++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:41:34 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: ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.ins Phases from ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.phi Native data from ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.hkl Listing output to ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.lst Phases output to ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.phs Poly-Ala trace output to ./2p7i-1.7-parrot-mrncs/2p7i-1.7-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: I 4 2 2 Allowed origin shift code: 10 56831 Reflections read from file ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.phi 56831 Reflections read from file ./2p7i-1.7-parrot-mrncs/2p7i-1.7-parrot-mrncs.hkl 56831 Unique data, highest resolution = 1.740 Angstroms Anisotropic scaling: intensities multiplied by 0.000038h^2 +0.000038k^2 -0.000037l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.940 and 0 in range 1.940 > d > 1.740 added Density sharpening factor set to 1.14 Fourier grid = 256 x 256 x 66 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|> = 0.656 = 0.300, Contrast = 0.554, Connect. = 0.775 for dens.mod. cycle 1 = 0.300, Contrast = 0.642, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.762, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.788, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.800, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.807, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.811, Connect. = 0.812 for dens.mod. cycle 7 = 0.300, Contrast = 0.813, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.814, Connect. = 0.814 for dens.mod. cycle 9 = 0.300, Contrast = 0.815, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1813 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 486 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 26.824 2.086 0.598 0.801 1.000 0.667 CB 1.597 B: 13 34.731 2.375 0.771 0.872 0.917 0.833 CB 1.896 16 residues pruned to eliminate duplicates C: 11 32.711 2.423 0.752 0.912 0.900 0.900 CA 1.918 11 residues pruned to eliminate duplicates D: 13 32.566 2.264 0.851 0.915 0.917 0.917 CB 1.730 E: 13 38.353 2.282 0.935 0.858 0.917 0.833 CA 2.015 12 residues pruned to eliminate duplicates F: 13 39.774 2.238 1.149 0.898 1.000 0.750 CB 1.708 G: 16 22.301 2.072 0.871 0.843 0.733 0.467 CB 1.508 H: 63 59.796 2.338 1.090 0.566 0.919 0.694 CB 1.585 27 residues pruned to eliminate duplicates I: 15 34.384 2.263 1.294 0.911 1.000 0.429 CB 1.254 J: 13 33.689 2.262 0.912 0.893 1.000 0.833 CB 1.614 13 residues pruned to eliminate duplicates K: 12 40.349 2.303 1.099 0.930 1.000 0.909 CA 1.760 L: 20 28.421 2.265 0.914 0.771 0.895 0.737 CB 1.322 20 residues pruned to eliminate duplicates M: 11 20.024 2.069 0.375 0.873 1.000 0.900 CA 1.621 N: 18 25.825 1.915 0.844 0.847 0.882 0.588 CB 1.491 11 residues pruned to eliminate duplicates O: 13 39.613 2.326 1.231 0.940 0.917 0.750 CB 1.669 13 residues pruned to eliminate duplicates P: 12 27.203 2.321 0.740 0.823 0.909 0.636 CB 1.690 12 residues pruned to eliminate duplicates Q: 14 38.842 2.216 1.075 0.891 1.000 0.769 CA 1.685 12 residues pruned to eliminate duplicates R: 14 27.689 2.355 0.786 0.878 0.769 0.692 CB 1.723 14 residues pruned to eliminate duplicates S: 13 39.538 2.368 1.065 0.891 1.000 0.750 CB 1.678 14 residues pruned to eliminate duplicates T: 31 43.831 2.296 1.085 0.617 0.967 0.733 CB 1.547 16 residues pruned to eliminate duplicates U: 28 50.826 2.333 1.410 0.681 0.963 0.704 CB 1.530 31 residues pruned to eliminate duplicates V: 7 17.825 2.441 0.582 0.800 0.833 0.833 CB 1.741 8 residues pruned to eliminate duplicates W: 8 22.240 2.200 1.133 0.861 0.857 0.714 CB 1.536 8 residues pruned to eliminate duplicates X: 16 29.750 2.181 0.742 0.872 1.000 0.600 CB 1.474 16 residues pruned to eliminate duplicates Y: 13 33.497 2.360 0.764 0.898 1.000 0.917 CB 1.662 Z: 61 34.016 1.978 0.820 0.500 0.900 0.667 CB 1.355 Z: 13 44.444 2.329 1.214 0.936 0.917 0.833 CA 1.889 13 residues pruned to eliminate duplicates Z: 20 25.084 2.086 0.534 0.770 1.000 0.789 CB 1.416 20 residues pruned to eliminate duplicates Z: 25 37.729 2.420 1.027 0.668 0.917 0.542 CB 1.466 13 residues pruned to eliminate duplicates Z: 12 29.020 2.176 0.844 0.939 1.000 0.909 CB 1.515 12 residues pruned to eliminate duplicates Z: 15 38.778 2.092 1.209 0.885 1.000 0.714 CB 1.619 15 residues pruned to eliminate duplicates Z: 27 42.368 2.405 1.277 0.538 0.846 0.500 CB 1.728 66 residues pruned to eliminate duplicates Z: 6 7.490 2.123 0.358 0.792 0.800 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 7 9.751 2.052 0.345 0.771 0.833 0.667 CA 1.361 7 residues pruned to eliminate duplicates Z: 16 25.889 2.094 0.733 0.843 0.933 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 13 26.675 2.072 0.884 0.763 0.917 0.750 CB 1.703 13 residues pruned to eliminate duplicates Z: 18 20.495 2.175 1.101 0.531 0.765 0.588 CB 1.379 18 residues pruned to eliminate duplicates Z: 15 29.929 2.169 1.084 0.843 0.929 0.857 CB 1.419 15 residues pruned to eliminate duplicates Z: 16 36.108 2.271 1.066 0.926 1.000 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 13 24.374 2.117 0.903 0.865 0.750 0.417 CB 1.706 Z: 18 29.155 2.163 0.563 0.840 0.941 0.588 CA 1.658 15 residues pruned to eliminate duplicates Z: 30 45.224 2.319 1.194 0.623 0.966 0.586 CB 1.522 30 residues pruned to eliminate duplicates Z: 15 36.037 2.270 1.101 0.921 1.000 0.857 CB 1.421 15 residues pruned to eliminate duplicates Z: 19 24.007 2.108 0.566 0.791 1.000 0.778 CB 1.328 19 residues pruned to eliminate duplicates Z: 52 27.578 2.007 0.882 0.474 0.863 0.549 CB 1.216 24 residues pruned to eliminate duplicates Z: 12 44.948 2.413 1.051 0.882 1.000 0.727 CA 1.982 12 residues pruned to eliminate duplicates Z: 112 72.376 2.336 1.155 0.483 0.892 0.595 CB 1.556 108 residues pruned to eliminate duplicates Z: 11 44.824 2.524 1.050 0.922 1.000 1.000 CB 1.926 11 residues pruned to eliminate duplicates Z: 30 48.016 2.334 1.277 0.656 0.966 0.655 CB 1.503 29 residues pruned to eliminate duplicates Z: 15 29.606 2.162 0.794 0.872 0.857 0.571 CB 1.735 13 residues pruned to eliminate duplicates Z: 15 23.883 2.213 0.683 0.810 0.786 0.714 CA 1.665 15 residues pruned to eliminate duplicates Z: 14 36.816 2.223 1.062 0.898 1.000 0.923 CB 1.593 14 residues pruned to eliminate duplicates Z: 18 25.354 2.103 0.476 0.809 0.941 0.647 CB 1.608 18 residues pruned to eliminate duplicates Z: 15 33.479 2.014 0.978 0.907 1.000 0.786 CA 1.597 15 residues pruned to eliminate duplicates Z: 24 24.003 2.042 1.100 0.422 0.957 0.696 CB 1.323 21 residues pruned to eliminate duplicates Z: 8 9.677 1.861 0.547 0.602 0.857 0.286 CA 1.344 8 residues pruned to eliminate duplicates Z: 15 24.345 2.080 0.960 0.876 0.786 0.786 CA 1.476 15 residues pruned to eliminate duplicates Z: 15 32.285 2.253 1.116 0.927 1.000 0.643 CB 1.268 15 residues pruned to eliminate duplicates Z: 16 19.794 2.021 0.438 0.769 0.933 0.867 CA 1.485 16 residues pruned to eliminate duplicates Z: 16 26.313 2.106 0.901 0.936 1.000 0.667 CB 1.182 16 residues pruned to eliminate duplicates Z: 15 33.123 2.223 0.991 0.913 0.929 0.571 CB 1.524 15 residues pruned to eliminate duplicates Z: 29 40.362 2.235 1.219 0.520 0.893 0.607 CB 1.689 12 residues pruned to eliminate duplicates Z: 50 33.431 2.120 0.802 0.533 0.959 0.551 CB 1.262 49 residues pruned to eliminate duplicates Z: 18 29.793 2.046 0.991 0.850 0.882 0.529 CB 1.489 18 residues pruned to eliminate duplicates Z: 8 16.345 1.723 0.927 0.755 1.000 0.429 N 1.482 8 residues pruned to eliminate duplicates Z: 7 13.002 1.925 1.151 0.532 1.000 0.500 CA 1.242 7 residues pruned to eliminate duplicates Z: 15 25.792 2.086 0.697 0.856 1.000 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 12 39.830 2.433 0.947 0.902 1.000 1.000 CB 1.810 12 residues pruned to eliminate duplicates Z: 13 18.337 2.152 0.143 0.835 0.917 0.750 CA 1.759 13 residues pruned to eliminate duplicates Z: 58 29.355 1.861 0.629 0.619 0.877 0.596 CB 1.307 17 residues pruned to eliminate duplicates Z: 109 80.161 2.355 1.128 0.508 0.935 0.657 CB 1.632 111 residues pruned to eliminate duplicates Z: 29 49.688 2.399 1.226 0.661 1.000 0.679 CB 1.515 29 residues pruned to eliminate duplicates Z: 45 55.963 2.482 1.083 0.505 0.909 0.591 CB 1.785 45 residues pruned to eliminate duplicates Z: 14 31.968 2.247 0.803 0.895 0.923 0.769 CB 1.699 14 residues pruned to eliminate duplicates Z: 16 26.061 1.969 0.642 0.861 0.933 0.667 CA 1.638 16 residues pruned to eliminate duplicates Z: 75 63.667 2.441 1.160 0.492 0.865 0.581 CB 1.636 75 residues pruned to eliminate duplicates Z: 13 37.293 2.297 1.249 0.768 1.000 0.667 CB 1.644 16 residues pruned to eliminate duplicates Z: 26 38.995 2.396 1.160 0.585 0.880 0.680 CB 1.577 26 residues pruned to eliminate duplicates Z: 29 30.828 2.181 1.234 0.459 0.857 0.643 CB 1.455 29 residues pruned to eliminate duplicates Z: 34 34.649 2.283 1.022 0.514 0.879 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 14 33.876 2.171 1.024 0.869 0.923 0.615 CA 1.692 14 residues pruned to eliminate duplicates Z: 14 31.153 2.132 0.892 0.901 1.000 0.923 CB 1.528 14 residues pruned to eliminate duplicates Z: 6 3.093 1.531 0.111 0.720 0.800 0.800 N 0.833 Z: 16 23.477 2.150 0.471 0.802 0.933 0.667 CB 1.578 16 residues pruned to eliminate duplicates Z: 43 33.658 2.096 1.026 0.446 0.881 0.643 CB 1.468 31 residues pruned to eliminate duplicates Z: 101 71.378 2.348 1.085 0.514 0.900 0.640 CB 1.598 101 residues pruned to eliminate duplicates Z: 6 8.268 2.126 0.497 0.783 0.800 0.800 CA 1.131 6 residues pruned to eliminate duplicates Z: 73 56.464 2.387 1.084 0.469 0.861 0.556 CB 1.604 73 residues pruned to eliminate duplicates Z: 15 21.247 1.990 0.727 0.878 0.857 0.786 CB 1.399 Z: 58 38.935 2.078 0.702 0.609 0.930 0.667 CB 1.414 14 residues pruned to eliminate duplicates Z: 19 13.594 1.900 0.418 0.445 1.000 0.722 CB 1.258 18 residues pruned to eliminate duplicates Z: 13 27.907 2.152 0.795 0.903 0.917 0.917 CA 1.622 13 residues pruned to eliminate duplicates Z: 53 57.933 2.404 1.217 0.503 0.923 0.673 CB 1.628 53 residues pruned to eliminate duplicates Z: 16 35.857 2.181 1.205 0.893 1.000 0.533 CB 1.382 16 residues pruned to eliminate duplicates Z: 18 29.410 2.134 0.636 0.794 0.941 0.588 CB 1.678 18 residues pruned to eliminate duplicates Z: 20 28.767 2.254 1.254 0.468 0.947 0.684 CB 1.417 20 residues pruned to eliminate duplicates Z: 11 15.026 1.905 0.475 0.856 0.900 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 12 34.820 2.463 0.648 0.885 1.000 0.818 CB 1.868 12 residues pruned to eliminate duplicates Z: 11 29.876 2.304 1.245 0.875 0.800 0.700 CB 1.660 11 residues pruned to eliminate duplicates Z: 37 36.960 2.265 1.038 0.467 0.861 0.611 CB 1.603 34 residues pruned to eliminate duplicates Z: 16 23.327 2.175 0.513 0.834 0.867 0.667 CB 1.582 16 residues pruned to eliminate duplicates Z: 15 24.266 2.245 0.434 0.852 0.857 0.571 CB 1.738 15 residues pruned to eliminate duplicates Z: 42 35.698 2.244 1.068 0.497 0.878 0.512 CB 1.372 78 residues pruned to eliminate duplicates Z: 16 26.106 2.029 0.920 0.901 1.000 0.867 CB 1.235 16 residues pruned to eliminate duplicates Z: 40 22.458 1.753 0.833 0.590 0.897 0.718 CB 1.144 40 residues pruned to eliminate duplicates Z: 13 37.871 2.112 1.539 0.933 1.000 0.917 CB 1.422 13 residues pruned to eliminate duplicates Z: 50 42.278 2.236 1.003 0.489 0.918 0.531 CB 1.485 39 residues pruned to eliminate duplicates Z: 6 13.229 2.067 0.561 0.715 1.000 0.600 CA 1.509 6 residues pruned to eliminate duplicates Z: 13 23.665 2.005 0.927 0.894 0.833 0.750 CB 1.522 13 residues pruned to eliminate duplicates Z: 14 36.313 2.160 1.199 0.874 0.846 0.769 CA 1.823 14 residues pruned to eliminate duplicates Z: 47 53.810 2.347 1.281 0.503 0.913 0.587 CB 1.618 47 residues pruned to eliminate duplicates Z: 82 53.229 2.137 1.017 0.471 0.951 0.605 CB 1.487 85 residues pruned to eliminate duplicates Z: 21 21.085 2.104 0.679 0.793 0.900 0.700 CB 1.147 Z: 17 21.753 1.955 0.653 0.803 0.875 0.688 CB 1.476 17 residues pruned to eliminate duplicates Z: 43 37.998 2.053 1.059 0.496 0.905 0.595 CB 1.540 43 residues pruned to eliminate duplicates Z: 61 37.086 2.056 0.576 0.630 0.917 0.650 CB 1.427 61 residues pruned to eliminate duplicates Z: 51 36.394 2.198 0.870 0.470 0.920 0.600 CB 1.404 51 residues pruned to eliminate duplicates Z: 15 10.471 2.091 0.948 0.477 0.714 0.571 CB 0.985 15 residues pruned to eliminate duplicates Z: 50 32.389 2.091 0.760 0.522 0.959 0.633 CB 1.282 71 residues pruned to eliminate duplicates Z: 19 20.083 2.211 0.488 0.845 0.889 0.722 CB 1.204 Z: 16 25.295 2.107 0.611 0.825 0.867 0.800 CA 1.676 16 residues pruned to eliminate duplicates Z: 17 28.270 2.144 0.630 0.802 1.000 0.625 CB 1.553 17 residues pruned to eliminate duplicates Z: 43 27.086 1.891 0.678 0.569 0.881 0.690 CB 1.399 41 residues pruned to eliminate duplicates Z: 92 60.418 2.350 0.933 0.452 0.879 0.571 CB 1.666 92 residues pruned to eliminate duplicates Z: 32 47.986 2.274 1.220 0.645 0.968 0.742 CB 1.541 29 residues pruned to eliminate duplicates Z: 19 20.421 1.984 0.534 0.779 0.889 0.500 CB 1.391 18 residues pruned to eliminate duplicates Z: 69 44.709 2.294 1.047 0.388 0.838 0.441 CB 1.550 69 residues pruned to eliminate duplicates Z: 16 21.577 1.921 0.473 0.815 1.000 0.800 CB 1.497 16 residues pruned to eliminate duplicates Z: 20 41.601 2.388 1.037 0.669 1.000 0.632 CB 1.678 20 residues pruned to eliminate duplicates Z: 10 18.178 1.986 0.747 0.843 0.889 0.556 CB 1.463 10 residues pruned to eliminate duplicates Z: 17 23.057 2.137 0.426 0.790 1.000 0.688 CB 1.467 17 residues pruned to eliminate duplicates Z: 16 25.892 2.130 0.705 0.933 1.000 0.933 CB 1.284 16 residues pruned to eliminate duplicates Z: 11 16.019 1.707 0.854 0.908 1.000 0.800 CB 1.136 12 residues pruned to eliminate duplicates Z: 26 18.250 1.945 0.885 0.342 0.880 0.640 CB 1.344 26 residues pruned to eliminate duplicates Z: 18 31.311 2.287 0.562 0.780 1.000 0.706 CB 1.662 18 residues pruned to eliminate duplicates Z: 10 9.694 1.658 0.659 0.535 0.778 0.444 CB 1.460 10 residues pruned to eliminate duplicates Z: 18 30.209 2.145 0.659 0.821 1.000 0.765 CB 1.558 18 residues pruned to eliminate duplicates Z: 13 33.792 2.221 1.382 0.774 0.917 0.667 CB 1.579 13 residues pruned to eliminate duplicates Z: 15 23.234 2.061 0.771 0.830 0.857 0.643 CB 1.493 15 residues pruned to eliminate duplicates Z: 12 18.894 1.818 0.674 0.835 0.909 0.818 CA 1.542 12 residues pruned to eliminate duplicates Z: 14 32.777 2.102 1.023 0.885 1.000 0.846 CA 1.544 14 residues pruned to eliminate duplicates Z: 11 16.879 1.896 0.651 0.852 0.800 0.700 CB 1.576 11 residues pruned to eliminate duplicates Z: 16 26.144 2.239 0.515 0.826 1.000 0.800 CB 1.500 16 residues pruned to eliminate duplicates Z: 48 49.490 2.352 1.107 0.503 0.894 0.660 CB 1.626 48 residues pruned to eliminate duplicates Z: 34 37.401 2.301 1.078 0.503 0.848 0.606 CB 1.600 34 residues pruned to eliminate duplicates Z: 68 61.939 2.433 1.005 0.503 0.910 0.612 CB 1.699 68 residues pruned to eliminate duplicates Z: 6 10.695 2.057 0.457 0.702 1.000 1.000 CB 1.327 6 residues pruned to eliminate duplicates Z: 7 9.286 1.757 0.293 0.773 1.000 0.667 CA 1.311 7 residues pruned to eliminate duplicates Z: 15 17.972 2.116 0.220 0.833 0.857 0.714 CA 1.628 15 residues pruned to eliminate duplicates Z: 57 30.819 1.932 0.627 0.590 0.893 0.625 CB 1.346 60 residues pruned to eliminate duplicates Z: 10 14.083 1.766 0.503 0.885 1.000 0.889 CB 1.277 10 residues pruned to eliminate duplicates Z: 13 25.190 2.151 0.812 0.833 0.833 0.500 CA 1.679 13 residues pruned to eliminate duplicates Z: 13 22.909 2.229 0.982 0.556 1.000 0.750 CB 1.418 13 residues pruned to eliminate duplicates Z: 20 37.691 2.238 1.196 0.669 0.895 0.526 CB 1.682 20 residues pruned to eliminate duplicates Z: 32 24.162 2.086 1.012 0.351 0.839 0.613 CB 1.448 32 residues pruned to eliminate duplicates Z: 41 27.149 1.969 0.723 0.561 0.875 0.600 CB 1.363 41 residues pruned to eliminate duplicates Z: 16 20.308 2.073 0.550 0.918 1.000 0.867 CB 1.151 16 residues pruned to eliminate duplicates Z: 14 32.795 2.155 0.937 0.916 1.000 0.923 CB 1.538 14 residues pruned to eliminate duplicates Z: 27 23.980 1.987 0.924 0.418 0.962 0.654 CB 1.393 27 residues pruned to eliminate duplicates Z: 125 54.633 2.125 0.922 0.470 0.903 0.589 CB 1.370 125 residues pruned to eliminate duplicates Z: 10 13.202 1.762 0.496 0.894 1.000 0.889 CB 1.198 10 residues pruned to eliminate duplicates Z: 60 53.281 2.357 0.934 0.557 0.864 0.559 CB 1.666 121 residues pruned to eliminate duplicates Z: 10 18.747 1.934 0.730 0.906 0.889 0.889 CB 1.495 10 residues pruned to eliminate duplicates Z: 10 13.860 1.763 0.590 0.897 1.000 0.778 CB 1.180 Z: 16 33.445 2.202 1.086 0.861 0.933 0.667 CB 1.480 16 residues pruned to eliminate duplicates Z: 10 13.658 1.750 0.517 0.887 1.000 0.889 CB 1.236 10 residues pruned to eliminate duplicates Z: 11 11.578 1.805 0.337 0.789 0.900 0.800 CB 1.308 11 residues pruned to eliminate duplicates Z: 9 13.719 1.906 0.619 0.556 1.000 0.625 CB 1.488 9 residues pruned to eliminate duplicates Z: 15 32.412 2.241 0.840 0.921 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 6 16.574 2.206 0.708 0.841 1.000 0.600 CB 1.467 Z: 33 33.435 2.157 0.886 0.477 0.938 0.594 CB 1.587 33 residues pruned to eliminate duplicates Z: 15 21.121 2.113 0.398 0.833 0.857 0.786 CA 1.672 15 residues pruned to eliminate duplicates Z: 9 13.522 2.070 0.876 0.511 0.875 0.500 CB 1.391 9 residues pruned to eliminate duplicates Z: 12 7.772 1.677 0.403 0.466 0.818 0.455 CB 1.260 12 residues pruned to eliminate duplicates Z: 40 21.020 1.762 0.654 0.594 0.897 0.692 CB 1.177 37 residues pruned to eliminate duplicates Z: 9 8.118 1.738 0.566 0.418 1.000 0.500 CB 1.148 9 residues pruned to eliminate duplicates Z: 67 38.851 2.044 0.886 0.484 0.909 0.591 CB 1.387 25 residues pruned to eliminate duplicates Z: 7 7.565 1.740 1.005 0.538 0.833 0.667 CB 1.023 7 residues pruned to eliminate duplicates Z: 16 22.817 2.115 0.738 0.920 1.000 0.667 CB 1.129 19 residues pruned to eliminate duplicates Z: 9 20.525 2.087 0.722 0.830 0.875 0.375 CA 1.735 9 residues pruned to eliminate duplicates Z: 22 33.996 2.446 1.215 0.359 0.857 0.524 CB 1.859 22 residues pruned to eliminate duplicates Z: 9 11.847 1.738 0.849 0.557 0.875 0.625 CA 1.410 9 residues pruned to eliminate duplicates Z: 75 66.458 2.427 1.174 0.503 0.919 0.608 CB 1.588 75 residues pruned to eliminate duplicates Z: 47 57.856 2.426 1.202 0.538 0.891 0.565 CB 1.726 47 residues pruned to eliminate duplicates Z: 15 34.997 2.259 0.981 0.913 1.000 0.786 CB 1.479 15 residues pruned to eliminate duplicates Z: 15 32.659 2.228 1.236 0.900 0.929 0.714 CB 1.348 15 residues pruned to eliminate duplicates Z: 8 12.638 1.853 0.379 0.880 1.000 0.857 CB 1.354 Z: 8 7.912 1.864 0.720 0.564 1.000 0.571 N 0.877 Z: 12 24.042 2.146 0.571 0.846 0.909 0.818 CA 1.757 12 residues pruned to eliminate duplicates Z: 12 32.249 2.186 1.002 0.861 1.000 0.545 CB 1.633 18 residues pruned to eliminate duplicates Z: 10 13.793 1.841 0.423 0.839 1.000 0.778 CB 1.311 10 residues pruned to eliminate duplicates Z: 16 33.201 2.202 1.053 0.915 1.000 0.733 CB 1.340 16 residues pruned to eliminate duplicates Z: 7 5.831 1.829 0.080 0.786 0.833 0.667 CB 1.125 7 residues pruned to eliminate duplicates Z: 7 2.570 1.460 -0.167 0.523 1.000 0.833 CA 0.843 Z: 15 17.359 2.065 0.534 0.844 0.714 0.214 CB 1.526 15 residues pruned to eliminate duplicates Z: 11 16.622 2.103 1.109 0.475 0.900 0.600 CB 1.350 11 residues pruned to eliminate duplicates Z: 18 15.419 1.893 0.651 0.514 0.824 0.529 CB 1.434 18 residues pruned to eliminate duplicates Z: 10 20.502 2.017 0.613 0.887 1.000 0.778 CB 1.515 10 residues pruned to eliminate duplicates Z: 16 27.624 2.125 1.126 0.492 1.000 0.867 CB 1.592 16 residues pruned to eliminate duplicates Z: 7 15.439 2.180 0.813 0.675 1.000 0.833 CB 1.357 7 residues pruned to eliminate duplicates Z: 33 41.247 2.175 1.161 0.514 0.938 0.562 CB 1.631 33 residues pruned to eliminate duplicates Z: 55 30.978 1.922 0.689 0.579 0.889 0.704 CB 1.353 55 residues pruned to eliminate duplicates Z: 12 41.212 2.250 1.364 0.922 1.000 0.455 CB 1.642 12 residues pruned to eliminate duplicates Z: 17 19.551 2.049 0.491 0.868 1.000 0.750 CB 1.169 17 residues pruned to eliminate duplicates Z: 15 13.261 1.931 0.593 0.514 0.929 0.571 CB 1.223 15 residues pruned to eliminate duplicates Z: 46 34.308 2.221 0.848 0.471 0.867 0.622 CB 1.481 46 residues pruned to eliminate duplicates Z: 12 32.080 2.251 0.968 0.920 1.000 1.000 CB 1.537 12 residues pruned to eliminate duplicates Z: 77 55.267 2.206 1.040 0.483 0.921 0.579 CB 1.557 98 residues pruned to eliminate duplicates Z: 8 13.928 1.839 0.556 0.885 1.000 0.857 CB 1.329 Z: 11 14.439 1.896 0.502 0.767 0.800 0.700 CB 1.581 11 residues pruned to eliminate duplicates Z: 15 23.471 2.182 0.889 0.919 1.000 0.571 CB 1.073 16 residues pruned to eliminate duplicates Z: 6 9.653 1.793 0.529 0.832 1.000 0.600 N 1.182 6 residues pruned to eliminate duplicates Z: 14 8.046 1.714 0.310 0.595 0.923 0.692 CB 0.983 Z: 19 25.049 2.221 0.429 0.703 0.944 0.611 CB 1.637 19 residues pruned to eliminate duplicates Z: 20 24.761 2.090 0.538 0.708 0.947 0.526 CB 1.545 20 residues pruned to eliminate duplicates Z: 30 22.877 1.975 1.044 0.391 0.828 0.621 CB 1.428 15 residues pruned to eliminate duplicates Z: 21 28.586 2.065 0.761 0.819 1.000 0.750 CB 1.333 15 residues pruned to eliminate duplicates Z: 30 49.770 2.296 1.270 0.664 0.966 0.759 CB 1.577 30 residues pruned to eliminate duplicates Z: 10 12.979 1.760 0.454 0.895 1.000 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 19 12.538 1.687 0.505 0.485 0.944 0.611 CB 1.251 18 residues pruned to eliminate duplicates Z: 11 12.181 1.794 0.354 0.823 1.000 0.700 CB 1.199 11 residues pruned to eliminate duplicates Z: 17 19.617 2.148 0.718 0.589 0.938 0.562 CB 1.302 17 residues pruned to eliminate duplicates Z: 32 19.537 1.843 0.709 0.529 0.871 0.548 CB 1.242 32 residues pruned to eliminate duplicates Z: 7 11.760 1.918 0.781 0.858 0.833 0.667 CB 1.242 7 residues pruned to eliminate duplicates Z: 8 7.727 1.874 0.268 0.486 1.000 0.714 CB 1.247 8 residues pruned to eliminate duplicates Z: 7 10.504 1.953 0.304 0.625 1.000 0.167 CA 1.496 7 residues pruned to eliminate duplicates Z: 11 6.904 1.788 0.573 0.360 0.700 0.400 CB 1.290 11 residues pruned to eliminate duplicates Z: 19 27.429 2.207 1.165 0.521 0.944 0.722 CB 1.403 40 residues pruned to eliminate duplicates Z: 11 17.657 1.934 0.370 0.895 1.000 0.900 CA 1.511 11 residues pruned to eliminate duplicates Z: 10 16.282 1.768 0.765 0.895 1.000 0.889 CB 1.247 10 residues pruned to eliminate duplicates Z: 16 34.502 2.122 1.119 0.904 1.000 0.800 CB 1.411 16 residues pruned to eliminate duplicates Z: 11 13.336 1.712 0.431 0.902 0.900 0.800 CA 1.364 11 residues pruned to eliminate duplicates Z: 11 7.877 1.797 0.294 0.472 0.800 0.500 CB 1.377 11 residues pruned to eliminate duplicates Z: 13 21.049 2.191 0.310 0.880 1.000 1.000 CB 1.534 13 residues pruned to eliminate duplicates Z: 16 28.237 2.191 0.650 0.849 0.933 0.800 CB 1.603 16 residues pruned to eliminate duplicates Z: 38 49.156 2.373 1.307 0.457 0.919 0.649 CB 1.679 38 residues pruned to eliminate duplicates Z: 28 39.851 2.261 1.178 0.509 0.926 0.519 CB 1.667 28 residues pruned to eliminate duplicates Z: 6 5.166 1.369 0.733 0.665 0.800 0.800 CB 1.044 6 residues pruned to eliminate duplicates Z: 10 7.413 1.905 0.590 0.411 0.889 0.667 CB 1.007 10 residues pruned to eliminate duplicates Z: 87 50.476 2.153 1.007 0.460 0.884 0.547 CB 1.484 87 residues pruned to eliminate duplicates Z: 22 15.014 1.744 0.513 0.628 0.905 0.667 CB 1.217 22 residues pruned to eliminate duplicates Z: 12 13.822 1.642 0.556 0.846 