CB 1.476 58 residues pruned to eliminate duplicates Z: 15 43.137 2.325 1.031 0.953 1.000 0.500 CA 1.680 15 residues pruned to eliminate duplicates Z: 96 60.437 2.204 0.741 0.612 0.937 0.695 CB 1.551 96 residues pruned to eliminate duplicates Z: 23 32.757 2.145 0.960 0.665 0.909 0.727 CB 1.568 23 residues pruned to eliminate duplicates Z: 8 4.764 1.856 -0.233 0.466 1.000 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 6 8.301 2.180 0.473 0.876 1.000 0.600 CB 0.840 6 residues pruned to eliminate duplicates Z: 13 33.676 2.134 0.962 0.928 1.000 0.667 CB 1.626 12 residues pruned to eliminate duplicates Z: 96 65.955 2.244 0.811 0.580 0.937 0.695 CB 1.645 96 residues pruned to eliminate duplicates Z: 49 32.640 2.090 0.641 0.482 0.979 0.583 CB 1.428 49 residues pruned to eliminate duplicates Z: 40 34.907 2.013 0.693 0.636 0.974 0.615 CA 1.482 40 residues pruned to eliminate duplicates Z: 14 27.710 2.133 0.839 0.772 1.000 0.923 CB 1.540 14 residues pruned to eliminate duplicates Z: 21 30.025 2.193 0.659 0.663 1.000 0.850 CB 1.587 20 residues pruned to eliminate duplicates Z: 54 41.412 2.122 0.634 0.592 0.943 0.698 CA 1.592 54 residues pruned to eliminate duplicates Z: 15 15.595 1.878 0.898 0.492 0.929 0.500 CB 1.269 15 residues pruned to eliminate duplicates Z: 18 14.541 1.999 -0.050 0.826 0.941 0.765 CA 1.488 18 residues pruned to eliminate duplicates Z: 12 13.052 1.961 0.534 0.606 0.909 0.818 CB 1.302 12 residues pruned to eliminate duplicates Z: 63 44.053 2.192 0.703 0.533 0.919 0.710 CB 1.578 63 residues pruned to eliminate duplicates Z: 19 18.414 2.054 0.228 0.608 1.000 0.833 CB 1.553 19 residues pruned to eliminate duplicates Z: 13 16.548 2.114 0.635 0.481 0.917 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 12 11.408 1.887 0.531 0.642 0.909 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 24 23.553 2.138 0.349 0.712 0.957 0.739 CA 1.468 24 residues pruned to eliminate duplicates Z: 33 26.912 2.070 0.499 0.582 0.969 0.812 CB 1.462 33 residues pruned to eliminate duplicates Z: 21 11.095 1.984 0.625 0.320 0.750 0.450 CB 1.252 21 residues pruned to eliminate duplicates Z: 24 29.412 2.136 0.705 0.675 0.957 0.783 CB 1.499 24 residues pruned to eliminate duplicates Z: 13 10.879 1.860 0.275 0.552 1.000 0.667 CA 1.258 13 residues pruned to eliminate duplicates Z: 53 31.652 2.049 0.586 0.526 0.942 0.558 CB 1.398 53 residues pruned to eliminate duplicates Z: 7 2.808 1.657 -0.182 0.598 1.000 0.667 CB 0.770 Z: 59 33.335 2.146 0.573 0.493 0.948 0.586 CB 1.377 59 residues pruned to eliminate duplicates Z: 8 8.798 2.101 0.174 0.871 1.000 0.857 CB 0.983 8 residues pruned to eliminate duplicates Z: 23 37.144 2.173 0.776 0.767 1.000 0.636 CA 1.619 23 residues pruned to eliminate duplicates Z: 84 46.454 2.116 0.703 0.572 0.940 0.614 CB 1.405 84 residues pruned to eliminate duplicates Z: 7 9.948 2.031 0.490 0.874 1.000 0.833 CB 0.977 7 residues pruned to eliminate duplicates Z: 10 8.960 1.643 0.312 0.919 1.000 0.667 CB 0.976 10 residues pruned to eliminate duplicates Z: 10 9.830 1.910 0.478 0.610 0.889 0.556 CB 1.176 10 residues pruned to eliminate duplicates Z: 15 19.642 2.014 0.551 0.638 1.000 0.786 CA 1.477 15 residues pruned to eliminate duplicates Z: 6 7.235 1.850 0.288 0.478 1.000 0.800 CA 1.389 6 residues pruned to eliminate duplicates Z: 64 39.272 2.139 0.592 0.538 0.905 0.635 CB 1.547 64 residues pruned to eliminate duplicates Z: 49 38.228 2.199 0.676 0.497 0.958 0.667 CB 1.568 49 residues pruned to eliminate duplicates Z: 13 17.827 2.045 0.120 0.932 1.000 1.000 CA 1.569 13 residues pruned to eliminate duplicates Z: 115 61.682 2.199 0.677 0.601 0.939 0.702 CB 1.516 115 residues pruned to eliminate duplicates Z: 36 30.890 2.132 0.863 0.495 0.943 0.657 CB 1.401 36 residues pruned to eliminate duplicates Z: 13 11.694 1.923 0.469 0.489 0.833 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 8 12.163 1.889 0.709 0.618 1.000 0.714 CB 1.273 8 residues pruned to eliminate duplicates Z: 10 15.868 2.096 0.218 0.855 1.000 0.778 CB 1.528 10 residues pruned to eliminate duplicates Z: 15 5.874 1.592 -0.168 0.472 1.000 0.500 CB 1.220 Z: 27 14.973 2.032 0.386 0.418 0.885 0.462 CB 1.284 27 residues pruned to eliminate duplicates Z: 112 61.108 2.175 0.667 0.583 0.937 0.676 CB 1.576 112 residues pruned to eliminate duplicates Z: 7 2.168 1.296 0.350 0.438 0.667 0.500 N 0.809 7 residues pruned to eliminate duplicates Z: 24 35.110 2.132 0.796 0.732 0.957 0.565 CA 1.623 24 residues pruned to eliminate duplicates Z: 82 37.944 2.083 0.474 0.525 0.901 0.519 CB 1.486 82 residues pruned to eliminate duplicates Z: 89 40.407 2.089 0.672 0.507 0.898 0.534 CB 1.364 89 residues pruned to eliminate duplicates Z: 34 36.108 2.178 0.730 0.617 0.939 0.848 CB 1.590 34 residues pruned to eliminate duplicates Z: 8 20.594 2.317 0.787 0.824 1.000 0.429 CA 1.420 9 residues pruned to eliminate duplicates Z: 7 12.809 2.032 0.194 0.868 1.000 0.833 CB 1.576 7 residues pruned to eliminate duplicates Z: 7 15.627 2.088 0.463 0.899 1.000 0.833 CB 1.493 7 residues pruned to eliminate duplicates Z: 61 38.925 2.222 0.576 0.536 0.933 0.683 CB 1.485 61 residues pruned to eliminate duplicates Z: 17 13.436 2.013 0.428 0.436 0.875 0.500 CA 1.426 17 residues pruned to eliminate duplicates Z: 11 15.874 2.173 0.750 0.591 0.800 0.600 CB 1.513 7 residues pruned to eliminate duplicates Z: 64 45.879 2.211 0.601 0.600 0.937 0.778 CB 1.584 64 residues pruned to eliminate duplicates Z: 73 42.802 2.154 0.529 0.561 0.931 0.653 CB 1.551 73 residues pruned to eliminate duplicates Z: 33 24.291 2.050 0.479 0.549 0.969 0.625 CB 1.394 33 residues pruned to eliminate duplicates 6 1.886 1.814 -0.252 0.411 0.600 0.400 CB 1.137 ? Z: 92 53.524 2.233 0.635 0.547 0.890 0.659 CB 1.649 92 residues pruned to eliminate duplicates Z: 49 27.834 2.098 0.513 0.484 0.938 0.583 CB 1.372 49 residues pruned to eliminate duplicates Z: 7 10.476 1.867 0.555 0.672 0.833 0.667 CA 1.508 7 residues pruned to eliminate duplicates Z: 6 4.334 1.387 0.418 0.763 0.800 0.600 CB 0.975 6 residues pruned to eliminate duplicates Z: 7 11.861 1.857 0.427 0.808 1.000 0.667 CA 1.397 7 residues pruned to eliminate duplicates Z: 18 24.014 1.973 0.480 0.884 1.000 0.882 CB 1.441 18 residues pruned to eliminate duplicates Z: 17 23.764 2.029 0.415 0.922 0.938 0.938 CB 1.552 17 residues pruned to eliminate duplicates Z: 50 39.162 2.186 0.506 0.645 0.939 0.735 CB 1.581 50 residues pruned to eliminate duplicates Z: 18 12.702 1.936 0.395 0.384 0.882 0.588 CB 1.463 18 residues pruned to eliminate duplicates Z: 10 13.966 2.039 0.510 0.801 0.889 0.556 CA 1.307 10 residues pruned to eliminate duplicates Z: 62 46.903 2.196 0.646 0.589 0.951 0.721 CB 1.605 62 residues pruned to eliminate duplicates Z: 17 21.113 1.917 0.414 0.884 1.000 0.875 CB 1.407 17 residues pruned to eliminate duplicates Z: 9 5.663 1.840 0.361 0.164 0.875 0.500 N 1.377 9 residues pruned to eliminate duplicates Z: 6 5.340 1.771 0.032 0.636 1.000 0.800 CB 1.150 Z: 60 36.826 2.100 0.439 0.594 0.932 0.661 CB 1.557 60 residues pruned to eliminate duplicates Z: 7 4.631 1.879 -0.386 0.737 1.000 0.667 CB 1.324 Z: 9 10.590 1.760 0.649 0.620 0.875 0.625 CB 1.317 9 residues pruned to eliminate duplicates Z: 81 46.287 2.115 0.556 0.568 0.963 0.575 CB 1.530 81 residues pruned to eliminate duplicates Z: 8 6.477 2.017 -0.036 0.817 0.857 0.714 CB 1.115 8 residues pruned to eliminate duplicates Z: 9 12.991 2.038 0.485 0.739 0.750 0.750 CA 1.633 9 residues pruned to eliminate duplicates Z: 23 26.619 2.059 0.638 0.600 1.000 0.773 CB 1.529 23 residues pruned to eliminate duplicates Z: 11 13.377 1.992 0.396 0.560 1.000 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 29 10.821 1.819 0.328 0.492 0.786 0.393 CB 1.087 29 residues pruned to eliminate duplicates Z: 17 8.600 1.964 0.402 0.251 0.750 0.438 CB 1.387 17 residues pruned to eliminate duplicates Z: 12 13.734 1.908 0.441 0.593 1.000 0.818 CB 1.378 12 residues pruned to eliminate duplicates Z: 10 15.411 2.142 0.657 0.586 0.889 0.778 CB 1.499 10 residues pruned to eliminate duplicates Z: 7 9.060 1.577 0.581 0.799 1.000 0.833 CB 1.142 7 residues pruned to eliminate duplicates Z: 11 17.511 2.005 0.224 0.909 1.000 1.000 CA 1.602 11 residues pruned to eliminate duplicates Z: 20 17.506 2.030 0.744 0.405 0.842 0.474 CA 1.488 20 residues pruned to eliminate duplicates Z: 9 2.677 1.355 0.569 0.263 0.625 0.250 CA 0.934 9 residues pruned to eliminate duplicates Z: 111 54.635 2.178 0.636 0.567 0.909 0.700 CB 1.508 111 residues pruned to eliminate duplicates Z: 7 12.736 2.165 0.355 0.881 1.000 1.000 CB 1.283 7 residues pruned to eliminate duplicates Z: 10 16.219 2.079 0.426 0.667 1.000 1.000 CB 1.562 10 residues pruned to eliminate duplicates Z: 11 12.210 2.004 0.440 0.634 0.900 0.600 CB 1.311 11 residues pruned to eliminate duplicates Z: 39 31.243 2.173 0.600 0.565 0.947 0.632 CB 1.445 39 residues pruned to eliminate duplicates Z: 23 11.732 1.944 0.486 0.374 0.818 0.409 CB 1.210 23 residues pruned to eliminate duplicates Z: 18 14.053 1.930 0.536 0.496 0.941 0.588 CB 1.227 18 residues pruned to eliminate duplicates Z: 8 3.655 1.677 0.017 0.461 0.857 0.714 CB 0.983 Z: 20 13.478 1.990 0.343 0.527 0.842 0.684 CB 1.338 20 residues pruned to eliminate duplicates Z: 10 9.469 1.779 0.630 0.916 1.000 0.889 CB 0.769 10 residues pruned to eliminate duplicates Z: 27 25.272 1.951 0.838 0.609 0.923 0.423 CB 1.351 27 residues pruned to eliminate duplicates Z: 6 6.416 2.126 0.199 0.819 1.000 0.800 CB 0.853 6 residues pruned to eliminate duplicates Z: 8 13.065 1.975 0.421 0.759 1.000 0.286 CB 1.397 8 residues pruned to eliminate duplicates Z: 26 15.738 1.966 0.552 0.456 0.920 0.560 CB 1.173 25 residues pruned to eliminate duplicates Z: 11 27.071 2.119 0.754 0.925 1.000 0.900 CA 1.617 11 residues pruned to eliminate duplicates Z: 22 16.413 2.033 0.449 0.473 0.905 0.714 CB 1.382 22 residues pruned to eliminate duplicates Z: 52 32.740 2.104 0.438 0.524 0.922 0.529 CB 1.606 52 residues pruned to eliminate duplicates Z: 35 35.663 2.138 0.712 0.612 0.941 0.735 CB 1.596 35 residues pruned to eliminate duplicates Z: 8 14.673 1.997 0.586 0.809 0.857 0.429 CA 1.561 8 residues pruned to eliminate duplicates Z: 12 16.961 2.023 1.079 0.529 0.909 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 29 23.030 2.051 0.767 0.523 0.893 0.571 CB 1.314 26 residues pruned to eliminate duplicates Z: 8 6.462 1.899 -0.027 0.461 1.000 0.571 CB 1.375 6 residues pruned to eliminate duplicates Z: 13 14.525 2.014 0.542 0.435 0.917 0.750 CA 1.575 5 residues pruned to eliminate duplicates Z: 8 4.044 1.414 0.582 0.543 0.857 0.714 CB 0.765 8 residues pruned to eliminate duplicates 6 0.994 1.073 -0.010 0.460 0.800 0.400 N 0.545 ? Z: 6 2.719 1.471 0.330 0.300 0.800 0.600 O 0.971 Z: 77 42.543 2.170 0.590 0.563 0.908 0.592 CB 1.465 77 residues pruned to eliminate duplicates Z: 27 20.204 1.865 0.445 0.548 1.000 0.654 CB 1.402 31 residues pruned to eliminate duplicates Z: 45 36.596 2.223 0.758 0.538 0.909 0.659 CB 1.496 45 residues pruned to eliminate duplicates Z: 34 36.736 2.191 0.658 0.632 0.970 0.788 CB 1.604 34 residues pruned to eliminate duplicates Z: 35 28.709 2.142 0.727 0.495 0.882 0.588 CB 1.516 35 residues pruned to eliminate duplicates Z: 13 18.894 1.945 0.686 0.874 0.917 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 9 2.772 1.559 0.040 0.280 0.750 0.375 CB 1.033 Z: 23 25.529 2.264 0.717 0.474 0.909 0.636 CB 1.582 23 residues pruned to eliminate duplicates Z: 31 25.535 2.133 0.588 0.520 0.867 0.667 CB 1.556 31 residues pruned to eliminate duplicates Z: 19 10.844 1.867 0.497 0.413 0.889 0.389 CB 1.126 19 residues pruned to eliminate duplicates Z: 7 9.701 1.928 0.061 0.776 1.000 0.833 O 1.517 7 residues pruned to eliminate duplicates Z: 23 21.990 2.098 0.781 0.467 0.955 0.545 CB 1.360 23 residues pruned to eliminate duplicates Z: 12 14.253 2.109 0.432 0.472 0.909 0.636 CB 1.611 12 residues pruned to eliminate duplicates Z: 6 2.188 1.655 -0.155 0.299 0.800 0.800 CB 1.095 Z: 10 5.619 1.729 -0.301 0.699 0.889 0.556 CB 1.455 10 residues pruned to eliminate duplicates Z: 17 16.887 2.041 0.646 0.493 0.875 0.562 CA 1.446 19 residues pruned to eliminate duplicates Z: 20 18.166 1.949 0.172 0.821 0.947 0.842 CB 1.458 20 residues pruned to eliminate duplicates Z: 13 8.903 1.730 0.663 0.503 0.750 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 10 8.759 1.900 0.465 0.353 0.889 0.778 CA 1.384 11 residues pruned to eliminate duplicates Z: 9 5.040 1.711 0.335 0.340 0.875 0.500 CA 1.061 8 residues pruned to eliminate duplicates Z: 38 31.068 2.131 0.662 0.553 0.919 0.649 CB 1.491 38 residues pruned to eliminate duplicates Z: 6 6.775 2.064 0.529 0.819 1.000 0.400 CB 0.728 6 residues pruned to eliminate duplicates Z: 83 43.770 2.130 0.654 0.545 0.902 0.634 CB 1.455 83 residues pruned to eliminate duplicates Z: 35 25.631 2.051 0.453 0.548 0.971 0.676 CB 1.449 35 residues pruned to eliminate duplicates Z: 14 15.442 2.075 0.547 0.558 0.846 0.692 CB 1.491 14 residues pruned to eliminate duplicates Z: 21 15.494 1.888 0.481 0.556 0.850 0.500 CB 1.380 21 residues pruned to eliminate duplicates Z: 14 10.505 1.874 0.347 0.480 0.923 0.462 CA 1.277 14 residues pruned to eliminate duplicates Z: 78 49.326 2.161 0.726 0.573 0.948 0.597 CB 1.482 78 residues pruned to eliminate duplicates Z: 32 12.338 2.011 0.427 0.309 0.774 0.484 CB 1.233 32 residues pruned to eliminate duplicates Z: 7 9.669 1.961 0.325 0.767 1.000 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 8 6.732 1.637 -0.086 0.814 1.000 0.857 CB 1.294 8 residues pruned to eliminate duplicates Z: 64 35.418 2.143 0.404 0.573 0.921 0.667 CB 1.501 64 residues pruned to eliminate duplicates Z: 17 30.372 2.148 1.119 0.557 1.000 0.750 CB 1.578 17 residues pruned to eliminate duplicates 6 1.511 1.706 0.170 0.303 0.400 0.400 CB 1.053 ? Z: 50 34.715 2.149 0.684 0.505 0.898 0.633 CB 1.519 50 residues pruned to eliminate duplicates Z: 18 16.311 2.014 0.471 0.520 