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 28 29.905 2.197 1.030 0.593 0.889 0.481 CB 1.329 28 residues pruned to eliminate duplicates Z: 65 51.325 2.190 1.031 0.494 0.938 0.594 CB 1.548 65 residues pruned to eliminate duplicates Z: 39 24.812 1.842 0.947 0.380 0.921 0.526 CB 1.384 39 residues pruned to eliminate duplicates Z: 7 7.482 1.741 0.508 0.383 1.000 0.667 CA 1.317 7 residues pruned to eliminate duplicates Z: 7 10.292 1.875 0.549 0.806 0.833 0.667 CA 1.330 Z: 10 14.435 2.000 0.335 0.861 1.000 0.556 CB 1.324 10 residues pruned to eliminate duplicates Z: 12 5.770 1.672 0.653 0.366 0.818 0.545 CB 0.888 8 residues pruned to eliminate duplicates Z: 41 55.885 2.458 1.114 0.492 0.925 0.675 CB 1.853 41 residues pruned to eliminate duplicates Z: 10 7.234 1.868 0.398 0.494 0.778 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 12 13.509 1.738 0.367 0.845 1.000 0.727 CA 1.274 12 residues pruned to eliminate duplicates Z: 7 4.801 1.491 0.529 0.407 0.833 0.667 CB 1.137 6 residues pruned to eliminate duplicates Z: 7 10.503 1.830 0.796 0.844 0.833 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 6 9.961 2.155 0.383 0.796 1.000 0.400 CA 1.154 6 residues pruned to eliminate duplicates Z: 40 34.175 2.090 0.938 0.541 0.923 0.692 CB 1.406 40 residues pruned to eliminate duplicates Z: 27 41.044 2.329 1.190 0.620 0.923 0.654 CB 1.527 27 residues pruned to eliminate duplicates Z: 20 15.575 1.937 0.676 0.429 0.947 0.579 CB 1.251 20 residues pruned to eliminate duplicates Z: 12 30.567 2.258 1.061 0.914 1.000 0.909 CB 1.401 12 residues pruned to eliminate duplicates Z: 8 17.136 2.110 0.586 0.720 1.000 0.714 CA 1.587 8 residues pruned to eliminate duplicates Z: 73 45.179 2.205 0.966 0.480 0.875 0.625 CB 1.433 73 residues pruned to eliminate duplicates Z: 16 23.839 2.322 0.734 0.799 0.867 0.800 CB 1.357 3 residues pruned to eliminate duplicates Z: 38 30.089 2.152 0.727 0.560 0.946 0.703 CB 1.328 58 residues pruned to eliminate duplicates Z: 6 9.338 2.079 0.719 0.664 1.000 0.600 CB 1.004 Z: 13 12.093 2.101 0.878 0.419 0.667 0.500 CB 1.443 13 residues pruned to eliminate duplicates Z: 15 23.877 2.182 0.287 0.863 1.000 0.857 CA 1.667 15 residues pruned to eliminate duplicates Z: 15 21.432 2.150 0.678 0.923 1.000 0.857 CB 1.116 Z: 57 30.024 1.863 0.691 0.579 0.911 0.643 CB 1.297 57 residues pruned to eliminate duplicates Z: 14 16.956 1.914 0.733 0.875 0.923 0.615 CA 1.117 14 residues pruned to eliminate duplicates Z: 52 26.030 1.967 0.717 0.467 0.902 0.490 CB 1.238 52 residues pruned to eliminate duplicates Z: 10 8.596 1.788 0.614 0.472 0.889 0.667 CB 1.149 10 residues pruned to eliminate duplicates Z: 7 9.505 1.880 0.550 0.832 0.833 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 6 3.659 1.539 0.498 0.464 0.600 0.400 C 1.227 Z: 43 36.057 2.061 1.136 0.475 0.857 0.619 CB 1.513 43 residues pruned to eliminate duplicates Z: 7 6.631 1.671 0.506 0.693 0.833 0.667 CB 1.082 7 residues pruned to eliminate duplicates Z: 6 14.003 1.984 1.500 0.724 1.000 0.600 CB 1.032 Z: 41 30.457 2.117 0.666 0.545 0.975 0.700 CB 1.340 62 residues pruned to eliminate duplicates Z: 8 2.690 1.411 0.330 0.344 0.714 0.571 CB 0.899 Z: 11 13.449 1.683 0.630 0.857 0.900 0.700 CB 1.270 10 residues pruned to eliminate duplicates Z: 12 10.642 1.689 0.581 0.740 0.909 0.545 CB 1.066 12 residues pruned to eliminate duplicates Z: 6 7.167 1.535 0.256 0.802 1.000 0.800 CB 1.276 6 residues pruned to eliminate duplicates Z: 8 10.881 1.784 0.311 0.844 1.000 0.857 CB 1.309 8 residues pruned to eliminate duplicates Z: 14 33.423 2.241 0.707 0.841 1.000 0.769 CA 1.807 14 residues pruned to eliminate duplicates Z: 31 37.577 2.190 1.163 0.429 0.967 0.633 CB 1.613 31 residues pruned to eliminate duplicates Z: 18 21.452 1.882 0.611 0.706 1.000 0.824 CB 1.424 11 residues pruned to eliminate duplicates Z: 24 16.227 1.936 0.677 0.452 0.870 0.609 CB 1.260 36 residues pruned to eliminate duplicates Z: 35 29.389 2.142 0.882 0.452 0.853 0.559 CB 1.540 35 residues pruned to eliminate duplicates Z: 29 14.446 2.045 0.483 0.301 0.821 0.393 CB 1.368 29 residues pruned to eliminate duplicates Z: 13 11.853 2.031 0.603 0.231 0.917 0.750 CB 1.568 13 residues pruned to eliminate duplicates Z: 17 34.027 2.240 0.995 0.694 0.938 0.750 CB 1.699 17 residues pruned to eliminate duplicates Z: 16 37.358 2.125 1.272 0.690 1.000 0.800 CB 1.679 16 residues pruned to eliminate duplicates Z: 22 10.884 1.809 0.487 0.447 0.762 0.476 CB 1.223 22 residues pruned to eliminate duplicates Z: 9 12.442 1.732 0.515 0.896 1.000 0.875 CB 1.201 9 residues pruned to eliminate duplicates Z: 7 9.124 1.720 1.059 0.500 1.000 1.000 CB 1.052 Z: 11 12.687 1.805 0.407 0.791 1.000 0.700 CB 1.223 11 residues pruned to eliminate duplicates Z: 9 15.463 1.835 0.581 0.828 1.000 0.375 CB 1.419 9 residues pruned to eliminate duplicates Z: 33 39.762 2.187 1.148 0.458 1.000 0.719 CB 1.562 33 residues pruned to eliminate duplicates Z: 61 58.918 2.397 1.217 0.509 0.883 0.583 CB 1.606 61 residues pruned to eliminate duplicates Z: 60 41.524 2.218 1.012 0.462 0.881 0.610 CB 1.430 68 residues pruned to eliminate duplicates 7 1.711 1.688 0.515 0.321 0.833 0.667 CB 0.399 ? Z: 12 13.854 1.692 0.721 0.606 0.909 0.818 CB 1.426 12 residues pruned to eliminate duplicates Z: 11 12.833 1.729 0.325 0.845 1.000 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 15 33.168 2.247 1.018 0.922 1.000 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 9 14.388 1.869 1.154 0.881 0.875 0.750 CB 1.046 9 residues pruned to eliminate duplicates Z: 23 41.072 2.347 1.300 0.439 0.955 0.500 CB 1.808 23 residues pruned to eliminate duplicates Z: 57 51.581 2.426 0.943 0.511 0.875 0.554 CB 1.652 58 residues pruned to eliminate duplicates Z: 10 13.289 1.754 0.565 0.905 1.000 0.778 CB 1.148 10 residues pruned to eliminate duplicates Z: 34 24.529 2.173 0.719 0.538 0.758 0.515 CB 1.453 34 residues pruned to eliminate duplicates Z: 42 32.331 2.035 0.927 0.507 0.902 0.585 CB 1.417 42 residues pruned to eliminate duplicates Z: 14 31.281 2.157 1.139 0.860 0.923 0.692 CB 1.498 14 residues pruned to eliminate duplicates Z: 7 9.181 2.015 0.300 0.470 1.000 0.833 CB 1.475 6 residues pruned to eliminate duplicates Z: 29 35.360 2.253 1.021 0.567 0.929 0.607 CB 1.482 29 residues pruned to eliminate duplicates 6 1.731 0.996 0.527 0.748 0.800 0.800 CB 0.510 ? Z: 113 62.240 2.184 1.062 0.507 0.884 0.607 CB 1.467 113 residues pruned to eliminate duplicates Z: 16 13.186 2.003 0.711 0.382 0.733 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 40 38.918 2.163 0.973 0.591 0.949 0.667 CB 1.410 37 residues pruned to eliminate duplicates Z: 32 25.235 1.809 0.668 0.656 0.935 0.774 CB 1.388 50 residues pruned to eliminate duplicates Z: 8 3.285 1.404 0.307 0.349 0.714 0.286 O 1.116 Z: 32 31.926 2.260 0.826 0.499 0.903 0.581 CB 1.540 26 residues pruned to eliminate duplicates Z: 51 36.817 2.226 0.933 0.459 0.880 0.620 CB 1.434 59 residues pruned to eliminate duplicates Z: 7 6.363 1.713 0.706 0.787 0.833 0.500 CB 0.828 Z: 31 26.134 2.034 0.847 0.496 0.867 0.700 CB 1.472 31 residues pruned to eliminate duplicates Z: 11 6.082 1.707 0.846 0.311 0.800 0.600 CB 0.940 Z: 28 28.379 2.177 1.079 0.472 0.926 0.630 CB 1.341 31 residues pruned to eliminate duplicates Z: 90 54.577 2.177 0.985 0.456 0.933 0.573 CB 1.501 97 residues pruned to eliminate duplicates Z: 7 11.240 1.881 0.592 0.686 1.000 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 22 12.277 1.952 0.434 0.456 0.762 0.619 CB 1.314 22 residues pruned to eliminate duplicates Z: 85 66.308 2.356 1.039 0.507 0.893 0.643 CB 1.674 85 residues pruned to eliminate duplicates Z: 7 10.786 1.877 0.699 0.874 0.833 0.833 CB 1.206 Z: 9 4.523 1.606 0.663 0.453 0.750 0.625 CB 0.838 9 residues pruned to eliminate duplicates Z: 14 37.797 2.221 0.972 0.923 1.000 0.846 CA 1.682 14 residues pruned to eliminate duplicates Z: 6 3.018 1.494 0.472 0.300 0.800 0.600 CB 0.959 6 residues pruned to eliminate duplicates Z: 22 38.599 2.453 1.097 0.518 0.952 0.667 CB 1.689 22 residues pruned to eliminate duplicates Z: 70 64.399 2.408 1.052 0.496 0.913 0.594 CB 1.726 70 residues pruned to eliminate duplicates Z: 6 2.431 1.920 -0.052 0.298 0.800 0.400 CB 0.935 6 residues pruned to eliminate duplicates Z: 10 16.549 2.059 0.448 0.894 0.889 0.667 CB 1.493 10 residues pruned to eliminate duplicates Z: 15 26.342 2.238 0.808 0.849 0.929 0.429 CB 1.388 15 residues pruned to eliminate duplicates Z: 11 8.339 1.475 0.388 0.813 1.000 0.700 CB 0.981 11 residues pruned to eliminate duplicates Z: 96 68.370 2.322 1.086 0.447 0.947 0.621 CB 1.614 96 residues pruned to eliminate duplicates Z: 10 19.295 2.053 0.508 0.903 1.000 0.667 CB 1.481 10 residues pruned to eliminate duplicates Z: 19 16.787 1.884 0.627 0.676 0.778 0.500 CA 1.411 19 residues pruned to eliminate duplicates Z: 6 6.096 1.702 0.120 0.787 1.000 1.000 CB 1.111 6 residues pruned to eliminate duplicates Z: 16 25.607 1.954 0.720 0.857 1.000 0.667 CB 1.449 16 residues pruned to eliminate duplicates Z: 9 7.234 1.408 0.343 0.722 1.000 0.625 O 1.106 9 residues pruned to eliminate duplicates Z: 42 41.837 2.243 1.161 0.514 0.902 0.659 CB 1.473 42 residues pruned to eliminate duplicates Z: 7 3.031 1.675 -0.087 0.399 0.833 0.667 CB 1.080 Z: 28 42.224 2.367 1.242 0.561 0.889 0.593 CB 1.624 28 residues pruned to eliminate duplicates Z: 13 18.324 1.786 0.906 0.669 1.000 0.667 CB 1.330 13 residues pruned to eliminate duplicates Z: 10 5.592 1.534 0.113 0.849 0.778 0.667 CB 1.040 9 residues pruned to eliminate duplicates Z: 11 6.874 1.686 0.311 0.495 0.800 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 6 14.989 1.843 1.234 0.826 1.000 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 38 35.419 2.063 0.994 0.462 0.946 0.595 CB 1.555 38 residues pruned to eliminate duplicates Z: 23 33.900 2.247 1.356 0.441 0.909 0.545 CB 1.596 23 residues pruned to eliminate duplicates Z: 24 13.715 1.769 0.575 0.431 0.870 0.652 CB 1.268 23 residues pruned to eliminate duplicates Z: 16 21.132 2.042 1.091 0.455 0.867 0.533 CB 1.544 16 residues pruned to eliminate duplicates Z: 6 12.707 2.005 0.449 0.711 1.000 0.400 CB 1.614 6 residues pruned to eliminate duplicates Z: 13 9.018 1.430 0.609 0.865 0.833 0.583 CB 0.995 14 residues pruned to eliminate duplicates Z: 49 28.491 1.897 0.641 0.553 0.875 0.583 CB 1.434 49 residues pruned to eliminate duplicates Z: 7 5.900 1.695 0.462 0.689 0.667 0.500 CB 1.227 7 residues pruned to eliminate duplicates Z: 14 7.359 1.647 0.464 0.460 0.923 0.769 CB 0.954 14 residues pruned to eliminate duplicates Z: 11 18.145 2.160 0.643 0.874 0.900 0.700 CB 1.307 11 residues pruned to eliminate duplicates Z: 9 10.414 1.581 0.251 0.843 1.000 1.000 CB 1.386 9 residues pruned to eliminate duplicates Z: 13 17.653 2.002 0.827 0.389 0.917 0.583 CB 1.709 13 residues pruned to eliminate duplicates Z: 12 11.491 1.659 0.581 0.794 1.000 0.636 CB 1.021 12 residues pruned to eliminate duplicates 6 1.471 1.238 0.456 0.548 0.800 0.600 CB 0.435 ? Z: 33 37.599 2.170 1.256 0.429 0.906 0.594 CB 1.614 33 residues pruned to eliminate duplicates Z: 10 11.667 1.732 0.281 0.876 1.000 0.778 CB 1.273 10 residues pruned to eliminate duplicates Z: 37 33.549 2.180 0.756 0.616 0.944 0.722 CB 1.386 36 residues pruned to eliminate duplicates Z: 16 24.245 2.024 0.726 0.842 0.933 0.600 CB 1.431 16 residues pruned to eliminate duplicates Z: 7 4.525 1.740 0.822 0.567 1.000 1.000 CB 0.546 Z: 14 11.336 1.801 0.768 0.645 0.846 0.615 CB 1.019 14 residues pruned to eliminate duplicates Z: 6 4.535 1.376 0.410 0.772 1.000 0.400 CB 0.821 6 residues pruned to eliminate duplicates Z: 31 19.362 1.803 0.632 0.568 0.867 0.667 CB 1.298 31 residues pruned to eliminate duplicates 382 residues left after pruning, divided into chains as follows: A: 43 B: 15 C: 159 D: 7 E: 28 F: 14 G: 116 CC for partial structure against native data = 37.73 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.556, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.643, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.767, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.779, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.792, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.796, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.802, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.803, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.806, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.806, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2020 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 502 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 34.747 2.341 1.021 0.905 1.000 0.857 CB 1.976 B: 9 31.048 2.447 0.667 0.891 1.000 0.875 CB 1.935 C: 18 24.387 2.136 0.614 0.740 0.882 0.647 CB 1.568 9 residues pruned to eliminate duplicates D: 18 27.335 2.087 0.599 0.855 0.824 0.588 CB 1.781 19 residues pruned to eliminate duplicates E: 7 32.790 2.588 0.785 0.892 1.000 0.833 CB 2.081 7 residues pruned to eliminate duplicates F: 16 36.124 2.111 0.979 0.933 1.000 0.867 CB 1.558 G: 104 69.295 2.383 0.918 0.474 0.922 0.563 CB 1.663 25 residues pruned to eliminate duplicates H: 15 34.915 2.383 0.582 0.871 1.000 0.786 CB 1.805 15 residues pruned to eliminate duplicates I: 16 29.592 2.161 0.735 0.818 0.933 0.667 CB 1.656 16 residues pruned to eliminate duplicates J: 39 41.286 2.306 1.108 0.571 0.895 0.474 CB 1.439 37 residues pruned to eliminate duplicates K: 17 35.378 2.517 0.810 0.824 0.938 0.562 CB 1.564 L: 13 24.715 2.169 0.690 0.818 0.833 0.750 CA 1.771 M: 13 38.879 2.399 0.877 0.831 1.000 0.750 CA 1.872 15 residues pruned to eliminate duplicates N: 14 41.402 2.252 1.135 0.893 0.923 0.615 CB 1.857 15 residues pruned to eliminate duplicates O: 13 40.672 2.474 0.769 0.911 1.000 0.833 CB 1.901 13 residues pruned to eliminate duplicates P: 14 35.355 2.270 0.766 0.890 1.000 0.923 CB 1.759 14 residues pruned to eliminate duplicates Q: 14 37.503 2.343 0.782 0.896 1.000 0.769 CB 1.785 R: 19 27.752 2.104 0.754 0.856 0.889 0.611 CB 1.470 S: 13 17.206 1.943 0.299 0.796 1.000 0.833 CA 1.518 13 residues pruned to eliminate duplicates T: 13 32.175 2.393 0.771 0.903 1.000 0.750 CB 1.562 13 residues pruned to eliminate duplicates U: 16 33.627 2.348 1.024 0.865 0.933 0.400 CB 1.434 16 residues pruned to eliminate duplicates V: 28 61.467 2.579 1.181 0.700 1.000 0.704 CB 1.752 17 residues pruned to eliminate duplicates W: 16 30.300 2.300 0.664 0.831 0.800 0.800 CA 1.919 16 residues pruned to eliminate duplicates X: 15 33.458 2.149 0.790 0.920 1.000 0.929 CB 1.637 15 residues pruned to eliminate duplicates Y: 15 32.331 2.229 0.914 0.876 0.929 0.714 CB 1.585 15 residues pruned to eliminate duplicates Z: 35 30.653 2.116 0.959 0.579 0.912 0.559 CB 1.289 Z: 13 43.845 2.412 1.007 0.900 1.000 0.833 CB 1.867 13 residues pruned to eliminate duplicates Z: 18 25.593 2.092 0.426 0.805 1.000 0.765 CB 1.595 Z: 7 5.494 1.846 0.215 0.724 1.000 0.667 CA 0.817 7 residues pruned to eliminate duplicates Z: 19 25.798 2.137 0.640 0.794 0.944 0.500 CB 1.420 19 residues pruned to eliminate duplicates Z: 15 38.976 2.220 1.223 0.871 0.857 0.643 CB 1.796 15 residues pruned to eliminate duplicates Z: 19 28.033 2.381 0.657 0.802 0.833 0.722 CB 1.543 19 residues pruned to eliminate duplicates Z: 8 25.520 2.433 0.548 0.886 1.000 0.857 CA 1.848 8 residues pruned to eliminate duplicates Z: 9 20.349 2.240 0.465 0.830 1.000 0.875 CB 1.648 9 residues pruned to eliminate duplicates Z: 72 60.697 2.460 1.020 0.493 0.859 0.662 CB 1.699 73 residues pruned to eliminate duplicates Z: 12 31.308 2.372 0.735 0.837 0.909 0.818 CB 1.886 12 residues pruned to eliminate duplicates Z: 6 10.875 2.242 0.298 0.725 1.000 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 26 48.060 2.572 1.190 0.689 0.880 0.560 CB 1.631 26 residues pruned to eliminate duplicates Z: 12 31.113 2.318 0.779 0.911 1.000 1.000 CB 1.612 12 residues pruned to eliminate duplicates Z: 15 29.393 2.153 0.886 0.850 0.929 0.714 CB 1.542 15 residues pruned to eliminate duplicates Z: 51 54.018 2.488 0.919 0.468 0.920 0.560 CB 1.798 51 residues pruned to eliminate duplicates Z: 16 28.255 2.179 0.665 0.871 0.933 0.667 CB 1.571 16 residues pruned to eliminate duplicates Z: 14 21.247 2.234 0.435 0.865 0.846 0.769 CB 1.591 14 residues pruned to eliminate duplicates Z: 16 30.017 2.270 0.639 0.859 0.933 0.733 CB 1.642 16 residues pruned to eliminate duplicates Z: 17 26.537 2.199 0.515 0.821 1.000 0.750 CB 1.508 17 residues pruned to eliminate duplicates Z: 18 20.204 1.982 0.347 0.847 0.882 0.765 CB 1.544 18 residues pruned to eliminate duplicates Z: 38 22.408 1.904 0.773 0.484 0.838 0.486 CB 1.324 Z: 13 40.693 2.394 0.950 0.941 1.000 0.917 CB 1.746 13 residues pruned to eliminate duplicates Z: 15 29.516 2.182 0.821 0.829 0.857 0.714 CA 1.744 15 residues pruned to eliminate duplicates Z: 44 63.828 2.580 1.172 0.497 0.930 0.628 CB 1.874 44 residues pruned to eliminate duplicates Z: 19 27.210 2.186 0.348 0.819 1.000 0.833 CB 1.649 18 residues pruned to eliminate duplicates Z: 19 21.774 2.231 0.971 0.394 0.889 0.556 CB 1.469 19 residues pruned to eliminate duplicates Z: 14 30.919 2.253 0.974 0.855 0.923 0.538 CB 1.542 14 residues pruned to eliminate duplicates Z: 53 26.183 1.971 0.693 0.397 0.865 0.500 CB 1.402 22 residues pruned to eliminate duplicates Z: 19 33.850 2.130 0.948 0.757 0.889 0.667 CB 1.721 19 residues pruned to eliminate duplicates Z: 27 55.363 2.479 1.374 0.711 0.923 0.654 CB 1.650 27 residues pruned to eliminate duplicates Z: 91 67.997 2.460 0.949 0.463 0.889 0.633 CB 1.746 82 residues pruned to eliminate duplicates Z: 30 45.444 2.456 0.987 0.630 0.931 0.552 CB 1.643 30 residues pruned to eliminate duplicates Z: 14 31.042 2.267 0.518 0.937 1.000 0.923 CB 1.741 14 residues pruned to eliminate duplicates Z: 30 33.060 2.287 0.890 0.558 0.862 0.586 CB 1.558 30 residues pruned to eliminate duplicates Z: 6 13.369 2.219 0.602 0.687 0.800 0.600 CB 1.772 6 residues pruned to eliminate duplicates Z: 15 21.517 2.205 0.301 0.801 0.929 0.643 CB 1.659 15 residues pruned to eliminate duplicates Z: 18 23.367 2.018 0.414 0.788 0.941 0.706 CB 1.639 18 residues pruned to eliminate duplicates Z: 19 36.769 2.475 0.719 0.821 0.944 0.667 CB 1.633 19 residues pruned to eliminate duplicates Z: 6 5.488 1.912 0.270 0.742 0.800 0.600 CA 1.018 Z: 50 29.946 2.042 0.667 0.544 0.939 0.714 CB 1.282 35 residues pruned to eliminate duplicates Z: 72 67.049 2.523 1.010 0.496 0.915 0.662 CB 1.720 72 residues pruned to eliminate duplicates Z: 14 39.738 2.346 0.951 0.895 1.000 0.769 CA 1.726 14 residues pruned to eliminate duplicates Z: 71 69.664 2.486 1.004 0.492 0.943 0.543 CB 1.787 71 residues pruned to eliminate duplicates Z: 17 24.279 2.203 0.514 0.797 0.938 0.688 CB 1.497 17 residues pruned to eliminate duplicates Z: 14 24.101 2.300 0.307 0.867 0.923 0.538 CB 1.761 14 residues pruned to eliminate duplicates Z: 12 50.659 2.445 1.387 0.899 1.000 0.727 CB 1.871 14 residues pruned to eliminate duplicates Z: 27 15.525 1.952 0.714 0.293 0.846 0.423 CB 1.357 27 residues pruned to eliminate duplicates Z: 15 18.616 2.179 0.585 0.699 1.000 0.643 CB 1.201 15 residues pruned to eliminate duplicates Z: 21 27.324 2.214 0.944 0.479 0.900 0.650 CB 1.612 20 residues pruned to eliminate duplicates Z: 13 33.316 2.329 1.037 0.927 0.917 0.833 CB 1.550 13 residues pruned to eliminate duplicates Z: 10 22.598 2.197 0.636 0.868 0.889 0.667 CB 1.724 10 residues pruned to eliminate duplicates Z: 49 31.269 2.035 0.726 0.572 0.917 0.646 CB 1.307 51 residues pruned to eliminate duplicates Z: 14 40.289 2.210 1.161 0.905 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 15 28.286 2.188 0.934 0.848 0.929 0.857 CB 1.428 15 residues pruned to eliminate duplicates Z: 13 29.829 2.283 0.782 0.887 0.917 0.750 CA 1.665 13 residues pruned to eliminate duplicates Z: 44 57.467 2.570 1.079 0.488 0.884 0.628 CB 1.879 44 residues pruned to eliminate duplicates Z: 50 55.123 2.535 0.933 0.491 0.939 0.612 CB 1.727 50 residues pruned to eliminate duplicates Z: 18 36.582 2.175 0.716 0.837 1.000 0.588 CB 1.777 19 residues pruned to eliminate duplicates Z: 12 22.928 1.921 0.666 0.844 0.909 0.636 C 1.768 12 residues pruned to eliminate duplicates Z: 56 38.006 2.064 0.714 0.593 0.891 0.636 CB 1.488 54 residues pruned to eliminate duplicates Z: 13 41.450 2.274 1.084 0.915 1.000 0.833 CB 1.784 13 residues pruned to eliminate duplicates Z: 12 16.670 1.822 0.697 0.811 0.818 0.818 N 1.516 12 residues pruned to eliminate duplicates Z: 18 28.819 2.240 0.647 0.813 0.941 0.706 CB 1.533 18 residues pruned to eliminate duplicates Z: 11 18.645 2.088 0.538 0.868 0.800 0.500 CB 1.678 11 residues pruned to eliminate duplicates Z: 13 10.613 2.020 0.701 0.400 0.833 0.500 CB 1.189 Z: 12 28.854 2.396 0.666 0.809 0.909 0.727 CB 1.831 12 residues pruned to eliminate duplicates Z: 90 65.903 2.452 0.857 0.456 0.921 0.618 CB 1.741 90 residues pruned to eliminate duplicates Z: 16 29.317 2.323 0.465 0.802 1.000 0.733 CB 1.708 16 residues pruned to eliminate duplicates Z: 11 14.794 2.037 0.415 0.814 0.800 0.600 CB 1.544 11 residues pruned to eliminate duplicates Z: 15 28.459 2.262 0.458 0.826 1.000 0.714 CB 1.739 15 residues pruned to eliminate duplicates Z: 64 55.674 2.436 0.886 0.532 0.873 0.556 CB 1.695 123 residues pruned to eliminate duplicates Z: 15 31.063 2.120 0.726 0.835 1.000 0.643 CB 1.700 15 residues pruned to eliminate duplicates Z: 12 41.090 2.298 1.274 0.898 0.909 0.909 CA 1.866 12 residues pruned to eliminate duplicates Z: 11 33.845 2.477 0.666 0.909 1.000 0.900 CB 1.841 11 residues pruned to eliminate duplicates Z: 17 21.728 1.898 0.703 0.820 0.875 0.750 CA 1.455 13 residues pruned to eliminate duplicates Z: 16 24.645 2.127 0.365 0.814 1.000 0.667 CA 1.668 16 residues pruned to eliminate duplicates Z: 16 25.928 2.105 0.604 0.799 0.867 0.533 CB 1.761 16 residues pruned to eliminate duplicates Z: 8 9.500 2.029 0.954 0.584 0.714 0.714 CB 1.169 7 residues pruned to eliminate duplicates Z: 11 17.051 2.042 0.475 0.800 0.800 0.500 CB 1.722 Z: 15 27.752 2.056 0.889 0.874 0.857 0.714 CB 1.621 15 residues pruned to eliminate duplicates Z: 61 59.934 2.468 0.965 0.547 0.900 0.617 CB 1.694 61 residues pruned to eliminate duplicates Z: 16 24.244 1.994 0.638 0.830 0.933 0.800 CA 1.544 17 residues pruned to eliminate duplicates Z: 16 28.508 2.185 0.635 0.845 1.000 0.800 CB 1.532 Z: 30 34.429 2.345 0.859 0.535 0.897 0.414 CB 1.580 15 residues pruned to eliminate duplicates Z: 33 28.306 2.168 0.830 0.489 0.875 0.375 CB 1.457 33 residues pruned to eliminate duplicates Z: 17 30.737 2.204 1.078 0.770 0.875 0.688 CB 1.510 14 residues pruned to eliminate duplicates Z: 15 24.799 2.142 0.736 0.746 0.929 0.857 CB 1.540 15 residues pruned to eliminate duplicates Z: 36 16.822 1.808 0.536 0.511 0.857 0.600 CB 1.181 14 residues pruned to eliminate duplicates Z: 27 28.609 2.330 0.655 0.635 0.808 0.538 CB 1.588 16 residues pruned to eliminate duplicates Z: 46 39.606 2.265 0.849 0.498 0.956 0.578 CB 1.479 22 residues pruned to eliminate duplicates Z: 26 52.194 2.564 1.116 0.658 0.960 0.520 CB 1.731 26 residues pruned to eliminate duplicates Z: 18 21.529 2.009 0.843 0.737 0.824 0.588 CB 1.385 18 residues pruned to eliminate duplicates Z: 16 18.910 2.071 0.578 0.855 0.867 0.533 CB 1.272 16 residues pruned to eliminate duplicates Z: 7 15.691 2.257 0.956 0.689 0.833 0.667 CB 1.465 8 residues pruned to eliminate duplicates Z: 86 71.103 2.432 0.934 0.503 0.953 0.541 CB 1.716 86 residues pruned to eliminate duplicates Z: 16 23.571 2.159 0.408 0.830 0.867 0.733 CB 1.737 16 residues pruned to eliminate duplicates Z: 28 31.906 2.425 0.851 0.498 0.852 0.630 CB 1.608 28 residues pruned to eliminate duplicates Z: 18 23.112 2.122 0.490 0.806 0.941 0.647 CB 1.442 18 residues pruned to eliminate duplicates Z: 16 31.481 2.225 0.784 0.845 0.933 0.733 CB 1.631 16 residues pruned to eliminate duplicates Z: 45 55.840 2.522 0.999 0.478 0.909 0.545 CB 1.879 45 residues pruned to eliminate duplicates Z: 19 27.474 1.986 0.817 0.773 0.944 0.778 CB 1.492 19 residues pruned to eliminate duplicates Z: 9 12.632 2.251 0.731 0.518 0.750 0.625 CB 1.502 9 residues pruned to eliminate duplicates Z: 12 37.965 2.472 1.446 0.614 0.909 0.818 CB 1.870 12 residues pruned to eliminate duplicates Z: 16 31.226 2.242 0.735 0.846 0.933 0.733 CB 1.650 16 residues pruned to eliminate duplicates Z: 70 61.366 2.341 0.922 0.528 0.971 0.652 CB 1.645 92 residues pruned to eliminate duplicates Z: 17 25.389 2.074 0.736 0.735 0.875 0.750 CA 1.631 17 residues pruned to eliminate duplicates Z: 16 25.561 2.124 0.630 0.787 0.867 0.533 CB 1.709 16 residues pruned to eliminate duplicates Z: 30 29.897 2.330 0.803 0.517 0.828 0.517 CB 1.571 30 residues pruned to eliminate duplicates Z: 7 8.265 1.917 0.329 0.818 0.833 0.500 CB 1.206 7 residues pruned to eliminate duplicates Z: 114 64.741 2.279 0.850 0.487 0.929 0.602 CB 1.574 98 residues pruned to eliminate duplicates Z: 6 9.524 1.785 0.357 0.847 1.000 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 18 24.174 2.157 0.302 0.797 0.941 0.706 CB 1.710 18 residues pruned to eliminate duplicates Z: 14 27.284 2.258 0.356 0.834 1.000 0.615 CB 1.853 14 residues pruned to eliminate duplicates Z: 14 28.255 2.354 0.711 0.841 0.923 0.615 CB 1.572 14 residues pruned to eliminate duplicates Z: 93 62.236 2.338 0.875 0.531 0.902 0.554 CB 1.592 93 residues pruned to eliminate duplicates Z: 25 16.258 1.860 0.637 0.506 0.875 0.583 CB 1.238 25 residues pruned to eliminate duplicates Z: 47 26.171 1.966 0.544 0.545 0.891 0.565 CB 1.365 45 residues pruned to eliminate duplicates Z: 76 48.729 2.297 0.854 0.497 0.880 0.680 CB 1.506 76 residues pruned to eliminate duplicates Z: 29 33.145 2.375 0.743 0.607 0.857 0.643 CB 1.595 29 residues pruned to eliminate duplicates Z: 40 44.495 2.354 0.977 0.535 0.923 0.590 CB 1.602 38 residues pruned to eliminate duplicates Z: 115 75.723 2.437 0.905 0.483 0.930 0.544 CB 1.670 115 residues pruned to eliminate duplicates Z: 6 7.306 2.242 -0.075 0.719 0.800 0.600 CB 1.614 6 residues pruned to eliminate duplicates Z: 20 11.884 1.972 0.844 0.195 0.842 0.737 CB 1.282 20 residues pruned to eliminate duplicates Z: 16 21.254 1.919 0.735 0.861 0.933 0.533 CB 1.298 16 residues pruned to eliminate duplicates Z: 48 48.589 2.461 0.960 0.438 0.894 0.447 CB 1.753 48 residues pruned to eliminate duplicates Z: 6 13.225 2.114 0.303 0.806 1.000 0.800 CB 1.644 6 residues pruned to eliminate duplicates Z: 15 35.909 2.349 0.962 0.919 0.929 0.500 CB 1.580 15 residues pruned to eliminate duplicates Z: 51 56.301 2.494 1.124 0.489 0.900 0.520 CB 1.688 51 residues pruned to eliminate duplicates Z: 62 66.928 2.483 0.990 0.529 0.934 0.623 CB 1.803 62 residues pruned to eliminate duplicates Z: 48 28.070 1.984 0.585 0.547 0.872 0.574 CB 1.426 48 residues pruned to eliminate duplicates Z: 12 10.154 1.683 0.619 0.472 1.000 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 66 59.831 2.461 1.007 0.529 0.908 0.585 CB 1.608 66 residues pruned to eliminate duplicates Z: 16 25.243 2.164 0.582 0.857 0.867 0.533 CB 1.619 16 residues pruned to eliminate duplicates Z: 6 10.497 2.094 0.457 0.711 1.000 1.000 CA 1.270 6 residues pruned to eliminate duplicates Z: 16 29.719 2.264 0.597 0.789 1.000 0.667 CB 1.647 16 residues pruned to eliminate duplicates Z: 15 35.201 2.253 0.946 0.871 1.000 0.786 CB 1.565 15 residues pruned to eliminate duplicates Z: 6 6.528 1.908 0.252 0.472 0.800 0.800 CB 1.571 6 residues pruned to eliminate duplicates Z: 21 16.722 1.932 0.489 0.606 0.800 0.600 CB 1.469 17 residues pruned to eliminate duplicates Z: 16 27.729 2.170 0.704 0.781 0.933 0.733 CB 1.619 16 residues pruned to eliminate duplicates Z: 12 20.940 1.915 0.755 0.823 0.818 0.545 CA 1.736 13 residues pruned to eliminate duplicates Z: 46 36.325 2.145 0.791 0.487 0.956 0.622 CB 1.494 46 residues pruned to eliminate duplicates Z: 6 6.540 1.928 0.240 0.464 0.800 0.600 C 1.586 Z: 31 22.482 1.961 0.848 0.384 0.900 0.567 CB 1.423 31 residues pruned to eliminate duplicates Z: 12 34.092 2.338 0.922 0.886 0.909 0.909 CB 1.815 12 residues pruned to eliminate duplicates Z: 30 29.832 1.881 0.732 0.681 1.000 0.724 CB 1.440 29 residues pruned to eliminate duplicates Z: 15 31.485 2.261 0.984 0.932 0.929 0.214 CB 1.410 15 residues pruned to eliminate duplicates Z: 36 46.461 2.491 0.919 0.460 0.943 0.543 CB 1.816 36 residues pruned to eliminate duplicates Z: 9 7.892 1.832 0.694 0.324 0.875 0.625 CB 1.246 9 residues pruned to eliminate duplicates Z: 11 12.401 1.789 0.292 0.777 1.000 0.700 CB 1.328 11 residues pruned to eliminate duplicates Z: 24 19.947 2.111 0.846 0.418 0.870 0.652 CB 1.336 24 residues pruned to eliminate duplicates Z: 14 34.707 2.265 1.042 0.729 1.000 0.615 CB 1.692 14 residues pruned to eliminate duplicates Z: 12 13.574 1.708 0.285 0.824 1.000 0.818 CB 1.408 12 residues pruned to eliminate duplicates Z: 21 29.733 2.315 0.908 0.707 0.850 0.600 CB 1.466 21 residues pruned to eliminate duplicates Z: 7 14.300 2.033 0.507 0.710 1.000 0.500 CB 1.574 7 residues pruned to eliminate duplicates Z: 6 5.386 1.588 0.618 0.488 0.800 0.800 CA 1.187 6 residues pruned to eliminate duplicates Z: 9 10.476 1.758 0.296 0.635 1.000 0.875 CA 1.432 7 residues pruned to eliminate duplicates Z: 9 9.068 2.149 0.431 0.471 0.750 0.375 CB 1.431 9 residues pruned to eliminate duplicates Z: 9 10.753 1.642 0.554 0.902 1.000 0.875 CB 1.063 Z: 11 6.373 1.728 0.342 0.339 0.900 0.400 N 1.151 Z: 6 12.961 1.925 0.567 0.679 1.000 0.400 CB 1.631 6 residues pruned to eliminate duplicates Z: 6 6.196 1.641 0.098 0.681 1.000 0.800 CA 1.302 6 residues pruned to eliminate duplicates Z: 13 22.307 1.976 0.675 0.851 0.917 0.833 CA 1.571 13 residues pruned to eliminate duplicates Z: 10 12.286 1.872 0.336 0.840 0.889 0.778 CB 1.374 10 residues pruned to eliminate duplicates Z: 14 15.719 2.039 1.102 0.369 0.692 0.538 CA 1.690 14 residues pruned to eliminate duplicates Z: 12 16.166 2.021 0.799 0.826 0.818 0.182 CB 1.236 12 residues pruned to eliminate duplicates Z: 16 20.555 1.886 0.891 0.931 1.000 0.800 CB 1.040 16 residues pruned to eliminate duplicates Z: 42 36.943 2.280 0.975 0.494 0.854 0.561 CB 1.509 42 residues pruned to eliminate duplicates Z: 16 23.542 2.103 0.867 0.825 0.867 0.533 CB 1.348 16 residues pruned to eliminate duplicates Z: 7 9.106 1.914 0.425 0.871 0.833 0.500 CB 1.193 7 residues pruned to eliminate duplicates Z: 112 75.513 2.445 0.933 0.487 0.919 0.649 CB 1.671 112 residues pruned to eliminate duplicates Z: 68 58.993 2.342 0.884 0.539 0.940 0.657 CB 1.672 68 residues pruned to eliminate duplicates Z: 20 32.841 2.211 0.567 0.776 1.000 0.684 CB 1.703 20 residues pruned to eliminate duplicates Z: 6 3.433 1.731 0.314 0.457 0.600 0.600 CB 1.176 Z: 26 37.975 2.361 0.973 0.590 0.920 0.560 CB 1.626 26 residues pruned to eliminate duplicates Z: 16 23.838 2.142 0.722 0.725 0.800 0.600 CB 1.703 16 residues pruned to eliminate duplicates Z: 14 38.737 2.332 0.856 0.914 1.000 0.923 CA 1.754 14 residues pruned to eliminate duplicates Z: 14 24.415 2.369 0.683 0.839 0.846 0.769 CB 1.500 14 residues pruned to eliminate duplicates Z: 8 9.921 1.660 0.363 0.861 1.000 0.714 CB 1.218 8 residues pruned to eliminate duplicates Z: 20 17.027 2.000 0.629 0.453 0.947 0.579 CB 1.328 20 residues pruned to eliminate duplicates Z: 11 37.942 2.484 0.833 0.874 1.000 0.800 CB 1.917 11 residues pruned to eliminate duplicates Z: 13 37.523 2.314 0.814 0.937 1.000 0.917 CA 1.796 13 residues pruned to eliminate duplicates Z: 92 52.604 2.209 0.822 0.468 0.923 0.571 CB 1.534 92 residues pruned to eliminate duplicates Z: 20 24.113 1.999 0.389 0.764 1.000 0.632 CB 1.577 19 residues pruned to eliminate duplicates Z: 66 66.798 2.496 1.009 0.519 0.892 0.600 CB 1.817 66 residues pruned to eliminate duplicates Z: 19 31.856 2.177 0.567 0.745 1.000 0.722 CB 1.767 19 residues pruned to eliminate duplicates Z: 8 6.428 1.933 0.638 0.283 0.714 0.286 C 1.373 8 residues pruned to eliminate duplicates Z: 25 36.035 2.324 1.004 0.595 0.875 0.542 CB 1.648 25 residues pruned to eliminate duplicates Z: 9 9.355 1.497 0.422 0.902 1.000 0.875 CB 1.108 8 residues pruned to eliminate duplicates Z: 15 13.805 1.996 0.619 0.514 0.857 0.714 CB 1.314 15 residues pruned to eliminate duplicates Z: 13 28.143 2.163 1.087 0.755 0.833 0.333 CA 1.721 13 residues pruned to eliminate duplicates Z: 10 11.309 2.078 0.563 0.350 0.889 0.444 CB 1.535 10 residues pruned to eliminate duplicates Z: 36 26.672 2.139 0.988 0.428 0.886 0.543 CB 1.290 36 residues pruned to eliminate duplicates Z: 9 11.152 2.004 0.544 0.527 0.875 0.625 CB 1.418 9 residues pruned to eliminate duplicates Z: 11 11.220 1.865 0.484 0.921 1.000 0.900 CB 0.902 11 residues pruned to eliminate duplicates Z: 7 8.390 1.844 0.210 0.855 1.000 0.833 CB 1.134 7 residues pruned to eliminate duplicates Z: 12 13.587 1.730 0.811 0.641 0.909 0.727 CB 1.260 13 residues pruned to eliminate duplicates Z: 91 52.364 2.245 0.856 0.483 0.856 0.556 CB 1.576 91 residues pruned to eliminate duplicates Z: 25 19.443 2.087 0.584 0.435 0.792 0.458 CB 1.621 25 residues pruned to eliminate duplicates Z: 6 7.259 1.571 0.162 0.864 1.000 0.800 N 1.303 6 residues pruned to eliminate duplicates Z: 11 10.935 1.787 0.333 0.815 0.900 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 7 11.938 1.843 0.668 0.849 1.000 0.667 CB 1.175 7 residues pruned to eliminate duplicates Z: 15 32.428 2.309 1.362 0.891 0.857 0.643 CB 1.333 15 residues pruned to eliminate duplicates Z: 8 9.710 1.644 0.376 0.883 1.000 0.857 CB 1.173 8 residues pruned to eliminate duplicates Z: 30 36.236 2.358 0.951 0.544 0.828 0.621 CB 1.692 28 residues pruned to eliminate duplicates Z: 74 72.272 2.522 1.032 0.500 0.890 0.603 CB 1.854 74 residues pruned to eliminate duplicates Z: 17 26.630 2.199 0.514 0.822 0.875 0.562 CB 1.729 17 residues pruned to eliminate duplicates Z: 14 18.538 1.985 1.040 0.541 0.769 0.615 CB 1.585 10 residues pruned to eliminate duplicates Z: 12 13.582 1.890 0.087 0.839 0.909 0.636 CB 1.637 12 residues pruned to eliminate duplicates Z: 6 2.773 1.519 0.422 0.485 0.600 0.600 CB 0.971 6 residues pruned to eliminate duplicates Z: 7 9.654 1.734 0.557 0.845 1.000 0.833 CB 1.086 7 residues pruned to eliminate duplicates Z: 37 29.932 2.081 0.844 0.600 0.944 0.639 CB 1.251 37 residues pruned to eliminate duplicates Z: 16 18.303 1.894 0.666 0.934 1.000 0.933 CB 1.044 16 residues pruned to eliminate duplicates Z: 15 13.125 1.869 0.378 0.918 1.000 0.786 CB 0.960 15 residues pruned to eliminate duplicates Z: 13 23.391 2.078 0.470 0.841 0.917 0.833 CA 1.798 13 residues pruned to eliminate duplicates Z: 54 53.556 2.307 1.010 0.543 0.925 0.717 CB 1.646 54 residues pruned to eliminate duplicates Z: 12 17.835 2.195 0.457 0.802 0.909 0.545 CB 1.421 12 residues pruned to eliminate duplicates Z: 7 5.327 1.691 0.693 0.410 0.667 0.500 CA 1.252 Z: 7 5.767 1.611 0.993 0.475 0.833 0.667 CB 0.902 Z: 91 62.856 2.436 0.868 0.462 0.900 0.622 CB 1.681 91 residues pruned to eliminate duplicates Z: 70 58.053 2.314 0.933 0.527 0.942 0.638 CB 1.616 70 residues pruned to eliminate duplicates Z: 10 20.272 2.172 0.477 0.877 0.889 0.778 CB 1.721 10 residues pruned to eliminate duplicates Z: 10 3.798 1.513 0.380 0.271 0.778 0.333 CA 1.011 10 residues pruned to eliminate duplicates Z: 24 15.189 1.850 0.714 0.327 0.913 0.652 CB 1.324 24 residues pruned to eliminate duplicates Z: 10 27.632 2.380 0.597 0.907 1.000 0.889 CB 1.722 10 residues pruned to eliminate duplicates Z: 34 22.710 2.103 0.487 0.514 0.818 0.636 CB 1.524 34 residues pruned to eliminate duplicates Z: 8 8.709 1.612 0.312 0.900 1.000 0.857 CB 1.112 8 residues pruned to eliminate duplicates Z: 32 25.952 2.089 0.762 0.438 0.871 0.613 CB 1.550 32 residues pruned to eliminate duplicates Z: 6 2.865 1.543 0.688 0.238 0.800 0.800 CB 0.833 6 residues pruned to eliminate duplicates Z: 7 3.496 1.865 -0.199 0.403 1.000 0.333 CB 1.058 Z: 15 8.910 1.706 0.267 0.406 0.929 0.357 CB 1.310 15 residues pruned to eliminate duplicates Z: 14 26.642 2.421 1.235 0.342 0.923 0.538 CB 1.757 14 residues pruned to eliminate duplicates Z: 34 23.232 2.136 0.553 0.473 0.848 0.636 CB 1.478 34 residues pruned to eliminate duplicates Z: 9 7.099 1.351 0.871 0.526 0.875 0.875 CB 1.106 Z: 38 38.075 2.390 0.879 0.492 0.838 0.649 CB 1.677 42 residues pruned to eliminate duplicates Z: 21 26.432 2.139 1.047 0.499 0.950 0.500 CB 1.423 21 residues pruned to eliminate duplicates Z: 9 7.871 1.691 0.203 0.815 0.875 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 37 19.423 1.912 0.444 0.581 0.944 0.694 CB 1.148 37 residues pruned to eliminate duplicates Z: 13 12.590 1.603 0.469 0.798 1.000 0.667 CB 1.189 13 residues pruned to eliminate duplicates Z: 27 26.203 1.916 0.742 0.678 0.885 0.692 CB 1.478 34 residues pruned to eliminate duplicates Z: 50 58.330 2.573 1.012 0.461 0.918 0.592 CB 1.823 50 residues pruned to eliminate duplicates Z: 16 17.061 1.919 0.390 0.720 0.933 0.733 CA 1.451 16 residues pruned to eliminate duplicates Z: 15 24.754 2.177 0.374 0.853 0.929 0.786 CB 1.760 15 residues pruned to eliminate duplicates Z: 6 4.851 1.462 0.512 0.821 1.000 0.800 CA 0.743 6 residues pruned to eliminate duplicates Z: 12 22.685 2.335 0.345 0.909 0.909 0.818 CA 1.701 12 residues pruned to eliminate duplicates Z: 10 14.395 1.891 0.382 0.862 1.000 0.667 CB 1.348 10 residues pruned to eliminate duplicates Z: 10 11.758 1.879 0.122 0.876 1.000 0.667 CB 1.351 10 residues pruned to eliminate duplicates Z: 28 23.673 2.123 0.756 0.412 0.963 0.667 CB 1.391 28 residues pruned to eliminate duplicates Z: 15 24.841 2.352 0.371 0.839 1.000 0.786 CB 1.537 15 residues pruned to eliminate duplicates Z: 37 57.760 2.565 1.088 0.529 0.917 0.694 CB 1.906 37 residues pruned to eliminate duplicates Z: 12 25.665 2.316 0.759 0.826 0.909 0.818 CB 1.575 12 residues pruned to eliminate duplicates Z: 15 8.408 1.635 0.241 0.392 0.929 0.357 CB 1.337 15 residues pruned to eliminate duplicates Z: 24 41.998 2.458 0.991 0.629 0.913 0.609 CB 1.735 24 residues pruned to eliminate duplicates Z: 20 26.980 2.424 0.801 0.742 0.789 0.526 CB 1.446 20 residues pruned to eliminate duplicates Z: 29 48.303 2.492 1.132 0.633 0.929 0.714 CB 1.634 29 residues pruned to eliminate duplicates Z: 75 47.779 2.191 0.790 0.580 0.919 0.635 CB 1.427 77 residues pruned to eliminate duplicates Z: 12 15.518 1.956 0.543 0.800 0.727 0.545 N 1.640 12 residues pruned to eliminate duplicates Z: 30 49.865 2.456 1.041 0.507 0.931 0.586 CB 1.971 30 residues pruned to eliminate duplicates Z: 17 22.236 2.220 0.994 0.384 0.938 0.625 CB 1.515 17 residues pruned to eliminate duplicates Z: 15 16.522 1.962 0.764 0.907 1.000 0.429 CB 0.907 15 residues pruned to eliminate duplicates Z: 17 8.364 1.772 0.470 0.380 0.812 0.625 CB 1.122 17 residues pruned to eliminate duplicates Z: 33 35.645 2.254 0.902 0.432 0.969 0.625 CB 1.628 33 residues pruned to eliminate duplicates Z: 6 4.280 1.895 0.053 0.711 1.000 0.800 CB 0.792 Z: 16 27.906 2.145 1.125 0.881 0.933 0.467 CB 1.226 16 residues pruned to eliminate duplicates Z: 16 18.304 2.006 0.910 0.516 0.867 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 6 11.298 2.048 0.534 0.784 1.000 0.600 CA 1.252 6 residues pruned to eliminate duplicates Z: 17 16.574 2.076 0.708 0.480 0.875 0.812 CB 1.362 17 residues pruned to eliminate duplicates Z: 6 4.136 1.920 -0.158 0.571 0.800 0.400 N 1.335 6 residues pruned to eliminate duplicates Z: 32 27.356 2.049 0.874 0.379 0.935 0.548 CB 1.555 32 residues pruned to eliminate duplicates Z: 9 10.700 1.705 0.374 0.889 0.875 0.500 CB 1.330 9 residues pruned to eliminate duplicates Z: 11 12.009 1.657 0.364 0.819 1.000 0.900 CB 1.274 11 residues pruned to eliminate duplicates Z: 10 16.791 2.168 0.317 0.833 0.889 0.667 CB 1.656 10 residues pruned to eliminate duplicates Z: 12 16.056 1.878 0.464 0.835 0.909 0.636 CB 1.451 12 residues pruned to eliminate duplicates Z: 78 48.343 2.210 0.869 0.543 0.909 0.610 CB 1.407 78 residues pruned to eliminate duplicates Z: 102 64.782 2.270 0.968 0.514 0.911 0.564 CB 1.562 102 residues pruned to eliminate duplicates Z: 15 15.358 1.903 0.541 0.924 1.000 1.000 CB 0.983 15 residues pruned to eliminate duplicates Z: 6 4.658 1.550 0.553 0.738 0.800 0.600 N 0.874 Z: 66 53.848 2.338 0.841 0.517 0.938 0.615 CB 1.625 66 residues pruned to eliminate duplicates Z: 6 5.363 1.562 0.283 0.476 1.000 0.800 CA 1.226 Z: 7 7.062 1.984 0.681 0.305 0.833 0.667 CA 1.289 7 residues pruned to eliminate duplicates Z: 8 5.471 1.702 0.073 0.894 1.000 1.000 CB 0.812 8 residues pruned to eliminate duplicates Z: 13 39.521 2.395 0.955 0.915 0.917 0.583 CB 1.879 13 residues pruned to eliminate duplicates Z: 17 14.454 1.793 0.469 0.893 1.000 0.500 CB 0.985 17 residues pruned to eliminate duplicates Z: 32 22.788 1.757 0.572 0.597 1.000 0.613 CB 1.351 31 residues pruned to eliminate duplicates Z: 22 15.947 1.867 0.963 0.363 0.762 0.429 CB 1.444 22 residues pruned to eliminate duplicates Z: 59 46.863 2.296 0.851 0.525 0.897 0.621 CB 1.575 59 residues pruned to eliminate duplicates Z: 90 53.228 2.284 0.896 0.479 0.854 0.494 CB 1.558 139 residues pruned to eliminate duplicates Z: 9 8.921 1.519 0.618 0.910 1.000 0.875 CB 0.910 Z: 9 9.800 1.635 0.325 0.919 1.000 0.750 CB 1.126 10 residues pruned to eliminate duplicates Z: 6 10.987 1.649 0.733 0.822 1.000 0.800 CB 1.300 Z: 13 25.783 2.443 1.095 0.276 1.000 0.750 CB 1.873 13 residues pruned to eliminate duplicates Z: 12 25.536 2.324 0.461 0.894 1.000 1.000 CA 1.628 12 residues pruned to eliminate duplicates Z: 20 14.100 1.998 0.540 0.394 0.895 0.526 CB 1.314 20 residues pruned to eliminate duplicates Z: 16 37.527 2.240 1.012 0.900 1.000 0.867 CB 1.536 16 residues pruned to eliminate duplicates Z: 10 17.851 2.083 1.040 0.695 0.778 0.444 CB 1.506 10 residues pruned to eliminate duplicates Z: 7 9.575 1.925 0.388 0.867 0.833 0.833 CB 1.285 7 residues pruned to eliminate duplicates Z: 35 30.390 2.084 0.842 0.634 0.941 0.618 CB 1.271 35 residues pruned to eliminate duplicates Z: 15 15.989 2.099 0.358 0.596 0.857 0.643 CA 1.594 15 residues pruned to eliminate duplicates Z: 88 72.073 2.498 0.922 0.516 0.885 0.644 CB 1.790 88 residues pruned to eliminate duplicates Z: 24 43.583 2.493 1.191 0.432 0.957 0.609 CB 1.866 24 residues pruned to eliminate duplicates Z: 6 2.661 1.567 0.295 0.291 0.600 0.600 CA 1.235 Z: 11 12.745 2.063 0.705 0.497 0.800 0.500 CB 1.437 10 residues pruned to eliminate duplicates Z: 101 78.942 2.488 0.985 0.501 0.910 0.620 CB 1.754 101 residues pruned to eliminate duplicates Z: 40 34.243 2.225 0.692 0.611 0.923 0.590 CB 1.420 40 residues pruned to eliminate duplicates Z: 6 5.565 1.733 -0.075 0.645 1.000 0.600 N 1.355 Z: 23 13.833 1.807 0.657 0.391 0.909 0.682 CB 1.216 Z: 6 4.801 1.802 -0.022 0.466 1.000 1.000 CB 1.262 6 residues pruned to eliminate duplicates Z: 10 20.382 2.127 0.405 0.895 1.000 0.889 CB 1.630 10 residues pruned to eliminate duplicates Z: 9 10.023 1.612 0.502 0.871 1.000 0.625 CB 1.068 9 residues pruned to eliminate duplicates Z: 100 66.690 2.330 0.944 0.505 0.909 0.616 CB 1.620 123 residues pruned to eliminate duplicates Z: 36 31.209 2.037 0.911 0.578 0.971 0.657 CB 1.294 36 residues pruned to eliminate duplicates Z: 10 12.403 1.656 0.529 0.844 1.000 0.667 CB 1.214 10 residues pruned to eliminate duplicates Z: 22 11.754 1.663 0.361 0.591 0.905 0.667 CB 1.149 9 residues pruned to eliminate duplicates Z: 17 21.524 2.068 0.495 0.831 0.938 0.625 CB 1.394 17 residues pruned to eliminate duplicates Z: 6 7.662 1.839 0.194 0.773 1.000 0.800 CA 1.225 Z: 11 11.460 1.613 0.463 0.823 1.000 0.800 CB 1.161 11 residues pruned to eliminate duplicates Z: 20 10.785 1.803 0.579 0.419 0.895 0.474 CB 1.057 20 residues pruned to eliminate duplicates Z: 19 30.938 2.451 0.737 0.808 0.833 0.389 CB 1.572 19 residues pruned to eliminate duplicates Z: 12 5.272 1.766 0.207 0.522 0.818 0.545 CB 0.892 6 residues pruned to eliminate duplicates Z: 6 5.686 1.538 0.742 0.708 1.000 0.400 CA 0.786 Z: 52 27.470 1.962 0.539 0.546 0.961 0.569 CB 1.267 53 residues pruned to eliminate duplicates Z: 17 18.599 2.056 0.311 0.814 0.875 0.688 CB 1.501 17 residues pruned to eliminate duplicates Z: 28 52.062 2.518 1.184 0.641 0.926 0.556 CB 1.725 31 residues pruned to eliminate duplicates Z: 18 22.570 2.134 0.354 0.830 0.941 0.529 CB 1.513 18 residues pruned to eliminate duplicates Z: 10 20.020 2.044 0.626 0.856 0.889 0.778 CB 1.666 10 residues pruned to eliminate duplicates Z: 72 70.295 2.484 0.954 0.523 0.915 0.634 CB 1.835 72 residues pruned to eliminate duplicates Z: 11 7.057 1.375 0.531 0.805 1.000 0.700 CB 0.812 10 residues pruned to eliminate duplicates Z: 26 36.570 2.319 0.940 0.596 0.920 0.760 CB 1.612 26 residues pruned to eliminate duplicates Z: 65 48.663 2.342 1.018 0.433 0.859 0.578 CB 1.604 65 residues pruned to eliminate duplicates Z: 7 8.416 1.750 0.482 0.513 0.833 0.667 N 1.570 7 residues pruned to eliminate duplicates Z: 23 21.890 1.899 0.676 0.585 0.955 0.682 CB 1.415 23 residues pruned to eliminate duplicates Z: 26 29.544 2.268 0.910 0.629 0.760 0.640 CB 1.589 26 residues pruned to eliminate duplicates Z: 7 5.446 1.733 0.408 0.462 0.833 0.667 CB 1.136 6 residues pruned to eliminate duplicates Z: 31 19.941 2.108 0.487 0.420 0.900 0.633 CB 1.402 31 residues pruned to eliminate duplicates Z: 16 16.218 1.850 0.608 0.920 1.000 0.867 CB 0.991 16 residues pruned to eliminate duplicates Z: 17 23.309 2.094 0.600 0.793 0.938 0.562 CB 1.435 17 residues pruned to eliminate duplicates Z: 6 4.152 1.742 0.071 0.584 1.000 0.600 CB 0.918 6 residues pruned to eliminate duplicates Z: 26 27.675 2.158 0.539 0.705 0.920 0.680 CB 1.503 26 residues pruned to eliminate duplicates Z: 45 37.035 2.139 0.787 0.474 0.932 0.591 CB 1.610 45 residues pruned to eliminate duplicates Z: 50 25.053 2.014 0.536 0.536 0.918 0.653 CB 1.216 50 residues pruned to eliminate duplicates Z: 6 7.426 1.663 0.701 0.725 1.000 0.600 CB 0.958 6 residues pruned to eliminate duplicates Z: 6 4.852 1.596 -0.031 0.736 1.000 0.600 CB 1.136 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 8.483 1.710 0.209 0.739 1.000 0.714 CB 1.252 8 residues pruned to eliminate duplicates Z: 6 3.606 1.639 -0.112 0.531 1.000 0.800 N 1.074 6 residues pruned to eliminate duplicates Z: 19 34.072 2.236 0.643 0.741 1.000 0.500 CB 1.762 19 residues pruned to eliminate duplicates Z: 22 24.701 2.097 0.561 0.632 0.905 0.524 CB 1.607 22 residues pruned to eliminate duplicates Z: 21 22.976 2.129 0.488 0.699 0.850 0.450 CB 1.592 21 residues pruned to eliminate duplicates Z: 21 23.762 2.056 0.464 0.687 0.900 0.550 CB 1.653 21 residues pruned to eliminate duplicates Z: 21 23.347 2.092 0.474 0.599 0.900 0.500 CA 1.712 21 residues pruned to eliminate duplicates Z: 11 24.760 2.169 0.694 0.856 1.000 0.800 CB 1.571 11 residues pruned to eliminate duplicates Z: 21 25.539 2.143 0.489 0.725 0.900 0.600 CB 1.623 21 residues pruned to eliminate duplicates Z: 22 25.078 2.128 0.347 0.684 0.952 0.667 CB 1.693 22 residues pruned to eliminate duplicates Z: 20 34.001 2.240 0.651 0.721 1.000 0.579 CB 1.728 20 residues pruned to eliminate duplicates Z: 23 22.565 2.094 0.439 0.588 0.909 0.545 CB 1.614 23 residues pruned to eliminate duplicates Z: 17 29.094 2.263 0.550 0.710 0.938 0.625 CB 1.828 17 residues pruned to eliminate duplicates Z: 23 29.942 2.119 0.624 0.662 0.955 0.682 CB 1.673 23 residues pruned to eliminate duplicates Z: 18 23.200 2.126 0.505 0.699 0.882 0.647 CB 1.662 18 residues pruned to eliminate duplicates Z: 22 23.031 2.028 0.605 0.658 0.905 0.619 CB 1.473 22 residues pruned to eliminate duplicates Z: 21 25.716 2.120 0.561 0.677 0.900 0.700 CB 1.641 21 residues pruned to eliminate duplicates Z: 20 25.703 2.112 0.521 0.752 0.947 0.684 CB 1.546 20 residues pruned to eliminate duplicates Z: 56 29.313 1.961 0.478 0.599 0.891 0.709 CB 1.393 56 residues pruned to eliminate duplicates Z: 48 27.610 1.962 0.559 