0.941 0.529 CA 1.392 18 residues pruned to eliminate duplicates Z: 10 7.736 1.600 0.432 0.885 0.889 0.556 CB 0.914 10 residues pruned to eliminate duplicates Z: 90 58.561 2.216 0.788 0.583 0.955 0.685 CB 1.515 90 residues pruned to eliminate duplicates Z: 32 17.242 2.022 0.471 0.385 0.935 0.516 CB 1.257 32 residues pruned to eliminate duplicates Z: 81 50.826 2.165 0.770 0.587 0.925 0.688 CB 1.474 81 residues pruned to eliminate duplicates Z: 15 9.420 1.823 0.142 0.480 1.000 0.429 CB 1.234 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 14.088 2.104 0.429 0.318 0.944 0.444 CB 1.430 16 residues pruned to eliminate duplicates Z: 6 2.656 1.643 0.589 0.279 0.600 0.400 CA 0.974 6 residues pruned to eliminate duplicates Z: 8 6.736 2.001 0.236 0.310 0.857 0.429 CB 1.482 8 residues pruned to eliminate duplicates Z: 17 20.962 2.124 0.721 0.464 0.938 0.812 CA 1.587 19 residues pruned to eliminate duplicates Z: 6 5.231 1.650 1.129 0.303 0.800 0.600 CA 1.037 6 residues pruned to eliminate duplicates Z: 15 14.478 1.932 0.468 0.557 0.929 0.429 CA 1.391 15 residues pruned to eliminate duplicates Z: 12 18.763 2.198 0.483 0.610 1.000 0.545 CA 1.563 12 residues pruned to eliminate duplicates Z: 21 16.505 2.036 0.682 0.428 0.850 0.500 CB 1.368 18 residues pruned to eliminate duplicates Z: 7 5.609 1.489 0.407 0.438 1.000 0.333 CA 1.165 7 residues pruned to eliminate duplicates Z: 19 12.977 2.029 0.411 0.403 0.889 0.611 CB 1.332 19 residues pruned to eliminate duplicates Z: 16 13.474 2.002 0.539 0.540 0.867 0.600 CA 1.253 16 residues pruned to eliminate duplicates Z: 23 16.914 2.059 0.366 0.593 0.909 0.591 CB 1.290 23 residues pruned to eliminate duplicates Z: 29 18.279 1.954 0.620 0.461 0.893 0.571 CB 1.271 29 residues pruned to eliminate duplicates Z: 11 9.647 2.034 0.246 0.647 0.800 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 16 8.074 1.990 0.143 0.492 0.800 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 17 9.922 1.992 0.188 0.485 0.938 0.500 CB 1.134 17 residues pruned to eliminate duplicates Z: 28 18.251 2.084 0.484 0.513 0.852 0.519 CB 1.316 28 residues pruned to eliminate duplicates Z: 27 18.302 2.118 0.562 0.512 0.808 0.538 CB 1.326 27 residues pruned to eliminate duplicates Z: 33 18.441 2.037 0.524 0.446 0.875 0.594 CB 1.269 33 residues pruned to eliminate duplicates Z: 27 20.680 2.108 0.673 0.500 0.885 0.615 CB 1.300 28 residues pruned to eliminate duplicates Z: 10 9.849 1.846 0.404 0.674 0.889 0.333 CB 1.215 10 residues pruned to eliminate duplicates Z: 18 9.961 2.002 0.426 0.490 0.824 0.471 CB 1.038 18 residues pruned to eliminate duplicates Z: 17 14.185 2.029 0.539 0.497 0.938 0.562 CB 1.214 17 residues pruned to eliminate duplicates Z: 10 9.745 1.631 0.364 0.918 1.000 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 22 21.308 1.984 0.542 0.682 0.952 0.571 CB 1.351 22 residues pruned to eliminate duplicates Z: 9 8.663 1.687 0.394 0.866 0.875 0.500 CB 1.090 9 residues pruned to eliminate duplicates Z: 26 16.888 1.825 0.588 0.588 0.920 0.560 CB 1.164 26 residues pruned to eliminate duplicates Z: 12 8.411 1.677 0.427 0.666 0.909 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 24 16.058 1.880 0.494 0.588 0.913 0.478 CB 1.199 24 residues pruned to eliminate duplicates Z: 22 20.305 1.977 0.612 0.693 0.952 0.714 CB 1.224 22 residues pruned to eliminate duplicates Z: 23 16.568 1.928 0.539 0.630 0.864 0.636 CB 1.220 23 residues pruned to eliminate duplicates Z: 50 34.463 2.124 0.618 0.523 0.959 0.592 CB 1.459 50 residues pruned to eliminate duplicates Z: 49 35.623 2.144 0.619 0.520 0.979 0.646 CB 1.483 49 residues pruned to eliminate duplicates Z: 39 20.377 1.968 0.700 0.390 0.842 0.579 CB 1.319 39 residues pruned to eliminate duplicates Z: 48 34.491 2.131 0.668 0.505 0.957 0.660 CB 1.472 48 residues pruned to eliminate duplicates Z: 20 13.492 1.876 0.653 0.499 0.789 0.632 CB 1.266 20 residues pruned to eliminate duplicates Z: 22 21.647 1.971 0.618 0.693 1.000 0.714 CB 1.242 22 residues pruned to eliminate duplicates Z: 12 20.142 2.230 0.751 0.563 0.909 0.545 CA 1.609 12 residues pruned to eliminate duplicates Z: 92 43.113 2.076 0.614 0.544 0.890 0.582 CB 1.451 92 residues pruned to eliminate duplicates Z: 30 29.431 2.229 0.786 0.439 0.966 0.517 CB 1.514 30 residues pruned to eliminate duplicates Z: 23 18.641 1.928 0.660 0.545 1.000 0.636 CB 1.189 23 residues pruned to eliminate duplicates Z: 49 32.274 2.090 0.537 0.499 1.000 0.542 CB 1.451 49 residues pruned to eliminate duplicates Z: 41 33.263 2.184 0.695 0.503 0.950 0.600 CB 1.491 41 residues pruned to eliminate duplicates Z: 49 31.670 2.133 0.547 0.522 0.958 0.583 CB 1.414 49 residues pruned to eliminate duplicates Z: 80 41.966 2.088 0.535 0.533 0.937 0.506 CB 1.522 80 residues pruned to eliminate duplicates Z: 50 31.781 2.094 0.598 0.485 0.939 0.571 CB 1.467 50 residues pruned to eliminate duplicates Z: 46 35.881 2.172 0.591 0.556 0.978 0.533 CB 1.500 46 residues pruned to eliminate duplicates Z: 80 45.380 2.149 0.568 0.563 0.911 0.620 CB 1.564 80 residues pruned to eliminate duplicates Z: 48 31.590 2.143 0.533 0.515 0.957 0.511 CB 1.442 48 residues pruned to eliminate duplicates Z: 49 27.783 2.122 0.610 0.489 0.833 0.521 CB 1.425 49 residues pruned to eliminate duplicates Z: 73 49.159 2.194 0.644 0.573 0.931 0.556 CB 1.608 73 residues pruned to eliminate duplicates Z: 86 42.638 2.070 0.581 0.538 0.941 0.541 CB 1.447 86 residues pruned to eliminate duplicates Z: 6 7.938 1.883 0.625 0.417 1.000 0.400 CB 1.264 6 residues pruned to eliminate duplicates Z: 49 31.428 2.107 0.566 0.498 0.958 0.562 CB 1.438 49 residues pruned to eliminate duplicates Z: 49 31.948 2.144 0.524 0.508 0.958 0.604 CB 1.462 49 residues pruned to eliminate duplicates Z: 77 41.682 2.124 0.510 0.542 0.947 0.645 CB 1.510 77 residues pruned to eliminate duplicates Z: 80 47.729 2.160 0.555 0.578 0.962 0.582 CB 1.542 80 residues pruned to eliminate duplicates Z: 18 15.284 2.118 0.357 0.467 0.941 0.529 CB 1.417 18 residues pruned to eliminate duplicates Z: 87 35.032 2.024 0.511 0.469 0.930 0.488 CB 1.371 87 residues pruned to eliminate duplicates Z: 28 22.125 2.205 0.559 0.434 0.889 0.556 CB 1.491 28 residues pruned to eliminate duplicates Z: 51 27.383 2.061 0.485 0.477 0.940 0.600 CB 1.377 51 residues pruned to eliminate duplicates Z: 47 30.109 2.143 0.521 0.492 0.957 0.522 CB 1.435 47 residues pruned to eliminate duplicates Z: 49 30.275 2.117 0.605 0.520 0.917 0.521 CB 1.375 49 residues pruned to eliminate duplicates Z: 60 42.208 2.204 0.576 0.560 0.915 0.627 CB 1.631 60 residues pruned to eliminate duplicates Z: 79 44.422 2.171 0.548 0.556 0.910 0.564 CB 1.557 79 residues pruned to eliminate duplicates Z: 100 42.324 2.035 0.441 0.545 0.960 0.586 CB 1.446 100 residues pruned to eliminate duplicates Z: 73 39.631 2.188 0.574 0.486 0.861 0.556 CB 1.597 73 residues pruned to eliminate duplicates Z: 80 51.764 2.165 0.611 0.618 0.975 0.620 CB 1.533 80 residues pruned to eliminate duplicates Z: 6 4.338 1.485 0.603 0.280 0.800 0.400 N 1.306 6 residues pruned to eliminate duplicates Z: 37 31.964 2.080 0.484 0.635 0.972 0.611 CA 1.565 37 residues pruned to eliminate duplicates Z: 38 30.305 2.091 0.429 0.664 0.919 0.568 CA 1.559 38 residues pruned to eliminate duplicates Z: 38 32.450 2.092 0.455 0.658 0.973 0.676 CA 1.556 38 residues pruned to eliminate duplicates Z: 37 34.683 2.137 0.608 0.668 0.917 0.694 CA 1.572 37 residues pruned to eliminate duplicates Z: 38 37.688 2.125 0.594 0.686 0.973 0.676 CB 1.585 38 residues pruned to eliminate duplicates Z: 49 29.626 1.983 0.543 0.546 0.917 0.562 CB 1.457 49 residues pruned to eliminate duplicates Z: 37 35.258 2.106 0.607 0.635 0.972 0.556 CA 1.574 37 residues pruned to eliminate duplicates Z: 36 32.608 2.131 0.576 0.644 0.886 0.400 CA 1.619 36 residues pruned to eliminate duplicates Z: 38 35.662 2.082 0.609 0.673 0.973 0.514 CA 1.534 38 residues pruned to eliminate duplicates Z: 41 35.995 2.091 0.629 0.629 0.950 0.575 CA 1.557 41 residues pruned to eliminate duplicates Z: 35 28.815 2.106 0.650 0.630 0.794 0.412 CB 1.584 35 residues pruned to eliminate duplicates Z: 38 35.353 2.048 0.708 0.670 0.946 0.405 CB 1.501 38 residues pruned to eliminate duplicates Z: 38 34.631 2.101 0.662 0.686 0.892 0.459 CB 1.542 38 residues pruned to eliminate duplicates Z: 59 44.377 2.180 0.646 0.597 0.931 0.534 CB 1.590 59 residues pruned to eliminate duplicates Z: 23 32.079 2.216 0.760 0.732 0.909 0.636 CA 1.566 23 residues pruned to eliminate duplicates Z: 51 35.711 2.031 0.574 0.622 0.980 0.500 CB 1.436 51 residues pruned to eliminate duplicates Z: 29 34.480 2.203 0.640 0.661 0.964 0.679 CA 1.612 29 residues pruned to eliminate duplicates Z: 38 34.737 2.100 0.725 0.592 0.892 0.514 CA 1.618 38 residues pruned to eliminate duplicates Z: 38 32.826 2.065 0.733 0.606 0.919 0.378 CB 1.484 38 residues pruned to eliminate duplicates Z: 37 33.736 2.102 0.593 0.621 0.972 0.500 CA 1.540 37 residues pruned to eliminate duplicates Z: 81 45.783 2.127 0.576 0.580 0.938 0.525 CB 1.509 81 residues pruned to eliminate duplicates Z: 18 10.008 1.838 0.177 0.476 0.941 0.412 CB 1.223 18 residues pruned to eliminate duplicates Z: 45 38.727 2.077 0.720 0.637 0.977 0.682 CB 1.471 45 residues pruned to eliminate duplicates Z: 83 47.264 2.109 0.566 0.564 0.976 0.549 CB 1.522 83 residues pruned to eliminate duplicates Z: 15 11.477 1.863 0.243 0.518 1.000 0.500 CB 1.301 15 residues pruned to eliminate duplicates Z: 38 30.202 2.098 0.562 0.633 0.892 0.568 CB 1.500 38 residues pruned to eliminate duplicates Z: 27 12.273 1.722 0.361 0.473 0.885 0.385 CB 1.193 27 residues pruned to eliminate duplicates Z: 36 34.461 2.106 0.635 0.645 0.971 0.571 CB 1.521 36 residues pruned to eliminate duplicates Z: 38 36.492 2.105 0.630 0.642 0.973 0.649 CA 1.573 38 residues pruned to eliminate duplicates Z: 52 33.063 2.025 0.662 0.600 0.882 0.510 CB 1.418 52 residues pruned to eliminate duplicates Z: 89 42.226 2.058 0.618 0.524 0.920 0.534 CB 1.435 89 residues pruned to eliminate duplicates Z: 25 12.661 1.852 0.398 0.437 0.833 0.542 CB 1.279 25 residues pruned to eliminate duplicates Z: 15 9.779 1.693 0.424 0.514 0.857 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 8 6.910 1.682 0.410 0.565 0.857 0.714 N 1.206 8 residues pruned to eliminate duplicates Z: 12 7.903 1.555 0.312 0.600 0.909 0.636 CB 1.168 12 residues pruned to eliminate duplicates Z: 16 7.759 1.531 0.376 0.552 0.867 0.533 CB 1.043 16 residues pruned to eliminate duplicates Z: 12 9.182 1.743 0.704 0.453 0.818 0.545 CB 1.196 12 residues pruned to eliminate duplicates Z: 12 11.505 1.705 0.620 0.569 0.909 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 13 14.823 1.947 0.531 0.554 1.000 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 15 10.577 1.760 0.398 0.532 0.929 0.643 CB 1.199 15 residues pruned to eliminate duplicates Z: 13 6.239 1.775 0.258 0.291 0.750 0.500 CB 1.359 13 residues pruned to eliminate duplicates Z: 16 10.151 1.766 0.479 0.445 0.933 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 19 12.836 1.798 0.411 0.482 0.889 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 13 12.639 1.878 0.333 0.520 1.000 0.583 CA 1.429 13 residues pruned to eliminate duplicates Z: 15 7.979 1.656 0.718 0.429 0.714 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 30 26.755 2.020 0.635 0.529 0.966 0.724 CB 1.514 30 residues pruned to eliminate duplicates Z: 34 32.808 2.121 0.651 0.614 0.970 0.727 CB 1.509 34 residues pruned to eliminate duplicates Z: 21 34.117 2.200 0.787 0.665 1.000 0.700 CB 1.665 21 residues pruned to eliminate duplicates Z: 23 30.247 2.188 0.711 0.633 0.955 0.636 CB 1.593 23 residues pruned to eliminate duplicates Z: 21 34.547 2.266 0.745 0.641 1.000 0.800 CB 1.713 21 residues pruned to eliminate duplicates Z: 22 35.521 2.201 0.889 0.660 1.000 0.714 CB 1.607 22 residues pruned to eliminate duplicates Z: 23 31.570 2.189 0.714 0.648 1.000 0.773 CB 1.563 23 residues pruned to eliminate duplicates Z: 37 30.058 2.059 0.578 0.569 0.972 0.694 CB 1.483 37 residues pruned to eliminate duplicates Z: 22 35.549 2.215 0.776 0.652 1.000 0.762 CB 1.712 22 residues pruned to eliminate duplicates Z: 22 32.479 2.213 0.684 0.623 1.000 0.714 CB 1.694 22 residues pruned to eliminate duplicates Z: 21 34.075 2.254 0.744 0.655 1.000 0.750 CB 1.678 21 residues pruned to eliminate duplicates Z: 35 27.810 2.062 0.541 0.592 0.971 0.765 CB 1.416 35 residues pruned to eliminate duplicates Z: 37 29.143 2.053 0.502 0.605 0.972 0.778 CB 1.466 37 residues pruned to eliminate duplicates Z: 13 19.255 2.228 0.874 0.444 1.000 0.750 CB 1.411 13 residues pruned to eliminate duplicates Z: 12 24.398 2.270 1.029 0.509 1.000 0.727 CB 1.583 12 residues pruned to eliminate duplicates Z: 22 26.463 2.155 0.587 0.612 0.952 0.810 CB 1.594 22 residues pruned to eliminate duplicates Z: 22 29.402 2.182 0.575 0.678 0.952 0.762 CB 1.665 22 residues pruned to eliminate duplicates Z: 12 20.585 2.240 0.870 0.437 1.000 0.818 CB 1.581 12 residues pruned to eliminate duplicates Z: 12 20.497 2.248 0.931 0.428 1.000 0.727 CB 1.534 12 residues pruned to eliminate duplicates Z: 12 21.375 2.278 0.830 0.491 1.000 0.818 CB 1.561 12 residues pruned to eliminate duplicates Z: 12 21.160 2.258 0.912 0.475 1.000 0.636 CB 1.516 12 residues pruned to eliminate duplicates Z: 25 18.760 2.069 0.476 0.477 0.917 0.750 CB 1.400 25 residues pruned to eliminate duplicates Z: 40 29.319 2.017 0.583 0.581 0.974 0.744 CB 1.397 40 residues pruned to eliminate duplicates Z: 13 13.874 1.968 0.539 0.582 0.917 0.750 CB 1.333 13 residues pruned to eliminate duplicates Z: 12 13.706 2.014 0.366 0.609 1.000 0.909 CB 1.355 12 residues pruned to eliminate duplicates Z: 17 10.823 1.846 0.298 0.537 0.875 0.688 CB 1.245 17 residues pruned to eliminate duplicates Z: 24 21.994 2.102 0.681 0.475 0.957 0.739 CB 1.391 24 residues pruned to eliminate duplicates Z: 12 15.466 1.973 0.517 0.626 0.909 0.818 CA 1.522 12 