0.525 0.894 0.574 CB 1.438 48 residues pruned to eliminate duplicates Z: 30 20.982 2.071 0.754 0.490 0.793 0.552 CB 1.365 30 residues pruned to eliminate duplicates Z: 29 28.638 2.172 0.597 0.627 0.893 0.607 CB 1.551 29 residues pruned to eliminate duplicates Z: 14 8.251 1.957 0.545 0.341 0.769 0.538 CB 1.170 14 residues pruned to eliminate duplicates Z: 38 18.541 1.825 0.421 0.580 0.892 0.649 CB 1.221 38 residues pruned to eliminate duplicates Z: 8 13.493 2.259 0.615 0.585 0.857 0.857 CB 1.503 8 residues pruned to eliminate duplicates Z: 36 18.145 1.808 0.499 0.534 0.886 0.600 CB 1.236 36 residues pruned to eliminate duplicates Z: 34 14.679 1.818 0.378 0.452 0.879 0.667 CB 1.220 34 residues pruned to eliminate duplicates Z: 26 14.373 1.886 0.438 0.487 0.840 0.600 CB 1.279 26 residues pruned to eliminate duplicates Z: 58 27.779 1.889 0.499 0.592 0.912 0.684 CB 1.305 58 residues pruned to eliminate duplicates Z: 36 16.110 1.807 0.460 0.474 0.857 0.571 CB 1.236 36 residues pruned to eliminate duplicates Z: 22 16.272 1.765 0.519 0.611 0.952 0.714 CB 1.252 19 residues pruned to eliminate duplicates Z: 11 11.824 1.693 0.336 0.822 0.900 0.700 CA 1.390 11 residues pruned to eliminate duplicates Z: 41 22.477 2.017 0.472 0.545 0.850 0.675 CB 1.348 41 residues pruned to eliminate duplicates Z: 31 17.486 1.869 0.613 0.494 0.833 0.567 CB 1.279 31 residues pruned to eliminate duplicates Z: 19 9.689 1.630 0.435 0.516 0.944 0.556 CB 1.018 19 residues pruned to eliminate duplicates Z: 28 16.369 1.686 0.594 0.610 0.963 0.667 CB 1.097 29 residues pruned to eliminate duplicates Z: 11 11.822 1.757 0.360 0.868 1.000 0.800 CB 1.144 12 residues pruned to eliminate duplicates Z: 12 14.151 1.800 0.590 0.848 0.909 0.455 CB 1.217 12 residues pruned to eliminate duplicates Z: 36 17.427 1.815 0.493 0.486 0.886 0.743 CB 1.244 36 residues pruned to eliminate duplicates Z: 30 16.327 1.718 0.483 0.639 0.897 0.724 CB 1.165 30 residues pruned to eliminate duplicates Z: 18 12.364 1.648 0.604 0.484 0.941 0.647 CB 1.225 18 residues pruned to eliminate duplicates Z: 27 16.748 1.749 0.506 0.622 0.923 0.692 CB 1.204 27 residues pruned to eliminate duplicates Z: 21 11.475 1.579 0.568 0.551 0.900 0.700 CB 1.096 21 residues pruned to eliminate duplicates Z: 16 15.910 1.617 0.784 0.729 1.000 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 9 6.846 1.567 0.449 0.615 0.875 0.750 CB 1.093 9 residues pruned to eliminate duplicates Z: 19 12.448 1.594 0.630 0.422 1.000 0.778 CB 1.224 19 residues pruned to eliminate duplicates Z: 20 10.381 1.605 0.521 0.384 0.947 0.684 CB 1.164 20 residues pruned to eliminate duplicates Z: 23 13.075 1.568 0.643 0.577 0.955 0.864 CB 1.052 23 residues pruned to eliminate duplicates Z: 15 13.106 1.627 0.592 0.602 1.000 0.786 CB 1.227 15 residues pruned to eliminate duplicates Z: 27 18.616 1.711 0.554 0.644 0.962 0.692 CB 1.248 27 residues pruned to eliminate duplicates Z: 22 15.789 1.630 0.723 0.617 0.952 0.762 CB 1.153 22 residues pruned to eliminate duplicates Z: 10 9.625 1.436 0.516 0.926 1.000 0.667 CB 1.033 10 residues pruned to eliminate duplicates Z: 21 22.471 2.234 0.692 0.658 0.800 0.300 CB 1.435 19 residues pruned to eliminate duplicates Z: 16 26.082 2.255 0.559 0.815 1.000 0.667 CB 1.456 16 residues pruned to eliminate duplicates Z: 18 29.784 2.355 0.429 0.718 1.000 0.529 CB 1.763 20 residues pruned to eliminate duplicates Z: 16 32.468 2.277 0.677 0.781 1.000 0.667 CB 1.714 16 residues pruned to eliminate duplicates Z: 16 29.568 2.328 0.602 0.824 0.933 0.733 CB 1.656 16 residues pruned to eliminate duplicates Z: 19 22.857 2.166 0.489 0.768 0.944 0.667 CB 1.395 19 residues pruned to eliminate duplicates Z: 20 23.927 2.226 0.360 0.709 0.947 0.579 CB 1.583 20 residues pruned to eliminate duplicates Z: 20 28.687 2.287 0.482 0.760 0.947 0.632 CB 1.626 18 residues pruned to eliminate duplicates Z: 18 24.138 2.219 0.365 0.796 1.000 0.824 CB 1.491 18 residues pruned to eliminate duplicates Z: 20 30.244 2.296 0.550 0.719 1.000 0.632 CB 1.599 20 residues pruned to eliminate duplicates Z: 16 31.240 2.357 0.609 0.782 1.000 0.667 CB 1.660 16 residues pruned to eliminate duplicates Z: 114 87.827 2.505 0.879 0.537 0.938 0.593 CB 1.805 144 residues pruned to eliminate duplicates Z: 17 32.836 2.241 0.864 0.753 1.000 0.500 CB 1.569 Z: 17 23.582 2.136 0.573 0.724 0.938 0.562 CB 1.529 17 residues pruned to eliminate duplicates Z: 19 30.213 2.288 0.637 0.710 0.944 0.500 CB 1.664 19 residues pruned to eliminate duplicates Z: 21 28.919 2.253 0.627 0.729 0.950 0.450 CB 1.511 19 residues pruned to eliminate duplicates Z: 10 10.562 1.970 0.319 0.666 0.778 0.556 CA 1.494 10 residues pruned to eliminate duplicates Z: 37 28.329 1.947 0.676 0.574 0.944 0.583 CB 1.426 40 residues pruned to eliminate duplicates Z: 10 21.594 2.208 0.497 0.871 0.889 0.556 CB 1.787 10 residues pruned to eliminate duplicates Z: 28 27.238 1.931 0.608 0.692 0.963 0.704 CB 1.471 28 residues pruned to eliminate duplicates Z: 30 24.308 1.868 0.564 0.619 0.966 0.690 CB 1.431 30 residues pruned to eliminate duplicates Z: 15 17.292 2.014 0.527 0.574 0.929 0.571 CB 1.508 15 residues pruned to eliminate duplicates Z: 23 20.298 1.933 0.561 0.567 0.909 0.682 CB 1.479 23 residues pruned to eliminate duplicates Z: 28 24.223 1.907 0.473 0.656 1.000 0.741 CB 1.435 28 residues pruned to eliminate duplicates Z: 50 33.150 2.098 0.578 0.564 0.898 0.592 CB 1.497 48 residues pruned to eliminate duplicates Z: 13 15.887 1.789 0.505 0.782 0.833 0.583 CB 1.594 13 residues pruned to eliminate duplicates Z: 55 35.354 2.020 0.616 0.623 0.889 0.685 CB 1.477 57 residues pruned to eliminate duplicates Z: 14 20.996 1.911 0.647 0.735 0.923 0.846 CB 1.624 14 residues pruned to eliminate duplicates Z: 27 24.920 1.905 0.614 0.652 0.962 0.769 CB 1.434 27 residues pruned to eliminate duplicates Z: 26 16.075 1.982 0.500 0.418 0.800 0.480 CB 1.472 26 residues pruned to eliminate duplicates Z: 129 76.709 2.425 0.857 0.483 0.906 0.594 CB 1.691 129 residues pruned to eliminate duplicates Z: 24 20.075 2.041 0.588 0.437 0.870 0.478 CB 1.585 24 residues pruned to eliminate duplicates Z: 115 68.472 2.418 0.921 0.447 0.868 0.544 CB 1.679 115 residues pruned to eliminate duplicates Z: 116 75.523 2.441 0.942 0.464 0.896 0.522 CB 1.719 116 residues pruned to eliminate duplicates Z: 14 8.378 1.842 0.616 0.277 0.769 0.462 CB 1.305 14 residues pruned to eliminate duplicates Z: 43 36.818 2.278 0.848 0.431 0.905 0.500 CB 1.601 43 residues pruned to eliminate duplicates Z: 26 20.639 2.213 0.671 0.325 0.880 0.480 CB 1.537 26 residues pruned to eliminate duplicates Z: 109 75.737 2.460 0.913 0.494 0.898 0.611 CB 1.735 109 residues pruned to eliminate duplicates Z: 37 41.222 2.339 0.843 0.503 0.972 0.611 CB 1.635 37 residues pruned to eliminate duplicates Z: 90 69.759 2.455 0.954 0.478 0.921 0.596 CB 1.712 90 residues pruned to eliminate duplicates Z: 20 14.618 2.046 0.464 0.412 0.947 0.579 CB 1.296 20 residues pruned to eliminate duplicates Z: 17 13.846 2.045 0.542 0.429 0.938 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 12 9.968 1.980 0.622 0.365 1.000 0.818 CB 1.081 12 residues pruned to eliminate duplicates Z: 92 72.356 2.443 0.999 0.479 0.912 0.582 CB 1.739 92 residues pruned to eliminate duplicates Z: 38 48.997 2.389 0.985 0.514 1.000 0.730 CB 1.674 38 residues pruned to eliminate duplicates Z: 85 66.301 2.497 0.979 0.453 0.881 0.607 CB 1.743 85 residues pruned to eliminate duplicates Z: 108 74.620 2.485 0.960 0.490 0.888 0.617 CB 1.685 108 residues pruned to eliminate duplicates Z: 82 72.188 2.453 0.984 0.501 0.938 0.593 CB 1.755 82 residues pruned to eliminate duplicates Z: 86 50.044 2.224 0.747 0.535 0.871 0.612 CB 1.551 86 residues pruned to eliminate duplicates Z: 33 24.118 2.215 0.706 0.340 0.938 0.594 CB 1.432 33 residues pruned to eliminate duplicates Z: 43 43.832 2.314 0.855 0.495 0.976 0.548 CB 1.623 43 residues pruned to eliminate duplicates Z: 114 87.878 2.474 1.057 0.514 0.920 0.593 CB 1.740 114 residues pruned to eliminate duplicates Z: 6 6.013 1.822 1.278 0.102 0.800 0.600 CA 1.346 6 residues pruned to eliminate duplicates Z: 43 42.211 2.303 0.839 0.489 0.976 0.571 CB 1.593 43 residues pruned to eliminate duplicates Z: 27 37.551 2.379 0.859 0.502 0.885 0.462 CB 1.878 27 residues pruned to eliminate duplicates Z: 43 43.498 2.274 0.897 0.482 0.952 0.619 CB 1.663 43 residues pruned to eliminate duplicates Z: 105 70.962 2.394 0.934 0.491 0.904 0.615 CB 1.678 105 residues pruned to eliminate duplicates Z: 68 69.460 2.567 0.965 0.499 0.910 0.552 CB 1.849 68 residues pruned to eliminate duplicates Z: 70 68.930 2.548 1.003 0.480 0.913 0.594 CB 1.818 70 residues pruned to eliminate duplicates Z: 43 48.049 2.330 0.982 0.494 1.000 0.643 CB 1.615 43 residues pruned to eliminate duplicates Z: 43 49.330 2.375 0.993 0.499 0.929 0.714 CB 1.734 43 residues pruned to eliminate duplicates Z: 27 44.735 2.414 1.050 0.551 0.923 0.577 CB 1.828 27 residues pruned to eliminate duplicates Z: 27 36.953 2.445 0.730 0.469 0.962 0.692 CB 1.839 27 residues pruned to eliminate duplicates Z: 113 77.905 2.454 1.024 0.487 0.884 0.607 CB 1.699 113 residues pruned to eliminate duplicates Z: 29 41.332 2.358 1.034 0.513 0.893 0.536 CA 1.801 29 residues pruned to eliminate duplicates Z: 23 37.046 2.402 1.031 0.520 0.864 0.636 CB 1.838 23 residues pruned to eliminate duplicates Z: 85 75.643 2.453 1.028 0.516 0.929 0.643 CB 1.758 85 residues pruned to eliminate duplicates Z: 91 65.966 2.463 0.936 0.453 0.878 0.533 CB 1.744 91 residues pruned to eliminate duplicates Z: 47 33.839 2.183 0.857 0.441 0.870 0.652 CB 1.504 47 residues pruned to eliminate duplicates Z: 79 72.189 2.483 0.962 0.509 0.949 0.615 CB 1.754 79 residues pruned to eliminate duplicates Z: 94 73.842 2.498 0.916 0.515 0.892 0.602 CB 1.767 94 residues pruned to eliminate duplicates Z: 108 74.169 2.461 1.019 0.494 0.879 0.579 CB 1.652 108 residues pruned to eliminate duplicates Z: 50 57.663 2.566 0.970 0.476 0.939 0.612 CB 1.779 50 residues pruned to eliminate duplicates Z: 50 58.512 2.548 1.050 0.491 0.939 0.633 CB 1.721 50 residues pruned to eliminate duplicates Z: 84 63.686 2.461 0.917 0.484 0.904 0.566 CB 1.666 84 residues pruned to eliminate duplicates Z: 51 53.864 2.556 0.903 0.493 0.900 0.560 CB 1.752 51 residues pruned to eliminate duplicates Z: 68 66.571 2.440 1.075 0.523 0.940 0.746 CB 1.671 68 residues pruned to eliminate duplicates Z: 56 49.786 2.441 0.957 0.433 0.891 0.564 CB 1.689 56 residues pruned to eliminate duplicates Z: 67 67.203 2.538 1.073 0.499 0.879 0.576 CB 1.792 67 residues pruned to eliminate duplicates Z: 73 69.547 2.535 1.012 0.509 0.931 0.639 CB 1.712 73 residues pruned to eliminate duplicates Z: 72 66.307 2.505 1.031 0.477 0.915 0.577 CB 1.730 72 residues pruned to eliminate duplicates Z: 40 60.894 2.534 1.208 0.525 0.897 0.615 CB 1.895 40 residues pruned to eliminate duplicates Z: 28 47.408 2.586 1.048 0.516 0.889 0.704 CB 1.908 28 residues pruned to eliminate duplicates Z: 113 81.590 2.442 1.016 0.503 0.920 0.616 CB 1.698 113 residues pruned to eliminate duplicates Z: 72 61.482 2.493 0.949 0.478 0.901 0.634 CB 1.704 72 residues pruned to eliminate duplicates Z: 52 51.598 2.513 0.935 0.437 0.902 0.588 CB 1.758 52 residues pruned to eliminate duplicates Z: 76 74.299 2.531 1.005 0.501 0.933 0.587 CB 1.810 76 residues pruned to eliminate duplicates Z: 57 52.416 2.427 0.994 0.432 0.857 0.571 CB 1.811 57 residues pruned to eliminate duplicates Z: 49 48.981 2.422 1.051 0.485 0.833 0.583 CB 1.733 49 residues pruned to eliminate duplicates Z: 37 39.487 2.503 0.918 0.413 0.917 0.500 CB 1.637 37 residues pruned to eliminate duplicates Z: 39 61.735 2.572 1.168 0.535 0.895 0.658 CB 1.939 39 residues pruned to eliminate duplicates Z: 36 36.052 2.447 0.900 0.396 0.857 0.571 CB 1.706 36 residues pruned to eliminate duplicates Z: 65 67.621 2.512 0.988 0.508 0.938 0.531 CB 1.791 65 residues pruned to eliminate duplicates Z: 50 55.668 2.495 1.034 0.455 0.918 0.429 CB 1.786 50 residues pruned to eliminate duplicates Z: 37 62.113 2.577 1.203 0.512 0.917 0.556 CB 1.965 37 residues pruned to eliminate duplicates Z: 70 68.514 2.550 0.979 0.507 0.899 0.594 CB 1.806 70 residues pruned to eliminate duplicates Z: 37 53.363 2.508 1.049 0.496 0.889 0.639 CB 1.956 37 residues pruned to eliminate duplicates Z: 28 29.130 2.302 0.816 0.342 0.889 0.444 CB 1.791 28 residues pruned to eliminate duplicates Z: 36 38.862 2.426 0.918 0.470 0.857 0.571 CB 1.698 36 residues pruned to eliminate duplicates Z: 116 72.290 2.402 0.938 0.495 0.878 0.661 CB 1.657 116 residues pruned to eliminate duplicates Z: 18 29.414 2.388 1.084 0.377 0.882 0.588 CB 1.853 18 residues pruned to eliminate duplicates Z: 37 44.465 2.490 0.998 0.463 0.917 0.556 CB 1.687 37 residues pruned to eliminate duplicates Z: 43 56.442 2.516 1.057 0.514 0.905 0.619 CB 1.834 43 residues pruned to eliminate duplicates Z: 33 41.383 2.413 1.042 0.430 0.875 0.562 CB 1.824 33 residues pruned to eliminate duplicates Z: 63 65.511 2.468 1.019 0.490 0.919 0.613 CB 1.834 63 residues pruned to eliminate duplicates Z: 50 53.454 2.482 0.988 0.449 0.918 0.653 CB 1.775 50 residues pruned to eliminate duplicates Z: 64 61.432 2.437 0.998 0.485 0.905 0.508 CB 1.784 64 residues pruned to eliminate duplicates Z: 33 40.020 2.397 1.139 0.426 0.875 0.469 CB 1.704 33 residues pruned to eliminate duplicates Z: 46 49.815 2.463 1.035 0.468 0.889 0.578 CB 1.721 46 residues pruned to eliminate duplicates Z: 44 63.204 2.614 1.179 0.494 0.907 0.628 CB 1.878 44 residues pruned to eliminate duplicates Z: 72 59.359 2.461 0.993 0.463 0.887 0.563 CB 1.680 72 residues pruned to eliminate duplicates Z: 23 29.882 2.504 1.002 0.350 0.864 0.591 CB 1.732 23 residues pruned to eliminate duplicates Z: 37 41.907 2.379 0.959 0.407 0.944 0.472 CB 1.749 37 residues pruned to eliminate duplicates Z: 73 67.150 2.478 0.981 0.475 0.917 0.569 CB 1.803 73 residues pruned to eliminate duplicates Z: 16 5.472 1.851 0.492 0.147 0.800 0.333 CB 0.988 16 residues pruned to eliminate duplicates Z: 90 77.182 2.456 1.095 0.498 0.944 0.607 CB 1.689 90 residues pruned to eliminate duplicates Z: 48 53.886 2.475 1.129 0.446 0.915 0.574 CB 1.723 48 residues pruned to eliminate duplicates Z: 47 48.755 2.476 0.921 0.503 0.891 0.500 CB 1.690 47 residues pruned to eliminate duplicates Z: 27 32.856 2.487 0.751 0.547 0.846 0.500 CB 1.670 27 residues pruned to eliminate duplicates Z: 39 33.401 2.284 0.785 0.517 0.789 0.474 CB 1.656 26 residues pruned to eliminate duplicates Z: 14 32.187 2.272 0.991 0.833 0.923 0.538 CB 1.604 14 residues pruned to eliminate duplicates Z: 35 42.060 2.412 1.048 0.550 0.882 0.559 CB 1.576 35 residues pruned to eliminate duplicates Z: 52 56.483 2.471 0.962 0.511 0.882 0.490 CB 1.829 52 residues pruned to eliminate duplicates Z: 26 41.987 2.454 0.921 0.634 0.880 0.520 CB 1.785 26 residues pruned to eliminate duplicates Z: 26 42.221 2.481 0.913 0.589 0.920 0.600 CB 1.776 26 residues pruned to eliminate duplicates Z: 54 68.209 2.519 1.096 0.577 0.943 0.604 CB 1.746 68 residues pruned to eliminate duplicates Z: 15 38.650 2.139 1.205 0.912 1.000 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 62 56.311 2.485 0.938 0.515 0.885 0.541 CB 1.666 62 residues pruned to eliminate duplicates Z: 26 43.622 2.459 0.976 0.632 0.880 0.640 CB 1.803 25 residues pruned to eliminate duplicates Z: 15 26.910 2.252 0.853 0.825 0.929 0.714 CB 1.401 15 residues pruned to eliminate duplicates Z: 26 34.353 2.477 0.738 0.611 0.840 0.640 CB 1.710 26 residues pruned to eliminate duplicates Z: 29 33.199 2.326 0.862 0.554 0.893 0.536 CB 1.538 29 residues pruned to eliminate duplicates Z: 14 16.592 2.297 0.623 0.422 0.846 0.615 CB 1.582 13 residues pruned to eliminate duplicates Z: 6 5.024 1.513 0.728 0.472 0.800 0.800 CA 1.105 Z: 8 9.998 1.695 0.557 0.830 0.857 0.143 CB 1.257 8 residues pruned to eliminate duplicates Z: 61 45.143 2.283 0.856 0.492 0.917 0.633 CB 1.512 61 residues pruned to eliminate duplicates Z: 50 38.923 2.253 0.858 0.481 0.918 0.673 CB 1.474 50 residues pruned to eliminate duplicates Z: 35 23.185 2.206 0.607 0.398 0.912 0.500 CB 1.370 35 residues pruned to eliminate duplicates Z: 15 21.087 2.163 0.798 0.437 1.000 0.857 CB 1.547 15 residues pruned to eliminate duplicates Z: 33 46.036 2.364 1.033 0.644 0.938 0.625 CB 1.579 31 residues pruned to eliminate duplicates Z: 15 28.329 2.349 0.778 0.878 0.857 0.643 CB 1.535 15 residues pruned to eliminate duplicates Z: 29 49.756 2.504 1.037 0.680 0.893 0.536 CB 1.750 29 residues pruned to eliminate duplicates Z: 29 52.744 2.482 1.085 0.685 0.964 0.679 CB 1.685 29 residues pruned to eliminate duplicates Z: 28 58.250 2.584 1.247 0.700 0.926 0.593 CB 1.739 31 residues pruned to eliminate duplicates Z: 16 32.691 2.247 1.002 0.897 0.933 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 28 55.524 2.549 1.233 0.669 0.926 0.630 CB 1.734 28 residues pruned to eliminate duplicates Z: 29 50.717 2.496 1.338 0.635 0.893 0.571 CB 1.620 27 residues pruned to eliminate duplicates Z: 16 36.559 2.293 1.108 0.904 1.000 0.467 CB 1.391 18 residues pruned to eliminate duplicates Z: 16 40.362 2.478 1.245 0.821 0.933 0.467 CB 1.519 16 residues pruned to eliminate duplicates Z: 15 39.809 2.392 1.158 0.940 1.000 0.714 CB 1.431 15 residues pruned to eliminate duplicates Z: 30 52.158 2.482 1.302 0.641 0.931 0.690 CB 1.596 29 residues pruned to eliminate duplicates Z: 20 32.064 2.433 0.758 0.785 0.895 0.474 CB 1.496 20 residues pruned to eliminate duplicates Z: 35 49.584 2.355 1.181 0.597 0.912 0.618 CB 1.655 35 residues pruned to eliminate duplicates Z: 30 54.341 2.484 1.291 0.648 0.897 0.586 CB 1.723 30 residues pruned to eliminate duplicates Z: 29 58.549 2.504 1.302 0.676 0.964 0.536 CB 1.694 32 residues pruned to eliminate duplicates Z: 8 17.312 2.376 0.922 0.539 1.000 0.857 CA 1.379 8 residues pruned to eliminate duplicates Z: 29 51.959 2.499 1.217 0.674 0.893 0.714 CB 1.691 29 residues pruned to eliminate duplicates Z: 30 60.249 2.455 1.339 0.696 1.000 0.724 CB 1.628 30 residues pruned to eliminate duplicates Z: 8 5.076 1.709 0.889 0.206 0.714 0.286 CB 1.177 8 residues pruned to eliminate duplicates Z: 30 46.684 2.437 1.121 0.653 0.897 0.586 CB 1.622 30 residues pruned to eliminate duplicates Z: 28 56.089 2.558 1.194 0.677 0.963 0.630 CB 1.696 28 residues pruned to eliminate duplicates Z: 29 50.502 2.495 1.174 0.649 0.929 0.643 CB 1.650 29 residues pruned to eliminate duplicates Z: 27 56.413 2.528 1.282 0.687 0.962 0.538 CB 1.680 27 residues pruned to eliminate duplicates Z: 11 6.711 1.947 0.758 0.448 0.700 0.400 CB 0.934 3 residues pruned to eliminate duplicates Z: 14 11.533 1.801 0.270 0.697 1.000 0.846 CB 1.169 14 residues pruned to eliminate duplicates Z: 132 71.155 2.255 0.831 0.551 0.916 0.618 CB 1.564 132 residues pruned to eliminate duplicates Z: 40 32.725 2.206 0.682 0.536 0.923 0.667 CB 1.477 40 residues pruned to eliminate duplicates Z: 85 44.209 2.135 0.654 0.530 0.929 0.619 CB 1.428 85 residues pruned to eliminate duplicates Z: 39 24.274 2.071 0.547 0.532 0.842 0.526 CB 1.416 39 residues pruned to eliminate duplicates Z: 16 10.927 1.879 0.368 0.478 0.933 0.667 CB 1.203 16 residues pruned to eliminate duplicates Z: 52 31.002 2.038 0.597 0.564 0.961 0.725 CB 1.305 52 residues pruned to eliminate duplicates Z: 48 36.879 2.196 0.738 0.545 0.936 0.596 CB 1.440 48 residues pruned to eliminate duplicates Z: 16 10.560 1.838 0.186 0.653 1.000 0.733 CB 1.086 16 residues pruned to eliminate duplicates Z: 52 31.576 2.034 0.667 0.569 0.961 0.569 CB 1.270 52 residues pruned to eliminate duplicates Z: 13 10.641 1.768 0.438 0.489 0.917 0.667 CB 1.332 Z: 8 6.571 1.712 0.357 0.307 0.857 0.286 CB 1.546 8 residues pruned to eliminate duplicates Z: 11 11.660 1.803 0.370 0.479 1.000 0.600 CB 1.525 13 residues pruned to eliminate duplicates Z: 6 8.969 1.701 0.522 0.616 1.000 0.400 CB 1.388 6 residues pruned to eliminate duplicates Z: 6 7.949 1.722 0.392 0.558 1.000 0.600 CA 1.401 6 residues pruned to eliminate duplicates Z: 7 5.623 1.682 0.503 0.296 0.833 0.333 O 1.369 7 residues pruned to eliminate duplicates Z: 12 7.919 1.814 0.455 0.429 0.818 0.545 CB 1.191 12 residues pruned to eliminate duplicates Z: 112 59.349 2.268 0.871 0.475 0.874 0.613 CB 1.557 112 residues pruned to eliminate duplicates Z: 84 54.148 2.261 0.824 0.489 0.928 0.699 CB 1.571 84 residues pruned to eliminate duplicates Z: 117 58.419 2.217 0.886 0.475 0.905 0.621 CB 1.471 117 residues pruned to eliminate duplicates Z: 45 36.507 2.154 0.876 0.471 0.909 0.614 CB 1.542 56 residues pruned to eliminate duplicates Z: 30 40.842 2.290 1.152 0.495 0.897 0.724 CB 1.725 30 residues pruned to eliminate duplicates Z: 100 64.685 2.343 0.972 0.493 0.879 0.626 CB 1.613 100 residues pruned to eliminate duplicates Z: 83 55.937 2.257 0.875 0.482 0.927 0.585 CB 1.603 83 residues pruned to eliminate duplicates Z: 117 60.100 2.254 0.883 0.477 0.888 0.603 CB 1.516 117 residues pruned to eliminate duplicates Z: 30 38.949 2.293 1.120 0.518 0.862 0.552 CB 1.696 30 residues pruned to eliminate duplicates Z: 102 63.887 2.312 0.984 0.485 0.891 0.574 CB 1.580 102 residues pruned to eliminate duplicates Z: 25 36.545 2.368 0.989 0.496 0.833 0.542 CA 1.908 25 residues pruned to eliminate duplicates Z: 69 56.797 2.290 0.901 0.522 0.956 0.647 CB 1.620 69 residues pruned to eliminate duplicates Z: 71 58.886 2.327 0.973 0.510 0.914 0.629 CB 1.659 71 residues pruned to eliminate duplicates Z: 84 48.028 2.224 0.838 0.466 0.880 0.518 CB 1.519 84 residues pruned to eliminate duplicates Z: 25 41.018 2.312 1.092 0.587 0.917 0.583 CB 1.738 25 residues pruned to eliminate duplicates Z: 72 53.280 2.293 0.883 0.486 0.930 0.563 CB 1.597 72 residues pruned to eliminate duplicates Z: 44 37.857 2.121 0.904 0.473 0.907 0.605 CB 1.620 44 residues pruned to eliminate duplicates Z: 113 65.822 2.289 0.839 0.495 0.929 0.643 CB 1.600 113 residues pruned to eliminate duplicates Z: 96 65.473 2.324 0.969 0.489 0.916 0.568 CB 1.622 96 residues pruned to eliminate duplicates Z: 24 38.379 2.360 1.080 0.528 0.870 0.696 CA 1.823 24 residues pruned to eliminate duplicates Z: 114 62.929 2.272 0.912 0.485 0.894 0.602 CB 1.547 114 residues pruned to eliminate duplicates Z: 72 52.590 2.301 0.962 0.463 0.901 0.563 CB 1.592 72 residues pruned to eliminate duplicates Z: 43 41.559 2.147 0.948 0.492 0.952 0.643 CB 1.624 43 residues pruned to eliminate duplicates Z: 66 58.796 2.344 0.950 0.530 0.923 0.631 CB 1.678 66 residues pruned to eliminate duplicates Z: 66 55.510 2.353 0.878 0.522 0.923 0.600 CB 1.651 66 residues pruned to eliminate duplicates Z: 89 53.204 2.213 0.939 0.465 0.898 0.614 CB 1.524 89 residues pruned to eliminate duplicates Z: 127 64.775 2.271 0.902 0.479 0.881 0.627 CB 1.548 127 residues pruned to eliminate duplicates Z: 43 35.936 2.112 0.849 0.466 0.905 0.619 CB 1.625 43 residues pruned to eliminate duplicates Z: 47 33.698 2.076 0.804 0.467 0.870 0.565 CB 1.578 47 residues pruned to eliminate duplicates Z: 80 48.798 2.256 0.841 0.447 0.886 0.570 CB 1.575 80 residues pruned to eliminate duplicates Z: 90 67.925 2.347 0.985 0.518 0.933 0.618 CB 1.629 90 residues pruned to eliminate duplicates Z: 94 68.791 2.391 0.952 0.522 0.925 0.581 CB 1.617 94 residues pruned to eliminate duplicates Z: 75 48.240 2.303 0.883 0.486 0.851 0.635 CB 1.541 75 residues pruned to eliminate duplicates Z: 108 58.424 2.305 0.826 0.493 0.897 0.533 CB 1.507 108 residues pruned to eliminate duplicates Z: 86 52.031 2.209 0.858 0.478 0.918 0.635 CB 1.532 86 residues pruned to eliminate duplicates Z: 44 34.852 2.263 0.721 0.520 0.907 0.628 CB 1.475 44 residues pruned to eliminate duplicates Z: 85 50.817 2.217 0.821 0.493 0.893 0.583 CB 1.548 85 residues pruned to eliminate duplicates Z: 85 53.840 2.228 0.829 0.488 0.929 0.619 CB 1.572 85 residues pruned to eliminate duplicates Z: 73 51.885 2.292 0.889 0.485 0.889 0.611 CB 1.613 73 residues pruned to eliminate duplicates Z: 100 62.143 2.331 0.917 0.498 0.889 0.576 CB 1.576 100 residues pruned to eliminate duplicates Z: 96 62.825 2.362 0.849 0.513 0.895 0.589 CB 1.629 96 residues pruned to eliminate duplicates Z: 66 52.180 2.316 0.850 0.523 0.923 0.646 CB 1.599 66 residues pruned to eliminate duplicates Z: 76 50.456 2.257 0.832 0.462 0.907 0.573 CB 1.615 76 residues pruned to eliminate duplicates Z: 71 55.424 2.311 0.755 0.541 0.957 0.686 CB 1.639 71 residues pruned to eliminate duplicates Z: 69 45.964 2.250 0.873 0.435 0.882 0.529 CB 1.603 69 residues pruned to eliminate duplicates Z: 45 34.979 2.216 0.724 0.502 0.955 0.500 CB 1.443 45 residues pruned to eliminate duplicates Z: 71 51.959 2.269 0.817 0.515 0.943 0.629 CB 1.575 71 residues pruned to eliminate duplicates Z: 85 50.505 2.183 0.852 0.473 0.929 0.583 CB 1.509 85 residues pruned to eliminate duplicates Z: 36 21.163 2.127 0.516 0.432 0.857 0.571 CB 1.388 36 residues pruned to eliminate duplicates Z: 49 33.777 2.271 0.698 0.475 0.896 0.646 CB 1.447 49 residues pruned to eliminate duplicates Z: 112 62.352 2.261 0.919 0.496 0.892 0.568 CB 1.535 112 residues pruned to eliminate duplicates Z: 45 36.756 2.277 0.839 0.502 0.909 0.614 CB 1.453 45 residues pruned to eliminate duplicates Z: 51 31.032 2.212 0.677 0.470 0.860 0.660 CB 1.418 51 residues pruned to eliminate duplicates Z: 44 36.415 2.306 0.662 0.515 0.953 0.674 CB 1.497 44 residues pruned to eliminate duplicates Z: 87 44.827 2.176 0.822 0.436 0.895 0.581 CB 1.455 87 residues pruned to eliminate duplicates Z: 66 51.997 2.300 0.891 0.516 0.923 0.569 CB 1.582 66 residues pruned to eliminate duplicates Z: 77 53.107 2.307 0.942 0.500 0.895 0.526 CB 1.519 77 residues pruned to eliminate duplicates Z: 66 52.779 2.280 0.894 0.536 0.954 0.585 CB 1.533 66 residues pruned to eliminate duplicates Z: 74 51.525 2.333 0.892 0.488 0.904 0.534 CB 1.530 74 residues pruned to eliminate duplicates Z: 33 21.245 2.153 0.638 0.449 0.812 0.562 CB 1.381 33 residues pruned to eliminate duplicates Z: 48 38.468 2.296 0.913 0.476 0.894 0.596 CB 1.465 48 residues pruned to eliminate duplicates Z: 17 16.854 2.078 0.673 0.402 0.938 0.500 CB 1.434 17 residues pruned to eliminate duplicates Z: 17 17.349 2.142 0.669 0.410 0.938 0.625 CB 1.422 17 residues pruned to eliminate duplicates Z: 57 57.255 2.376 0.999 0.517 0.929 0.589 CB 1.706 57 residues pruned to eliminate duplicates Z: 36 34.726 2.353 0.928 0.474 0.857 0.457 CB 1.550 36 residues pruned to eliminate duplicates Z: 102 64.896 2.296 0.953 0.498 0.921 0.614 CB 1.568 102 residues pruned to eliminate duplicates Z: 36 35.116 2.352 0.917 0.478 0.829 0.600 CB 1.623 36 residues pruned to eliminate duplicates Z: 34 35.889 2.272 0.927 0.470 0.879 0.424 CB 1.674 34 residues pruned to eliminate duplicates Z: 48 41.975 2.324 0.930 0.518 0.851 0.617 CB 1.574 48 residues pruned to eliminate duplicates Z: 41 40.291 2.361 0.895 0.523 0.900 0.575 CB 1.546 41 residues pruned to eliminate duplicates Z: 30 37.409 2.324 1.076 0.548 0.862 0.586 CB 1.593 30 residues pruned to eliminate duplicates Z: 30 35.907 2.304 1.045 0.525 0.931 0.552 CB 1.483 30 residues pruned to eliminate duplicates Z: 29 35.128 2.315 1.026 0.588 0.857 0.643 CB 1.518 29 residues pruned to eliminate duplicates Z: 102 66.169 2.279 1.000 0.513 0.901 0.564 CB 1.583 102 residues pruned to eliminate duplicates Z: 41 47.058 2.341 1.027 0.541 0.950 0.500 CB 1.586 41 residues pruned to eliminate duplicates Z: 26 38.125 2.430 0.959 0.594 0.920 0.440 CB 1.592 26 residues pruned to eliminate duplicates Z: 30 31.235 2.249 0.928 0.506 0.862 0.414 CB 1.543 30 residues pruned to eliminate duplicates Z: 99 59.262 2.234 0.929 0.526 0.898 0.531 CB 1.507 99 residues pruned to eliminate duplicates Z: 34 22.931 2.103 0.862 0.410 0.818 0.455 CB 1.370 34 residues pruned to eliminate duplicates Z: 26 41.939 2.446 1.162 0.594 0.880 0.400 CB 1.647 26 residues pruned to eliminate duplicates Z: 26 38.933 2.428 1.076 0.617 0.880 0.400 CB 1.572 26 residues pruned to eliminate duplicates Z: 38 35.503 2.265 0.877 0.475 0.892 0.541 CB 1.579 38 residues pruned to eliminate duplicates Z: 35 36.632 2.316 0.981 0.504 0.853 0.559 CB 1.599 35 residues pruned to eliminate duplicates Z: 34 38.417 2.310 0.993 0.520 0.909 0.515 CB 1.567 34 residues pruned to eliminate duplicates Z: 27 39.879 2.440 1.017 0.568 0.923 0.615 CB 1.613 27 residues pruned to eliminate duplicates Z: 34 43.234 2.355 1.120 0.509 0.879 0.515 CB 1.700 34 residues pruned to eliminate duplicates Z: 83 59.889 2.324 0.946 0.497 0.902 0.598 CB 1.626 83 residues pruned to eliminate duplicates Z: 30 36.513 2.314 1.059 0.534 0.897 0.586 CB 1.536 30 residues pruned to eliminate duplicates Z: 33 43.624 2.416 0.979 0.531 0.906 0.656 CB 1.726 33 residues pruned to eliminate duplicates Z: 41 41.038 2.339 1.041 0.540 0.875 0.525 CB 1.494 41 residues pruned to eliminate duplicates Z: 50 39.599 2.269 0.886 0.501 0.898 0.571 CB 1.471 50 residues pruned to eliminate duplicates Z: 42 37.528 2.315 0.890 0.543 0.854 0.537 CB 1.504 43 residues pruned to eliminate duplicates Z: 7 14.274 2.110 1.590 0.395 0.833 0.333 CB 1.430 7 residues pruned to eliminate duplicates Z: 36 34.818 2.117 1.023 0.597 0.971 0.686 CB 1.290 36 residues pruned to eliminate duplicates Z: 34 31.763 2.145 0.972 0.597 0.939 0.606 CB 1.268 34 residues pruned to eliminate duplicates Z: 35 33.325 2.137 0.950 0.605 0.971 0.647 CB 1.278 35 residues pruned to eliminate duplicates Z: 6 9.846 2.053 1.284 0.251 0.800 0.400 CA 1.564 6 residues pruned to eliminate duplicates Z: 51 29.510 2.032 0.671 0.514 0.940 0.580 CB 1.290 51 residues pruned to eliminate duplicates Z: 12 14.079 2.003 0.914 0.368 1.000 0.727 CB 1.275 12 residues pruned to eliminate duplicates Z: 6 3.622 1.467 0.542 0.305 1.000 0.800 CA 0.890 6 residues pruned to eliminate duplicates Z: 51 28.252 2.013 0.673 0.526 0.920 0.680 CB 1.256 51 residues pruned to eliminate duplicates Z: 19 29.512 2.244 1.238 0.529 0.944 0.722 CB 1.425 19 residues pruned to eliminate duplicates 374 residues left after pruning, divided into chains as follows: A: 30 B: 156 C: 20 D: 168 CC for partial structure against native data = 39.28 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.580, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.659, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.780, Connect. = 0.808 for dens.mod. cycle 3 = 0.300, Contrast = 0.787, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.796, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.798, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.802, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.803, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.804, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.803, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2098 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 508 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 31.263 2.166 1.034 0.884 0.786 0.714 CB 1.745 B: 15 24.626 2.325 0.507 0.839 0.857 0.643 CB 1.637 C: 13 23.284 2.104 0.647 0.868 0.917 0.833 CB 1.547 12 residues pruned to eliminate duplicates D: 14 28.658 2.289 0.514 0.892 0.923 0.846 CB 1.786 14 residues pruned to eliminate duplicates E: 15 29.117 2.340 0.597 0.831 0.929 0.714 CB 1.685 16 residues pruned to eliminate duplicates F: 16 28.774 2.217 0.649 0.827 1.000 0.733 CA 1.532 15 residues pruned to eliminate duplicates G: 67 65.941 2.527 0.943 0.528 0.909 0.545 CB 1.769 31 residues pruned to eliminate duplicates H: 13 34.551 2.331 0.737 0.909 1.000 0.917 CB 1.748 13 residues pruned to eliminate duplicates I: 28 48.437 2.487 1.102 0.654 0.926 0.704 CB 1.668 J: 16 23.232 2.008 0.506 0.868 1.000 0.867 CA 1.450 K: 20 17.648 1.950 0.999 0.467 0.789 0.579 CB 1.360 48 residues pruned to eliminate duplicates L: 9 28.609 2.234 0.746 0.866 1.000 0.625 CA 1.898 9 residues pruned to eliminate duplicates M: 14 34.986 2.435 0.705 0.854 0.923 0.769 CB 1.870 14 residues pruned to eliminate duplicates N: 13 25.123 2.285 0.788 0.769 0.917 0.667 CA 1.526 O: 11 31.249 2.384 0.799 0.903 0.900 0.900 CB 1.825 11 residues pruned to eliminate duplicates P: 12 36.908 2.330 0.908 0.901 1.000 0.545 CB 1.787 Q: 28 44.995 2.451 0.980 0.651 0.926 0.704 CB 1.674 R: 14 47.158 2.298 1.171 0.909 1.000 1.000 CA 1.862 12 residues pruned to eliminate duplicates S: 36 43.215 2.524 0.876 0.440 0.914 0.457 CB 1.795 36 residues pruned to eliminate duplicates T: 19 28.446 2.118 0.720 0.807 1.000 0.500 CB 1.409 U: 13 27.784 2.359 0.349 0.903 1.000 0.583 CA 1.797 V: 41 29.739 2.155 0.752 0.495 0.875 0.650 CB 1.431 W: 7 21.175 2.189 0.725 0.757 1.000 0.667 CA 1.821 X: 19 35.828 2.352 0.948 0.783 0.944 0.444 CB 1.521 18 residues pruned to eliminate duplicates Y: 14 31.757 2.274 0.807 0.847 1.000 0.769 CA 1.592 13 residues pruned to eliminate duplicates Z: 16 30.591 2.154 0.886 0.828 1.000 0.600 CB 1.464 16 residues pruned to eliminate duplicates Z: 39 66.199 2.589 1.177 0.549 0.921 0.658 CB 1.971 39 residues pruned to eliminate duplicates Z: 16 37.097 2.102 1.058 0.880 1.000 0.867 CB 1.604 16 residues pruned to eliminate duplicates Z: 9 27.778 2.237 0.695 0.854 1.000 0.875 CA 1.912 9 residues pruned to eliminate duplicates Z: 9 21.429 2.086 0.697 0.917 1.000 0.875 CB 1.510 9 residues pruned to eliminate duplicates Z: 26 51.110 2.531 1.208 0.715 0.920 0.520 CB 1.637 28 residues pruned to eliminate duplicates Z: 17 29.949 2.182 0.607 0.815 0.938 0.688 CB 1.731 Z: 17 23.916 2.224 0.287 0.840 1.000 0.812 CB 1.559 17 residues pruned to eliminate duplicates Z: 14 36.285 2.175 0.998 0.850 1.000 0.769 CB 1.716 14 residues pruned to eliminate duplicates Z: 13 37.513 2.435 1.023 0.907 0.917 0.750 CB 1.705 13 residues pruned to eliminate duplicates Z: 50 31.690 2.134 0.669 0.500 0.898 0.673 CB 1.415 41 residues pruned to eliminate duplicates Z: 18 24.219 2.088 0.303 0.841 1.000 0.647 CB 1.610 18 residues pruned to eliminate duplicates Z: 14 36.842 2.305 0.866 0.885 0.923 0.846 CA 1.858 14 residues pruned to eliminate duplicates Z: 15 26.221 2.310 0.484 0.840 0.929 0.857 CA 1.642 15 residues pruned to eliminate duplicates Z: 7 4.983 1.768 0.164 0.813 0.667 0.500 CA 1.129 7 residues pruned to eliminate duplicates Z: 16 30.466 2.246 0.683 0.820 0.933 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 41 28.993 2.143 0.638 0.515 0.950 0.650 CB 1.354 41 residues pruned to eliminate duplicates Z: 16 23.320 2.053 0.499 0.848 0.933 0.800 CB 1.555 16 residues pruned to eliminate duplicates Z: 20 23.322 2.049 0.433 0.778 0.947 0.737 CB 1.505 17 residues pruned to eliminate duplicates Z: 14 30.214 2.343 0.627 0.891 0.923 0.692 CA 1.712 14 residues pruned to eliminate duplicates Z: 38 27.112 1.991 0.678 0.568 0.919 0.676 CB 1.360 Z: 15 22.343 2.234 0.310 0.863 0.929 0.857 CB 1.612 15 residues pruned to eliminate duplicates Z: 20 31.288 2.297 1.254 0.480 0.895 0.684 CB 1.581 20 residues pruned to eliminate duplicates Z: 12 28.875 2.369 0.508 0.936 1.000 0.909 CB 1.697 13 residues pruned to eliminate duplicates Z: 51 41.171 2.313 0.845 0.433 0.920 0.520 CB 1.589 30 residues pruned to eliminate duplicates Z: 61 61.382 2.505 0.911 0.560 0.883 0.633 CB 1.767 61 residues pruned to eliminate duplicates Z: 14 32.566 2.415 0.762 0.834 0.923 0.692 CB 1.725 14 residues pruned to eliminate duplicates Z: 17 32.778 2.170 0.811 0.858 0.875 0.688 CB 1.755 17 residues pruned to eliminate duplicates Z: 13 29.867 2.175 1.055 0.859 1.000 0.833 CB 1.419 16 residues pruned to eliminate duplicates Z: 18 25.376 2.077 0.515 0.801 0.941 0.529 CB 1.598 18 residues pruned to eliminate duplicates Z: 13 13.438 1.795 0.511 0.795 0.750 0.583 CB 1.473 13 residues pruned to eliminate duplicates Z: 11 32.735 2.520 0.704 0.839 0.900 0.800 CA 1.999 11 residues pruned to eliminate duplicates Z: 10 20.275 2.161 0.478 0.851 0.889 0.667 CB 1.762 10 residues pruned to eliminate duplicates Z: 10 18.321 2.220 0.325 0.837 0.889 0.778 CB 1.747 10 residues pruned to eliminate duplicates Z: 6 7.098 1.856 0.458 0.759 1.000 0.600 CA 0.931 Z: 113 80.733 2.482 0.917 0.488 0.920 0.661 CB 1.765 107 residues pruned to eliminate duplicates Z: 12 15.455 1.919 0.364 0.767 0.909 0.727 CB 1.545 12 residues pruned to eliminate duplicates Z: 8 12.357 2.162 0.498 0.448 0.857 0.571 CB 1.776 Z: 73 39.700 2.231 0.575 0.480 0.861 0.583 CB 1.578 44 residues pruned to eliminate duplicates Z: 13 34.277 2.430 0.565 0.920 1.000 0.917 CB 1.831 13 residues pruned to eliminate duplicates Z: 13 47.167 2.436 1.138 0.916 1.000 0.833 CB 1.846 13 residues pruned to eliminate duplicates Z: 13 15.454 1.798 0.362 0.853 0.917 0.500 CB 1.468 13 residues pruned to eliminate duplicates Z: 15 33.947 2.189 1.016 0.889 0.929 0.714 CA 1.594 15 residues pruned to eliminate duplicates Z: 14 34.382 2.214 0.806 0.892 1.000 0.923 CB 1.713 14 residues pruned to eliminate duplicates Z: 12 42.338 2.610 1.147 0.903 0.818 0.636 CB 1.984 12 residues pruned to eliminate duplicates Z: 114 71.751 2.445 0.861 0.478 0.885 0.575 CB 1.713 114 residues pruned to eliminate duplicates Z: 69 46.316 2.229 0.739 0.567 0.912 0.618 CB 1.489 60 residues pruned to eliminate duplicates Z: 8 15.579 1.909 0.510 0.800 1.000 0.571 CB 1.571 8 residues pruned to eliminate duplicates Z: 27 38.920 2.465 0.920 0.586 0.885 0.654 CB 1.678 27 residues pruned to eliminate duplicates Z: 15 33.940 2.338 0.890 0.814 0.929 0.571 CB 1.684 15 residues pruned to eliminate duplicates Z: 15 26.291 2.150 0.657 0.807 0.929 0.643 CB 1.625 15 residues pruned to eliminate duplicates Z: 12 30.233 2.247 0.843 0.857 1.000 0.818 CA 1.622 12 residues pruned to eliminate duplicates Z: 43 39.842 2.305 0.789 0.515 0.905 0.571 CB 1.623 43 residues pruned to eliminate duplicates Z: 15 20.203 2.030 0.702 0.789 0.786 0.643 CA 1.543 15 residues pruned to eliminate duplicates Z: 10 22.164 2.202 0.575 0.868 0.889 0.667 CB 1.752 10 residues pruned to eliminate duplicates Z: 16 30.234 2.156 0.759 0.857 0.933 0.800 CB 1.625 18 residues pruned to eliminate duplicates Z: 17 27.406 2.119 0.629 0.859 0.875 0.688 CA 1.670 17 residues pruned to eliminate duplicates Z: 75 62.273 2.523 0.909 0.479 0.865 0.568 CB 1.776 75 residues pruned to eliminate duplicates Z: 13 16.119 1.807 0.606 0.780 0.833 0.583 CB 1.503 13 residues pruned to eliminate duplicates Z: 13 39.641 2.251 1.044 0.906 1.000 0.750 CB 1.770 15 residues pruned to eliminate duplicates Z: 15 31.219 2.220 1.075 0.877 0.929 0.714 CB 1.416 15 residues pruned to eliminate duplicates Z: 13 32.520 2.159 1.234 0.808 0.917 0.333 CB 1.623 13 residues pruned to eliminate duplicates Z: 12 22.599 2.202 0.472 0.845 0.909 0.727 CB 1.720 12 residues pruned to eliminate duplicates Z: 13 36.360 2.247 1.137 0.911 1.000 0.917 CA 1.549 13 residues pruned to eliminate duplicates Z: 67 69.562 2.563 1.041 0.495 0.879 0.591 CB 1.870 67 residues pruned to eliminate duplicates Z: 15 27.139 2.128 0.768 0.806 0.929 0.714 CB 1.589 15 residues pruned to eliminate duplicates Z: 8 4.941 2.224 0.360 0.173 0.571 0.429 CB 1.606 8 residues pruned to eliminate duplicates Z: 51 32.347 2.115 0.554 0.584 0.900 0.660 CB 1.427 50 residues pruned to eliminate duplicates Z: 14 24.014 2.194 0.731 0.851 0.923 0.846 CB 1.406 14 residues pruned to eliminate duplicates Z: 12 17.824 1.875 0.667 0.839 0.818 0.545 CB 1.570 12 residues pruned to eliminate duplicates Z: 17 28.907 2.188 0.541 0.850 0.938 0.750 CB 1.693 17 residues pruned to eliminate duplicates Z: 16 21.251 2.041 0.554 0.775 0.933 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 14 36.759 2.296 0.760 0.863 1.000 0.769 CA 1.851 14 residues pruned to eliminate duplicates Z: 18 26.094 2.203 0.471 0.804 1.000 0.824 CB 1.497 18 residues pruned to eliminate duplicates Z: 145 67.516 2.263 0.758 0.494 0.910 0.625 CB 1.565 148 residues pruned to eliminate duplicates Z: 16 23.186 2.159 0.379 0.792 1.000 0.733 CB 1.556 16 residues pruned to eliminate duplicates Z: 18 20.335 2.104 0.374 0.767 0.882 0.647 CA 1.526 18 residues pruned to eliminate duplicates Z: 14 10.319 1.852 0.467 0.347 0.846 0.615 CB 1.471 10 residues pruned to eliminate duplicates Z: 6 8.367 1.839 0.436 0.740 0.800 0.600 CB 1.428 Z: 7 14.002 2.026 0.610 0.695 1.000 0.500 CA 1.467 7 residues pruned to eliminate duplicates Z: 12 10.379 1.917 0.632 0.353 0.909 0.364 CB 1.290 14 residues pruned to eliminate duplicates Z: 16 19.278 2.097 0.350 0.854 0.867 0.867 CB 1.498 16 residues pruned to eliminate duplicates Z: 68 67.187 2.500 1.014 0.502 0.910 0.537 CB 1.787 68 residues pruned to eliminate duplicates Z: 14 18.375 2.041 0.481 0.838 0.846 0.846 CB 1.490 14 residues pruned to eliminate duplicates Z: 16 18.090 1.976 0.524 0.824 0.800 0.733 CA 1.464 16 residues pruned to eliminate duplicates Z: 14 28.820 2.293 0.733 0.722 1.000 0.769 CA 1.646 14 residues pruned to eliminate duplicates Z: 14 26.099 2.320 0.793 0.901 0.923 0.462 CB 1.346 14 residues pruned to eliminate duplicates Z: 13 16.616 2.235 0.936 0.426 0.750 0.500 CB 1.596 13 residues pruned to eliminate duplicates Z: 14 21.890 2.005 0.781 0.807 0.769 0.615 CA 1.691 14 residues pruned to eliminate duplicates Z: 73 62.691 2.493 0.970 0.485 0.903 0.611 CB 1.693 73 residues pruned to eliminate duplicates Z: 18 27.800 2.180 0.467 0.822 0.941 0.706 CB 1.694 18 residues pruned to eliminate duplicates Z: 25 26.356 2.208 0.894 0.457 0.875 0.542 CB 1.536 25 residues pruned to eliminate duplicates Z: 69 67.453 2.532 0.966 0.489 0.882 0.574 CB 1.883 69 residues pruned to eliminate duplicates Z: 43 34.875 2.278 0.863 0.466 0.810 0.571 CB 1.621 43 residues pruned to eliminate duplicates Z: 8 11.099 2.111 0.606 0.528 0.857 0.714 CB 1.403 Z: 33 28.894 2.269 0.788 0.499 0.844 0.469 CB 1.495 33 residues pruned to eliminate duplicates Z: 18 31.395 2.189 0.834 0.797 1.000 0.647 CB 1.462 15 residues pruned to eliminate duplicates Z: 13 39.970 2.379 0.778 0.900 1.000 0.667 CB 1.948 13 residues pruned to eliminate duplicates Z: 15 25.845 2.368 0.512 0.793 0.929 0.786 CB 1.607 15 residues pruned to eliminate duplicates Z: 89 53.013 2.340 0.814 0.429 0.886 0.557 CB 1.617 89 residues pruned to eliminate duplicates Z: 15 17.397 2.108 0.194 0.852 0.786 0.714 CA 1.739 15 residues pruned to eliminate duplicates Z: 13 32.888 2.288 1.373 0.778 0.833 0.583 CB 1.642 13 residues pruned to eliminate duplicates Z: 15 22.325 2.139 0.587 0.861 0.929 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 16 22.102 2.164 0.510 0.769 0.933 0.733 CB 1.474 16 residues pruned to eliminate duplicates Z: 24 29.967 2.321 0.628 0.656 0.913 0.696 CB 1.567 24 residues pruned to eliminate duplicates Z: 20 24.334 2.099 0.412 0.814 0.895 0.526 CB 1.602 20 residues pruned to eliminate duplicates Z: 8 8.827 1.853 0.725 0.568 0.714 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 27 54.186 2.471 1.074 0.727 1.000 0.654 CB 1.691 27 residues pruned to eliminate duplicates Z: 33 53.768 2.576 1.028 0.467 0.938 0.656 CB 2.006 33 residues pruned to eliminate duplicates Z: 8 12.342 1.919 0.304 0.856 1.000 0.857 CB 1.374 8 residues pruned to eliminate duplicates Z: 27 46.060 2.473 1.086 0.681 0.923 0.615 CB 1.607 27 residues pruned to eliminate duplicates Z: 44 31.927 2.232 0.736 0.439 0.860 0.698 CB 1.556 44 residues pruned to eliminate duplicates Z: 11 17.316 2.008 0.385 0.825 0.900 0.600 CB 1.650 11 residues pruned to eliminate duplicates Z: 31 37.251 2.318 0.904 0.531 0.900 0.633 CB 1.661 31 residues pruned to eliminate duplicates Z: 15 37.007 2.188 1.065 0.910 1.000 0.857 CB 1.552 15 residues pruned to eliminate duplicates Z: 16 28.714 2.290 0.666 0.828 0.933 0.667 CB 1.568 16 residues pruned to eliminate duplicates Z: 20 21.574 2.144 0.570 0.790 0.895 0.579 CB 1.274 20 residues pruned to eliminate duplicates Z: 38 45.111 2.638 0.764 0.445 0.865 0.595 CB 1.950 38 residues pruned to eliminate duplicates Z: 16 28.799 1.971 0.812 0.861 0.933 0.733 CA 1.639 16 residues pruned to eliminate duplicates Z: 12 27.192 2.346 0.513 0.903 1.000 0.727 CB 1.647 12 residues pruned to eliminate duplicates Z: 15 27.330 2.155 0.721 0.815 0.929 0.643 CB 1.613 15 residues pruned to eliminate duplicates Z: 22 15.554 2.058 0.224 0.757 0.857 0.714 CB 1.250 22 residues pruned to eliminate duplicates Z: 6 11.243 2.133 0.244 0.712 1.000 1.000 CA 1.564 6 residues pruned to eliminate duplicates Z: 6 8.999 1.832 0.946 0.679 0.800 0.800 CB 1.196 8 residues pruned to eliminate duplicates Z: 16 27.039 2.159 0.791 0.935 1.000 0.667 CB 1.259 16 residues pruned to eliminate duplicates Z: 78 51.052 2.264 0.816 0.477 0.935 0.571 CB 1.549 72 residues pruned to eliminate duplicates Z: 45 34.228 2.305 0.735 0.481 0.864 0.568 CB 1.524 45 residues pruned to eliminate duplicates Z: 26 45.183 2.504 0.939 0.606 0.920 0.680 CB 1.828 26 residues pruned to eliminate duplicates Z: 6 3.255 1.845 0.408 0.791 0.400 0.400 CB 1.085 6 residues pruned to eliminate duplicates Z: 12 33.992 2.249 0.991 0.923 1.000 0.909 CB 1.608 12 residues pruned to eliminate duplicates Z: 19 23.724 2.246 0.832 0.754 0.833 0.444 CB 1.301 19 residues pruned to eliminate duplicates Z: 15 29.945 2.299 0.647 0.793 1.000 0.714 CB 1.635 15 residues pruned to eliminate duplicates Z: 17 21.335 1.983 0.643 0.894 1.000 0.812 CB 1.174 17 residues pruned to eliminate duplicates Z: 9 11.557 2.186 1.044 0.402 0.750 0.500 CB 1.352 9 residues pruned to eliminate duplicates Z: 25 19.629 2.051 0.767 0.407 0.917 0.750 CB 1.330 25 residues pruned to eliminate duplicates Z: 70 57.364 2.288 1.006 0.518 0.899 0.667 CB 1.644 72 residues pruned to eliminate duplicates Z: 10 10.224 2.092 0.832 0.581 0.778 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 44 59.385 2.563 0.948 0.528 0.930 0.674 CB 1.896 44 residues pruned to eliminate duplicates Z: 83 61.524 2.335 0.963 0.548 0.890 0.573 CB 1.589 83 residues pruned to eliminate duplicates Z: 22 21.442 2.082 0.451 0.630 0.905 0.714 CB 1.515 22 residues pruned to eliminate duplicates Z: 8 8.478 1.916 0.106 0.836 0.857 0.714 CB 1.321 8 residues pruned to eliminate duplicates Z: 12 35.207 2.299 0.827 0.928 1.000 1.000 CA 1.769 12 residues pruned to eliminate duplicates Z: 51 32.907 2.267 0.723 0.455 0.840 0.600 CB 1.486 51 residues pruned to eliminate duplicates Z: 24 20.943 2.164 0.625 0.449 0.957 0.696 CB 1.369 24 residues pruned to eliminate duplicates Z: 8 5.557 1.804 0.393 0.592 0.714 0.714 CB 1.071 8 residues pruned to eliminate duplicates Z: 91 56.190 2.317 0.840 0.470 0.922 0.578 CB 1.553 91 residues pruned to eliminate duplicates Z: 17 24.193 2.163 0.582 0.776 0.938 0.750 CB 1.478 17 residues pruned to eliminate duplicates Z: 17 28.230 2.320 1.172 0.440 0.875 0.625 CA 1.704 17 residues pruned to eliminate duplicates Z: 16 18.609 2.035 0.421 0.895 0.933 0.733 CB 1.277 16 residues pruned to eliminate duplicates Z: 97 80.583 2.546 0.921 0.511 0.896 0.500 CB 1.856 97 residues pruned to eliminate duplicates Z: 33 28.149 2.281 0.758 0.461 0.844 0.562 CB 1.530 33 residues pruned to eliminate duplicates Z: 11 16.856 1.969 0.527 0.824 0.900 0.500 CB 1.488 11 residues pruned to eliminate duplicates Z: 14 26.310 2.339 0.296 0.858 1.000 0.923 CB 1.772 14 residues pruned to eliminate duplicates Z: 11 8.387 2.212 0.057 0.497 1.000 0.600 CB 1.138 11 residues pruned to eliminate duplicates Z: 15 7.846 1.841 0.074 0.472 0.857 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 46 55.765 2.507 1.019 0.525 0.933 0.622 CB 1.718 46 residues pruned to eliminate duplicates Z: 13 21.180 2.086 0.742 0.883 0.750 0.667 CA 1.622 13 residues pruned to eliminate duplicates Z: 16 23.400 2.205 0.575 0.815 0.933 0.733 CB 1.418 16 residues pruned to eliminate duplicates Z: 9 6.665 1.972 0.225 0.361 0.750 0.625 CB 1.509 Z: 12 18.724 2.395 1.008 0.308 0.818 0.545 CA 1.775 12 residues pruned to eliminate duplicates Z: 10 22.432 2.319 0.320 0.901 1.000 0.889 CB 1.744 10 residues pruned to eliminate duplicates Z: 19 11.188 1.818 0.624 0.466 0.778 0.500 CB 1.188 8 residues pruned to