residues pruned to eliminate duplicates Z: 37 32.458 2.060 0.648 0.606 1.000 0.806 CB 1.440 37 residues pruned to eliminate duplicates Z: 12 13.711 1.978 0.483 0.558 1.000 0.818 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 10.352 1.909 0.532 0.582 0.833 0.750 CB 1.133 13 residues pruned to eliminate duplicates Z: 17 13.116 1.881 0.336 0.539 0.938 0.688 CB 1.340 17 residues pruned to eliminate duplicates Z: 35 31.621 2.129 0.528 0.596 1.000 0.735 CB 1.520 35 residues pruned to eliminate duplicates Z: 35 29.268 2.130 0.446 0.572 1.000 0.735 CB 1.520 35 residues pruned to eliminate duplicates Z: 12 14.330 2.061 0.369 0.497 1.000 0.909 CB 1.536 12 residues pruned to eliminate duplicates Z: 14 9.430 1.935 0.330 0.447 0.923 0.615 CB 1.163 14 residues pruned to eliminate duplicates Z: 13 16.669 2.074 0.542 0.516 1.000 0.750 CB 1.481 13 residues pruned to eliminate duplicates Z: 22 15.210 1.981 0.465 0.423 0.952 0.667 CB 1.300 21 residues pruned to eliminate duplicates 6 1.587 1.766 0.399 0.357 0.600 0.600 CB 0.559 ? Z: 6 6.099 1.609 0.850 0.404 0.800 0.600 CB 1.267 6 residues pruned to eliminate duplicates Z: 9 17.389 2.208 0.744 0.654 0.875 0.875 CB 1.581 10 residues pruned to eliminate duplicates Z: 6 2.295 1.366 0.346 0.456 0.800 0.600 CB 0.730 4 residues pruned to eliminate duplicates Z: 13 25.150 2.109 0.596 0.887 1.000 0.917 CA 1.556 13 residues pruned to eliminate duplicates Z: 135 64.338 2.182 0.707 0.556 0.910 0.694 CB 1.551 139 residues pruned to eliminate duplicates Z: 13 28.995 2.141 0.713 0.930 1.000 1.000 CA 1.596 12 residues pruned to eliminate duplicates Z: 13 31.465 2.142 0.936 0.898 1.000 1.000 CA 1.567 13 residues pruned to eliminate duplicates Z: 23 36.669 2.166 1.144 0.665 0.909 0.727 CB 1.590 23 residues pruned to eliminate duplicates Z: 33 44.979 2.250 0.919 0.655 1.000 0.812 CB 1.595 33 residues pruned to eliminate duplicates Z: 23 39.114 2.207 1.127 0.658 0.955 0.818 CB 1.606 23 residues pruned to eliminate duplicates Z: 34 38.544 2.201 0.783 0.653 0.939 0.758 CB 1.578 34 residues pruned to eliminate duplicates Z: 34 39.580 2.200 0.862 0.618 0.970 0.788 CB 1.551 34 residues pruned to eliminate duplicates Z: 23 37.995 2.248 1.053 0.694 0.955 0.818 CB 1.540 24 residues pruned to eliminate duplicates Z: 15 27.223 2.089 0.706 0.776 1.000 0.857 CA 1.599 15 residues pruned to eliminate duplicates Z: 53 32.644 2.095 0.738 0.540 0.904 0.731 CB 1.322 48 residues pruned to eliminate duplicates Z: 6 11.960 2.207 0.628 0.431 1.000 0.800 CA 1.599 6 residues pruned to eliminate duplicates Z: 36 36.447 2.105 0.771 0.570 0.971 0.629 CB 1.589 36 residues pruned to eliminate duplicates Z: 34 37.275 2.193 0.745 0.617 0.939 0.788 CB 1.616 34 residues pruned to eliminate duplicates Z: 34 40.077 2.185 0.870 0.614 0.970 0.727 CB 1.581 34 residues pruned to eliminate duplicates Z: 6 6.151 1.580 0.658 0.339 1.000 0.400 N 1.252 Z: 6 6.434 1.784 0.718 0.380 1.000 0.800 CA 1.067 6 residues pruned to eliminate duplicates Z: 32 37.844 2.251 0.855 0.597 0.903 0.774 CB 1.643 39 residues pruned to eliminate duplicates Z: 6 3.435 1.709 0.438 0.420 0.800 0.600 CB 0.849 6 residues pruned to eliminate duplicates Z: 34 29.488 2.141 0.580 0.597 0.909 0.727 CB 1.521 34 residues pruned to eliminate duplicates Z: 36 24.797 2.078 0.501 0.542 0.886 0.514 CB 1.457 36 residues pruned to eliminate duplicates Z: 35 28.211 2.125 0.570 0.576 0.912 0.676 CB 1.478 35 residues pruned to eliminate duplicates Z: 58 43.009 2.233 0.707 0.541 0.912 0.667 CB 1.573 58 residues pruned to eliminate duplicates Z: 107 59.241 2.207 0.717 0.560 0.915 0.679 CB 1.566 107 residues pruned to eliminate duplicates Z: 106 57.054 2.216 0.647 0.561 0.933 0.657 CB 1.540 106 residues pruned to eliminate duplicates Z: 34 28.823 2.157 0.589 0.566 0.909 0.606 CB 1.511 34 residues pruned to eliminate duplicates Z: 22 15.635 2.099 0.575 0.438 0.762 0.524 CB 1.443 22 residues pruned to eliminate duplicates Z: 68 47.264 2.148 0.739 0.602 0.955 0.761 CB 1.469 68 residues pruned to eliminate duplicates Z: 30 19.371 2.046 0.599 0.455 0.897 0.690 CB 1.284 30 residues pruned to eliminate duplicates Z: 57 43.929 2.227 0.740 0.527 0.946 0.625 CB 1.559 57 residues pruned to eliminate duplicates Z: 19 11.765 1.998 0.547 0.481 0.833 0.667 CB 1.097 19 residues pruned to eliminate duplicates Z: 97 58.406 2.232 0.653 0.579 0.938 0.688 CB 1.597 97 residues pruned to eliminate duplicates Z: 69 40.707 2.165 0.662 0.492 0.956 0.618 CB 1.446 69 residues pruned to eliminate duplicates Z: 112 55.564 2.191 0.629 0.548 0.910 0.667 CB 1.550 112 residues pruned to eliminate duplicates Z: 59 39.789 2.224 0.707 0.527 0.897 0.621 CB 1.495 59 residues pruned to eliminate duplicates Z: 35 27.882 2.117 0.575 0.575 0.941 0.559 CB 1.417 35 residues pruned to eliminate duplicates Z: 129 53.738 2.185 0.524 0.527 0.922 0.625 CB 1.507 129 residues pruned to eliminate duplicates Z: 46 32.274 2.219 0.566 0.522 0.889 0.667 CB 1.523 46 residues pruned to eliminate duplicates Z: 36 27.176 2.093 0.685 0.553 0.857 0.600 CB 1.443 36 residues pruned to eliminate duplicates Z: 62 42.818 2.224 0.695 0.528 0.918 0.721 CB 1.541 62 residues pruned to eliminate duplicates Z: 112 55.919 2.192 0.609 0.555 0.919 0.685 CB 1.552 112 residues pruned to eliminate duplicates Z: 40 33.645 2.171 0.748 0.512 0.923 0.615 CB 1.520 40 residues pruned to eliminate duplicates Z: 90 45.857 2.154 0.652 0.514 0.899 0.618 CB 1.499 90 residues pruned to eliminate duplicates Z: 89 54.360 2.198 0.733 0.551 0.943 0.659 CB 1.535 89 residues pruned to eliminate duplicates Z: 52 32.125 2.156 0.667 0.468 0.882 0.647 CB 1.466 52 residues pruned to eliminate duplicates Z: 106 56.623 2.208 0.642 0.544 0.943 0.648 CB 1.549 106 residues pruned to eliminate duplicates Z: 105 55.749 2.207 0.606 0.566 0.933 0.692 CB 1.551 105 residues pruned to eliminate duplicates Z: 49 33.481 2.219 0.647 0.487 0.896 0.625 CB 1.495 49 residues pruned to eliminate duplicates Z: 90 49.310 2.196 0.711 0.498 0.910 0.607 CB 1.531 90 residues pruned to eliminate duplicates Z: 115 53.210 2.174 0.592 0.539 0.904 0.658 CB 1.533 115 residues pruned to eliminate duplicates Z: 66 43.143 2.177 0.707 0.484 0.908 0.615 CB 1.613 66 residues pruned to eliminate duplicates Z: 127 59.166 2.204 0.661 0.536 0.929 0.651 CB 1.497 127 residues pruned to eliminate duplicates Z: 135 51.119 2.161 0.546 0.490 0.903 0.597 CB 1.478 135 residues pruned to eliminate duplicates Z: 53 34.274 2.138 0.691 0.492 0.885 0.635 CB 1.499 53 residues pruned to eliminate duplicates Z: 105 55.415 2.207 0.694 0.559 0.885 0.663 CB 1.551 105 residues pruned to eliminate duplicates Z: 103 47.066 2.140 0.671 0.491 0.902 0.598 CB 1.459 103 residues pruned to eliminate duplicates Z: 88 46.934 2.182 0.668 0.529 0.908 0.655 CB 1.481 88 residues pruned to eliminate duplicates Z: 41 30.884 2.168 0.673 0.475 0.925 0.650 CB 1.493 41 residues pruned to eliminate duplicates Z: 134 56.085 2.191 0.601 0.532 0.917 0.639 CB 1.464 134 residues pruned to eliminate duplicates Z: 57 45.907 2.246 0.753 0.542 0.964 0.661 CB 1.551 57 residues pruned to eliminate duplicates Z: 57 44.955 2.255 0.698 0.542 0.964 0.607 CB 1.561 57 residues pruned to eliminate duplicates Z: 59 39.941 2.223 0.674 0.519 0.914 0.552 CB 1.514 59 residues pruned to eliminate duplicates Z: 51 39.740 2.229 0.670 0.553 0.960 0.660 CB 1.494 51 residues pruned to eliminate duplicates Z: 106 53.292 2.207 0.561 0.553 0.933 0.648 CB 1.537 106 residues pruned to eliminate duplicates Z: 81 50.980 2.218 0.759 0.546 0.913 0.675 CB 1.531 81 residues pruned to eliminate duplicates Z: 118 60.101 2.188 0.654 0.553 0.957 0.709 CB 1.523 118 residues pruned to eliminate duplicates Z: 89 51.810 2.234 0.599 0.532 0.932 0.602 CB 1.607 89 residues pruned to eliminate duplicates Z: 61 41.282 2.217 0.728 0.486 0.933 0.617 CB 1.512 61 residues pruned to eliminate duplicates Z: 106 57.962 2.219 0.622 0.560 0.952 0.676 CB 1.558 106 residues pruned to eliminate duplicates Z: 113 59.390 2.222 0.658 0.553 0.929 0.679 CB 1.557 113 residues pruned to eliminate duplicates Z: 55 34.780 2.186 0.668 0.489 0.889 0.667 CB 1.476 55 residues pruned to eliminate duplicates Z: 112 60.358 2.196 0.684 0.569 0.928 0.595 CB 1.562 112 residues pruned to eliminate duplicates Z: 105 56.833 2.198 0.698 0.550 0.923 0.663 CB 1.539 105 residues pruned to eliminate duplicates Z: 117 58.437 2.216 0.632 0.548 0.922 0.655 CB 1.552 117 residues pruned to eliminate duplicates Z: 105 58.358 2.221 0.671 0.568 0.933 0.663 CB 1.547 105 residues pruned to eliminate duplicates Z: 128 55.571 2.195 0.601 0.535 0.906 0.677 CB 1.497 128 residues pruned to eliminate duplicates Z: 107 54.125 2.207 0.545 0.552 0.943 0.689 CB 1.555 107 residues pruned to eliminate duplicates Z: 84 53.364 2.259 0.548 0.571 0.952 0.699 CB 1.643 84 residues pruned to eliminate duplicates Z: 97 54.949 2.205 0.628 0.586 0.927 0.677 CB 1.552 97 residues pruned to eliminate duplicates Z: 87 56.187 2.206 0.692 0.564 0.953 0.709 CB 1.600 87 residues pruned to eliminate duplicates Z: 58 34.610 2.026 0.585 0.567 0.930 0.667 CB 1.439 58 residues pruned to eliminate duplicates Z: 85 54.763 2.242 0.619 0.564 0.929 0.690 CB 1.666 85 residues pruned to eliminate duplicates Z: 51 41.588 2.191 0.557 0.631 0.960 0.740 CB 1.589 51 residues pruned to eliminate duplicates Z: 97 55.483 2.222 0.613 0.580 0.948 0.646 CB 1.544 97 residues pruned to eliminate duplicates Z: 53 37.135 2.119 0.570 0.627 0.942 0.788 CB 1.458 53 residues pruned to eliminate duplicates Z: 94 56.706 2.219 0.604 0.614 0.957 0.763 CB 1.549 94 residues pruned to eliminate duplicates Z: 117 60.075 2.216 0.655 0.549 0.914 0.629 CB 1.587 117 residues pruned to eliminate duplicates Z: 59 38.235 2.126 0.543 0.594 0.948 0.638 CB 1.476 59 residues pruned to eliminate duplicates Z: 129 56.196 2.161 0.566 0.540 0.945 0.609 CB 1.493 129 residues pruned to eliminate duplicates Z: 98 59.081 2.189 0.771 0.595 0.959 0.722 CB 1.474 98 residues pruned to eliminate duplicates Z: 53 43.936 2.139 0.696 0.635 0.981 0.712 CB 1.509 53 residues pruned to eliminate duplicates Z: 51 44.466 2.183 0.714 0.628 0.960 0.720 CB 1.551 51 residues pruned to eliminate duplicates Z: 105 58.731 2.197 0.698 0.605 0.923 0.702 CB 1.514 105 residues pruned to eliminate duplicates Z: 47 42.512 2.195 0.780 0.624 0.913 0.674 CB 1.564 47 residues pruned to eliminate duplicates Z: 87 59.398 2.235 0.773 0.580 0.942 0.674 CB 1.589 87 residues pruned to eliminate duplicates Z: 84 59.350 2.245 0.749 0.587 0.940 0.675 CB 1.624 84 residues pruned to eliminate duplicates Z: 51 49.337 2.199 0.887 0.636 0.940 0.760 CB 1.574 51 residues pruned to eliminate duplicates Z: 59 35.270 2.089 0.502 0.576 0.914 0.672 CB 1.502 59 residues pruned to eliminate duplicates Z: 62 43.858 2.100 0.825 0.616 0.918 0.590 CB 1.431 62 residues pruned to eliminate duplicates Z: 96 59.529 2.214 0.788 0.577 0.916 0.716 CB 1.564 96 residues pruned to eliminate duplicates Z: 95 62.792 2.223 0.753 0.598 0.968 0.702 CB 1.563 95 residues pruned to eliminate duplicates Z: 52 45.707 2.158 0.945 0.621 0.922 0.667 CB 1.476 52 residues pruned to eliminate duplicates Z: 106 64.510 2.212 0.756 0.586 0.971 0.676 CB 1.536 106 residues pruned to eliminate duplicates Z: 52 41.681 2.154 0.741 0.631 0.922 0.667 CB 1.494 52 residues pruned to eliminate duplicates Z: 106 59.340 2.210 0.727 0.562 0.933 0.648 CB 1.530 106 residues pruned to eliminate duplicates Z: 127 63.008 2.191 0.726 0.557 0.921 0.563 CB 1.525 127 residues pruned to eliminate duplicates Z: 58 44.465 2.160 0.778 0.638 0.895 0.632 CB 1.506 58 residues pruned to eliminate duplicates Z: 97 57.505 2.202 0.713 0.587 0.938 0.677 CB 1.527 97 residues pruned to eliminate duplicates Z: 50 45.600 2.178 0.857 0.655 0.918 0.714 CB 1.518 50 residues pruned to eliminate duplicates Z: 106 64.437 2.205 0.810 0.607 0.952 0.724 CB 1.493 106 residues pruned to eliminate duplicates Z: 53 44.639 2.137 0.815 0.631 0.942 0.692 CB 1.496 53 residues pruned to eliminate duplicates Z: 52 42.222 2.161 0.836 0.617 0.882 0.686 CB 1.512 52 residues pruned to eliminate duplicates Z: 83 44.384 2.152 0.677 0.550 0.902 0.549 CB 1.434 83 residues pruned to eliminate duplicates Z: 128 61.442 2.192 0.669 0.563 0.937 0.669 CB 1.496 128 residues pruned to eliminate duplicates Z: 60 44.576 2.156 0.716 0.622 0.932 0.508 CB 1.500 60 residues pruned to eliminate duplicates Z: 106 63.218 2.210 0.766 0.594 0.943 0.733 CB 1.532 106 residues pruned to eliminate duplicates Z: 113 63.731 2.211 0.785 0.585 0.929 0.634 CB 1.515 113 residues pruned to eliminate duplicates Z: 54 42.030 2.098 0.846 0.614 0.906 0.604 CB 1.477 54 residues pruned to eliminate duplicates Z: 52 29.661 2.149 0.522 0.461 0.902 0.588 CB 1.465 52 residues pruned to eliminate duplicates Z: 166 69.592 2.199 0.688 0.549 0.933 0.636 CB 1.490 166 residues pruned to eliminate duplicates Z: 107 61.401 2.212 0.724 0.588 0.953 0.708 CB 1.509 107 residues pruned to eliminate duplicates Z: 50 45.423 2.172 0.840 0.624 0.939 0.673 CB 1.538 50 residues pruned to eliminate duplicates Z: 138 60.581 2.182 0.673 0.545 0.934 0.686 CB 1.452 138 residues pruned to eliminate duplicates Z: 92 42.551 2.174 0.591 0.497 0.890 0.626 CB 1.453 92 residues pruned to eliminate duplicates Z: 113 57.840 2.215 0.649 0.584 0.929 0.616 CB 1.487 113 residues pruned to eliminate duplicates Z: 60 50.676 2.153 0.790 0.650 0.966 0.627 CB 1.541 60 residues pruned to eliminate duplicates Z: 114 61.564 2.215 0.683 0.535 0.947 0.681 CB 1.585 114 residues pruned to eliminate duplicates Z: 82 46.708 2.182 0.698 0.555 0.914 0.568 CB 1.453 82 residues pruned to eliminate duplicates Z: 33 38.649 2.272 0.661 0.611 0.969 0.688 CB 1.681 33 residues pruned to eliminate duplicates Z: 106 59.193 2.225 0.694 0.566 0.952 0.667 CB 1.509 106 residues pruned to eliminate duplicates Z: 25 18.667 2.112 0.436 0.433 0.958 0.542 CB 1.405 25 residues pruned to eliminate duplicates Z: 134 62.457 2.200 0.679 0.551 0.940 0.662 CB 1.484 134 residues pruned to eliminate duplicates Z: 21 15.985 2.072 0.583 0.361 0.950 0.550 CB 1.331 21 residues pruned to eliminate duplicates Z: 39 18.294 2.043 0.424 0.365 0.842 0.553 CB 1.401 39 residues pruned to eliminate duplicates Z: 14 11.596 1.984 0.516 0.298 1.000 0.462 CB 1.339 14 residues pruned to eliminate duplicates Z: 58 36.093 2.187 0.570 0.501 0.930 0.579 CB 1.496 58 residues pruned to eliminate duplicates Z: 108 50.045 2.184 0.658 0.483 0.907 0.598 CB 1.499 108 residues pruned to eliminate duplicates Z: 25 12.330 2.008 0.570 0.316 0.833 0.375 CB 1.174 25 residues pruned to eliminate duplicates Z: 15 10.336 1.944 0.881 0.268 0.857 0.500 CB 1.147 15 residues pruned to eliminate duplicates Z: 57 29.606 2.114 0.566 0.424 0.893 0.571 CB 1.449 57 residues pruned to eliminate duplicates Z: 26 15.575 2.059 0.541 0.397 0.880 0.520 CB 1.244 26 residues pruned to eliminate duplicates Z: 15 9.478 1.903 0.610 0.343 0.929 0.500 CB 1.056 15 residues pruned to eliminate duplicates Z: 21 16.378 2.113 0.697 0.355 0.850 0.450 CB 1.406 21 residues pruned to eliminate duplicates Z: 30 13.250 1.998 0.444 0.284 0.828 0.483 CB 1.314 30 residues pruned to eliminate duplicates Z: 25 16.835 2.080 0.423 0.430 0.917 0.458 CB 1.362 25 residues pruned to eliminate duplicates Z: 20 16.914 2.137 0.557 0.466 0.842 0.632 CB 1.434 20 residues pruned to eliminate duplicates Z: 26 15.538 1.921 0.525 0.427 0.880 0.520 CB 1.300 26 residues pruned to eliminate duplicates Z: 25 18.643 2.105 0.511 0.438 0.917 0.500 CB 1.391 25 residues pruned to eliminate duplicates Z: 10 23.190 2.183 0.984 0.795 0.889 0.889 CB 1.550 10 residues pruned to eliminate duplicates Z: 10 16.264 2.042 0.857 0.639 0.889 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 9 21.905 2.170 0.813 0.723 1.000 0.750 CB 1.609 9 residues pruned to eliminate duplicates Z: 10 17.562 2.072 0.705 0.636 1.000 0.778 CB 1.459 10 residues pruned to eliminate duplicates Z: 10 15.294 2.035 0.608 0.631 1.000 0.667 CB 1.378 10 residues pruned to eliminate duplicates Z: 9 18.927 2.170 0.636 0.714 1.000 0.750 CB 1.553 9 residues pruned to eliminate duplicates Z: 10 16.408 2.023 0.864 0.606 1.000 0.889 CB 1.312 10 residues pruned to eliminate duplicates Z: 16 20.472 2.156 0.787 0.570 0.933 0.533 CB 1.374 16 residues pruned to eliminate duplicates Z: 14 20.606 2.064 0.556 0.646 1.000 0.538 CB 1.553 14 residues pruned to eliminate duplicates Z: 26 27.500 2.148 0.893 0.559 0.920 0.640 CB 1.388 26 residues pruned to eliminate duplicates Z: 10 15.593 1.970 0.999 0.702 0.889 0.222 CA 1.235 10 residues pruned to eliminate duplicates Z: 16 18.481 2.156 0.775 0.549 0.867 0.467 CB 1.371 16 residues pruned to eliminate duplicates Z: 7 14.677 2.292 0.891 0.768 0.833 0.500 CA 1.308 7 residues pruned to eliminate duplicates Z: 18 16.553 2.080 0.648 0.502 0.882 0.529 CB 1.325 18 residues pruned to eliminate duplicates Z: 9 17.029 2.265 0.667 0.711 0.875 0.500 CA 1.504 9 residues pruned to eliminate duplicates Z: 43 23.680 2.023 0.761 0.430 0.905 0.548 CB 1.218 43 residues pruned to eliminate duplicates Z: 16 18.068 2.189 0.781 0.530 0.867 0.467 CB 1.340 16 residues pruned to eliminate duplicates Z: 27 21.207 2.049 0.676 0.582 0.885 0.615 CB 1.265 27 residues pruned to eliminate duplicates Z: 18 18.069 2.075 0.816 0.482 0.941 0.412 CB 1.258 18 residues pruned to eliminate duplicates Z: 18 16.426 2.054 0.648 0.509 0.882 0.471 CB 1.322 18 residues pruned to eliminate duplicates 360 residues left after pruning, divided into chains as follows: A: 33 B: 140 C: 187 CC for partial structure against native data = 42.02 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.406, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.761 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.560, Connect. = 0.790 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.791 for dens.mod. cycle 6 = 0.300, Contrast = 0.568, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.570, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.572, Connect. = 0.793 for dens.mod. cycle 9 = 0.300, Contrast = 0.573, Connect. = 0.793 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1962 peaks > 0.5 sigma used to seed fragment search Space for about 448 unique residues taking solvent into account 460 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 25.323 2.277 0.373 0.921 0.875 0.875 CA 1.628 B: 9 22.759 2.102 0.842 0.877 0.875 0.625 CB 1.725 C: 39 25.113 2.171 0.525 0.435 0.895 0.526 CB 1.472 D: 137 60.495 2.192 0.697 0.539 0.904 0.625 CB 1.485 E: 35 21.828 2.089 0.551 0.479 0.853 0.559 CB 1.383 35 residues pruned to eliminate duplicates F: 21 26.580 2.215 0.419 0.646 1.000 0.800 CB 1.650 9 residues pruned to eliminate duplicates G: 50 40.666 2.239 0.722 0.510 0.898 0.694 CB 1.661 59 residues pruned to eliminate duplicates H: 17 21.075 2.208 0.132 0.902 0.938 0.875 CA 1.604 17 residues pruned to eliminate duplicates I: 16 25.936 2.302 0.222 0.935 1.000 0.933 CA 1.659 17 residues pruned to eliminate duplicates J: 14 13.876 1.925 0.294 0.881 0.846 0.692 CB 1.322 14 residues pruned to eliminate duplicates K: 13 13.289 2.112 0.599 0.369 0.917 0.667 CB 1.427 13 residues pruned to eliminate duplicates L: 10 16.058 2.133 0.563 0.773 0.889 0.556 CA 1.419 M: 12 23.785 2.144 0.385 0.895 1.000 0.545 CA 1.731 12 residues pruned to eliminate duplicates N: 44 32.053 2.158 0.539 0.560 0.977 0.581 CB 1.422 39 residues pruned to eliminate duplicates O: 17 27.612 2.190 0.410 0.921 0.938 0.625 CA 1.678 16 residues pruned to eliminate duplicates P: 12 13.575 2.102 0.310 0.537 0.909 0.727 CB 1.577 Q: 134 59.309 2.148 0.711 0.536 0.932 0.549 CB 1.449 134 residues pruned to eliminate duplicates R: 10 13.738 2.041 0.683 0.570 0.889 0.667 CB 1.402 S: 9 18.342 2.128 0.702 0.662 1.000 0.750 CB 1.541 10 residues pruned to eliminate duplicates T: 48 32.696 2.130 0.589 0.514 0.979 0.553 CB 1.420 44 residues pruned to eliminate duplicates U: 13 23.345 2.095 0.516 0.932 1.000 1.000 CA 1.482 13 residues pruned to eliminate duplicates V: 34 30.414 2.154 0.567 0.604 0.970 0.667 CB 1.465 34 residues pruned to eliminate duplicates W: 40 39.512 2.083 0.773 0.582 0.974 0.769 CB 1.626 40 residues pruned to eliminate duplicates X: 10 21.233 2.151 0.879 0.779 0.889 0.444 CA 1.540 10 residues pruned to eliminate duplicates Y: 13 26.160 2.119 0.588 0.928 1.000 1.000 CB 1.571 12 residues pruned to eliminate duplicates Z: 60 40.072 2.230 0.621 0.520 0.915 0.644 CB 1.546 52 residues pruned to eliminate duplicates Z: 61 35.515 2.183 0.625 0.509 0.867 0.583 CB 1.479 61 residues pruned to eliminate duplicates Z: 59 40.998 2.173 0.559 0.565 0.966 0.569 CB 1.546 58 residues pruned to eliminate duplicates Z: 13 24.097 2.101 0.532 0.877 1.000 0.750 CA 1.570 Z: 7 6.149 1.713 0.300 0.753 0.833 0.667 CB 1.080 7 residues pruned to eliminate duplicates Z: 11 31.387 2.280 0.714 0.918 1.000 0.900 CB 1.791 12 residues pruned to eliminate duplicates Z: 60 38.004 2.203 0.605 0.500 0.915 0.559 CB 1.529 60 residues pruned to eliminate duplicates Z: 83 46.015 2.177 0.646 0.496 0.927 0.561 CB 1.536 83 residues pruned to eliminate duplicates Z: 18 31.906 2.180 0.674 0.889 0.941 0.647 CA 1.622 18 residues pruned to eliminate duplicates Z: 8 18.643 2.136 0.613 0.866 1.000 0.714 CA 1.498 8 residues pruned to eliminate duplicates Z: 12 9.018 1.992 0.287 0.446 0.909 0.545 CB 1.233 12 residues pruned to eliminate duplicates Z: 14 13.538 1.965 0.026 0.828 0.923 0.692 CA 1.520 14 residues pruned to eliminate duplicates Z: 36 26.716 2.029 0.622 0.567 0.943 0.629 CB 1.364 36 residues pruned to eliminate duplicates Z: 19 28.196 1.987 0.751 0.819 0.944 0.389 CB 1.534 19 residues pruned to eliminate duplicates Z: 18 34.001 2.086 0.930 0.836 1.000 0.647 CB 1.533 18 residues pruned to eliminate duplicates Z: 11 4.350 1.876 0.439 0.172 0.600 0.300 CB 1.263 Z: 6 13.898 2.343 0.702 0.686 0.800 0.000 CA 1.643 6 residues pruned to eliminate duplicates Z: 19 29.033 2.120 0.720 0.857 0.889 0.833 CA 1.556 18 residues pruned to eliminate duplicates Z: 13 27.245 2.105 0.679 0.897 1.000 0.833 CA 1.593 13 residues pruned to eliminate duplicates Z: 25 20.756 2.095 0.788 0.464 0.917 0.625 CB 1.280 25 residues pruned to eliminate duplicates Z: 27 17.986 2.051 0.686 0.436 0.846 0.577 CB 1.287 27 residues pruned to eliminate duplicates Z: 10 9.113 1.851 0.218 0.794 0.889 0.778 CB 1.172 Z: 18 36.920 2.179 0.950 0.907 0.882 0.647 CA 1.698 19 residues pruned to eliminate duplicates Z: 9 20.144 2.242 0.828 0.787 0.875 0.750 CA 1.544 9 residues pruned to eliminate duplicates Z: 13 24.464 2.074 0.589 0.921 0.917 0.750 CB 1.646 13 residues pruned to eliminate duplicates Z: 12 12.262 2.007 0.435 0.532 0.909 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 16 31.669 2.335 0.489 0.911 0.933 0.600 CB 1.785 16 residues pruned to eliminate duplicates Z: 8 10.546 2.046 0.502 0.670 0.714 0.571 CA 1.552 8 residues pruned to eliminate duplicates Z: 6 20.998 2.379 0.807 0.815 1.000 0.400 CA 1.662 6 residues pruned to eliminate duplicates Z: 12 24.315 2.060 0.612 0.893 1.000 0.545 CB 1.585 12 residues pruned to eliminate duplicates Z: 65 37.926 2.117 0.656 0.525 0.875 0.609 CB 1.509 65 residues pruned to eliminate duplicates Z: 133 55.839 2.184 0.582 0.513 0.917 0.583 CB 1.515 133 residues pruned to eliminate duplicates Z: 12 24.888 2.170 0.428 0.915 1.000 1.000 CB 1.712 12 residues pruned to eliminate duplicates Z: 62 35.238 2.200 0.606 0.494 0.852 0.590 CB 1.507 62 residues pruned to eliminate duplicates Z: 118 57.248 2.204 0.683 0.529 0.897 0.547 CB 1.544 118 residues pruned to eliminate duplicates Z: 17 26.542 2.278 0.402 0.943 0.875 0.812 CA 1.646 17 residues pruned to eliminate duplicates Z: 10 12.949 2.099 0.464 0.558 0.889 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 16 11.477 2.059 0.672 0.504 0.733 0.600 CB 1.170 16 residues pruned to eliminate duplicates Z: 18 29.627 2.221 0.794 0.888 0.824 0.765 CA 1.578 18 residues pruned to eliminate duplicates Z: 77 45.358 2.146 0.711 0.581 0.908 0.645 CB 1.445 77 residues pruned to eliminate duplicates Z: 9 10.460 1.917 0.786 0.534 0.750 0.625 CA 1.393 9 residues pruned to eliminate duplicates Z: 6 8.964 2.071 0.248 0.805 1.000 1.000 CB 1.188 7 residues pruned to eliminate duplicates Z: 33 30.424 2.085 0.621 0.596 0.969 0.719 CB 1.499 33 residues pruned to eliminate duplicates Z: 35 25.132 2.102 0.507 0.521 0.912 0.647 CB 1.462 35 residues pruned to eliminate duplicates Z: 18 35.476 2.223 0.895 0.888 0.882 0.471 CA 1.667 18 residues pruned to eliminate duplicates Z: 138 57.720 2.187 0.641 0.536 0.891 0.628 CB 1.489 138 residues pruned to eliminate duplicates Z: 12 26.257 2.134 0.636 0.920 1.000 1.000 CB 1.597 12 residues pruned to eliminate duplicates Z: 84 44.576 2.109 0.681 0.545 0.916 0.566 CB 1.442 84 residues pruned to eliminate duplicates Z: 9 5.081 1.821 -0.035 0.617 0.875 0.500 CB 1.046 9 residues pruned to eliminate duplicates Z: 10 17.997 2.129 0.143 0.892 1.000 0.889 CB 1.771 10 residues pruned to eliminate duplicates Z: 26 19.269 1.909 0.428 0.608 0.960 0.680 CB 1.329 26 residues pruned to eliminate duplicates Z: 17 34.900 2.236 0.710 0.898 0.938 0.625 CA 1.740 17 residues pruned to eliminate duplicates Z: 9 11.694 1.873 0.582 0.781 0.875 0.500 CA 1.245 9 residues pruned to eliminate duplicates Z: 33 27.237 2.080 0.539 0.617 0.938 0.719 CB 1.436 33 residues pruned to eliminate duplicates Z: 18 16.035 2.059 0.476 0.442 0.882 0.471 CA 1.540 11 residues pruned to eliminate duplicates Z: 22 30.071 2.135 0.904 0.629 0.905 0.905 CB 1.580 13 residues pruned to eliminate duplicates Z: 16 26.157 1.912 0.937 0.883 0.933 0.467 CB 1.412 16 residues pruned to eliminate duplicates Z: 13 25.683 2.138 0.531 0.916 1.000 0.583 CB 1.600 13 residues pruned to eliminate duplicates Z: 17 32.274 2.256 0.731 0.866 0.875 0.688 CA 1.729 17 residues pruned to eliminate duplicates Z: 25 17.264 2.065 0.462 0.480 0.958 0.625 CB 1.243 11 residues pruned to eliminate duplicates Z: 18 28.462 2.147 0.612 0.904 0.882 0.588 CA 1.610 18 residues pruned to eliminate duplicates Z: 8 11.845 2.083 0.208 0.851 0.857 0.714 CA 1.536 8 residues pruned to eliminate duplicates Z: 21 11.852 1.965 0.278 0.372 0.900 0.400 CB 1.344 21 residues pruned to eliminate duplicates Z: 112 56.602 2.201 0.638 0.555 0.928 0.658 CB 1.522 112 residues pruned to eliminate duplicates Z: 6 6.971 1.792 0.044 0.819 1.000 0.800 CB 1.263 Z: 33 38.576 2.242 0.727 0.622 1.000 0.938 CB 1.570 33 residues pruned to eliminate duplicates Z: 9 13.415 2.172 0.349 0.859 0.875 0.500 CA 1.361 9 residues pruned to eliminate duplicates Z: 33 29.287 2.121 0.563 0.620 0.938 0.781 CB 1.487 33 residues pruned to eliminate duplicates Z: 21 22.463 2.248 0.592 0.505 0.900 0.600 CB 1.552 21 residues pruned to eliminate duplicates Z: 16 22.065 2.052 0.259 0.927 1.000 0.933 CB 1.546 16 residues pruned to eliminate duplicates Z: 11 12.071 2.118 0.292 0.476 0.900 0.700 CB 1.588 11 residues pruned to eliminate duplicates Z: 11 14.049 2.045 0.871 0.540 0.800 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 40 29.383 2.191 0.561 0.425 0.974 0.590 CB 1.526 40 residues pruned to eliminate duplicates Z: 33 17.595 2.024 0.307 0.490 0.906 0.594 CB 1.309 33 residues pruned to eliminate duplicates Z: 18 17.497 2.081 0.571 0.460 0.882 0.588 CA 1.532 19 residues pruned to eliminate duplicates Z: 52 30.927 2.216 0.515 0.492 0.882 0.588 CB 1.474 52 residues pruned to eliminate duplicates Z: 35 25.706 2.068 0.443 0.605 0.941 0.735 CB 1.420 36 residues pruned to eliminate duplicates Z: 53 31.873 2.178 0.592 0.495 0.885 0.692 CB 1.449 53 residues pruned to eliminate duplicates Z: 18 33.269 2.176 0.773 0.932 0.882 0.588 CA 1.654 18 residues pruned to eliminate duplicates Z: 81 45.128 2.206 0.545 0.552 0.950 0.713 CB 1.482 81 residues pruned to eliminate duplicates Z: 8 10.157 1.953 0.353 0.764 0.857 0.714 CB 1.341 8 residues pruned to eliminate