eliminate duplicates Z: 18 25.260 2.217 0.336 0.834 0.941 0.765 CB 1.648 18 residues pruned to eliminate duplicates Z: 12 27.601 2.136 1.292 0.863 0.909 0.727 CB 1.372 12 residues pruned to eliminate duplicates Z: 39 45.871 2.427 0.890 0.529 0.868 0.553 CB 1.816 39 residues pruned to eliminate duplicates Z: 12 35.613 2.370 0.841 0.844 1.000 0.818 CB 1.832 12 residues pruned to eliminate duplicates Z: 9 10.407 1.492 0.669 0.905 1.000 0.750 CB 1.052 8 residues pruned to eliminate duplicates Z: 12 34.279 2.374 0.845 0.943 1.000 0.909 CB 1.635 12 residues pruned to eliminate duplicates Z: 9 9.209 1.844 0.663 0.432 1.000 0.500 CB 1.139 8 residues pruned to eliminate duplicates Z: 11 18.522 1.988 0.930 0.762 0.800 0.500 CB 1.512 11 residues pruned to eliminate duplicates Z: 10 15.493 2.254 0.670 0.447 1.000 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 25 21.644 2.220 0.605 0.522 0.833 0.583 CB 1.456 25 residues pruned to eliminate duplicates Z: 13 44.312 2.427 0.965 0.888 1.000 0.833 CA 1.933 13 residues pruned to eliminate duplicates Z: 27 27.627 1.942 0.709 0.659 1.000 0.731 CB 1.409 30 residues pruned to eliminate duplicates Z: 8 10.699 1.941 0.346 0.849 0.857 0.714 CB 1.339 8 residues pruned to eliminate duplicates Z: 9 9.997 1.500 0.670 0.867 1.000 0.625 CB 1.032 6 residues pruned to eliminate duplicates Z: 12 17.917 2.126 0.532 0.820 0.818 0.545 CA 1.536 12 residues pruned to eliminate duplicates Z: 27 45.023 2.442 0.981 0.553 1.000 0.654 CB 1.733 27 residues pruned to eliminate duplicates Z: 11 27.361 2.176 0.922 0.772 1.000 0.800 CA 1.626 11 residues pruned to eliminate duplicates Z: 9 6.805 1.514 0.083 0.923 1.000 1.000 CB 1.031 9 residues pruned to eliminate duplicates Z: 33 37.374 2.288 0.842 0.534 0.969 0.688 CB 1.565 33 residues pruned to eliminate duplicates Z: 15 28.640 2.276 0.913 0.849 0.857 0.500 CB 1.520 15 residues pruned to eliminate duplicates Z: 16 11.630 1.894 0.602 0.502 0.867 0.667 CB 1.140 16 residues pruned to eliminate duplicates Z: 15 20.074 2.133 0.868 0.920 0.929 0.500 CB 1.021 15 residues pruned to eliminate duplicates Z: 68 44.564 2.246 0.722 0.513 0.866 0.567 CB 1.605 68 residues pruned to eliminate duplicates Z: 14 26.169 2.328 0.590 0.807 1.000 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 26 26.526 2.308 0.537 0.616 0.880 0.720 CB 1.523 26 residues pruned to eliminate duplicates Z: 8 3.513 1.634 0.272 0.370 0.714 0.429 N 1.028 Z: 19 17.008 2.017 0.802 0.561 0.722 0.667 CB 1.439 19 residues pruned to eliminate duplicates Z: 7 3.359 1.348 0.610 0.506 0.667 0.500 CB 0.942 Z: 19 14.980 2.027 0.699 0.474 0.833 0.778 CB 1.262 19 residues pruned to eliminate duplicates Z: 22 17.194 1.780 0.443 0.633 0.952 0.714 CB 1.354 9 residues pruned to eliminate duplicates Z: 11 10.622 1.687 0.130 0.859 0.900 0.800 CB 1.440 11 residues pruned to eliminate duplicates Z: 9 8.089 1.515 0.333 0.911 1.000 1.000 CB 1.003 9 residues pruned to eliminate duplicates Z: 22 44.245 2.515 1.086 0.614 0.952 0.667 CB 1.734 22 residues pruned to eliminate duplicates Z: 92 74.230 2.499 0.923 0.499 0.912 0.615 CB 1.778 92 residues pruned to eliminate duplicates Z: 14 26.671 2.057 0.812 0.825 1.000 0.846 CA 1.498 14 residues pruned to eliminate duplicates Z: 62 54.173 2.432 1.025 0.415 0.852 0.623 CB 1.806 62 residues pruned to eliminate duplicates Z: 9 8.809 1.478 0.449 0.890 1.000 0.750 CB 1.046 9 residues pruned to eliminate duplicates Z: 12 11.611 1.617 0.381 0.770 1.000 0.727 CB 1.235 12 residues pruned to eliminate duplicates Z: 11 13.518 1.769 0.391 0.833 0.900 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 7 8.893 1.678 0.075 0.872 1.000 0.833 CA 1.467 7 residues pruned to eliminate duplicates Z: 18 31.587 2.111 1.175 0.635 1.000 0.765 CB 1.470 18 residues pruned to eliminate duplicates Z: 12 6.547 2.038 0.365 0.485 0.727 0.545 CB 0.990 12 residues pruned to eliminate duplicates Z: 20 19.786 2.165 0.401 0.801 0.895 0.526 CB 1.285 20 residues pruned to eliminate duplicates Z: 12 33.052 2.326 0.873 0.827 1.000 0.727 CA 1.724 12 residues pruned to eliminate duplicates Z: 14 20.365 1.990 0.598 0.908 0.923 0.308 CB 1.367 14 residues pruned to eliminate duplicates Z: 15 33.424 2.226 0.939 0.936 1.000 0.571 CB 1.441 15 residues pruned to eliminate duplicates Z: 19 25.563 2.199 0.461 0.748 0.944 0.778 CB 1.592 19 residues pruned to eliminate duplicates Z: 16 21.621 2.063 0.604 0.923 1.000 0.867 CB 1.185 16 residues pruned to eliminate duplicates Z: 6 9.389 1.931 0.261 0.874 1.000 1.000 CB 1.255 6 residues pruned to eliminate duplicates Z: 11 19.834 1.876 0.731 0.852 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 10 16.584 2.028 0.447 0.854 1.000 0.556 CB 1.391 10 residues pruned to eliminate duplicates Z: 14 28.856 2.369 0.544 0.718 1.000 0.692 CB 1.795 14 residues pruned to eliminate duplicates Z: 21 20.421 2.139 0.358 0.670 0.850 0.650 CB 1.580 21 residues pruned to eliminate duplicates Z: 29 35.538 2.319 1.071 0.594 0.893 0.500 CB 1.432 29 residues pruned to eliminate duplicates Z: 16 18.724 2.060 0.360 0.912 0.933 0.933 CB 1.310 16 residues pruned to eliminate duplicates Z: 8 7.373 1.801 0.313 0.867 0.714 0.571 CB 1.207 8 residues pruned to eliminate duplicates Z: 64 64.728 2.458 0.979 0.473 0.937 0.619 CB 1.841 64 residues pruned to eliminate duplicates Z: 7 3.775 1.911 0.548 0.413 0.500 0.500 CB 1.141 7 residues pruned to eliminate duplicates Z: 11 13.837 1.725 0.399 0.868 0.900 0.900 CA 1.473 11 residues pruned to eliminate duplicates Z: 21 26.024 2.127 0.544 0.739 0.950 0.600 CB 1.505 21 residues pruned to eliminate duplicates Z: 12 20.027 2.128 0.652 0.769 0.909 0.727 CB 1.489 12 residues pruned to eliminate duplicates Z: 6 2.936 1.993 0.089 0.269 0.600 0.600 CB 1.312 6 residues pruned to eliminate duplicates Z: 17 25.241 2.047 0.723 0.752 1.000 0.688 CB 1.429 17 residues pruned to eliminate duplicates Z: 11 15.311 2.110 0.065 0.920 1.000 1.000 CA 1.517 11 residues pruned to eliminate duplicates Z: 11 11.966 1.775 0.236 0.871 1.000 0.800 CB 1.258 11 residues pruned to eliminate duplicates Z: 8 6.204 1.801 0.276 0.461 0.857 0.714 N 1.239 Z: 28 39.111 2.432 0.806 0.580 0.926 0.704 CB 1.714 28 residues pruned to eliminate duplicates Z: 14 14.730 1.711 0.830 0.502 0.923 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 7 2.147 1.383 0.020 0.362 0.667 0.500 O 1.081 7 residues pruned to eliminate duplicates Z: 7 10.772 1.989 0.372 0.777 1.000 0.667 CA 1.261 7 residues pruned to eliminate duplicates Z: 22 10.718 1.615 0.629 0.427 0.857 0.619 CB 1.119 17 residues pruned to eliminate duplicates Z: 101 57.461 2.312 0.795 0.474 0.890 0.580 CB 1.598 101 residues pruned to eliminate duplicates Z: 12 36.076 2.386 1.066 0.891 0.909 0.545 CB 1.745 12 residues pruned to eliminate duplicates Z: 74 47.882 2.318 0.799 0.472 0.918 0.534 CB 1.505 74 residues pruned to eliminate duplicates Z: 38 35.209 2.176 0.955 0.574 0.919 0.514 CB 1.379 38 residues pruned to eliminate duplicates Z: 50 36.724 2.137 0.690 0.592 0.939 0.653 CB 1.417 51 residues pruned to eliminate duplicates Z: 25 33.362 2.299 0.869 0.566 0.875 0.625 CB 1.700 25 residues pruned to eliminate duplicates Z: 29 40.354 2.430 0.756 0.562 0.929 0.607 CB 1.812 29 residues pruned to eliminate duplicates Z: 8 6.727 1.746 0.037 0.707 1.000 1.000 CB 1.163 Z: 52 46.505 2.424 0.917 0.459 0.863 0.510 CB 1.693 52 residues pruned to eliminate duplicates Z: 27 26.301 2.196 0.774 0.449 0.923 0.731 CB 1.511 27 residues pruned to eliminate duplicates Z: 66 62.779 2.462 1.000 0.501 0.877 0.631 CB 1.801 66 residues pruned to eliminate duplicates Z: 8 15.964 2.040 0.540 0.844 0.857 0.571 CA 1.667 8 residues pruned to eliminate duplicates Z: 8 8.620 1.523 0.349 0.907 1.000 1.000 CB 1.127 8 residues pruned to eliminate duplicates Z: 16 24.467 2.095 0.763 0.883 1.000 0.667 CB 1.237 16 residues pruned to eliminate duplicates Z: 11 21.027 2.109 1.234 0.681 0.800 0.700 CA 1.495 10 residues pruned to eliminate duplicates Z: 9 8.213 1.539 0.590 0.606 0.875 0.750 CB 1.226 7 residues pruned to eliminate duplicates Z: 18 16.868 2.235 0.367 0.792 0.765 0.647 CB 1.356 18 residues pruned to eliminate duplicates Z: 39 24.387 1.937 0.659 0.571 0.868 0.605 CB 1.324 39 residues pruned to eliminate duplicates Z: 8 6.594 1.552 0.536 0.837 0.857 0.571 CB 0.913 8 residues pruned to eliminate duplicates Z: 72 60.026 2.533 0.841 0.497 0.845 0.577 CB 1.813 72 residues pruned to eliminate duplicates Z: 23 19.124 2.177 0.529 0.362 0.955 0.636 CB 1.489 23 residues pruned to eliminate duplicates Z: 56 35.602 2.057 0.626 0.608 0.927 0.673 CB 1.397 56 residues pruned to eliminate duplicates Z: 91 68.762 2.468 0.800 0.469 0.956 0.644 CB 1.762 91 residues pruned to eliminate duplicates Z: 33 30.815 2.208 0.863 0.504 0.812 0.594 CB 1.623 33 residues pruned to eliminate duplicates Z: 21 17.629 2.071 0.671 0.386 0.900 0.500 CB 1.428 21 residues pruned to eliminate duplicates Z: 11 11.016 1.810 0.151 0.844 1.000 1.000 CB 1.244 11 residues pruned to eliminate duplicates Z: 12 30.712 2.399 0.653 0.891 1.000 0.455 CB 1.679 12 residues pruned to eliminate duplicates Z: 18 16.348 2.030 0.521 0.413 0.824 0.294 CB 1.708 18 residues pruned to eliminate duplicates Z: 25 32.245 2.343 0.824 0.521 0.875 0.583 CB 1.724 25 residues pruned to eliminate duplicates Z: 26 22.819 1.902 0.588 0.621 0.960 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 17 12.409 2.028 0.460 0.426 0.875 0.625 CB 1.293 17 residues pruned to eliminate duplicates Z: 22 15.336 1.969 0.449 0.668 0.952 0.762 CB 1.055 22 residues pruned to eliminate duplicates Z: 16 20.894 2.232 0.489 0.659 0.867 0.667 CB 1.616 16 residues pruned to eliminate duplicates Z: 14 36.245 2.224 0.696 0.904 1.000 0.692 CA 1.898 14 residues pruned to eliminate duplicates Z: 16 21.000 2.211 0.186 0.844 0.933 0.733 CB 1.648 16 residues pruned to eliminate duplicates Z: 34 47.810 2.541 0.861 0.457 0.939 0.576 CB 1.958 34 residues pruned to eliminate duplicates Z: 6 10.355 1.890 0.458 0.877 1.000 1.000 CB 1.220 6 residues pruned to eliminate duplicates Z: 14 10.106 1.631 0.424 0.558 0.923 0.538 CB 1.236 15 residues pruned to eliminate duplicates Z: 77 52.036 2.271 0.810 0.483 0.921 0.513 CB 1.605 77 residues pruned to eliminate duplicates Z: 10 8.340 1.467 0.616 0.884 1.000 0.667 CB 0.848 6 residues pruned to eliminate duplicates Z: 12 17.348 1.914 0.860 0.808 0.727 0.545 CB 1.545 12 residues pruned to eliminate duplicates Z: 7 11.650 1.608 1.409 0.685 0.833 0.833 N 1.244 Z: 13 27.881 2.439 0.496 0.858 0.917 0.750 CB 1.772 13 residues pruned to eliminate duplicates Z: 46 55.803 2.513 0.934 0.512 0.933 0.600 CB 1.813 46 residues pruned to eliminate duplicates Z: 140 72.005 2.262 0.805 0.512 0.935 0.647 CB 1.580 139 residues pruned to eliminate duplicates Z: 13 39.350 2.363 1.030 0.901 0.917 0.500 CB 1.843 13 residues pruned to eliminate duplicates Z: 11 15.638 2.167 0.535 0.376 1.000 0.900 CB 1.697 11 residues pruned to eliminate duplicates Z: 18 7.560 1.404 0.394 0.765 0.882 0.471 CB 0.839 18 residues pruned to eliminate duplicates Z: 32 26.005 2.236 0.457 0.477 0.903 0.613 CB 1.624 32 residues pruned to eliminate duplicates Z: 11 10.946 1.740 0.305 0.822 1.000 0.800 CB 1.154 11 residues pruned to eliminate duplicates Z: 17 19.773 1.936 0.920 0.488 0.938 0.562 CB 1.436 17 residues pruned to eliminate duplicates Z: 12 10.116 1.626 0.307 0.767 1.000 0.545 CB 1.133 12 residues pruned to eliminate duplicates Z: 28 29.945 2.335 0.795 0.424 0.926 0.593 CB 1.607 28 residues pruned to eliminate duplicates Z: 6 4.341 1.442 0.307 0.733 0.800 0.800 CA 1.044 Z: 11 16.743 1.980 0.422 0.774 0.900 0.700 CB 1.640 11 residues pruned to eliminate duplicates Z: 26 29.522 2.227 0.936 0.564 0.840 0.480 CB 1.533 26 residues pruned to eliminate duplicates Z: 10 11.423 1.843 0.288 0.851 0.889 0.778 CB 1.336 10 residues pruned to eliminate duplicates Z: 33 47.624 2.464 1.119 0.569 0.906 0.656 CB 1.665 33 residues pruned to eliminate duplicates Z: 11 16.686 1.871 0.699 0.803 0.800 0.500 CB 1.593 11 residues pruned to eliminate duplicates Z: 50 34.078 2.177 0.680 0.521 0.918 0.592 CB 1.420 50 residues pruned to eliminate duplicates Z: 7 12.252 1.688 0.637 0.756 1.000 0.833 CB 1.441 7 residues pruned to eliminate duplicates Z: 16 25.188 2.211 0.392 0.834 0.933 0.600 CB 1.697 16 residues pruned to eliminate duplicates Z: 20 17.711 1.894 0.766 0.506 0.895 0.474 CB 1.349 20 residues pruned to eliminate duplicates Z: 34 20.844 1.994 0.629 0.586 0.848 0.515 CB 1.212 42 residues pruned to eliminate duplicates Z: 20 9.874 1.975 0.723 0.230 0.789 0.632 CB 1.155 20 residues pruned to eliminate duplicates Z: 8 12.100 1.662 0.634 0.839 1.000 0.714 CB 1.258 8 residues pruned to eliminate duplicates Z: 9 12.293 1.751 0.411 0.878 0.875 0.625 CB 1.459 9 residues pruned to eliminate duplicates Z: 16 8.557 1.445 0.607 0.493 0.867 0.533 CB 1.105 16 residues pruned to eliminate duplicates Z: 13 8.047 1.815 0.470 0.529 0.750 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 101 79.908 2.498 0.912 0.524 0.910 0.570 CB 1.796 101 residues pruned to eliminate duplicates Z: 17 17.356 2.009 0.343 0.858 0.938 0.812 CB 1.263 17 residues pruned to eliminate duplicates Z: 11 16.472 1.955 0.553 0.862 0.800 0.500 CB 1.575 11 residues pruned to eliminate duplicates Z: 27 40.504 2.382 0.938 0.598 0.923 0.577 CB 1.697 27 residues pruned to eliminate duplicates Z: 7 10.042 1.844 0.733 0.627 0.833 0.500 CB 1.366 7 residues pruned to eliminate duplicates Z: 9 10.099 1.807 0.318 0.831 0.750 0.250 CB 1.502 9 residues pruned to eliminate duplicates Z: 14 10.435 1.502 0.400 0.770 1.000 0.538 CB 1.083 14 residues pruned to eliminate duplicates Z: 49 29.217 2.112 0.631 0.527 0.854 0.562 CB 1.396 49 residues pruned to eliminate duplicates Z: 12 10.832 1.659 0.233 0.878 0.818 0.545 CB 1.415 12 residues pruned to eliminate duplicates 6 1.831 2.018 -0.331 0.221 0.800 0.600 CB 1.051 ? Z: 36 38.656 2.290 0.935 0.511 0.886 0.543 CB 1.648 36 residues pruned to eliminate duplicates Z: 60 40.833 2.168 0.664 0.491 0.932 0.576 CB 1.596 75 residues pruned to eliminate duplicates Z: 9 9.302 1.541 0.309 0.911 1.000 0.875 CB 1.155 Z: 12 10.052 1.619 0.282 0.824 1.000 0.818 CB 1.103 12 residues pruned to eliminate duplicates Z: 37 43.255 2.443 0.874 0.436 0.889 0.417 CB 1.893 37 residues pruned to eliminate duplicates Z: 39 34.618 2.125 0.829 0.609 0.921 0.632 CB 1.414 39 residues pruned to eliminate duplicates Z: 7 2.588 1.354 0.322 0.413 0.833 0.667 CB 0.776 Z: 39 28.268 2.029 0.964 0.460 0.868 0.579 CB 1.381 39 residues pruned to eliminate duplicates Z: 12 14.821 2.016 0.325 0.769 1.000 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 72 58.865 2.494 0.923 0.458 0.873 0.549 CB 1.743 72 residues pruned to eliminate duplicates Z: 16 32.030 2.183 0.868 0.872 0.933 0.733 CB 1.584 16 residues pruned to eliminate duplicates Z: 20 16.039 1.799 0.337 0.631 0.947 0.632 CB 1.428 20 residues pruned to eliminate duplicates Z: 53 37.021 2.115 0.650 0.576 0.923 0.654 CB 1.481 62 residues pruned to eliminate duplicates Z: 35 39.426 2.252 0.697 0.656 1.000 0.765 CB 1.531 35 residues pruned to eliminate duplicates Z: 7 5.048 1.646 -0.215 0.762 1.000 1.000 CB 1.264 Z: 53 63.488 2.518 1.015 0.541 0.923 0.635 CB 1.807 53 residues pruned to eliminate duplicates Z: 8 10.014 2.030 0.353 0.476 0.857 0.429 CB 1.647 Z: 9 7.321 1.506 0.505 0.892 0.875 0.875 CB 0.938 9 residues pruned to eliminate duplicates Z: 84 46.349 2.184 0.802 0.471 0.880 0.590 CB 1.513 84 residues pruned to eliminate duplicates Z: 6 6.340 1.626 0.630 0.360 1.000 0.200 CB 1.244 Z: 42 28.862 2.138 0.698 0.469 0.829 0.634 CB 1.544 42 residues pruned to eliminate duplicates Z: 6 10.198 1.579 0.994 0.738 1.000 0.400 CA 1.169 Z: 7 4.101 1.656 0.196 0.664 0.833 0.667 N 0.872 Z: 6 7.243 1.908 0.667 0.402 0.800 0.600 CA 1.411 14 residues pruned to eliminate duplicates Z: 69 67.378 2.565 0.928 0.496 0.882 0.676 CB 1.880 69 residues pruned to eliminate duplicates Z: 11 5.556 1.635 0.176 0.533 0.900 0.700 CB 0.983 11 residues pruned to eliminate duplicates Z: 72 67.645 2.548 0.919 0.514 0.887 0.577 CB 1.826 72 residues pruned to eliminate duplicates Z: 10 14.272 2.036 0.490 0.581 0.889 0.778 CB 1.633 10 residues pruned to eliminate duplicates Z: 99 55.779 2.193 0.879 0.489 0.908 0.561 CB 1.523 99 residues pruned to eliminate duplicates Z: 23 16.153 2.121 0.915 0.303 0.818 0.636 CB 1.291 23 residues pruned to eliminate duplicates Z: 7 8.276 1.958 0.639 0.843 0.667 0.500 CB 1.176 7 residues pruned to eliminate duplicates Z: 23 13.157 1.977 0.547 0.348 0.864 0.455 CB 1.252 23 residues pruned to eliminate duplicates Z: 7 9.976 1.971 0.874 0.779 0.667 0.500 CA 1.293 7 residues pruned to eliminate duplicates Z: 14 7.602 1.566 0.442 0.466 0.846 0.692 CB 1.143 14 residues pruned to eliminate duplicates Z: 11 8.503 1.591 0.320 0.841 1.000 0.800 CB 0.954 11 residues pruned to eliminate duplicates Z: 7 3.747 1.481 1.187 0.308 0.667 0.500 N 0.876 Z: 31 29.964 2.339 0.692 0.450 0.867 0.533 CB 1.679 30 residues pruned to eliminate duplicates Z: 16 15.609 1.984 0.786 0.475 0.800 0.533 CA 1.459 14 residues pruned to eliminate duplicates Z: 11 9.220 1.728 0.568 0.515 0.800 0.700 CB 1.325 Z: 12 12.812 1.582 0.677 0.856 0.909 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 46 27.150 2.073 0.647 0.456 0.911 0.622 CB 1.362 52 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 10.797 1.642 0.513 0.518 0.900 0.600 CB 1.061 21 residues pruned to eliminate duplicates Z: 15 13.665 1.752 0.624 0.616 0.929 0.643 CB 1.239 15 residues pruned to eliminate duplicates Z: 24 15.883 1.709 0.590 0.551 0.913 0.696 CB 1.271 24 residues pruned to eliminate duplicates Z: 15 9.431 1.755 0.377 0.557 0.857 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 18 8.088 1.666 0.362 0.473 0.824 0.412 CB 1.079 18 residues pruned to eliminate duplicates Z: 22 7.678 1.630 0.329 0.413 0.762 0.381 CB 1.112 22 residues pruned to eliminate duplicates Z: 23 15.390 1.685 0.553 0.607 0.955 0.682 CB 1.187 23 residues pruned to eliminate duplicates Z: 14 14.614 1.772 0.496 0.682 1.000 0.538 CB 1.293 14 residues pruned to eliminate duplicates Z: 27 14.199 1.704 0.435 0.559 0.923 0.692 CB 1.165 27 residues pruned to eliminate duplicates Z: 23 16.912 1.677 0.558 0.629 1.000 0.682 CB 1.222 24 residues pruned to eliminate duplicates Z: 6 7.106 1.641 0.982 0.299 1.000 0.200 CB 1.223 6 residues pruned to eliminate duplicates Z: 23 16.627 1.690 0.541 0.581 0.955 0.682 CB 1.319 23 residues pruned to eliminate duplicates Z: 22 14.655 1.710 0.558 0.594 0.905 0.667 CB 1.212 22 residues pruned to eliminate duplicates Z: 8 9.305 1.738 0.422 0.615 0.857 0.857 CB 1.490 8 residues pruned to eliminate duplicates Z: 24 12.465 1.699 0.469 0.495 0.870 0.609 CB 1.204 24 residues pruned to eliminate duplicates Z: 28 20.714 1.738 0.521 0.693 1.000 0.704 CB 1.264 28 residues pruned to eliminate duplicates Z: 7 6.081 1.454 0.545 0.461 1.000 0.833 CB 1.150 7 residues pruned to eliminate duplicates Z: 30 17.016 1.682 0.473 0.676 0.931 0.759 CB 1.166 30 residues pruned to eliminate duplicates Z: 26 15.306 1.735 0.400 0.587 0.960 0.680 CB 1.207 26 residues pruned to eliminate duplicates Z: 27 14.616 1.686 0.434 0.592 0.923 0.577 CB 1.176 27 residues pruned to eliminate duplicates Z: 17 13.879 1.613 0.584 0.672 1.000 0.812 CB 1.159 17 residues pruned to eliminate duplicates Z: 17 15.023 1.627 0.618 0.695 1.000 0.875 CB 1.194 16 residues pruned to eliminate duplicates Z: 9 7.988 1.527 0.466 0.916 1.000 0.750 CB 0.891 9 residues pruned to eliminate duplicates Z: 17 13.723 1.622 0.594 0.681 0.938 0.875 CB 1.198 17 residues pruned to eliminate duplicates Z: 31 18.365 1.679 0.529 0.662 0.967 0.667 CB 1.163 31 residues pruned to eliminate duplicates Z: 29 17.827 1.713 0.528 0.666 0.929 0.714 CB 1.188 29 residues pruned to eliminate duplicates Z: 6 4.714 1.399 0.484 0.808 0.800 0.600 CB 0.971 6 residues pruned to eliminate duplicates Z: 19 30.184 2.240 0.695 0.693 1.000 0.722 CB 1.570 19 residues pruned to eliminate duplicates Z: 18 25.671 2.313 0.494 0.695 0.882 0.765 CB 1.708 18 residues pruned to eliminate duplicates Z: 20 23.563 2.235 0.435 0.675 0.895 0.737 CB 1.604 20 residues pruned to eliminate duplicates Z: 18 25.650 2.297 0.542 0.644 0.882 0.647 CB 1.739 18 residues pruned to eliminate duplicates Z: 26 27.550 2.317 0.559 0.631 0.840 0.600 CB 1.605 26 residues pruned to eliminate duplicates Z: 23 24.768 2.131 0.719 0.599 0.909 0.636 CB 1.443 23 residues pruned to eliminate duplicates Z: 21 25.989 2.178 0.531 0.707 0.950 0.600 CB 1.520 21 residues pruned to eliminate duplicates Z: 20 25.426 2.290 0.517 0.689 0.895 0.579 CB 1.578 20 residues pruned to eliminate duplicates Z: 20 26.205 2.246 0.525 0.726 0.895 0.684 CB 1.600 20 residues pruned to eliminate duplicates Z: 17 30.202 2.377 0.560 0.726 1.000 0.812 CB 1.662 17 residues pruned to eliminate duplicates Z: 21 28.206 2.227 0.556 0.749 0.950 0.700 CB 1.534 21 residues pruned to eliminate duplicates Z: 17 29.480 2.160 0.750 0.816 1.000 0.938 CB 1.481 17 residues pruned to eliminate duplicates Z: 20 30.094 2.232 0.598 0.757 1.000 0.579 CB 1.540 20 residues pruned to eliminate duplicates Z: 25 30.571 2.315 0.612 0.674 0.917 0.625 CB 1.554 25 residues pruned to eliminate duplicates Z: 28 29.901 2.232 0.638 0.652 0.926 0.630 CB 1.475 28 residues pruned to eliminate duplicates Z: 55 34.420 2.059 0.556 0.609 0.907 0.630 CB 1.453 55 residues pruned to eliminate duplicates Z: 24 30.320 2.301 0.592 0.668 0.957 0.478 CB 1.545 24 residues pruned to eliminate duplicates Z: 56 34.140 2.069 0.556 0.581 0.909 0.655 CB 1.455 56 residues pruned to eliminate duplicates Z: 10 10.751 2.113 0.938 0.441 0.778 0.556 CB 1.195 10 residues pruned to eliminate duplicates Z: 39 26.735 1.975 0.785 0.570 0.842 0.579 CB 1.364 39 residues pruned to eliminate duplicates Z: 32 22.846 2.026 0.610 0.488 0.903 0.548 CB 1.410 32 residues pruned to eliminate duplicates Z: 51 31.219 2.106 0.605 0.550 0.880 0.620 CB 1.413 51 residues pruned to eliminate duplicates Z: 39 20.196 1.920 0.520 0.498 0.868 0.658 CB 1.295 39 residues pruned to eliminate duplicates Z: 51 34.222 2.077 0.640 0.573 0.920 0.620 CB 1.439 51 residues pruned to eliminate duplicates Z: 28 24.884 2.184 0.725 0.543 0.852 0.519 CB 1.432 29 residues pruned to eliminate duplicates Z: 12 13.724 1.964 0.521 0.714 0.727 0.636 CB 1.569 12 residues pruned to eliminate duplicates Z: 24 18.450 1.842 0.600 0.493 0.870 0.696 CA 1.511 24 residues pruned to eliminate duplicates Z: 28 22.923 1.896 0.597 0.616 0.963 0.778 CB 1.355 28 residues pruned to eliminate duplicates Z: 12 17.204 2.115 0.489 0.619 0.909 0.727 CB 1.619 12 residues pruned to eliminate duplicates Z: 26 22.426 1.959 0.434 0.646 0.960 0.760 CB 1.451 26 residues pruned to eliminate duplicates Z: 38 20.651 1.949 0.526 0.482 0.865 0.649 CB 1.343 38 residues pruned to eliminate duplicates Z: 22 19.764 1.970 0.572 0.549 0.905 0.619 CB 1.467 22 residues pruned to eliminate duplicates Z: 21 22.494 1.919 0.694 0.632 0.950 0.600 CB 1.439 21 residues pruned to eliminate duplicates Z: 26 22.228 1.956 0.415 0.618 0.960 0.720 CB 1.496 26 residues pruned to eliminate duplicates Z: 36 26.944 2.035 0.622 0.509 0.943 0.629 CB 1.451 36 residues pruned to eliminate duplicates Z: 22 24.800 1.928 0.774 0.600 0.952 0.810 CB 1.510 22 residues pruned to eliminate duplicates Z: 42 32.122 2.209 0.542 0.573 0.927 0.659 CB 1.482 42 residues pruned to eliminate duplicates Z: 14 17.087 2.004 0.563 0.634 0.846 0.538 CB 1.577 14 residues pruned to eliminate duplicates Z: 26 18.339 2.059 0.495 0.453 0.880 0.480 CB 1.421 26 residues pruned to eliminate duplicates Z: 105 70.647 2.425 0.848 0.472 0.904 0.587 CB 1.760 105 residues pruned to eliminate duplicates Z: 34 19.559 2.072 0.607 0.421 0.788 0.485 CB 1.410 34 residues pruned to eliminate duplicates Z: 21 12.749 1.924 0.443 0.393 0.900 0.600 CB 1.277 21 residues pruned to eliminate duplicates Z: 46 35.856 2.281 0.708 0.475 0.911 0.600 CB 1.543 46 residues pruned to eliminate duplicates Z: 72 39.650 2.081 0.786 0.484 0.873 0.606 CB 1.473 72 residues pruned to eliminate duplicates Z: 113 77.236 2.488 0.864 0.484 0.911 0.598 CB 1.756 114 residues pruned to eliminate duplicates Z: 7 8.040 1.837 0.454 0.384 1.000 0.500 CB 1.390 7 residues pruned to eliminate duplicates Z: 116 77.147 2.453 0.909 0.473 0.904 0.591 CB 1.747 114 residues pruned to eliminate duplicates Z: 6 6.288 1.665 0.588 0.705 1.000 0.800 CA 0.883 6 residues pruned to eliminate duplicates Z: 114 74.417 2.477 0.901 0.487 0.867 0.611 CB 1.738 114 residues pruned to eliminate duplicates Z: 93 69.155 2.463 0.911 0.460 0.902 0.598 CB 1.768 93 residues pruned to eliminate duplicates Z: 43 40.772 2.332 0.752 0.502 0.929 0.619 CB 1.655 43 residues pruned to eliminate duplicates Z: 42 40.939 2.351 0.745 0.505 0.951 0.634 CB 1.631 42 residues pruned to eliminate duplicates Z: 90 72.354 2.499 0.891 0.489 0.921 0.629 CB 1.782 90 residues pruned to eliminate duplicates Z: 85 73.564 2.478 0.927 0.501 0.929 0.643 CB 1.808 85 residues pruned to eliminate duplicates Z: 91 68.699 2.458 0.911 0.442 0.933 0.622 CB 1.753 91 residues pruned to eliminate duplicates Z: 91 70.945 2.503 0.917 0.463 0.900 0.633 CB 1.798 91 residues pruned to eliminate duplicates Z: 86 69.282 2.450 0.857 0.499 0.929 0.682 CB 1.779 86 residues pruned to eliminate duplicates Z: 43 45.517 2.312 0.977 0.519 0.905 0.667 CB 1.665 43 residues pruned to eliminate duplicates Z: 45 38.307 2.344 0.725 0.460 0.886 0.705 CB 1.679 45 residues pruned to eliminate duplicates Z: 26 25.409 2.279 0.756 0.407 0.960 0.680 CB 1.458 26 residues pruned to eliminate duplicates Z: 25 22.889 2.152 0.867 0.449 0.917 0.625 CB 1.336 25 residues pruned to eliminate duplicates Z: 56 48.385 2.295 0.802 0.519 0.927 0.636 CB 1.670 56 residues pruned to eliminate duplicates Z: 90 64.201 2.458 0.848 0.436 0.910 0.584 CB 1.758 90 residues pruned to eliminate duplicates Z: 44 42.420 2.328 0.944 0.481 0.884 0.605 CB 1.648 44 residues pruned to eliminate duplicates Z: 134 76.090 2.404 0.867 0.490 0.887 0.594 CB 1.673 136 residues pruned to eliminate duplicates Z: 6 22.419 2.555 0.945 0.648 1.000 0.200 CA 1.757 6 residues pruned to eliminate duplicates Z: 113 80.173 2.492 0.955 0.495 0.893 0.661 CB 1.751 113 residues pruned to eliminate duplicates Z: 23 34.878 2.327 1.001 0.537 0.864 0.545 CA 1.783 23 residues pruned to eliminate duplicates Z: 28 38.545 2.375 0.880 0.475 0.963 0.630 CB 1.769 28 residues pruned to eliminate duplicates Z: 42 41.769 2.317 0.858 0.511 0.927 0.659 CB 1.618 42 residues pruned to eliminate duplicates Z: 91 65.618 2.434 0.844 0.475 0.900 0.600 CB 1.756 91 residues pruned to eliminate duplicates Z: 23 31.367 2.374 0.640 0.497 0.909 0.455 CA 1.895 23 residues pruned to eliminate duplicates Z: 28 33.485 2.360 0.693 0.510 0.926 0.630 CB 1.725 28 residues pruned to eliminate duplicates Z: 113 78.231 2.466 0.930 0.487 0.902 0.661 CB 1.745 113 residues pruned to eliminate duplicates Z: 42 42.783 2.382 0.824 0.514 0.927 0.659 CB 1.636 42 residues pruned to eliminate duplicates Z: 28 36.272 2.304 0.852 0.513 0.926 0.593 CB 1.744 28 residues pruned to eliminate duplicates Z: 44 45.788 2.321 0.907 0.496 0.977 0.674 CB 1.621 44 residues pruned to eliminate duplicates Z: 44 46.185 2.362 0.826 0.522 0.953 0.558 CB 1.676 44 residues pruned to eliminate duplicates Z: 93 65.763 2.431 0.877 0.466 0.913 0.565 CB 1.703 93 residues pruned to eliminate duplicates Z: 59 45.001 2.262 0.711 0.523 0.931 0.690 CB 1.603 59 residues pruned to eliminate duplicates Z: 46 41.041 2.343 0.765 0.513 0.933 0.644 CB 1.565 46 residues pruned to eliminate duplicates Z: 48 39.293 2.309 0.732 0.489 0.915 0.532 CB 1.584 48 residues pruned to eliminate duplicates Z: 114 82.099 2.506 0.923 0.504 0.894 0.566 CB 1.787 116 residues pruned to eliminate duplicates Z: 15 27.764 2.196 0.993 0.739 0.929 0.643 CB 1.474 15 residues pruned to eliminate duplicates Z: 8 9.526 1.976 0.816 0.286 0.857 0.286 CB 1.489 8 residues pruned to eliminate duplicates Z: 24 34.357 2.359 0.913 0.562 0.957 0.652 CB 1.563 24 residues pruned to eliminate duplicates Z: 52 50.577 2.531 0.919 0.457 0.863 0.549 CB 1.766 52 residues pruned to eliminate duplicates Z: 38 67.928 2.671 1.069 0.536 0.973 0.622 CB 2.004 38 residues pruned to eliminate duplicates Z: 75 66.851 2.525 0.955 0.470 0.905 0.568 CB 1.792 75 residues pruned to eliminate duplicates Z: 66 59.113 2.512 0.926 0.466 0.862 0.538 CB 1.821 66 residues pruned to eliminate duplicates Z: 89 69.845 2.481 0.952 0.462 0.932 0.568 CB 1.714 89 residues pruned to eliminate duplicates Z: 50 58.421 2.602 1.057 0.472 0.878 0.571 CB 1.828 50 residues pruned to eliminate duplicates Z: 49 51.688 2.553 0.884 0.423 0.917 0.562 CB 1.833 49 residues pruned to eliminate duplicates Z: 73 64.156 2.558 0.953 0.489 0.847 0.486 CB 1.806 73 residues pruned to eliminate duplicates Z: 47 59.085 2.528 0.962 0.541 0.935 0.630 CB 1.805 47 residues pruned to eliminate duplicates Z: 94 79.054 2.499 0.952 0.517 0.903 0.548 CB 1.830 94 residues pruned to eliminate duplicates Z: 6 7.528 2.135 0.610 0.586 0.800 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 67 63.416 2.527 0.998 0.511 0.864 0.576 CB 1.771 67 residues pruned to eliminate duplicates Z: 50 52.871 2.527 0.941 0.416 0.898 0.571 CB 1.873 50 residues pruned to eliminate duplicates Z: 41 54.226 2.538 1.054 0.509 0.900 0.600 CB 1.811 41 residues pruned to eliminate duplicates Z: 76 68.371 2.526 0.863 0.489 0.920 0.600 CB 1.844 76 residues pruned to eliminate duplicates Z: 52 53.635 2.457 0.909 0.527 0.902 0.471 CB 1.729 52 residues pruned to eliminate duplicates Z: 30 47.048 2.604 0.900 0.492 0.897 0.586 CA 1.986 30 residues pruned to eliminate duplicates Z: 57 51.158 2.532 0.838 0.435 0.893 0.536 CB 1.759 82 residues pruned to eliminate duplicates Z: 12 31.836 2.327 0.797 0.869 0.909 0.909 CA 1.844 12 residues pruned to eliminate duplicates Z: 53 54.256 2.541 1.003 0.453 0.865 0.519 CB 1.793 47 residues pruned to eliminate duplicates Z: 15 35.245 2.346 0.814 0.823 0.929 0.571 CB 1.802 15 residues pruned to eliminate duplicates Z: 50 58.771 2.556 1.025 0.484 0.918 0.571 CB 1.795 50 residues pruned to eliminate duplicates Z: 76 65.231 2.498 0.955 0.476 0.893 0.573 CB 1.768 52 residues pruned to eliminate duplicates Z: 7 6.788 2.084 0.383 0.371 0.833 0.333 CA 1.324 7 residues pruned to eliminate duplicates Z: 36 44.376 2.536 0.830 0.468 0.943 0.543 CB 1.772 36 residues pruned to eliminate duplicates Z: 86 54.081 2.426 0.823 0.403 0.859 0.506 CB 1.710 86 residues pruned to eliminate duplicates Z: 88 58.612 2.376 0.823 0.459 0.885 0.552 CB 1.708 88 residues pruned to eliminate duplicates Z: 84 65.378 2.409 0.899 0.504 0.928 0.578 CB 1.683 84 residues pruned to eliminate duplicates Z: 112 64.476 2.427 0.850 0.429 0.838 0.577 CB 1.750 112 residues pruned to eliminate duplicates Z: 44 57.718 2.621 1.047 0.473 0.860 0.651 CB 1.959 44 residues pruned to eliminate duplicates Z: 66 67.471 2.484 1.043 0.534 0.892 0.538 CB 1.788 66 residues pruned to eliminate duplicates Z: 44 57.761 2.557 1.089 0.524 0.907 0.605 CB 1.776 44 residues pruned to eliminate duplicates Z: 51 58.316 2.546 1.045 0.486 0.900 0.620 CB 1.785 51 residues pruned to eliminate duplicates Z: 32 33.758 2.485 0.962 0.336 0.839 0.484 CB 1.774 32 residues pruned to eliminate duplicates Z: 45 64.764 2.611 1.124 0.482 0.909 0.614 CB 1.972 45 residues pruned to eliminate duplicates Z: 73 70.608 2.556 1.079 0.502 0.875 0.625 CB 1.786 73 residues pruned to eliminate duplicates Z: 70 68.399 2.577 1.035 0.484 0.870 0.638 CB 1.834 70 residues pruned to eliminate duplicates Z: 114 80.136 2.471 1.007 0.492 0.912 0.611 CB 1.681 114 residues pruned to eliminate duplicates Z: 45 62.869 2.615 1.195 0.474 0.932 0.636 CB 1.819 45 residues pruned to eliminate duplicates Z: 67 72.433 2.545 1.154 0.501 0.894 0.591 CB 1.818 67 residues pruned to eliminate duplicates Z: 8 6.407 2.308 0.823 0.131 0.714 0.429 CB 1.277 Z: 15 45.011 2.479 0.933 0.794 1.000 0.643 CB 1.940 15 residues pruned to eliminate duplicates Z: 70 63.976 2.508 0.997 0.497 0.870 0.609 CB 1.775 70 residues pruned to eliminate duplicates Z: 45 48.706 2.431 0.938 0.500 0.886 0.545 CB 1.758 45 residues pruned to eliminate duplicates Z: 13 35.779 2.432 0.781 0.886 1.000 0.833 CB 1.720 13 residues pruned to eliminate duplicates Z: 64 59.821 2.508 0.910 0.533 0.873 0.540 CB 1.744 64 residues pruned to eliminate duplicates Z: 82 67.273 2.472 0.952 0.512 0.877 0.531 CB 1.746 82 residues pruned to eliminate duplicates Z: 26 41.452 2.521 0.917 0.580 0.880 0.600 CB 1.804 26 residues pruned to eliminate duplicates Z: 98 69.917 2.443 0.913 0.479 0.928 0.629 CB 1.673 98 residues pruned to eliminate duplicates Z: 28 33.088 2.471 0.610 0.576 0.889 0.593 CB 1.673 28 residues pruned to eliminate duplicates Z: 25 40.862 2.550 0.855 0.604 0.875 0.625 CB 1.825 25 residues pruned to eliminate duplicates Z: 55 62.693 2.547 0.937 0.541 0.889 0.630 CB 1.870 55 residues pruned to eliminate duplicates Z: 26 40.933 2.552 0.845 0.643 0.880 0.640 CB 1.728 26 residues pruned to eliminate duplicates Z: 61 67.155 2.525 0.993 0.559 0.900 0.617 CB 1.808 61 residues pruned to eliminate duplicates Z: 28 40.969 2.450 0.906 0.600 0.852 0.630 CB 1.801 28 residues pruned to eliminate duplicates Z: 29 33.266 2.423 0.772 0.583 0.821 0.607 CB 1.646 29 residues pruned to eliminate duplicates Z: 11 18.656 2.412 0.837 0.422 0.800 0.600 CA 1.804 11 residues pruned to eliminate duplicates Z: 26 42.437 2.464 0.860 0.607 0.920 0.640 CB 1.819 26 residues pruned to eliminate duplicates Z: 26 45.612 2.492 0.944 0.632 0.920 0.640 CB 1.807 26 residues pruned to eliminate duplicates Z: 25 46.698 2.548 0.980 0.602 0.917 0.667 CB 1.870 25 residues pruned to eliminate duplicates Z: 63 55.636 2.438 0.983 0.494 0.855 0.597 CB 1.720 63 residues pruned to eliminate duplicates Z: 26 43.947 2.484 0.901 0.640 0.880 0.680 CB 1.855 26 residues pruned to eliminate duplicates Z: 30 40.586 2.427 0.794 0.571 0.897 0.552 CB 1.804 30 residues pruned to eliminate duplicates Z: 28 38.651 2.447 0.894 0.598 0.889 0.519 CB 1.645 28 residues pruned to eliminate duplicates Z: 28 39.449 2.459 0.858 0.550 0.963 0.704 CB 1.643 28 residues pruned to eliminate duplicates Z: 29 51.551 2.468 1.246 0.677 0.893 0.536 CB 1.672 29 residues pruned to eliminate duplicates Z: 28 51.408 2.456 1.182 0.655 0.963 0.630 CB 1.659 28 residues pruned to eliminate duplicates Z: 27 51.645 2.549 1.168 0.681 0.923 0.615 CB 1.681 27 residues pruned to eliminate duplicates Z: 27 43.620 2.489 1.063 0.651 0.846 0.615 CB 1.710 27 residues pruned to eliminate duplicates Z: 29 48.979 2.428 1.070 0.622 0.964 0.500 CB 1.702 29 residues pruned to eliminate duplicates Z: 31 50.709 2.408 1.144 0.637 0.967 0.600 CB 1.632 28 residues pruned to eliminate duplicates Z: 7 8.902 2.013 0.666 0.644 0.833 0.333 CA 1.137 Z: 8 18.970 2.236 1.131 0.553 1.000 0.857 CA 1.430 7 residues pruned to eliminate duplicates Z: 8 15.844 2.039 1.001 0.532 0.857 0.714 CA 1.660 8 residues pruned to eliminate duplicates Z: 27 51.334 2.523 1.167 0.647 0.923 0.654 CB 1.738 35 residues pruned to eliminate duplicates Z: 27 56.436 2.545 1.317 0.686 0.923 0.500 CB 1.714 31 residues pruned to eliminate duplicates Z: 6 10.294 1.936 0.879 0.490 1.000 0.800 CA 1.279 6 residues pruned to eliminate duplicates Z: 28 50.791 2.477 1.166 0.661 0.926 0.630 CB 1.695 28 residues pruned to eliminate duplicates Z: 29 50.452 2.448 1.263 0.644 0.929 0.679 CB 1.621 27 residues pruned to eliminate duplicates Z: 6 3.628 1.716 0.581 0.107 0.800 0.400 CA 1.231 7 residues pruned to eliminate duplicates Z: 18 29.019 2.115 0.773 0.826 0.882 0.647 CB 1.604 26 residues pruned to eliminate duplicates Z: 6 5.276 1.606 0.032 0.805 1.000 0.800 CB 1.091 Z: 6 5.864 1.796 -0.030 0.771 1.000 0.600 CB 1.184 6 residues pruned to eliminate duplicates Z: 20 28.263 2.118 0.429 0.835 1.000 0.737 CB 1.605 26 residues pruned to eliminate duplicates Z: 22 25.800 2.118 0.477 0.660 0.905 0.524 CB 1.714 22 residues pruned to eliminate duplicates Z: 27 27.761 2.177 0.582 0.654 0.885 0.462 CB 1.549 25 residues pruned to eliminate duplicates Z: 15 30.340 2.210 0.673 0.844 0.929 0.786 CB 1.758 15 residues pruned to eliminate duplicates Z: 28 26.596 2.192 0.535 0.645 0.889 0.556 CB 1.494 28 residues pruned to eliminate duplicates Z: 19 23.645 2.207 0.354 0.709 0.889 0.556 CB 1.736 19 residues pruned to eliminate duplicates Z: 21 26.094 2.159 0.565 0.704 0.900 0.500 CB 1.594 21 residues pruned to eliminate duplicates Z: 25 26.910 2.199 0.600 0.679 0.917 0.625 CB 1.445 25 residues pruned to eliminate duplicates Z: 27 22.662 2.031 0.548 0.590 0.885 0.615 CB 1.467 27 residues pruned to eliminate duplicates Z: 21 28.826 2.183 0.579 0.724 0.950 0.600 CB 1.608 21 residues pruned to eliminate duplicates Z: 17 27.532 2.268 0.534 0.713 0.938 0.812 CB 1.739 17 residues pruned to eliminate duplicates Z: 24 24.206 2.150 0.689 0.616 0.826 0.652 CB 1.508 24 residues pruned to eliminate duplicates Z: 28 19.916 1.996 0.529 0.532 0.889 0.519 CB 1.369 28 residues pruned to eliminate duplicates Z: 18 29.168 2.228 0.624 0.722 0.941 0.765 CB 1.699 18 residues pruned to eliminate duplicates Z: 21 26.717 2.153 0.492 0.726 0.950 0.700 CB 1.597 21 residues pruned to eliminate duplicates Z: 27 26.493 2.163 0.536 0.690 0.885 0.615 CB 1.486 27 residues pruned to eliminate duplicates Z: 26 28.068 2.175 0.667 0.653 0.880 0.720 CB 1.526 26 residues pruned to eliminate duplicates Z: 49 28.914 1.985 0.593 0.591 0.875 0.604 CB 1.383 49 residues pruned to eliminate duplicates Z: 8 8.813 1.937 0.593 0.568 0.714 0.714 CB 1.414 8 residues pruned to eliminate duplicates Z: 8 4.590 1.796 0.434 0.524 0.714 0.429 CB 0.921 8 residues pruned to eliminate duplicates Z: 28 18.228 2.032 0.349 0.571 0.852 0.519 CB 1.402 28 residues pruned to eliminate duplicates Z: 102 58.257 2.302 0.880 0.474 0.861 0.624 CB 1.596 102 residues pruned to eliminate duplicates Z: 72 49.212 2.302 0.735 0.475 0.930 0.521 CB 1.613 72 residues pruned to eliminate duplicates Z: 66 49.073 2.312 0.737 0.507 0.923 0.585 CB 1.631 66 residues pruned to eliminate duplicates Z: 66 50.791 2.330 0.770 0.509 0.892 0.600 CB 1.697 66 residues pruned to eliminate duplicates Z: 43 32.325 2.017 0.984 0.475 0.881 0.524 CB 1.451 29 residues pruned to eliminate duplicates Z: 9 13.790 1.751 1.171 0.577 0.875 0.500 C 1.361 9 residues pruned to eliminate duplicates Z: 72 56.434 2.300 0.929 0.520 0.915 0.620 CB 1.617 84 residues pruned to eliminate duplicates Z: 7 12.331 2.073 0.832 0.497 0.833 0.000 CA 1.596 7 residues pruned to eliminate duplicates Z: 22 40.538 2.376 0.969 0.558 0.952 0.619 CA 1.877 22 residues pruned to eliminate duplicates Z: 23 42.990 2.332 1.223 0.539 0.909 0.636 CA 1.871 23 residues pruned to eliminate duplicates Z: 94 55.661 2.347 0.791 0.484 0.849 0.516 CB 1.643 94 residues pruned to eliminate duplicates Z: 81 49.298 2.260 0.779 0.469 0.913 0.575 CB 1.551 81 residues pruned to eliminate duplicates Z: 25 34.984 2.241 0.913 0.550 0.917 0.708 CA 1.731 25 residues pruned to eliminate duplicates Z: 65 51.367 2.340 0.783 0.512 0.906 0.625 CB 1.678 65 residues pruned to eliminate duplicates Z: 90 51.633 2.191 0.820 0.456 0.944 0.573 CB 1.520 90 residues pruned to eliminate duplicates Z: 29 47.749 2.246 1.228 0.556 1.000 0.607 CB 1.708 30 residues pruned to eliminate duplicates Z: 13 34.187 2.348 1.101 0.827 0.917 0.750 CA 1.644 13 residues pruned to eliminate duplicates Z: 72 53.105 2.287 0.932 0.500 0.873 0.620 CB 1.633 72 residues pruned to eliminate duplicates Z: 103 57.864 2.254 0.860 0.472 0.912 0.569 CB 1.542 103 residues pruned to eliminate duplicates Z: 98 56.431 2.300 0.792 0.474 0.897 0.629 CB 1.591 98 residues pruned to eliminate duplicates Z: 29 46.615 2.231 1.237 0.552 0.964 0.679 CA 1.739 28 residues pruned to eliminate duplicates Z: 14 33.732 2.347 1.067 0.691 0.923 0.538 CB 1.754 14 residues pruned to eliminate duplicates Z: 68 50.440 2.298 0.792 0.506 0.910 0.582 CB 1.634 68 residues pruned to eliminate duplicates Z: 74 47.932 2.273 0.802 0.468 0.890 0.521 CB 1.589 74 residues pruned to eliminate duplicates Z: 68 50.662 2.285 0.856 0.517 0.896 0.567 CB 1.602 68 residues pruned to eliminate duplicates Z: 57 32.814 2.227 0.585 0.428 0.875 0.536 CB 1.529 57 residues pruned to eliminate duplicates Z: 50 57.201 2.371 0.974 0.548 0.980 0.694 CB 1.700 50 residues pruned to eliminate duplicates Z: 50 43.558 2.293 0.867 0.516 0.898 0.592 CB 1.593 50 residues pruned to eliminate duplicates Z: 50 35.007 2.265 0.793 0.444 0.898 0.571 CB 1.452 50 residues pruned to eliminate duplicates Z: 45 34.982 2.302 0.670 0.487 0.886 0.659 CB 1.568 45 residues pruned to eliminate duplicates Z: 74 41.310 2.304 0.682 0.477 0.849 0.603 CB 1.504 74 residues pruned to eliminate duplicates Z: 70 45.390 2.252 0.733 0.444 0.913 0.551 CB 1.624 70 residues pruned to eliminate duplicates Z: 70 47.551 2.275 0.818 0.457 0.884 0.551 CB 1.637 70 residues pruned to eliminate duplicates Z: 98 58.744 2.286 0.916 0.469 0.897 0.577 CB 1.567 98 residues pruned to eliminate duplicates Z: 73 49.262 2.291 0.742 0.479 0.931 0.514 CB 1.597 73 residues pruned to eliminate duplicates Z: 45 35.050 2.273 0.656 0.506 0.932 0.614 CB 1.498 45 residues pruned to eliminate duplicates Z: 46 36.798 2.235 0.722 0.518 0.956 0.667 CB 1.464 46 residues pruned to eliminate duplicates Z: 94 53.690 2.328 0.765 0.492 0.882 0.581 CB 1.550 94 residues pruned to eliminate duplicates Z: 48 35.209 2.328 0.643 0.479 0.915 0.617 CB 1.498 48 residues pruned to eliminate duplicates Z: 37 21.568 2.129 0.443 0.419 0.944 0.583 CB 1.348 37 residues pruned to eliminate duplicates Z: 53 44.966 2.242 0.881 0.520 0.904 0.577 CB 1.604 53 residues pruned to eliminate duplicates Z: 71 46.112 2.262 0.734 0.506 0.886 0.629 CB 1.576 71 residues pruned to eliminate duplicates Z: 71 52.919 2.304 0.865 0.474 0.914 0.557 CB 1.654 71 residues pruned to eliminate duplicates Z: 51 35.699 2.286 0.719 0.443 0.900 0.580 CB 1.514 51 residues pruned to eliminate duplicates Z: 37 20.835 2.159 0.526 0.378 0.889 0.500 CB 1.351 37 residues pruned to eliminate duplicates Z: 76 41.949 2.303 0.741 0.464 0.840 0.653 CB 1.492 76 residues pruned to eliminate duplicates Z: 72 55.684 2.289 0.894 0.524 0.930 0.634 CB 1.602 72 residues pruned to eliminate duplicates Z: 65 52.948 2.333 0.870 0.505 0.938 0.641 CB 1.610 65 residues pruned to eliminate duplicates Z: 90 45.721 2.193 0.675 0.512 0.899 0.607 CB 1.450 90 residues pruned to eliminate duplicates Z: 72 51.795 2.310 0.894 0.475 0.887 0.592 CB 1.624 72 residues pruned to eliminate duplicates Z: 71 45.701 2.261 0.744 0.474 0.886 0.514 CB 1.605 71 residues pruned to eliminate duplicates Z: 72 47.103 2.253 0.790 0.477 0.915 0.606 CB 1.550 72 residues pruned to eliminate duplicates Z: 76 53.921 2.201 0.954 0.478 0.893 0.533 CB 1.658 76 residues pruned to eliminate duplicates Z: 49 40.243 2.322 0.818 0.467 0.938 0.542 CB 1.518 49 residues pruned to eliminate duplicates Z: 22 17.566 2.180 0.573 0.322 0.905 0.571 CB 1.504 22 residues pruned to eliminate duplicates Z: 75 48.815 2.358 0.795 0.484 0.878 0.622 CB 1.551 75 residues pruned to eliminate duplicates Z: 12 10.779 2.105 0.722 0.112 0.909 0.455 CA 1.612 12 residues pruned to eliminate duplicates Z: 26 14.631 2.066 0.538 0.278 0.840 0.360 CB 1.409 26 residues pruned to eliminate duplicates Z: 68 51.677 2.257 0.889 0.502 0.940 0.627 CB 1.571 68 residues pruned to eliminate duplicates Z: 8 11.671 1.748 0.392 0.842 1.000 0.571 CB 1.351 8 residues pruned to eliminate duplicates Z: 71 50.806 2.296 0.853 0.503 0.886 0.671 CB 1.607 71 residues pruned to eliminate duplicates Z: 63 37.563 2.174 0.849 0.388 0.935 0.565 CB 1.429 63 residues pruned to eliminate duplicates Z: 99 55.823 2.281 0.846 0.471 0.878 0.582 CB 1.571 99 residues pruned to eliminate duplicates Z: 98 62.797 2.330 0.820 0.509 0.918 0.557 CB 1.623 98 residues pruned to eliminate duplicates Z: 17 21.584 2.130 0.679 0.472 0.938 0.750 CB 1.656 17 residues pruned to eliminate duplicates Z: 93 59.802 2.341 0.879 0.513 0.891 0.620 CB 1.570 93 residues pruned to eliminate duplicates Z: 32 27.270 2.348 0.797 0.465 0.774 0.484 CB 1.553 32 residues pruned to eliminate duplicates Z: 31 32.300 2.331 1.081 0.438 0.833 0.500 CB 1.555 31 residues pruned to eliminate duplicates Z: 19 12.198 2.104 0.699 0.172 0.889 0.500 CB 1.346 19 residues pruned to eliminate duplicates Z: 57 42.190 2.303 0.834 0.474 0.911 0.500 CB 1.504 57 residues pruned to eliminate duplicates Z: 48 31.512 2.217 0.788 0.413 0.809 0.511 CB 1.571 48 residues pruned to eliminate duplicates Z: 27 33.840 2.398 0.846 0.574 0.885 0.385 CB 1.579 27 residues pruned to eliminate duplicates Z: 27 35.631 2.425 0.900 0.580 0.846 0.500 CB 1.659 27 residues pruned to eliminate duplicates Z: 25 41.120 2.497 0.973 0.619 0.917 0.583 CB 1.660 25 residues pruned to eliminate duplicates Z: 43 35.536 2.289 0.910 0.504 0.833 0.595 CB 1.500 43 residues pruned to eliminate duplicates Z: 27 33.471 2.419 1.003 0.585 0.846 0.577 CB 1.476 27 residues pruned to eliminate duplicates Z: 34 35.746 2.362 0.862 0.499 0.879 0.636 CB 1.612 34 residues pruned to eliminate duplicates Z: 45 38.573 2.261 0.825 0.430 0.932 0.636 CB 1.627 45 residues pruned to eliminate duplicates Z: 86 65.457 2.296 0.976 0.538 0.929 0.635 CB 1.623 86 residues pruned to eliminate duplicates Z: 32 33.593 2.370 0.940 0.493 0.871 0.484 CB 1.517 32 residues pruned to eliminate duplicates Z: 27 34.221 2.395 0.918 0.544 0.885 0.538 CB 1.582 27 residues pruned to eliminate duplicates Z: 28 32.784 2.375 0.955 0.536 0.852 0.444 CB 1.540 28 residues pruned to eliminate duplicates Z: 28 38.771 2.375 0.980 0.556 0.926 0.519 CB 1.622 28 residues pruned to eliminate duplicates Z: 33 34.831 2.364 0.817 0.502 0.875 0.688 CB 1.635 33 residues pruned to eliminate duplicates Z: 28 30.503 2.349 0.913 0.538 0.852 0.593 CB 1.476 28 residues pruned to eliminate duplicates Z: 15 9.706 2.103 0.731 0.328 0.714 0.571 CB 1.204 15 residues pruned to eliminate duplicates Z: 31 31.990 2.308 0.799 0.510 0.933 0.600 CB 1.492 31 residues pruned to eliminate duplicates Z: 28 33.638 2.392 0.858 0.541 0.852 0.370 CB 1.641 28 residues pruned to eliminate duplicates Z: 25 43.321 2.473 1.053 0.602 0.958 0.542 CB 1.649 25 residues pruned to eliminate duplicates Z: 26 42.207 2.467 1.127 0.606 0.880 0.720 CB 1.653 26 residues pruned to eliminate duplicates Z: 42 38.777 2.264 0.978 0.490 0.878 0.707 CB 1.556 42 residues pruned to eliminate duplicates Z: 41 32.572 2.240 0.608 0.502 0.925 0.600 CB 1.542 41 residues pruned to eliminate duplicates Z: 39 34.352 2.241 0.695 0.548 0.921 0.605 CB 1.520 39 residues pruned to eliminate duplicates Z: 15 11.580 1.851 0.318 0.535 0.929 0.643 CB 1.320 15 residues pruned to eliminate duplicates Z: 15 9.538 1.851 0.209 0.517 0.857 0.714 CB 1.306 15 residues pruned to eliminate duplicates Z: 13 10.835 1.893 0.237 0.547 1.000 0.583 CB 1.275 13 residues pruned to eliminate duplicates Z: 16 12.471 1.888 0.279 0.615 0.933 0.533 CB 1.281 16 residues pruned to eliminate duplicates Z: 52 35.870 2.132 0.582 0.590 0.961 0.647 CB 1.422 52 residues pruned to eliminate duplicates Z: 16 9.973 1.862 0.247 0.470 0.867 0.533 CB 1.320 16 residues pruned to eliminate duplicates Z: 52 35.495 2.111 0.590 0.573 0.961 0.725 CB 1.436 52 residues pruned to eliminate duplicates Z: 41 31.131 2.186 0.682 0.561 0.875 0.575 CB 1.442 41 residues pruned to eliminate duplicates Z: 78 50.021 2.224 0.711 0.572 0.935 0.714 CB 1.494 78 residues pruned to eliminate duplicates Z: 36 17.237 1.861 0.504 0.562 0.857 0.629 CB 1.143 36 residues pruned to eliminate duplicates Z: 54 34.612 2.144 0.513 0.584 0.962 0.679 CB 1.405 54 residues pruned to eliminate duplicates Z: 52 36.243 2.150 