duplicates Z: 104 56.944 2.209 0.568 0.589 0.942 0.699 CB 1.580 104 residues pruned to eliminate duplicates Z: 35 32.630 2.114 0.711 0.559 0.912 0.647 CA 1.601 35 residues pruned to eliminate duplicates Z: 17 15.246 2.076 0.630 0.538 0.812 0.500 CB 1.335 17 residues pruned to eliminate duplicates Z: 22 21.327 2.001 0.487 0.740 0.952 0.810 CB 1.324 22 residues pruned to eliminate duplicates Z: 17 31.549 2.026 0.870 0.929 0.938 0.625 CB 1.554 17 residues pruned to eliminate duplicates Z: 13 21.715 2.071 0.362 0.906 1.000 0.833 CA 1.580 13 residues pruned to eliminate duplicates Z: 10 15.268 1.859 1.051 0.729 0.889 0.778 CB 1.221 Z: 77 41.546 2.145 0.596 0.531 0.921 0.592 CB 1.466 77 residues pruned to eliminate duplicates Z: 12 25.793 2.134 0.501 0.906 1.000 0.909 CB 1.727 12 residues pruned to eliminate duplicates Z: 106 57.090 2.226 0.674 0.544 0.943 0.610 CB 1.519 106 residues pruned to eliminate duplicates Z: 35 34.447 2.156 0.522 0.669 1.000 0.765 CB 1.541 35 residues pruned to eliminate duplicates Z: 114 62.773 2.191 0.697 0.574 0.965 0.655 CB 1.534 113 residues pruned to eliminate duplicates Z: 22 11.593 1.852 0.493 0.414 0.905 0.524 CB 1.106 14 residues pruned to eliminate duplicates Z: 16 31.583 2.077 0.875 0.947 1.000 0.400 CB 1.448 16 residues pruned to eliminate duplicates Z: 25 17.617 2.090 0.727 0.428 0.833 0.500 CB 1.289 25 residues pruned to eliminate duplicates Z: 17 29.725 2.192 0.617 0.912 0.875 0.750 CA 1.697 17 residues pruned to eliminate duplicates Z: 17 34.685 2.176 0.856 0.907 0.938 0.375 CB 1.629 17 residues pruned to eliminate duplicates Z: 79 43.613 2.128 0.696 0.559 0.910 0.551 CB 1.419 79 residues pruned to eliminate duplicates Z: 9 12.272 2.129 0.463 0.509 0.875 0.750 CA 1.579 9 residues pruned to eliminate duplicates Z: 26 17.848 1.938 0.671 0.506 0.960 0.520 CB 1.142 26 residues pruned to eliminate duplicates Z: 30 24.277 2.115 0.503 0.602 0.897 0.655 CB 1.437 30 residues pruned to eliminate duplicates Z: 15 20.700 2.117 0.380 0.734 0.929 0.571 CB 1.652 15 residues pruned to eliminate duplicates Z: 17 24.756 2.023 0.465 0.929 0.938 0.750 CB 1.559 17 residues pruned to eliminate duplicates Z: 17 24.652 2.057 0.464 0.918 0.938 0.688 CB 1.540 17 residues pruned to eliminate duplicates Z: 35 33.013 2.096 0.670 0.622 0.971 0.824 CB 1.485 35 residues pruned to eliminate duplicates Z: 42 34.133 2.176 0.599 0.543 0.951 0.659 CB 1.544 42 residues pruned to eliminate duplicates Z: 8 7.580 1.978 0.298 0.513 1.000 0.286 CA 1.101 8 residues pruned to eliminate duplicates Z: 117 58.850 2.208 0.609 0.535 0.957 0.603 CB 1.552 117 residues pruned to eliminate duplicates Z: 13 27.095 2.129 0.809 0.925 1.000 0.750 CB 1.425 12 residues pruned to eliminate duplicates Z: 51 30.539 2.079 0.566 0.505 0.940 0.620 CB 1.404 51 residues pruned to eliminate duplicates Z: 10 9.047 1.998 0.689 0.553 0.889 0.667 CB 0.955 10 residues pruned to eliminate duplicates Z: 23 29.441 2.160 0.813 0.605 0.909 0.636 CB 1.596 23 residues pruned to eliminate duplicates Z: 22 10.627 1.894 0.592 0.297 0.810 0.381 CB 1.192 22 residues pruned to eliminate duplicates Z: 15 9.691 1.992 0.386 0.361 0.857 0.500 CB 1.271 12 residues pruned to eliminate duplicates Z: 25 22.901 2.113 0.567 0.526 1.000 0.625 CB 1.376 24 residues pruned to eliminate duplicates Z: 10 9.403 1.941 0.291 0.620 0.889 0.556 CB 1.256 10 residues pruned to eliminate duplicates Z: 114 64.404 2.204 0.723 0.589 0.947 0.735 CB 1.547 114 residues pruned to eliminate duplicates Z: 23 30.891 2.145 0.772 0.660 0.955 0.864 CB 1.565 23 residues pruned to eliminate duplicates Z: 7 8.248 1.935 0.332 0.753 0.833 0.500 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 4.477 1.696 -0.071 0.594 0.857 0.714 CB 1.145 Z: 14 11.407 1.758 0.578 0.542 0.923 0.692 CB 1.185 11 residues pruned to eliminate duplicates Z: 113 63.357 2.228 0.751 0.547 0.938 0.625 CB 1.563 113 residues pruned to eliminate duplicates Z: 35 38.999 2.196 0.777 0.621 0.971 0.794 CB 1.575 37 residues pruned to eliminate duplicates Z: 28 17.532 1.968 0.422 0.463 0.889 0.444 CB 1.410 27 residues pruned to eliminate duplicates Z: 25 17.683 1.976 0.451 0.427 0.917 0.458 CB 1.481 25 residues pruned to eliminate duplicates Z: 17 31.088 2.050 0.801 0.932 0.938 0.750 CB 1.568 17 residues pruned to eliminate duplicates Z: 12 28.518 2.130 0.697 0.902 1.000 0.727 CB 1.696 12 residues pruned to eliminate duplicates Z: 54 39.713 2.223 0.581 0.556 0.981 0.660 CB 1.497 54 residues pruned to eliminate duplicates Z: 36 32.746 2.265 0.754 0.488 0.914 0.686 CB 1.543 36 residues pruned to eliminate duplicates Z: 14 9.006 1.684 0.017 0.872 0.923 0.923 CB 1.151 14 residues pruned to eliminate duplicates Z: 72 34.814 2.055 0.499 0.509 0.915 0.563 CB 1.452 63 residues pruned to eliminate duplicates Z: 18 10.940 2.029 0.605 0.266 0.824 0.471 CB 1.291 18 residues pruned to eliminate duplicates Z: 48 31.144 1.978 0.455 0.677 0.915 0.553 CB 1.465 48 residues pruned to eliminate duplicates Z: 13 15.640 2.124 0.466 0.620 0.917 0.583 CB 1.413 13 residues pruned to eliminate duplicates Z: 40 17.566 1.817 0.406 0.480 0.821 0.410 CB 1.369 40 residues pruned to eliminate duplicates Z: 6 9.302 2.054 0.523 0.893 1.000 1.000 CB 0.954 6 residues pruned to eliminate duplicates Z: 82 42.340 2.160 0.574 0.534 0.914 0.580 CB 1.465 82 residues pruned to eliminate duplicates Z: 59 28.757 2.156 0.478 0.477 0.879 0.655 CB 1.379 59 residues pruned to eliminate duplicates Z: 39 29.878 2.073 0.633 0.545 0.921 0.684 CB 1.488 39 residues pruned to eliminate duplicates Z: 8 16.123 2.055 0.729 0.839 1.000 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 12 18.250 2.301 0.566 0.505 1.000 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 13 8.210 1.857 0.382 0.358 0.750 0.333 CB 1.434 13 residues pruned to eliminate duplicates Z: 9 10.746 1.940 0.318 0.909 1.000 1.000 CB 1.054 9 residues pruned to eliminate duplicates Z: 21 43.067 2.318 0.862 0.727 1.000 0.950 CA 1.818 22 residues pruned to eliminate duplicates Z: 10 9.198 1.971 0.328 0.495 0.889 0.667 CB 1.324 10 residues pruned to eliminate duplicates Z: 80 49.956 2.208 0.722 0.555 0.924 0.633 CB 1.516 80 residues pruned to eliminate duplicates Z: 9 10.174 1.795 0.307 0.912 0.875 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 104 49.998 2.211 0.607 0.506 0.903 0.641 CB 1.527 104 residues pruned to eliminate duplicates Z: 11 9.960 1.851 0.461 0.496 0.900 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 16 17.257 2.049 0.022 0.912 1.000 0.867 CB 1.507 16 residues pruned to eliminate duplicates Z: 7 7.483 2.154 0.366 0.763 0.667 0.333 CA 1.233 7 residues pruned to eliminate duplicates Z: 11 14.032 2.080 -0.059 0.890 1.000 0.900 CB 1.630 11 residues pruned to eliminate duplicates Z: 62 40.480 2.192 0.621 0.555 0.934 0.689 CB 1.480 62 residues pruned to eliminate duplicates Z: 9 11.313 1.966 0.314 0.860 1.000 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 60 42.323 2.228 0.690 0.528 0.932 0.559 CB 1.527 60 residues pruned to eliminate duplicates Z: 25 24.431 2.061 0.695 0.540 0.958 0.500 CB 1.432 25 residues pruned to eliminate duplicates Z: 6 3.526 1.806 0.338 0.418 0.600 0.600 N 1.184 6 residues pruned to eliminate duplicates Z: 29 25.799 2.206 0.804 0.428 0.929 0.714 CB 1.422 29 residues pruned to eliminate duplicates Z: 13 18.303 1.976 0.298 0.913 0.917 0.917 CA 1.591 14 residues pruned to eliminate duplicates Z: 34 38.867 2.197 0.783 0.641 0.970 0.788 CB 1.562 34 residues pruned to eliminate duplicates Z: 9 9.343 1.871 0.213 0.799 0.875 0.625 CA 1.281 9 residues pruned to eliminate duplicates Z: 48 28.537 2.101 0.530 0.490 0.936 0.553 CB 1.398 48 residues pruned to eliminate duplicates Z: 34 24.473 2.070 0.589 0.603 0.848 0.667 CB 1.383 34 residues pruned to eliminate duplicates Z: 12 8.492 1.613 0.615 0.610 0.818 0.545 CB 1.082 12 residues pruned to eliminate duplicates Z: 48 36.468 1.978 0.595 0.646 0.957 0.426 CB 1.536 50 residues pruned to eliminate duplicates Z: 10 8.810 1.691 0.502 0.605 0.778 0.444 C 1.345 4 residues pruned to eliminate duplicates Z: 9 13.778 1.910 1.016 0.899 1.000 1.000 N 0.904 Z: 10 10.162 2.063 0.304 0.513 0.889 0.667 CB 1.399 10 residues pruned to eliminate duplicates Z: 69 43.829 2.184 0.540 0.569 0.926 0.735 CB 1.595 69 residues pruned to eliminate duplicates Z: 14 26.038 2.140 0.861 0.775 0.923 0.769 CB 1.541 14 residues pruned to eliminate duplicates Z: 37 17.973 1.944 0.424 0.377 0.917 0.500 CB 1.346 37 residues pruned to eliminate duplicates Z: 28 19.807 2.123 0.501 0.423 0.852 0.444 CB 1.522 28 residues pruned to eliminate duplicates Z: 11 8.529 1.730 0.715 0.629 0.900 0.800 CB 0.895 11 residues pruned to eliminate duplicates Z: 11 22.738 2.221 0.641 0.688 1.000 0.900 CB 1.660 12 residues pruned to eliminate duplicates Z: 17 22.132 1.995 0.509 0.884 1.000 0.438 CB 1.328 17 residues pruned to eliminate duplicates Z: 7 3.329 1.622 0.046 0.460 1.000 0.333 CB 0.834 Z: 24 28.130 2.038 0.693 0.680 0.913 0.870 CA 1.579 24 residues pruned to eliminate duplicates Z: 7 9.447 2.038 0.155 0.856 1.000 0.833 CB 1.209 7 residues pruned to eliminate duplicates Z: 52 27.869 2.038 0.540 0.457 0.961 0.588 CB 1.353 52 residues pruned to eliminate duplicates Z: 25 18.597 2.036 0.290 0.594 0.958 0.667 CB 1.379 25 residues pruned to eliminate duplicates Z: 7 2.355 1.645 -0.290 0.648 0.833 0.667 CB 0.860 Z: 13 25.124 2.039 1.248 0.591 0.917 0.833 CA 1.583 13 residues pruned to eliminate duplicates Z: 21 16.949 2.061 0.786 0.427 0.900 0.550 CB 1.234 21 residues pruned to eliminate duplicates Z: 6 8.364 1.855 0.283 0.830 1.000 0.800 CB 1.182 6 residues pruned to eliminate duplicates Z: 6 5.892 1.681 0.268 0.437 1.000 0.400 CB 1.319 Z: 81 43.586 2.121 0.481 0.576 0.950 0.613 CB 1.518 81 residues pruned to eliminate duplicates Z: 34 21.931 2.030 0.318 0.575 0.909 0.758 CB 1.460 34 residues pruned to eliminate duplicates Z: 16 22.820 2.048 0.367 0.905 1.000 0.800 CB 1.498 16 residues pruned to eliminate duplicates Z: 42 32.694 2.225 0.541 0.504 0.927 0.610 CB 1.599 42 residues pruned to eliminate duplicates Z: 13 14.939 1.996 0.500 0.722 0.917 0.667 CB 1.285 13 residues pruned to eliminate duplicates Z: 59 36.139 2.122 0.411 0.596 0.914 0.638 CB 1.582 59 residues pruned to eliminate duplicates Z: 33 21.834 2.133 0.526 0.421 0.812 0.531 CA 1.584 33 residues pruned to eliminate duplicates Z: 69 43.652 2.185 0.572 0.584 0.912 0.706 CB 1.559 69 residues pruned to eliminate duplicates Z: 6 4.872 1.583 0.299 0.734 1.000 0.800 CB 0.859 6 residues pruned to eliminate duplicates Z: 44 30.012 2.197 0.592 0.479 0.884 0.628 CB 1.512 44 residues pruned to eliminate duplicates Z: 16 12.014 1.887 0.515 0.407 0.867 0.400 CA 1.381 16 residues pruned to eliminate duplicates Z: 7 4.636 1.409 0.426 0.708 0.833 0.667 CB 0.935 7 residues pruned to eliminate duplicates Z: 8 19.678 2.291 0.706 0.866 1.000 0.714 CA 1.393 8 residues pruned to eliminate duplicates Z: 38 36.818 2.071 0.683 0.640 0.973 0.622 CA 1.566 38 residues pruned to eliminate duplicates Z: 49 33.872 2.185 0.729 0.512 0.854 0.688 CB 1.497 49 residues pruned to eliminate duplicates Z: 6 8.142 2.155 0.300 0.867 1.000 0.800 CB 0.951 6 residues pruned to eliminate duplicates Z: 11 19.409 1.924 1.048 0.700 1.000 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 12 19.028 2.052 0.508 0.695 1.000 0.909 CB 1.552 12 residues pruned to eliminate duplicates Z: 80 43.384 2.126 0.515 0.574 0.937 0.595 CB 1.507 80 residues pruned to eliminate duplicates Z: 11 16.890 2.022 0.428 0.728 1.000 0.900 CB 1.506 11 residues pruned to eliminate duplicates Z: 13 9.828 1.709 0.418 0.605 0.917 0.667 CB 1.156 13 residues pruned to eliminate duplicates Z: 9 3.450 1.683 -0.071 0.559 1.000 0.750 CB 0.737 Z: 7 3.118 1.561 0.288 0.247 0.667 0.500 CB 1.272 Z: 58 44.423 2.231 0.748 0.558 0.930 0.702 CB 1.534 59 residues pruned to eliminate duplicates Z: 53 37.808 2.201 0.600 0.550 0.923 0.712 CB 1.536 53 residues pruned to eliminate duplicates Z: 91 41.251 2.013 0.543 0.524 0.956 0.544 CB 1.431 91 residues pruned to eliminate duplicates Z: 38 23.274 2.073 0.491 0.499 0.919 0.541 CB 1.349 38 residues pruned to eliminate duplicates Z: 10 9.636 1.817 0.340 0.862 1.000 0.778 CB 0.968 10 residues pruned to eliminate duplicates Z: 59 47.249 2.161 0.659 0.647 0.948 0.741 CB 1.592 59 residues pruned to eliminate duplicates Z: 10 10.130 1.662 0.264 0.912 1.000 0.667 CB 1.138 10 residues pruned to eliminate duplicates Z: 20 10.489 1.856 0.271 0.426 0.895 0.474 CB 1.231 20 residues pruned to eliminate duplicates Z: 8 9.227 1.934 -0.135 0.786 1.000 0.714 C 1.621 Z: 58 32.630 2.039 0.645 0.500 0.947 0.632 CB 1.360 58 residues pruned to eliminate duplicates Z: 48 32.502 2.142 0.638 0.524 0.894 0.660 CB 1.477 48 residues pruned to eliminate duplicates Z: 9 8.132 1.848 -0.250 0.845 1.000 0.625 CB 1.543 8 residues pruned to eliminate duplicates Z: 12 11.484 1.882 0.550 0.548 0.909 0.818 CB 1.246 12 residues pruned to eliminate duplicates Z: 63 43.204 2.172 0.716 0.522 0.903 0.629 CB 1.594 63 residues pruned to eliminate duplicates Z: 34 36.871 2.178 0.754 0.635 0.939 0.848 CB 1.575 33 residues pruned to eliminate duplicates Z: 12 15.802 2.091 0.001 0.900 1.000 1.000 CA 1.626 12 residues pruned to eliminate duplicates Z: 49 36.165 2.190 0.589 0.508 0.938 0.667 CB 1.588 49 residues pruned to eliminate duplicates Z: 47 23.353 1.874 0.453 0.562 0.870 0.609 CB 1.369 47 residues pruned to eliminate duplicates Z: 8 8.386 1.984 0.038 0.740 0.857 0.429 CA 1.449 8 residues pruned to eliminate duplicates Z: 8 3.659 1.299 0.395 0.556 0.857 0.857 C 0.843 8 residues pruned to eliminate duplicates Z: 18 7.348 1.875 0.242 0.428 0.824 0.588 CB 1.002 17 residues pruned to eliminate duplicates Z: 22 15.781 2.073 0.746 0.389 0.857 0.476 CB 1.248 21 residues pruned to eliminate duplicates Z: 8 10.605 2.002 0.460 0.880 1.000 0.857 CB 0.994 8 residues pruned to eliminate duplicates Z: 27 18.147 2.009 0.590 0.508 0.885 0.615 CB 1.248 27 residues pruned to eliminate duplicates Z: 19 16.475 2.045 0.825 0.305 0.889 0.667 CB 1.455 19 residues pruned to eliminate duplicates Z: 12 17.803 2.129 0.822 0.438 1.000 0.636 CB 1.475 12 residues pruned to eliminate duplicates Z: 29 24.208 1.981 0.571 0.513 0.893 0.607 CB 1.625 29 residues pruned to eliminate duplicates Z: 11 9.861 2.001 0.419 0.416 0.900 0.700 CA 1.331 11 residues pruned to eliminate duplicates Z: 6 7.171 1.785 0.230 0.669 0.800 0.600 O 1.561 6 residues pruned to eliminate duplicates Z: 6 4.219 2.079 0.743 0.639 0.800 0.600 CB 0.572 6 residues pruned to eliminate duplicates Z: 9 10.900 1.951 0.335 0.761 0.875 0.375 CA 1.341 9 residues pruned to eliminate duplicates Z: 10 10.243 1.596 0.701 0.714 0.889 0.667 CB 1.166 10 residues pruned to eliminate duplicates Z: 12 15.300 2.057 0.542 0.570 0.909 0.727 CA 1.495 12 residues pruned to eliminate duplicates Z: 51 30.938 1.996 0.531 0.562 0.920 0.420 CB 1.466 51 residues pruned to eliminate duplicates Z: 81 40.419 2.107 0.453 0.572 0.913 0.613 CB 1.510 81 residues pruned to eliminate duplicates Z: 21 17.799 2.007 0.529 0.542 0.950 0.700 CB 1.311 20 residues pruned to eliminate duplicates Z: 6 4.045 1.715 -0.328 0.820 1.000 1.000 CB 1.189 Z: 44 32.460 2.154 0.578 0.546 1.000 0.558 CB 1.393 44 residues pruned to eliminate duplicates Z: 14 3.650 1.539 0.124 0.525 0.769 0.615 CB 0.742 Z: 8 7.899 1.755 0.300 0.837 0.857 0.286 CB 1.142 8 residues pruned to eliminate duplicates Z: 6 2.139 1.846 0.202 0.470 0.800 0.400 CB 0.555 Z: 6 3.582 1.578 -0.008 0.589 1.000 1.000 CB 0.940 6 residues pruned to eliminate duplicates Z: 16 10.777 1.879 0.218 0.541 0.933 0.600 CB 1.251 16 residues pruned to eliminate duplicates Z: 9 10.321 1.822 0.374 0.762 0.875 0.625 CA 1.320 9 residues pruned to eliminate duplicates Z: 116 54.734 2.227 0.569 0.503 0.930 0.574 CB 1.565 116 residues pruned to eliminate duplicates Z: 107 50.163 2.194 0.627 0.525 0.896 0.632 CB 1.486 107 residues pruned to eliminate duplicates Z: 11 7.974 1.609 0.764 0.562 0.800 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 82 48.843 2.161 0.727 0.591 0.926 0.704 CB 1.439 82 residues pruned to eliminate duplicates Z: 6 6.126 2.063 -0.014 0.823 1.000 0.600 CB 1.018 6 residues pruned to eliminate duplicates Z: 12 14.571 2.004 0.449 0.612 0.909 0.364 CB 1.496 11 residues pruned to eliminate duplicates Z: 13 17.312 1.887 0.330 0.851 0.917 0.917 O 1.609 13 residues pruned to eliminate duplicates Z: 12 15.659 2.021 0.622 0.633 1.000 0.727 CA 1.271 12 residues pruned to eliminate duplicates Z: 6 3.903 1.724 -0.235 0.684 1.000 1.000 CB 1.117 Z: 29 27.891 2.160 0.700 0.499 0.929 0.536 CB 1.548 29 residues pruned to eliminate duplicates Z: 73 39.338 2.074 0.466 0.583 0.944 0.653 CB 1.491 73 residues pruned to eliminate duplicates Z: 9 14.612 2.045 0.590 0.637 0.875 0.750 CB 1.597 9 residues pruned to eliminate duplicates Z: 31 18.029 1.951 0.489 0.480 0.833 0.533 CB 1.388 31 residues pruned to eliminate duplicates Z: 6 12.482 1.974 0.788 0.748 1.000 0.800 CA 1.268 6 residues pruned to eliminate duplicates Z: 33 28.604 2.023 0.672 0.583 0.938 0.781 CB 1.472 33 residues pruned to eliminate duplicates Z: 38 25.033 2.077 0.597 0.486 0.919 0.568 CB 1.368 38 residues pruned to eliminate duplicates Z: 80 37.504 2.105 0.432 0.538 0.899 0.608 CB 1.501 80 residues pruned to eliminate duplicates Z: 27 22.005 2.070 0.538 0.616 0.923 0.615 CB 1.316 27 residues pruned to eliminate duplicates Z: 16 15.634 2.024 0.480 0.568 0.867 0.667 CB 1.456 23 residues pruned to eliminate duplicates Z: 9 5.015 1.326 0.565 0.656 0.750 0.375 CB 0.986 9 residues pruned to eliminate duplicates Z: 24 22.665 1.942 0.767 0.650 1.000 0.739 CB 1.197 24 residues pruned to eliminate duplicates Z: 18 37.892 2.178 0.893 0.948 0.941 0.765 CA 1.635 18 residues pruned to eliminate duplicates Z: 8 11.464 1.971 0.179 0.847 1.000 0.857 CB 1.384 8 residues pruned to eliminate duplicates Z: 10 3.609 1.605 -0.028 0.532 0.889 0.556 CB 0.841 Z: 40 35.507 2.244 0.636 0.502 0.897 0.769 CB 1.723 40 residues pruned to eliminate duplicates Z: 17 15.343 2.037 0.537 0.489 0.938 0.500 CB 1.321 18 residues pruned to eliminate duplicates Z: 6 5.304 1.587 0.349 0.647 0.800 0.600 CB 1.208 6 residues pruned to eliminate duplicates Z: 38 32.302 2.091 0.610 0.641 0.865 0.622 CA 1.599 38 residues pruned to eliminate duplicates Z: 45 35.011 2.173 0.615 0.571 0.977 0.591 CB 1.438 45 residues pruned to eliminate duplicates Z: 13 19.601 2.160 0.687 0.567 0.917 0.583 CB 1.587 13 residues pruned to eliminate duplicates Z: 52 24.649 1.859 0.439 0.568 0.882 0.627 CB 1.370 52 residues pruned to eliminate duplicates Z: 7 3.761 1.414 0.539 0.458 0.833 0.667 CA 0.884 Z: 74 35.503 2.128 0.551 0.513 0.877 0.616 CB 1.418 74 residues pruned to eliminate duplicates Z: 70 42.889 2.121 0.617 0.596 0.913 0.609 CB 1.504 70 residues pruned to eliminate duplicates Z: 12 24.777 2.020 0.652 0.909 1.000 0.455 CB 1.590 13 residues pruned to eliminate duplicates Z: 14 12.845 1.879 0.447 0.520 0.923 0.769 CA 1.391 14 residues pruned to eliminate duplicates Z: 11 3.602 1.659 -0.061 0.404 0.800 0.700 CB 1.012 4 residues pruned to eliminate duplicates Z: 14 12.091 1.833 0.453 0.554 0.923 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 23 11.301 1.977 0.646 0.285 0.864 0.318 CB 1.091 23 residues pruned to eliminate duplicates Z: 7 15.638 2.050 0.521 0.894 1.000 0.667 CB 1.469 7 residues pruned to eliminate duplicates Z: 14 7.312 1.619 0.264 0.470 0.769 0.385 CB 1.328 10 residues pruned to eliminate duplicates Z: 8 10.055 2.030 0.237 0.822 1.000 0.571 CB 1.144 8 residues pruned to eliminate duplicates Z: 32 34.105 2.222 0.675 0.607 1.000 0.806 CB 1.486 32 residues pruned to eliminate duplicates Z: 29 33.837 2.244 0.637 0.578 0.964 0.786 CB 1.674 29 residues pruned to eliminate duplicates Z: 11 12.544 1.780 0.661 0.598 1.000 0.700 CB 1.222 11 residues pruned to eliminate duplicates Z: 17 17.921 2.073 0.660 0.540 0.875 0.812 CB 1.432 16 residues pruned to eliminate duplicates Z: 11 13.135 1.943 0.520 0.553 1.000 0.800 CB 1.336 11 residues pruned to eliminate duplicates Z: 13 26.986 2.023 0.808 0.771 1.000 0.583 CA 1.675 12 residues pruned to eliminate duplicates Z: 44 30.286 2.112 0.628 0.497 0.930 0.581 CB 1.449 44 residues pruned to eliminate duplicates Z: 55 31.436 2.164 0.514 0.466 0.907 0.593 CB 1.489 55 residues pruned to eliminate duplicates Z: 7 10.085 1.739 0.480 0.653 1.000 0.500 CA 1.388 7 residues pruned to eliminate duplicates Z: 40 20.959 1.999 0.581 0.402 0.821 0.538 CB 1.435 40 residues pruned to eliminate duplicates Z: 9 14.643 2.215 0.436 0.600 0.875 0.750 CA 1.692 9 residues pruned to eliminate duplicates Z: 17 27.146 1.967 0.534 0.942 1.000 0.750 CA 1.560 17 residues pruned to eliminate duplicates Z: 12 16.935 2.099 0.578 0.689 0.909 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 23 17.336 1.882 0.420 0.625 0.909 0.636 CB 1.352 23 residues pruned to eliminate duplicates Z: 10 18.863 2.068 0.693 0.681 1.000 0.556 CA 1.521 10 residues pruned to eliminate duplicates Z: 15 9.325 1.949 0.271 0.480 0.857 0.643 CB 1.198 15 residues pruned to eliminate duplicates Z: 14 15.475 2.051 0.604 0.471 0.923 0.692 CB 1.455 12 residues pruned to eliminate duplicates Z: 29 14.825 1.949 0.298 0.553 0.821 0.536 CB 1.281 29 residues pruned to eliminate duplicates Z: 10 19.644 2.041 0.793 0.815 1.000 0.889 CA 1.360 10 residues pruned to eliminate duplicates Z: 81 47.964 2.147 0.687 0.596 0.925 0.637 CB 1.460 81 residues pruned to eliminate duplicates Z: 19 6.208 1.756 0.312 0.409 0.778 0.556 CB 0.898 19 residues pruned to eliminate duplicates Z: 14 6.066 1.615 0.572 0.245 0.769 0.308 CB 1.156 14 residues pruned to eliminate duplicates Z: 41 28.676 2.117 0.700 0.416 0.925 0.600 CB 1.487 41 residues pruned to eliminate duplicates Z: 9 9.479 1.990 0.568 0.492 0.875 0.750 CB 1.238 9 residues pruned to eliminate duplicates Z: 16 13.110 1.856 0.634 0.554 0.933 0.533 CB 1.134 16 residues pruned to eliminate duplicates Z: 25 15.119 1.800 0.622 0.422 0.875 0.500 CB 1.310 28 residues pruned to eliminate duplicates Z: 24 28.433 2.268 0.553 0.608 0.957 0.739 CB 1.588 24 residues pruned to eliminate duplicates Z: 11 19.467 2.217 0.857 0.453 1.000 0.900 CB 1.569 11 residues pruned to eliminate duplicates Z: 23 18.809 1.923 0.603 0.516 0.909 0.636 N 1.408 18 residues pruned to eliminate duplicates Z: 9 7.874 1.815 -0.191 0.831 1.000 0.750 CB 1.424 9 residues pruned to eliminate duplicates Z: 63 43.104 2.219 0.565 0.585 0.935 0.694 CB 1.553 63 residues pruned to eliminate duplicates Z: 12 7.984 1.989 0.312 0.356 0.909 0.545 CB 1.186 12 residues pruned to eliminate duplicates Z: 13 9.668 1.662 0.497 0.648 0.833 0.667 CB 1.173 13 residues pruned to eliminate duplicates Z: 77 41.895 2.171 0.629 0.546 0.908 0.592 CB 1.431 77 residues pruned to eliminate duplicates Z: 7 5.369 1.649 -0.278 0.790 1.000 1.000 N 1.427 7 residues pruned to eliminate duplicates Z: 53 33.228 2.198 0.575 0.486 0.923 0.635 CB 1.463 53 residues pruned to eliminate duplicates Z: 74 47.927 2.178 0.670 0.578 0.932 0.685 CB 1.535 74 residues pruned to eliminate duplicates Z: 6 3.607 1.734 0.078 0.671 1.000 0.600 CB 0.736 4 residues pruned to eliminate duplicates Z: 11 5.360 1.749 -0.077 0.420 0.900 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 8 11.136 1.712 0.658 0.838 1.000 0.571 CB 1.108 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 14.594 2.077 0.531 0.362 0.938 0.750 CA 1.421 17 residues pruned to eliminate duplicates Z: 18 10.201 1.877 0.623 0.247 0.824 0.294 CA 1.320 18 residues pruned to eliminate duplicates Z: 18 13.666 2.053 0.473 0.347 0.882 0.647 CB 1.466 18 residues pruned to eliminate duplicates Z: 15 8.350 2.009 0.444 0.173 0.857 0.357 CB 1.334 15 residues pruned to eliminate duplicates Z: 31 16.101 2.023 0.383 0.399 0.867 0.433 CB 1.349 31 residues pruned to eliminate duplicates Z: 7 5.108 1.634 0.592 0.421 0.833 0.667 CA 1.044 7 residues pruned to eliminate duplicates Z: 18 18.063 2.038 0.735 0.431 0.882 0.588 CB 1.507 18 residues pruned to eliminate duplicates Z: 12 13.735 1.999 0.511 0.563 0.818 0.636 CA 1.577 12 residues pruned to eliminate duplicates Z: 10 16.194 2.163 0.346 0.609 1.000 0.778 CA 1.671 10 residues pruned to eliminate duplicates Z: 16 19.011 2.065 0.473 0.523 1.000 0.733 CA 1.577 16 residues pruned to eliminate duplicates Z: 11 13.810 2.016 0.473 0.549 0.900 0.800 CA 1.558 11 residues pruned to eliminate duplicates Z: 25 15.518 1.944 0.491 0.413 0.917 0.625 CB 1.305 25 residues pruned to eliminate duplicates Z: 27 19.280 2.058 0.554 0.496 0.885 0.500 CB 1.342 27 residues pruned to eliminate duplicates Z: 29 15.564 1.944 0.361 0.472 0.929 0.536 CB 1.231 29 residues pruned to eliminate duplicates Z: 16 12.124 2.009 0.455 0.509 0.867 0.533 CB 1.224 16 residues pruned to eliminate duplicates Z: 16 15.892 2.072 0.698 0.476 0.933 0.333 CB 1.281 16 residues pruned to eliminate duplicates Z: 28 20.247 2.084 0.616 0.504 0.889 0.556 CB 1.297 28 residues pruned to eliminate duplicates Z: 39 16.617 1.902 0.365 0.417 0.921 0.526 CB 1.228 39 residues pruned to eliminate duplicates Z: 29 19.408 2.043 0.568 0.531 0.857 0.607 CB 1.296 29 residues pruned to eliminate duplicates Z: 22 10.934 1.810 0.482 0.390 0.810 0.571 CB 1.234 22 residues pruned to eliminate duplicates Z: 29 20.154 2.040 0.630 0.516 0.857 0.679 CB 1.315 30 residues pruned to eliminate duplicates Z: 9 12.327 1.980 0.365 0.778 1.000 0.500 CB 1.261 9 residues pruned to eliminate duplicates Z: 14 15.496 2.131 0.668 0.484 0.846 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 8 15.706 2.133 0.481 0.690 1.000 0.714 CB 1.580 8 residues pruned to eliminate duplicates Z: 20 13.142 1.866 0.455 0.438 0.947 0.579 CB 1.250 20 residues pruned to eliminate duplicates Z: 19 14.192 1.945 0.507 0.465 0.944 0.500 CB 1.252 18 residues pruned to eliminate duplicates Z: 6 5.343 1.751 0.625 0.331 0.800 0.600 CB 1.263 6 residues pruned to eliminate duplicates Z: 8 5.886 1.531 0.980 0.288 0.857 0.429 CB 1.087 8 residues pruned to eliminate duplicates Z: 19 13.796 1.944 0.464 0.461 0.889 0.556 CB 1.337 19 residues pruned to eliminate duplicates Z: 39 28.704 2.131 0.557 0.538 0.947 0.553 CB 1.428 39 residues pruned to eliminate duplicates Z: 9 10.058 1.727 0.509 0.882 0.875 0.375 CB 1.128 9 residues pruned to eliminate duplicates Z: 90 43.666 2.083 0.508 0.555 0.933 0.584 CB 1.498 90 residues pruned to eliminate duplicates Z: 21 20.357 2.046 0.508 0.680 0.950 0.650 CB 1.316 21 residues pruned to eliminate duplicates Z: 49 31.246 2.120 0.607 0.491 0.958 0.604 CB 1.394 49 residues pruned to eliminate duplicates Z: 21 18.038 2.005 0.584 0.653 0.850 0.600 CB 1.296 21 residues pruned to eliminate duplicates Z: 21 22.607 2.031 0.604 0.708 0.950 0.700 CB 1.352 21 residues pruned to eliminate duplicates Z: 47 32.657 2.163 0.558 0.502 1.000 0.565 CB 1.426 47 residues pruned to eliminate duplicates Z: 44 33.038 2.157 0.594 0.556 0.977 0.558 CB 1.421 44 residues pruned to eliminate duplicates Z: 48 30.412 2.109 0.515 0.464 0.979 0.553 CB 1.471 48 residues pruned to eliminate duplicates Z: 14 17.495 2.076 0.537 0.633 0.846 0.615 CA 1.586 14 residues pruned to eliminate duplicates Z: 15 9.753 1.942 0.346 0.507 0.857 0.429 CA 1.155 15 residues pruned to eliminate duplicates Z: 22 19.268 1.997 0.519 0.669 0.857 0.571 CB 1.383 22 residues pruned to eliminate duplicates Z: 48 32.995 2.112 0.601 0.490 0.979 0.553 CB 1.469 48 residues pruned to eliminate duplicates Z: 49 34.245 2.133 0.620 0.530 0.958 0.583 CB 1.449 49 residues pruned to eliminate duplicates Z: 22 18.591 1.959 0.499 0.674 0.952 0.476 CB 1.236 22 residues pruned to eliminate duplicates Z: 48 34.065 2.138 0.654 0.547 0.957 0.660 CB 1.402 48 residues pruned to eliminate duplicates Z: 51 32.072 2.113 0.600 0.523 0.940 0.560 CB 1.395 51 residues pruned to eliminate duplicates Z: 50 30.603 2.106 0.560 0.472 0.959 0.571 CB 1.428 50 residues pruned to eliminate duplicates Z: 49 31.974 2.098 0.566 0.514 0.979 0.646 CB 1.414 49 residues pruned to eliminate duplicates Z: 33 25.822 2.113 0.732 0.416 0.938 0.594 CB 1.452 33 residues pruned to eliminate duplicates Z: 50 31.486 2.127 0.557 0.497 0.939 0.633 CB 1.450 50 residues pruned to eliminate duplicates Z: 38 29.828 2.126 0.685 0.542 0.919 0.595 CB 1.430 38 residues pruned to eliminate duplicates Z: 49 32.719 2.133 0.614 0.511 0.958 0.562 CB 1.415 49 residues pruned to eliminate duplicates Z: 37 28.480 2.137 0.606 0.511 0.944 0.556 CB 1.448 37 residues pruned to eliminate duplicates Z: 49 30.444 2.108 0.537 0.489 0.958 0.542 CB 1.430 49 residues pruned to eliminate duplicates Z: 50 30.881 2.097 0.534 0.504 0.959 0.571 CB 1.423 50 residues pruned to eliminate duplicates Z: 49 29.395 2.090 0.486 0.504 0.938 0.688 CB 1.452 49 residues pruned to eliminate duplicates Z: 49 29.424 2.117 0.512 0.480 0.938 0.562 CB 1.444 49 residues pruned to eliminate duplicates Z: 51 30.553 2.109 0.495 0.517 0.940 0.620 CB 1.435 51 residues pruned to eliminate duplicates Z: 49 32.947 2.128 0.590 0.528 0.958 0.625 CB 1.427 49 residues pruned to eliminate duplicates Z: 6 5.874 1.852 0.919 0.343 0.600 0.400 CB 1.461 6 residues pruned to eliminate duplicates Z: 80 43.848 2.146 0.569 0.569 0.899 0.582 CB 1.524 87 residues pruned to eliminate duplicates Z: 62 30.476 2.072 0.522 0.479 0.918 0.607 CB 1.377 49 residues pruned to eliminate duplicates Z: 6 6.194 1.691 0.210 0.540 1.000 0.400 CA 1.301 Z: 6 4.232 1.414 0.459 0.388 0.800 0.600 C 1.291 6 residues pruned to eliminate duplicates Z: 80 46.169 2.149 0.601 0.598 0.899 0.633 CB 1.529 86 residues pruned to eliminate duplicates Z: 24 24.060 2.212 0.324 0.721 0.913 0.783 CA 1.537 24 residues pruned to eliminate duplicates Z: 29 22.225 1.976 0.403 0.618 0.857 0.679 CA 1.581 29 residues pruned to eliminate duplicates Z: 16 23.032 2.200 0.479 0.725 0.933 0.867 CA 1.598 16 residues pruned to eliminate duplicates Z: 45 31.310 2.039 0.386 0.644 0.955 0.659 CB 1.528 45 residues pruned to eliminate duplicates Z: 37 30.058 2.095 0.487 0.635 0.889 0.556 CA 1.594 37 residues pruned to eliminate duplicates Z: 58 39.587 2.180 0.546 0.600 0.930 0.649 CB 1.521 58 residues pruned to eliminate duplicates Z: 33 24.063 2.033 0.418 0.531 0.875 0.625 CB 1.636 33 residues pruned to eliminate duplicates Z: 66 38.069 2.121 0.543 0.580 0.862 0.569 CB 1.549 66 residues pruned to eliminate duplicates Z: 72 41.033 2.107 0.556 0.546 0.915 0.620 CB 1.552 72 residues pruned to eliminate duplicates Z: 38 29.183 2.081 0.478 0.651 0.865 0.541 CA 1.568 38 residues pruned to eliminate duplicates Z: 47 30.116 2.007 0.393 0.591 0.957 0.587 CB 1.522 47 residues pruned to eliminate duplicates Z: 32 33.787 2.179 0.444 0.676 1.000 0.581 CA 1.640 32 residues pruned to eliminate duplicates Z: 36 31.781 2.052 0.538 0.636 0.943 0.600 CA 1.589 36 residues pruned to eliminate duplicates Z: 91 45.106 2.101 0.607 0.563 0.889 0.600 CB 1.491 91 residues pruned to eliminate duplicates Z: 48 35.936 2.036 0.619 0.635 0.936 0.660 CB 1.497 48 residues pruned to eliminate duplicates Z: 38 31.113 2.036 0.652 0.639 0.892 0.568 CB 1.497 38 residues pruned to eliminate duplicates Z: 50 33.354 1.974 0.554 0.629 0.918 0.571 CB 1.499 50 residues pruned to eliminate duplicates Z: 49 33.130 2.006 0.599 0.598 0.938 0.562 CB 1.448 49 residues pruned to eliminate duplicates Z: 92 45.767 2.106 0.540 0.570 0.912 0.549 CB 1.516 92 residues pruned to eliminate duplicates Z: 45 35.218 2.064 0.540 0.611 0.977 0.659 CB 1.538 45 residues pruned to eliminate duplicates Z: 81 40.239 2.074 0.573 0.528 0.900 0.562 CB 1.491 122 residues pruned to eliminate duplicates Z: 38 34.727 2.063 0.589 0.655 0.946 0.568 CA 1.595 38 residues pruned to eliminate duplicates Z: 42 32.628 2.039 0.596 0.595 0.927 0.390 CB 1.543 42 residues pruned to eliminate duplicates Z: 89 45.002 2.100 0.572 0.581 0.920 0.523 CB 1.461 89 residues pruned to eliminate duplicates Z: 37 29.785 2.073 0.459 0.629 0.889 0.583 CB 1.635 37 residues pruned to eliminate duplicates Z: 47 35.521 2.039 0.628 0.611 0.913 0.565 CB 1.555 47 residues pruned to eliminate duplicates Z: 102 48.543 2.077 0.594 0.565 0.941 0.554 CB 1.456 102 residues pruned to eliminate duplicates Z: 26 14.139 1.793 0.309 0.585 0.920 0.560 CB 1.207 26 residues pruned to eliminate duplicates Z: 37 33.904 2.103 0.501 0.649 0.972 0.611 CA 1.604 37 residues pruned to eliminate duplicates Z: 46 34.054 2.019 0.534 0.631 0.978 0.644 CA 1.483 46 residues pruned to eliminate duplicates Z: 50 38.330 2.013 0.690 0.625 0.939 0.551 CB 1.524 50 residues pruned to eliminate duplicates Z: 25 14.432 1.863 0.394 0.468 0.917 0.500 CB 1.279 25 residues pruned to eliminate duplicates Z: 89 48.808 2.120 0.608 0.592 0.932 0.614 CB 1.500 89 residues pruned to eliminate duplicates Z: 49 33.610 2.012 0.569 0.585 0.938 0.583 CB 1.510 49 residues pruned to eliminate duplicates Z: 9 9.437 1.792 0.455 0.634 1.000 0.750 CB 1.128 9 residues pruned to eliminate duplicates Z: 50 33.439 1.957 0.664 0.612 0.898 0.592 CA 1.470 50 residues pruned to eliminate duplicates Z: 12 11.370 1.796 0.754 0.553 0.909 0.636 CB 1.137 12 residues pruned to eliminate duplicates Z: 14 8.750 1.799 0.184 0.397 0.923 0.769 CB 1.376 14 residues pruned to eliminate duplicates Z: 11 10.340 1.905 0.305 0.436 1.000 0.500 CB 1.405 11 residues pruned to eliminate duplicates Z: 11 8.883 1.807 0.293 0.441 0.900 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 11 9.483 1.938 0.176 0.448 1.000 0.600 CB 1.388 11 residues pruned to eliminate duplicates Z: 51 33.980 1.973 0.576 0.635 0.940 0.660 CB 1.449 51 residues pruned to eliminate duplicates Z: 51 27.829 1.959 0.481 0.529 0.860 0.520 CB 1.533 51 residues pruned to eliminate duplicates Z: 27 23.683 2.102 0.612 0.537 0.923 0.577 CB 1.433 27 residues pruned to eliminate duplicates Z: 33 22.286 1.985 0.473 0.461 1.000 0.562 CB 1.402 33 residues pruned to eliminate duplicates Z: 24 29.699 2.136 0.689 0.655 1.000 0.609 CB 1.487 24 residues pruned to eliminate duplicates Z: 34 29.322 2.139 0.551 0.614 0.970 0.667 CB 1.424 34 residues pruned to eliminate duplicates Z: 35 31.930 2.117 0.615 0.613 0.971 0.618 CB 1.483 35 residues pruned to eliminate duplicates Z: 37 27.853 2.067 0.531 0.589 0.972 0.694 CB 1.385 37 residues pruned to eliminate duplicates Z: 22 29.538 2.184 0.681 0.625 1.000 0.714 CB 1.561 22 residues pruned to eliminate duplicates Z: 10 13.359 1.960 0.274 0.706 1.000 0.889 CA 1.478 10 residues pruned to eliminate duplicates Z: 22 29.643 2.216 0.548 0.653 1.000 0.714 CB 1.636 22 residues pruned to eliminate duplicates Z: 35 31.315 2.140 0.504 0.626 1.000 0.735 CB 1.482 35 residues pruned to eliminate duplicates Z: 35 32.318 2.116 0.553 0.638 1.000 0.706 CB 1.481 35 residues pruned to eliminate duplicates Z: 23 25.051 2.144 0.526 0.598 0.955 0.773 CB 1.558 23 residues pruned to eliminate duplicates Z: 35 26.737 2.090 0.459 0.595 0.971 0.824 CB 1.416 35 residues pruned to eliminate duplicates Z: 21 28.441 2.245 0.470 0.638 1.000 0.800 CB 1.693 21 residues pruned to eliminate duplicates Z: 27 24.196 2.114 0.396 0.550 1.000 0.808 CB 1.530 27 residues pruned to eliminate duplicates Z: 25 20.068 2.093 0.533 0.528 0.917 0.750 CB 1.355 25 residues pruned to eliminate duplicates Z: 24 26.053 2.097 0.685 0.549 1.000 0.652 CB 1.465 24 residues pruned to eliminate duplicates Z: 22 23.666 2.207 0.283 0.604 1.000 0.857 CB 1.652 22 residues pruned to eliminate duplicates Z: 12 18.450 2.260 0.820 0.375 1.000 0.727 CB 1.546 12 residues pruned to eliminate duplicates Z: 86 38.527 2.062 0.533 0.519 0.929 0.671 CB 1.395 86 residues pruned to eliminate duplicates Z: 25 20.958 2.050 0.694 0.507 0.958 0.750 CB 1.276 25 residues pruned to eliminate duplicates Z: 36 23.569 2.077 0.322 0.553 0.971 0.743 CB 1.418 36 residues pruned to eliminate duplicates Z: 11 17.166 2.306 0.652 0.406 1.000 0.700 CB 1.573 11 residues pruned to eliminate duplicates Z: 35 29.073 2.144 0.372 0.620 1.000 0.706 CB 1.513 35 residues pruned to eliminate duplicates Z: 37 26.596 2.038 0.431 0.573 0.972 0.722 CB 1.456 37 residues pruned to eliminate duplicates Z: 35 27.488 2.101 0.479 0.561 0.971 0.765 CB 1.474 35 residues pruned to eliminate duplicates Z: 35 29.880 2.072 0.579 0.606 0.971 0.676 CB 1.458 35 residues pruned to eliminate duplicates Z: 12 11.684 2.025 0.361 0.653 0.909 0.727 CB 1.220 12 residues pruned to eliminate duplicates Z: 13 12.019 1.952 0.455 0.587 0.917 0.750 CB 1.226 13 residues pruned to eliminate duplicates Z: 8 11.245 2.035 0.344 0.657 1.000 0.857 CB 1.344 8 residues pruned to eliminate duplicates Z: 38 24.441 2.028 0.411 0.557 0.946 0.730 CB 1.405 38 residues pruned to eliminate duplicates Z: 13 15.737 1.997 0.542 0.566 1.000 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 12 13.366 2.060 0.267 0.602 1.000 0.818 CB 1.402 12 residues pruned to eliminate duplicates Z: 12 17.413 2.090 0.485 0.605 1.000 1.000 CA 1.532 12 residues pruned to eliminate duplicates Z: 15 11.002 1.899 0.342 0.452 0.929 0.929 CB 1.305 15 residues pruned to eliminate duplicates Z: 13 13.346 2.039 0.398 0.587 0.917 0.917 CB 1.356 13 residues pruned to eliminate duplicates Z: 12 14.433 2.106 0.296 0.534 1.000 1.000 CB 1.543 12 residues pruned to eliminate duplicates Z: 11 11.874 1.948 0.630 0.572 0.800 0.600 CB 1.379 11 residues pruned to eliminate duplicates Z: 10 12.837 1.958 0.683 0.577 0.778 0.778 CB 1.550 10 residues pruned to eliminate duplicates Z: 9 19.380 2.149 0.761 0.642 1.000 0.750 CB 1.585 9 residues pruned to eliminate duplicates Z: 10 15.105 2.028 0.590 0.582 1.000 0.667 CB 1.443 12 residues pruned to eliminate duplicates Z: 6 4.476 1.667 0.673 0.286 0.800 0.600 CA 1.141 6 residues pruned to eliminate duplicates Z: 10 13.507 2.100 0.537 0.580 0.889 0.778 CB 1.453 10 residues pruned to eliminate duplicates Z: 12 13.646 2.027 0.714 0.469 0.909 0.545 CB 1.344 12 residues pruned to eliminate duplicates Z: 10 12.055 2.080 0.515 0.532 0.889 0.778 CB 1.391 10 residues pruned to eliminate duplicates Z: 11 11.269 1.917 0.354 0.575 0.900 0.700 CB 1.419 11 residues pruned to eliminate duplicates Z: 23 39.425 2.188 1.089 0.676 0.955 0.864 CB 1.639 23 residues pruned to eliminate duplicates Z: 23 38.066 2.211 0.976 0.662 0.955 0.909 CB 1.674 23 residues pruned to eliminate duplicates Z: 94 56.804 2.202 0.744 0.541 0.957 0.634 CB 1.541 95 residues pruned to eliminate duplicates Z: 13 33.934 2.167 0.934 0.905 1.000 1.000 CB 1.663 13 residues pruned to eliminate duplicates Z: 14 22.062 1.991 0.781 0.847 1.000 0.846 CB 1.281 14 residues pruned to eliminate duplicates Z: 96 52.283 2.151 0.726 0.512 0.937 0.653 CB 1.524 96 residues pruned to eliminate duplicates Z: 22 43.145 2.236 1.171 0.695 0.952 0.619 CB 1.705 23 residues pruned to eliminate duplicates Z: 14 23.471 2.046 0.657 0.858 0.923 0.692 CB 1.532 14 residues pruned to eliminate duplicates Z: 23 36.803 2.180 1.029 0.652 0.955 0.818 CB 1.612 23 residues pruned to eliminate duplicates Z: 34 40.390 2.201 0.880 0.640 0.939 0.697 CB 1.587 34 residues pruned to eliminate duplicates Z: 23 35.579 2.215 0.839 0.667 0.955 0.773 CB 1.672 23 residues pruned to eliminate duplicates Z: 35 35.568 2.165 0.723 0.615 0.941 0.824 CB 1.558 35 residues pruned to eliminate duplicates Z: 35 40.230 2.183 0.777 0.644 0.971 0.824 CB 1.602 35 residues pruned to eliminate duplicates Z: 33 39.284 2.211 0.836 0.598 0.969 0.812 CB 1.609 33 residues pruned to eliminate duplicates Z: 23 36.968 2.212 1.042 0.642 0.955 0.864 CB 1.601 23 residues pruned to eliminate duplicates Z: 148 65.488 2.195 0.630 0.566 0.925 0.673 CB 1.531 148 residues pruned to eliminate duplicates Z: 34 41.344 2.225 0.831 0.629 0.970 0.697 CB 1.614 34 residues pruned to eliminate duplicates Z: 21 39.777 2.289 0.977 0.686 1.000 0.850 CB 1.657 21 residues pruned to eliminate duplicates Z: 22 37.271 2.273 0.813 0.642 1.000 0.857 CB 1.728 22 residues pruned to eliminate duplicates Z: 33 43.164 2.276 0.781 0.644 1.000 0.812 CB 1.645 33 residues pruned to eliminate duplicates Z: 32 36.581 2.186 0.733 0.603 1.000 0.806 CB 1.572 32 residues pruned to eliminate duplicates Z: 34 38.240 2.210 0.744 0.631 0.970 0.879 CB 1.576 34 residues pruned to eliminate duplicates Z: 137 68.180 2.204 0.641 0.567 0.956 0.713 CB 1.586 137 residues pruned to eliminate duplicates Z: 10 19.648 2.210 0.523 0.615 1.000 0.667 CB 1.744 10 residues pruned to eliminate duplicates Z: 35 35.088 2.189 0.737 0.632 0.941 0.824 CB 1.485 35 residues pruned to eliminate duplicates Z: 94 49.802 2.188 0.602 0.550 0.925 0.710 CB 1.517 94 residues pruned to eliminate duplicates Z: 35 36.373 2.202 0.728 0.618 1.000 0.676 CB 1.466 35 residues pruned to eliminate duplicates Z: 13 14.327 2.082 0.445 0.480 0.917 0.667 CB 1.531 13 residues pruned to eliminate duplicates Z: 12 14.274 2.127 0.402 0.522 0.909 0.727 CB 1.553 12 residues pruned to eliminate duplicates Z: 10 17.974 2.272 0.408 0.556 1.000 1.000 CB 1.773 10 residues pruned to eliminate duplicates Z: 72 37.496 2.183 0.534 0.492 0.887 0.676 CB 1.509 72 residues pruned to eliminate duplicates Z: 12 15.666 2.104 0.577 0.491 0.909 0.818 CB 1.580 12 residues pruned to eliminate duplicates Z: 114 51.952 2.189 0.593 0.527 0.894 0.673 CB 1.527 114 residues pruned to eliminate duplicates Z: 70 38.609 2.199 0.598 0.486 0.899 0.667 CB 1.493 70 residues pruned to eliminate duplicates Z: 35 28.248 2.093 0.680 0.563 0.882 0.647 CB 1.469 35 residues pruned to eliminate duplicates Z: 48 34.649 2.210 0.633 0.502 0.894 0.638 CB 1.564 48 residues pruned to eliminate duplicates Z: 106 49.375 2.148 0.524 0.553 0.924 0.648 CB 1.513 106 residues pruned to eliminate duplicates Z: 58 40.126 2.227 0.705 0.521 0.877 0.684 CB 1.562 58 residues pruned to eliminate duplicates Z: 24 13.636 1.916 0.435 0.532 0.913 0.696 CB 1.098 24 residues pruned to eliminate duplicates Z: 34 28.164 2.072 0.556 0.599 0.909 0.727 CB 1.521 34 residues pruned to eliminate duplicates Z: 110 52.987 2.187 0.720 0.505 0.899 0.578 CB 1.493 110 residues pruned to eliminate duplicates Z: 108 48.951 2.169 0.656 0.486 0.907 0.570 CB 1.474 108 residues pruned to eliminate duplicates Z: 33 27.776 2.110 0.556 0.596 0.906 0.688 CB 1.506 33 residues pruned to eliminate duplicates Z: 137 56.980 2.200 0.597 0.521 0.897 0.596 CB 1.517 137 residues pruned to eliminate duplicates Z: 135 55.415 2.166 0.606 0.506 0.925 0.590 CB 1.480 135 residues pruned to eliminate duplicates Z: 25 28.517 2.081 0.604 0.619 1.000 0.583 CB 1.558 25 residues pruned to eliminate duplicates Z: 106 57.758 2.202 0.682 0.550 0.924 0.648 CB 1.568 106 residues pruned to eliminate duplicates Z: 21 13.980 1.976 0.568 0.525 0.950 0.600 CB 1.035 21 residues pruned to eliminate duplicates Z: 43 33.839 2.189 0.550 0.503 0.952 0.524 CB 1.611 43 residues pruned to eliminate duplicates Z: 27 25.593 2.010 0.542 0.626 0.962 0.654 CA 1.495 27 residues pruned to eliminate duplicates Z: 58 41.514 2.242 0.646 0.530 0.912 0.614 CB 1.586 58 residues pruned to eliminate duplicates Z: 126 55.381 2.197 0.615 0.527 0.904 0.640 CB 1.504 126 residues pruned to eliminate duplicates Z: 46 31.490 2.185 0.547 0.476 0.911 0.667 CB 1.561 46 residues pruned to eliminate duplicates Z: 97 53.459 2.215 0.590 0.545 0.927 0.646 CB 1.598 97 residues pruned to eliminate duplicates Z: 58 42.506 2.224 0.793 0.518 0.895 0.702 CB 1.550 58 residues pruned to eliminate duplicates Z: 42 29.734 2.089 0.652 0.572 0.854 0.683 CB 1.471 42 residues pruned to eliminate duplicates Z: 27 22.964 1.965 0.601 0.592 0.885 0.500 CA 1.482 27 residues pruned to eliminate duplicates Z: 58 42.846 2.223 0.727 0.522 0.912 0.649 CB 1.586 58 residues pruned to eliminate duplicates Z: 16 16.186 2.007 0.637 0.537 0.867 0.667 CA 1.415 16 residues pruned to eliminate duplicates Z: 45 34.194 2.171 0.622 0.516 0.932 0.636 CB 1.546 45 residues pruned to eliminate duplicates Z: 39 38.568 2.296 0.662 0.509 0.947 0.658 CB 1.715 39 residues pruned to eliminate duplicates Z: 84 53.195 2.270 0.583 0.549 0.916 0.590 CB 1.690 84 residues pruned to eliminate duplicates Z: 60 41.780 2.215 0.673 0.515 0.949 0.627 CB 1.523 60 residues pruned to eliminate duplicates Z: 59 40.768 2.228 0.690 0.523 0.897 0.586 CB 1.551 59 residues pruned to eliminate duplicates Z: 105 51.387 2.180 0.594 0.529 0.913 0.683 CB 1.542 105 residues pruned to eliminate duplicates Z: 113 51.666 2.189 0.631 0.500 0.920 0.616 CB 1.487 113 residues pruned to eliminate duplicates Z: 106 54.648 2.221 0.593 0.554 0.914 0.638 CB 1.565 106 residues pruned to eliminate duplicates Z: 50 40.238 2.241 0.610 0.558 0.959 0.592 CB 1.570 50 residues pruned to eliminate duplicates Z: 51 35.527 2.204 0.663 0.499 0.880 0.540 CB 1.560 51 residues pruned to eliminate duplicates Z: 76 44.839 2.197 0.615 0.533 0.907 0.667 CB 1.557 76 residues pruned to eliminate duplicates Z: 99 50.519 2.193 0.641 0.508 0.939 0.592 CB 1.498 99 residues pruned to eliminate duplicates Z: 137 56.710 2.192 0.602 0.520 0.919 0.669 CB 1.477 137 residues pruned to eliminate duplicates Z: 106 53.604 2.202 0.624 0.552 0.924 0.638 CB 1.506 106 residues pruned to eliminate duplicates Z: 58 40.813 2.224 0.639 0.518 0.930 0.667 CB 1.565 58 residues pruned to eliminate duplicates Z: 91 51.429 2.210 0.543 0.572 0.933 0.700 CB 1.588 91 residues pruned to eliminate duplicates Z: 76 45.396 2.180 0.640 0.541 0.920 0.640 CB 1.531 76 residues pruned to eliminate duplicates Z: 113 57.734 2.181 0.623 0.588 0.946 0.661 CB 1.497 113 residues pruned to eliminate duplicates Z: 108 47.881 2.147 0.666 0.500 0.888 0.561 CB 1.457 108 residues pruned to eliminate duplicates Z: 48 33.847 2.215 0.651 0.493 0.872 0.596 CB 1.559 48 residues pruned to eliminate duplicates Z: 134 54.596 2.193 0.554 0.523 0.902 0.594 CB 1.504 134 residues pruned to eliminate duplicates Z: 124 52.674 2.179 0.626 0.502 0.911 0.618 CB 1.469 124 residues pruned to eliminate duplicates Z: 91 55.228 2.263 0.583 0.540 0.933 0.656 CB 1.674 91 residues pruned to eliminate duplicates Z: 128 59.854 2.191 0.618 0.541 0.953 0.622 CB 1.510 128 residues pruned to eliminate duplicates Z: 113 55.017 2.183 0.573 0.555 0.938 0.696 CB 1.531 113 residues pruned to eliminate duplicates Z: 104 56.124 2.224 0.533 0.566 0.951 0.709 CB 1.598 104 residues pruned to eliminate duplicates Z: 40 31.174 2.266 0.560 0.470 0.872 0.641 CB 1.670 40 residues pruned to eliminate duplicates Z: 56 37.756 2.224 0.653 0.504 0.891 0.636 CB 1.548 56 residues pruned to eliminate duplicates Z: 133 56.140 2.207 0.574 0.524 0.902 0.621 CB 1.523 133 residues pruned to eliminate duplicates Z: 132 57.184 2.195 0.571 0.535 0.924 0.656 CB 1.516 132 residues pruned to eliminate duplicates Z: 148 56.601 2.189 0.588 0.509 0.891 0.585 CB 1.494 148 residues pruned to eliminate duplicates Z: 57 45.018 2.292 0.616 0.547 0.982 0.643 CB 1.580 57 residues pruned to eliminate duplicates Z: 107 52.167 2.199 0.583 0.559 0.906 0.708 CB 1.517 107 residues pruned to eliminate duplicates Z: 108 55.544 2.202 0.604 0.563 0.935 0.664 CB 1.530 108 residues pruned to eliminate duplicates Z: 114 56.832 2.194 0.570 0.576 0.947 0.673 CB 1.523 114 residues pruned to eliminate duplicates Z: 93 53.561 2.222 0.613 0.569 0.913 0.674 CB 1.597 93 residues pruned to eliminate duplicates Z: 87 55.359 2.227 0.608 0.556 0.965 0.686 CB 1.635 87 residues pruned to eliminate duplicates Z: 77 37.644 2.127 0.541 0.534 0.908 0.697 CB 1.403 77 residues pruned to eliminate duplicates Z: 52 40.178 2.172 0.539 0.626 0.941 0.745 CB 1.589 52 residues pruned to eliminate duplicates Z: 29 20.978 2.053 0.424 0.603 0.857 0.714 CB 1.434 29 residues pruned to eliminate duplicates Z: 104 60.010 2.213 0.643 0.576 0.942 0.689 CB 1.605 104 residues pruned to eliminate duplicates Z: 51 40.960 2.191 0.537 0.638 0.940 0.760 CB 1.608 51 residues pruned to eliminate duplicates Z: 137 62.108 2.194 0.631 0.556 0.934 0.618 CB 1.510 137 residues pruned to eliminate duplicates Z: 84 50.358 2.185 0.707 0.526 0.916 0.651 CB 1.578 84 residues pruned to eliminate duplicates Z: 126 59.639 2.185 0.667 0.531 0.912 0.576 CB 1.557 126 residues pruned to eliminate duplicates Z: 131 59.389 2.183 0.640 0.530 0.938 0.662 CB 1.505 131 residues pruned to eliminate duplicates Z: 52 42.620 2.170 0.696 0.619 0.961 0.667 CB 1.508 52 residues pruned to eliminate duplicates Z: 80 50.326 2.224 0.678 0.585 0.924 0.684 CB 1.514 80 residues pruned to eliminate duplicates Z: 80 47.405 2.176 0.675 0.561 0.924 0.658 CB 1.492 80 residues pruned to eliminate duplicates Z: 51 47.702 2.194 0.694 0.656 0.980 0.740 CB 1.602 51 residues pruned to eliminate duplicates Z: 83 44.634 2.143 0.695 0.529 0.902 0.573 CB 1.462 83 residues pruned to eliminate duplicates Z: 51 47.461 2.175 0.823 0.653 0.940 0.660 CB 1.562 51 residues pruned to eliminate duplicates Z: 106 58.683 2.223 0.707 0.567 0.914 0.648 CB 1.547 106 residues pruned to eliminate duplicates Z: 81 53.164 2.214 0.774 0.577 0.925 0.663 CB 1.518 81 residues pruned to eliminate duplicates Z: 27 32.363 2.207 0.734 0.612 0.923 0.731 CB 1.616 27 residues pruned to eliminate duplicates Z: 84 45.943 2.138 0.670 0.550 0.916 0.602 CB 1.470 84 residues pruned to eliminate duplicates Z: 28 28.988 2.184 0.549 0.591 0.926 0.704 CB 1.634 28 residues pruned to eliminate duplicates Z: 111 60.161 2.226 0.718 0.529 0.927 0.618 CB 1.572 111 residues pruned to eliminate duplicates Z: 35 36.271 2.172 0.625 0.608 0.971 0.676 CB 1.640 35 residues pruned to eliminate duplicates Z: 112 61.595 2.213 0.741 0.579 0.901 0.667 CB 1.561 112 residues pruned to eliminate duplicates Z: 27 30.138 2.218 0.615 0.618 0.885 0.692 CA 1.668 27 residues pruned to eliminate duplicates Z: 31 35.582 2.217 0.723 0.588 0.933 0.667 CA 1.676 31 residues pruned to eliminate duplicates Z: 52 46.808 2.178 0.773 0.645 0.961 0.588 CB 1.542 52 residues pruned to eliminate duplicates Z: 58 38.394 2.120 0.577 0.577 0.912 0.614 CB 1.548 48 residues pruned to eliminate duplicates Z: 9 11.268 1.932 0.613 0.721 0.875 0.500 CA 1.197 9 residues pruned to eliminate duplicates Z: 26 29.596 2.217 0.638 0.599 0.920 0.720 CB 1.612 26 residues pruned to eliminate duplicates Z: 38 24.209 2.078 0.556 0.498 0.838 0.568 CB 1.472 38 residues pruned to eliminate duplicates Z: 112 63.884 2.206 0.765 0.577 0.946 0.667 CB 1.529 112 residues pruned to eliminate duplicates Z: 99 60.803 2.207 0.754 0.583 0.949 0.633 CB 1.544 99 residues pruned to eliminate duplicates Z: 53 47.422 2.161 0.840 0.621 0.962 0.712 CB 1.534 53 residues pruned to eliminate duplicates Z: 29 28.022 2.119 0.713 0.587 0.893 0.643 CB 1.503 29 residues pruned to eliminate duplicates Z: 34 35.399 2.268 0.559 0.634 0.909 0.697 CA 1.691 34 residues pruned to eliminate duplicates Z: 58 49.038 2.183 0.746 0.636 0.965 0.702 CB 1.554 58 residues pruned to eliminate duplicates Z: 58 45.650 2.177 0.753 0.633 0.912 0.596 CB 1.534 58 residues pruned to eliminate duplicates Z: 52 45.304 2.161 0.827 0.634 0.941 0.686 CB 1.506 52 residues pruned to eliminate duplicates Z: 28 32.245 2.210 0.632 0.606 0.926 0.778 CA 1.679 28 residues pruned to eliminate duplicates Z: 57 50.127 2.216 0.767 0.637 0.946 0.661 CB 1.590 57 residues pruned to eliminate duplicates Z: 137 59.691 2.187 0.675 0.525 0.919 0.625 CB 1.484 137 residues pruned to eliminate duplicates Z: 133 59.177 2.187 0.656 0.526 0.932 0.598 CB 1.487 133 residues pruned to eliminate duplicates Z: 33 29.199 2.188 0.534 0.555 0.906 0.688 CB 1.609 33 residues pruned to eliminate duplicates Z: 58 46.608 2.196 0.707 0.631 0.965 0.649 CB 1.509 58 residues pruned to eliminate duplicates Z: 35 33.776 2.217 0.504 0.619 0.941 0.676 CB 1.650 35 residues pruned to eliminate duplicates Z: 117 61.330 2.219 0.658 0.546 0.948 0.638 CB 1.561 117 residues pruned to eliminate duplicates Z: 138 58.631 2.179 0.664 0.538 0.891 0.606 CB 1.495 138 residues pruned to eliminate duplicates Z: 59 34.159 2.151 0.573 0.505 0.897 0.569 CB 1.471 59 residues pruned to eliminate duplicates Z: 82 46.807 2.174 0.700 0.560 0.901 0.630 CB 1.473 82 residues pruned to eliminate duplicates Z: 82 46.884 2.183 0.650 0.558 0.914 0.654 CB 1.497 82 residues pruned to eliminate duplicates Z: 135 61.876 2.196 0.699 0.543 0.933 0.619 CB 1.473 135 residues pruned to eliminate duplicates Z: 138 55.962 2.163 0.611 0.533 0.927 0.620 CB 1.433 138 residues pruned to eliminate duplicates Z: 39 23.793 2.094 0.585 0.444 0.895 0.474 CB 1.377 16 residues pruned to eliminate duplicates Z: 6 5.286 1.661 0.820 0.289 0.800 0.400 CB 1.240 6 residues pruned to eliminate duplicates Z: 58 37.252 2.183 0.637 0.539 0.895 0.614 CB 1.484 93 residues pruned to eliminate duplicates Z: 6 6.065 1.757 0.801 0.277 0.800 0.600 CA 1.379 6 residues pruned to eliminate duplicates Z: 12 16.606 1.965 1.004 0.602 0.909 0.636 CB 1.269 12 residues pruned to eliminate duplicates Z: 10 16.092 2.127 0.475 0.702 1.000 0.778 CB 1.422 10 residues pruned to eliminate duplicates Z: 11 16.370 2.041 0.809 0.678 0.900 0.700 CB 1.323 11 residues pruned to eliminate duplicates Z: 11 15.028 2.048 0.752 0.652 0.900 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 49 19.557 1.994 0.599 0.395 0.896 0.500 CB 1.105 49 residues pruned to eliminate duplicates Z: 19 15.893 2.018 0.770 0.421 0.833 0.389 CB 1.367 19 residues pruned to eliminate duplicates Z: 27 20.227 2.080 0.786 0.470 0.885 0.538 CB 1.245 27 residues pruned to eliminate duplicates Z: 25 28.568 2.151 0.954 0.554 0.958 0.625 CB 1.374 25 residues pruned to eliminate duplicates Z: 41 22.851 2.003 0.683 0.445 0.925 0.575 CB 1.226 41 residues pruned to eliminate duplicates Z: 42 25.884 2.067 0.760 0.445 0.902 0.561 CB 1.303 42 residues pruned to eliminate duplicates Z: 27 24.017 2.072 0.809 0.546 0.885 0.577 CB 1.357 27 residues pruned to eliminate duplicates Z: 153 62.244 2.187 0.654 0.533 0.914 0.612 CB 1.477 153 residues pruned to eliminate duplicates Z: 29 23.888 2.114 0.828 0.516 0.857 0.571 CB 1.342 29 residues pruned to eliminate duplicates Z: 38 20.500 1.976 0.638 0.435 0.865 0.541 CB 1.287 38 residues pruned to eliminate duplicates Z: 39 17.194 1.984 0.560 0.423 0.763 0.421 CB 1.278 39 residues pruned to eliminate duplicates Z: 28 24.545 2.026 0.864 0.502 0.926 0.481 CB 1.348 28 residues pruned to eliminate duplicates Z: 20 12.345 1.937 0.508 0.432 0.842 0.526 CB 1.235 20 residues pruned to eliminate duplicates Z: 146 60.153 2.171 0.643 0.546 0.924 0.641 CB 1.449 146 residues pruned to eliminate duplicates Z: 100 51.874 2.160 0.687 0.561 0.929 0.606 CB 1.451 100 residues pruned to eliminate duplicates Z: 47 22.388 1.990 0.566 0.445 0.891 0.522 CB 1.257 47 residues pruned to eliminate duplicates 325 residues left after pruning, divided into chains as follows: A: 141 B: 184 CC for partial structure against native data = 37.35 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.426, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.481, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.577, Connect. = 0.787 for dens.mod. cycle 3 = 0.300, Contrast = 0.576, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.583, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.583, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.587, Connect. = 0.792 for dens.mod. cycle 7 = 0.300, Contrast = 0.588, Connect. = 0.792 for dens.mod. cycle 8 = 0.300, Contrast = 0.589, Connect. = 0.794 for dens.mod. cycle 9 = 0.300, Contrast = 0.590, 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 0.651 0.661 0.653 0.647 0.672 0.656 0.588 0.525 0.496 0.456 0.791 0.813 0.815 0.803 0.813 0.799 0.713 0.644 0.601 0.545 N 3820 3834 3901 3786 3833 3924 3865 3861 4043 3321 Estimated mean FOM = 0.602 Pseudo-free CC = 62.54 % Best trace (cycle 3 with CC 42.02%) was saved as ./2fur-1.8-parrot-mrncs/2fur-1.8-parrot-mrncs.pdb ============================================================================== TimeTaking 224.47