0.584 0.590 0.961 0.667 CB 1.423 52 residues pruned to eliminate duplicates Z: 53 31.841 2.115 0.460 0.564 0.981 0.654 CB 1.370 53 residues pruned to eliminate duplicates Z: 79 45.742 2.196 0.696 0.552 0.923 0.667 CB 1.432 79 residues pruned to eliminate duplicates Z: 52 36.256 2.143 0.581 0.551 0.980 0.686 CB 1.454 52 residues pruned to eliminate duplicates Z: 52 38.925 2.138 0.646 0.571 1.000 0.647 CB 1.447 52 residues pruned to eliminate duplicates Z: 78 50.794 2.234 0.811 0.563 0.922 0.675 CB 1.459 78 residues pruned to eliminate duplicates Z: 38 33.198 2.209 0.670 0.561 0.946 0.649 CB 1.474 38 residues pruned to eliminate duplicates Z: 53 34.125 2.128 0.521 0.561 0.942 0.654 CB 1.463 53 residues pruned to eliminate duplicates Z: 36 32.319 2.236 0.713 0.550 0.914 0.629 CB 1.486 36 residues pruned to eliminate duplicates Z: 50 32.464 2.141 0.513 0.522 0.959 0.694 CB 1.461 50 residues pruned to eliminate duplicates Z: 61 39.636 2.163 0.655 0.560 0.967 0.683 CB 1.394 61 residues pruned to eliminate duplicates Z: 38 28.766 2.212 0.618 0.539 0.865 0.703 CB 1.470 38 residues pruned to eliminate duplicates Z: 50 30.391 2.149 0.558 0.523 0.898 0.714 CB 1.412 50 residues pruned to eliminate duplicates Z: 76 42.715 2.234 0.621 0.534 0.907 0.653 CB 1.453 76 residues pruned to eliminate duplicates Z: 50 34.802 2.149 0.640 0.541 0.939 0.633 CB 1.443 50 residues pruned to eliminate duplicates Z: 50 30.970 2.149 0.509 0.546 0.918 0.694 CB 1.420 50 residues pruned to eliminate duplicates Z: 38 33.896 2.212 0.672 0.558 1.000 0.622 CB 1.423 38 residues pruned to eliminate duplicates Z: 52 33.496 2.132 0.565 0.585 0.961 0.706 CB 1.348 52 residues pruned to eliminate duplicates Z: 37 28.838 2.214 0.639 0.551 0.917 0.694 CB 1.374 37 residues pruned to eliminate duplicates Z: 36 35.505 2.261 0.757 0.580 0.971 0.686 CB 1.440 36 residues pruned to eliminate duplicates Z: 40 33.342 2.182 0.659 0.540 0.974 0.615 CB 1.456 40 residues pruned to eliminate duplicates Z: 51 33.109 2.134 0.663 0.529 0.940 0.620 CB 1.364 51 residues pruned to eliminate duplicates Z: 37 28.667 2.177 0.642 0.543 0.861 0.639 CB 1.487 37 residues pruned to eliminate duplicates Z: 39 33.021 2.172 0.775 0.515 0.947 0.579 CB 1.445 39 residues pruned to eliminate duplicates Z: 38 32.233 2.197 0.798 0.534 0.919 0.568 CB 1.411 38 residues pruned to eliminate duplicates Z: 36 37.514 2.258 0.794 0.559 1.000 0.600 CB 1.479 36 residues pruned to eliminate duplicates Z: 49 34.475 2.129 0.706 0.535 0.979 0.583 CB 1.352 49 residues pruned to eliminate duplicates Z: 37 36.971 2.235 0.852 0.581 0.944 0.722 CB 1.457 37 residues pruned to eliminate duplicates Z: 36 28.093 2.120 0.859 0.427 0.914 0.514 CB 1.422 36 residues pruned to eliminate duplicates Z: 58 28.021 2.071 0.540 0.459 0.877 0.579 CB 1.383 58 residues pruned to eliminate duplicates Z: 49 36.447 2.162 0.724 0.548 0.938 0.542 CB 1.437 49 residues pruned to eliminate duplicates Z: 6 3.160 1.868 0.695 0.227 0.600 0.400 CA 1.024 6 residues pruned to eliminate duplicates Z: 50 31.643 2.139 0.636 0.492 0.939 0.612 CB 1.388 50 residues pruned to eliminate duplicates Z: 37 37.575 2.236 0.841 0.586 0.972 0.583 CB 1.440 37 residues pruned to eliminate duplicates Z: 50 32.950 2.147 0.698 0.518 0.918 0.612 CB 1.381 50 residues pruned to eliminate duplicates Z: 50 34.630 2.115 0.824 0.550 0.918 0.612 CB 1.330 48 residues pruned to eliminate duplicates Z: 6 3.934 1.599 0.868 0.277 0.800 0.400 CA 0.947 6 residues pruned to eliminate duplicates 376 residues left after pruning, divided into chains as follows: A: 7 B: 130 C: 33 D: 57 E: 149 CC for partial structure against native data = 38.59 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.568, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.647, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.767, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.776, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.787, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.790, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.794, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.796, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.797, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.797, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2132 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 504 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 29.316 2.221 0.740 0.870 0.923 0.769 CB 1.663 B: 13 29.534 2.425 0.402 0.922 1.000 0.917 CB 1.763 14 residues pruned to eliminate duplicates C: 12 32.390 2.463 0.690 0.882 0.909 0.727 CA 1.868 D: 44 63.924 2.552 1.040 0.564 0.953 0.605 CB 1.846 12 residues pruned to eliminate duplicates E: 18 27.086 2.202 0.570 0.766 0.882 0.765 CB 1.701 18 residues pruned to eliminate duplicates F: 15 28.469 2.300 0.697 0.844 0.857 0.786 CB 1.692 15 residues pruned to eliminate duplicates G: 8 15.293 2.262 0.344 0.807 0.857 0.571 CA 1.697 8 residues pruned to eliminate duplicates H: 11 29.194 2.468 0.651 0.862 0.900 0.700 CA 1.847 11 residues pruned to eliminate duplicates I: 13 30.722 2.404 0.620 0.901 0.917 0.833 CB 1.773 13 residues pruned to eliminate duplicates J: 16 23.287 2.241 0.413 0.745 1.000 0.667 CB 1.524 K: 17 25.279 2.062 0.542 0.786 0.875 0.750 CB 1.767 L: 27 43.578 2.377 1.122 0.693 0.962 0.615 CB 1.477 M: 10 20.612 2.001 0.798 0.853 0.889 0.667 CA 1.588 8 residues pruned to eliminate duplicates N: 13 22.301 2.254 0.198 0.933 1.000 0.917 CB 1.664 13 residues pruned to eliminate duplicates O: 14 28.799 2.360 0.776 0.841 0.846 0.769 CA 1.680 14 residues pruned to eliminate duplicates P: 28 46.262 2.310 1.272 0.651 0.963 0.556 CB 1.531 27 residues pruned to eliminate duplicates Q: 15 40.315 2.236 1.101 0.877 0.929 0.714 CA 1.793 R: 11 41.595 2.515 0.939 0.841 1.000 0.800 CA 2.011 11 residues pruned to eliminate duplicates S: 9 14.337 1.894 0.736 0.532 1.000 0.375 CB 1.495 T: 101 73.597 2.454 0.919 0.507 0.890 0.650 CB 1.743 84 residues pruned to eliminate duplicates U: 9 29.787 2.239 0.816 0.892 1.000 0.750 CA 1.860 V: 13 34.807 2.300 0.832 0.887 0.917 0.750 CB 1.875 13 residues pruned to eliminate duplicates W: 50 29.259 2.138 0.500 0.519 0.939 0.694 CB 1.362 20 residues pruned to eliminate duplicates X: 13 45.776 2.465 1.095 0.896 1.000 0.583 CB 1.833 14 residues pruned to eliminate duplicates Y: 26 45.897 2.390 1.110 0.691 1.000 0.600 CB 1.529 26 residues pruned to eliminate duplicates Z: 36 38.501 2.417 0.810 0.436 0.857 0.514 CB 1.855 45 residues pruned to eliminate duplicates Z: 12 28.600 2.282 0.717 0.836 1.000 0.818 CA 1.646 Z: 58 42.129 2.270 0.876 0.494 0.877 0.579 CB 1.503 58 residues pruned to eliminate duplicates Z: 14 20.783 2.312 0.385 0.776 0.846 0.692 CB 1.668 14 residues pruned to eliminate duplicates Z: 19 30.007 2.066 0.622 0.819 1.000 0.500 CB 1.600 Z: 16 21.741 2.190 0.375 0.792 1.000 0.867 CB 1.443 Z: 14 32.845 2.291 0.959 0.900 0.846 0.769 CB 1.714 14 residues pruned to eliminate duplicates Z: 8 20.155 2.437 0.467 0.848 0.857 0.714 CA 1.843 Z: 27 40.924 2.358 1.237 0.688 0.885 0.577 CB 1.448 27 residues pruned to eliminate duplicates Z: 17 17.687 2.037 0.411 0.879 0.938 0.688 CB 1.190 17 residues pruned to eliminate duplicates Z: 54 32.879 2.078 0.638 0.515 0.925 0.566 CB 1.414 47 residues pruned to eliminate duplicates Z: 15 29.348 2.215 0.690 0.798 0.929 0.786 CB 1.738 15 residues pruned to eliminate duplicates Z: 13 35.168 2.395 0.812 0.918 0.917 0.917 CB 1.800 13 residues pruned to eliminate duplicates Z: 11 47.635 2.490 1.213 0.908 1.000 0.800 CB 1.941 11 residues pruned to eliminate duplicates Z: 37 32.455 2.255 0.654 0.552 0.972 0.583 CB 1.417 37 residues pruned to eliminate duplicates Z: 16 31.455 2.271 0.973 0.859 0.867 0.733 CB 1.539 16 residues pruned to eliminate duplicates Z: 14 45.007 2.324 1.202 0.912 0.923 0.615 CB 1.872 14 residues pruned to eliminate duplicates Z: 17 25.975 2.087 0.420 0.821 1.000 0.625 CA 1.658 17 residues pruned to eliminate duplicates Z: 10 23.055 1.994 0.637 0.867 1.000 0.889 CA 1.722 8 residues pruned to eliminate duplicates Z: 13 34.605 2.427 0.738 0.865 0.917 0.833 CB 1.893 13 residues pruned to eliminate duplicates Z: 8 18.982 2.035 0.762 0.728 1.000 0.571 N 1.630 8 residues pruned to eliminate duplicates Z: 16 25.833 2.121 0.575 0.845 0.867 0.667 CA 1.712 16 residues pruned to eliminate duplicates Z: 40 34.031 2.193 0.731 0.530 0.923 0.615 CB 1.509 40 residues pruned to eliminate duplicates Z: 14 36.058 2.191 0.830 0.883 1.000 0.846 CA 1.805 14 residues pruned to eliminate duplicates Z: 12 21.768 2.390 0.180 0.915 1.000 0.818 CB 1.644 12 residues pruned to eliminate duplicates Z: 12 20.690 1.909 0.717 0.787 1.000 0.455 CA 1.480 Z: 13 33.333 2.494 0.580 0.915 1.000 0.917 CB 1.725 13 residues pruned to eliminate duplicates Z: 49 33.650 2.219 0.523 0.560 0.896 0.688 CB 1.514 28 residues pruned to eliminate duplicates Z: 11 16.830 2.037 0.544 0.790 0.800 0.700 CB 1.640 11 residues pruned to eliminate duplicates Z: 16 22.766 1.963 0.593 0.853 0.933 0.800 CA 1.489 Z: 50 33.467 2.171 0.616 0.539 0.918 0.714 CB 1.428 52 residues pruned to eliminate duplicates Z: 6 5.093 1.919 0.148 0.713 0.800 0.600 CA 1.065 Z: 27 45.830 2.366 1.188 0.662 0.962 0.654 CB 1.554 27 residues pruned to eliminate duplicates Z: 13 26.280 2.272 0.576 0.891 1.000 0.917 CA 1.524 14 residues pruned to eliminate duplicates Z: 8 8.150 1.854 0.731 0.527 0.714 0.571 C 1.309 Z: 19 30.414 2.116 0.700 0.799 1.000 0.444 CB 1.535 19 residues pruned to eliminate duplicates Z: 7 6.201 1.878 0.441 0.734 0.667 0.500 CA 1.137 Z: 10 16.685 2.072 0.448 0.828 0.889 0.556 CB 1.570 10 residues pruned to eliminate duplicates Z: 9 14.325 2.174 0.237 0.781 0.875 0.500 CB 1.680 9 residues pruned to eliminate duplicates Z: 14 42.687 2.262 1.036 0.892 1.000 0.769 CB 1.846 14 residues pruned to eliminate duplicates Z: 15 31.609 2.137 0.855 0.873 0.929 0.857 CB 1.672 15 residues pruned to eliminate duplicates Z: 10 19.030 2.064 0.368 0.807 1.000 0.556 CB 1.718 10 residues pruned to eliminate duplicates Z: 67 66.524 2.574 0.871 0.512 0.879 0.621 CB 1.913 67 residues pruned to eliminate duplicates Z: 11 16.493 2.121 0.212 0.870 0.900 0.700 CB 1.645 11 residues pruned to eliminate duplicates Z: 15 14.781 2.093 0.272 0.751 0.786 0.786 CB 1.510 15 residues pruned to eliminate duplicates Z: 16 24.258 2.179 0.386 0.836 0.933 0.733 CB 1.663 16 residues pruned to eliminate duplicates Z: 89 66.594 2.495 0.843 0.478 0.875 0.636 CB 1.805 89 residues pruned to eliminate duplicates Z: 31 41.907 2.198 1.342 0.614 0.933 0.533 CB 1.430 28 residues pruned to eliminate duplicates Z: 16 24.176 2.206 0.510 0.848 0.800 0.667 CA 1.738 32 residues pruned to eliminate duplicates Z: 40 30.804 2.088 0.779 0.441 0.923 0.513 CB 1.529 19 residues pruned to eliminate duplicates Z: 11 17.317 2.401 0.816 0.449 0.800 0.500 CA 1.655 11 residues pruned to eliminate duplicates Z: 11 14.572 2.067 0.250 0.835 0.900 0.500 CB 1.485 11 residues pruned to eliminate duplicates Z: 50 57.414 2.578 0.892 0.471 0.939 0.551 CB 1.845 50 residues pruned to eliminate duplicates Z: 17 33.074 2.210 0.795 0.847 1.000 0.562 CB 1.547 19 residues pruned to eliminate duplicates Z: 111 73.568 2.426 0.894 0.471 0.918 0.591 CB 1.713 112 residues pruned to eliminate duplicates Z: 77 65.535 2.496 0.860 0.468 0.908 0.579 CB 1.842 77 residues pruned to eliminate duplicates Z: 16 25.693 2.041 0.835 0.830 0.800 0.600 CA 1.664 14 residues pruned to eliminate duplicates Z: 12 29.537 2.190 0.805 0.844 0.909 0.727 CB 1.844 Z: 12 27.253 2.311 0.664 0.915 0.909 0.909 CA 1.660 12 residues pruned to eliminate duplicates Z: 12 28.058 2.378 0.601 0.903 0.909 0.818 CB 1.741 12 residues pruned to eliminate duplicates Z: 6 8.807 2.225 0.413 0.563 0.800 0.400 CA 1.472 6 residues pruned to eliminate duplicates Z: 16 22.543 2.140 0.658 0.908 0.933 0.733 CB 1.248 16 residues pruned to eliminate duplicates Z: 12 39.650 2.403 1.019 0.879 1.000 0.909 CA 1.787 12 residues pruned to eliminate duplicates Z: 17 22.093 2.152 0.311 0.815 0.938 0.438 CB 1.588 16 residues pruned to eliminate duplicates Z: 50 36.849 2.176 0.675 0.589 0.898 0.755 CB 1.477 50 residues pruned to eliminate duplicates Z: 53 33.655 2.106 0.642 0.523 0.923 0.596 CB 1.428 52 residues pruned to eliminate duplicates Z: 16 24.059 2.079 0.601 0.804 0.867 0.533 CB 1.651 16 residues pruned to eliminate duplicates Z: 16 32.532 2.067 0.810 0.840 0.933 0.667 CB 1.796 28 residues pruned to eliminate duplicates Z: 16 27.001 2.113 0.513 0.868 1.000 0.667 CB 1.593 16 residues pruned to eliminate duplicates Z: 13 22.976 2.358 0.426 0.791 0.917 0.833 CB 1.666 14 residues pruned to eliminate duplicates Z: 13 36.646 2.272 0.895 0.885 1.000 0.833 CB 1.774 15 residues pruned to eliminate duplicates Z: 11 22.001 2.361 0.413 0.902 1.000 0.800 CB 1.487 11 residues pruned to eliminate duplicates Z: 20 23.173 2.127 0.876 0.783 0.842 0.684 CB 1.233 20 residues pruned to eliminate duplicates Z: 21 26.034 2.100 0.778 0.621 0.900 0.800 CB 1.545 22 residues pruned to eliminate duplicates Z: 18 18.021 2.089 0.178 0.793 0.941 0.706 CB 1.459 17 residues pruned to eliminate duplicates Z: 13 21.837 2.296 0.473 0.820 0.917 0.833 CB 1.540 13 residues pruned to eliminate duplicates Z: 60 54.361 2.388 1.016 0.510 0.898 0.644 CB 1.620 60 residues pruned to eliminate duplicates Z: 61 47.732 2.291 0.769 0.490 0.950 0.567 CB 1.617 34 residues pruned to eliminate duplicates Z: 17 20.010 2.030 0.495 0.909 1.000 0.750 CB 1.170 17 residues pruned to eliminate duplicates Z: 21 31.031 2.330 0.895 0.628 0.950 0.700 CB 1.466 21 residues pruned to eliminate duplicates Z: 71 53.478 2.379 0.797 0.468 0.900 0.600 CB 1.716 71 residues pruned to eliminate duplicates Z: 85 71.081 2.462 1.056 0.480 0.917 0.643 CB 1.705 85 residues pruned to eliminate duplicates Z: 13 33.829 2.335 1.050 0.890 0.917 0.667 CB 1.601 13 residues pruned to eliminate duplicates Z: 18 24.073 2.162 0.518 0.794 0.882 0.588 CB 1.558 18 residues pruned to eliminate duplicates Z: 12 8.616 1.830 0.585 0.402 0.727 0.545 CB 1.365 Z: 13 35.054 2.286 0.901 0.865 1.000 0.750 CA 1.706 13 residues pruned to eliminate duplicates Z: 17 20.752 2.028 0.469 0.839 0.875 0.750 CA 1.487 17 residues pruned to eliminate duplicates Z: 22 21.895 2.222 0.749 0.408 0.857 0.381 CB 1.580 22 residues pruned to eliminate duplicates Z: 13 26.565 2.246 0.880 0.873 0.917 0.667 CB 1.443 12 residues pruned to eliminate duplicates Z: 14 36.438 2.299 0.975 0.838 0.923 0.615 CA 1.803 14 residues pruned to eliminate duplicates Z: 16 26.263 2.295 0.661 0.848 0.867 0.600 CB 1.523 15 residues pruned to eliminate duplicates Z: 31 40.635 2.484 0.905 0.431 0.900 0.533 CB 1.871 31 residues pruned to eliminate duplicates Z: 25 24.438 2.257 0.663 0.376 0.958 0.667 CB 1.584 25 residues pruned to eliminate duplicates Z: 10 13.365 2.011 0.989 0.583 0.778 0.556 CA 1.322 10 residues pruned to eliminate duplicates Z: 14 30.810 2.373 0.676 0.843 1.000 0.615 CB 1.599 14 residues pruned to eliminate duplicates Z: 25 47.679 2.358 1.297 0.692 1.000 0.667 CB 1.508 25 residues pruned to eliminate duplicates Z: 123 79.120 2.467 0.938 0.464 0.893 0.631 CB 1.740 138 residues pruned to eliminate duplicates Z: 18 18.411 2.021 0.277 0.782 0.882 0.647 CB 1.529 18 residues pruned to eliminate duplicates Z: 16 17.998 2.076 0.387 0.772 1.000 0.800 CB 1.269 16 residues pruned to eliminate duplicates Z: 12 39.833 2.226 1.302 0.886 1.000 0.727 CA 1.691 12 residues pruned to eliminate duplicates Z: 32 30.377 2.181 0.957 0.428 0.903 0.645 CB 1.524 32 residues pruned to eliminate duplicates Z: 113 77.657 2.464 0.969 0.476 0.902 0.661 CB 1.718 113 residues pruned to eliminate duplicates Z: 18 18.169 1.972 0.332 0.782 0.824 0.647 CA 1.589 18 residues pruned to eliminate duplicates Z: 10 11.651 1.914 0.576 0.453 0.889 0.333 CB 1.520 10 residues pruned to eliminate duplicates Z: 19 19.499 2.103 0.415 0.746 0.889 0.611 CB 1.394 19 residues pruned to eliminate duplicates Z: 26 36.302 2.397 0.921 0.589 0.880 0.640 CB 1.645 26 residues pruned to eliminate duplicates Z: 52 32.544 2.152 0.519 0.577 0.863 0.627 CB 1.500 50 residues pruned to eliminate duplicates Z: 35 45.684 2.556 0.896 0.447 0.912 0.529 CB 1.872 35 residues pruned to eliminate duplicates Z: 52 35.927 2.255 0.765 0.437 0.922 0.490 CB 1.464 45 residues pruned to eliminate duplicates Z: 10 16.355 2.098 0.506 0.859 0.889 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 50 48.620 2.506 0.761 0.445 0.898 0.551 CB 1.856 50 residues pruned to eliminate duplicates Z: 29 34.830 2.309 0.855 0.549 0.893 0.571 CB 1.641 29 residues pruned to eliminate duplicates Z: 12 21.856 2.317 0.261 0.943 1.000 1.000 CB 1.563 12 residues pruned to eliminate duplicates Z: 15 18.779 1.975 0.684 0.899 0.929 0.857 CB 1.162 Z: 61 41.863 2.138 0.914 0.466 0.900 0.600 CB 1.519 61 residues pruned to eliminate duplicates Z: 15 32.045 2.358 0.703 0.801 1.000 0.643 CB 1.639 15 residues pruned to eliminate duplicates Z: 21 22.581 2.145 0.465 0.678 0.900 0.800 CB 1.514 21 residues pruned to eliminate duplicates Z: 18 28.541 2.190 0.680 0.809 1.000 0.412 CB 1.438 18 residues pruned to eliminate duplicates Z: 11 19.862 2.049 0.473 0.816 1.000 0.400 CB 1.581 11 residues pruned to eliminate duplicates Z: 14 22.943 2.181 0.706 0.938 1.000 0.538 CB 1.189 14 residues pruned to eliminate duplicates Z: 18 32.475 2.170 0.768 0.807 1.000 0.765 CB 1.571 17 residues pruned to eliminate duplicates Z: 15 25.891 2.059 0.929 0.925 1.000 1.000 CB 1.223 15 residues pruned to eliminate duplicates Z: 8 12.594 1.913 0.405 0.868 1.000 0.714 CB 1.295 8 residues pruned to eliminate duplicates Z: 114 55.196 2.247 0.786 0.473 0.867 0.549 CB 1.533 106 residues pruned to eliminate duplicates Z: 16 22.245 2.132 0.553 0.912 0.933 0.867 CB 1.316 16 residues pruned to eliminate duplicates Z: 9 9.472 1.974 0.824 0.507 0.750 0.750 CB 1.232 9 residues pruned to eliminate duplicates Z: 52 51.879 2.530 0.817 0.450 0.902 0.549 CB 1.844 52 residues pruned to eliminate duplicates Z: 16 25.844 2.234 0.521 0.847 0.867 0.600 CB 1.683 16 residues pruned to eliminate duplicates Z: 26 42.431 2.455 0.960 0.602 0.880 0.680 CA 1.818 26 residues pruned to eliminate duplicates Z: 28 32.029 2.296 0.917 0.569 0.852 0.667 CB 1.538 29 residues pruned to eliminate duplicates Z: 85 49.383 2.226 0.744 0.507 0.893 0.524 CB 1.544 93 residues pruned to eliminate duplicates Z: 15 25.820 2.022 0.657 0.853 0.929 0.714 CB 1.639 15 residues pruned to eliminate duplicates Z: 7 6.607 1.787 0.853 0.549 0.667 0.667 CB 1.166 7 residues pruned to eliminate duplicates Z: 74 43.592 2.330 0.681 0.480 0.863 0.575 CB 1.540 74 residues pruned to eliminate duplicates Z: 12 40.098 2.371 1.084 0.871 1.000 0.727 CB 1.785 12 residues pruned to eliminate duplicates Z: 14 30.568 2.206 0.848 0.864 0.923 0.769 CA 1.651 14 residues pruned to eliminate duplicates Z: 14 27.047 2.405 0.380 0.874 0.923 0.769 CB 1.782 14 residues pruned to eliminate duplicates Z: 15 22.331 2.078 0.917 0.905 0.857 0.643 CB 1.244 15 residues pruned to eliminate duplicates Z: 20 25.764 2.147 0.821 0.611 0.895 0.474 CB 1.520 20 residues pruned to eliminate duplicates Z: 13 10.448 2.176 0.513 0.451 0.917 0.417 CB 1.051 13 residues pruned to eliminate duplicates Z: 20 8.579 1.813 0.392 0.426 0.737 0.632 CB 1.143 9 residues pruned to eliminate duplicates Z: 45 41.011 2.499 0.752 0.446 0.841 0.545 CB 1.775 45 residues pruned to eliminate duplicates Z: 19 30.232 2.053 1.250 0.791 1.000 0.389 CB 1.195 15 residues pruned to eliminate duplicates Z: 41 26.507 2.141 0.500 0.529 0.875 0.600 CB 1.450 41 residues pruned to eliminate duplicates Z: 9 9.570 1.771 0.585 0.447 1.000 0.750 CA 1.272 9 residues pruned to eliminate duplicates Z: 9 9.301 1.538 0.415 0.897 1.000 1.000 CB 1.082 Z: 19 27.746 2.223 0.382 0.780 1.000 0.722 CB 1.662 19 residues pruned to eliminate duplicates Z: 17 14.755 2.005 0.235 0.747 0.812 0.562 CB 1.470 17 residues pruned to eliminate duplicates Z: 16 22.755 2.148 0.541 0.935 1.000 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 35 34.072 2.109 0.922 0.586 0.912 0.559 CB 1.456 31 residues pruned to eliminate duplicates Z: 7 8.718 1.579 0.342 0.896 1.000 1.000 CB 1.203 8 residues pruned to eliminate duplicates Z: 26 15.902 1.733 0.496 0.579 0.920 0.640 CB 1.236 10 residues pruned to eliminate duplicates Z: 34 15.750 1.798 0.454 0.471 0.879 0.636 CB 1.229 37 residues pruned to eliminate duplicates Z: 9 9.405 1.535 0.411 0.875 1.000 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 114 72.359 2.477 0.806 0.477 0.894 0.611 CB 1.742 114 residues pruned to eliminate duplicates Z: 8 10.015 1.905 0.331 0.850 0.857 0.714 CB 1.290 8 residues pruned to eliminate duplicates Z: 12 32.694 2.384 0.796 0.881 1.000 0.818 CA 1.668 12 residues pruned to eliminate duplicates Z: 8 5.584 1.807 0.340 0.485 0.857 0.429 CB 1.032 8 residues pruned to eliminate duplicates Z: 10 7.278 1.914 0.497 0.480 0.667 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 94 65.750 2.356 0.857 0.524 0.914 0.624 CB 1.665 106 residues pruned to eliminate duplicates Z: 14 29.490 2.118 0.880 0.868 0.923 0.769 CB 1.627 14 residues pruned to eliminate duplicates Z: 7 8.073 1.744 0.102 0.884 1.000 0.833 CB 1.239 7 residues pruned to eliminate duplicates Z: 14 33.075 2.222 0.847 0.872 0.923 0.769 CB 1.765 14 residues pruned to eliminate duplicates Z: 33 36.087 2.287 0.866 0.544 0.938 0.656 CB 1.527 33 residues pruned to eliminate duplicates Z: 48 49.616 2.558 0.856 0.448 0.872 0.596 CB 1.843 48 residues pruned to eliminate duplicates Z: 6 11.789 1.972 0.395 0.877 1.000 0.800 CA 1.392 7 residues pruned to eliminate duplicates Z: 28 33.133 2.411 1.018 0.501 0.889 0.630 CB 1.473 28 residues pruned to eliminate duplicates Z: 65 53.781 2.293 0.798 0.551 0.953 0.703 CB 1.627 65 residues pruned to eliminate duplicates Z: 10 12.210 1.845 0.350 0.876 0.889 0.778 CB 1.335 10 residues pruned to eliminate duplicates Z: 14 22.269 2.059 0.588 0.920 0.923 0.846 CB 1.441 14 residues pruned to eliminate duplicates Z: 33 30.074 2.194 0.894 0.409 0.938 0.562 CB 1.502 33 residues pruned to eliminate duplicates Z: 144 74.950 2.358 0.874 0.458 0.909 0.601 CB 1.629 151 residues pruned to eliminate duplicates Z: 70 48.017 2.193 0.868 0.507 0.913 0.551 CB 1.535 70 residues pruned to eliminate duplicates Z: 20 13.134 1.977 0.614 0.407 0.895 0.632 CB 1.163 20 residues pruned to eliminate duplicates Z: 12 28.965 2.370 0.571 0.876 1.000 0.727 CB 1.704 12 residues pruned to eliminate duplicates Z: 29 27.017 2.145 1.080 0.570 0.857 0.500 CB 1.248 29 residues pruned to eliminate duplicates Z: 13 17.996 1.929 0.995 0.468 0.917 0.583 CA 1.522 13 residues pruned to eliminate duplicates Z: 9 10.308 1.755 0.389 0.857 0.875 0.750 CA 1.260 9 residues pruned to eliminate duplicates Z: 69 66.476 2.550 0.938 0.482 0.868 0.603 CB 1.914 69 residues pruned to eliminate duplicates Z: 37 36.998 2.379 0.806 0.436 0.889 0.667 CB 1.724 37 residues pruned to eliminate duplicates Z: 13 10.794 1.582 0.429 0.816 0.917 0.583 CB 1.142 13 residues pruned to eliminate duplicates Z: 28 31.867 2.216 0.967 0.545 0.852 0.667 CB 1.580 28 residues pruned to eliminate duplicates Z: 8 6.662 1.857 0.724 0.300 0.714 0.714 CB 1.376 Z: 18 8.605 1.822 0.494 0.428 0.765 0.588 CB 1.080 18 residues pruned to eliminate duplicates Z: 18 21.461 2.168 0.392 0.804 0.882 0.588 CB 1.498 18 residues pruned to eliminate duplicates Z: 32 25.857 2.086 0.811 0.479 0.871 0.581 CB 1.442 32 residues pruned to eliminate duplicates Z: 19 17.086 2.238 0.493 0.520 0.778 0.500 CB 1.520 19 residues pruned to eliminate duplicates Z: 97 75.191 2.544 0.834 0.504 0.885 0.583 CB 1.851 97 residues pruned to eliminate duplicates Z: 10 9.031 1.695 0.314 0.815 0.778 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 11 11.019 1.983 0.389 0.430 0.900 0.600 CB 1.511 11 residues pruned to eliminate duplicates Z: 10 7.064 1.609 0.812 0.481 1.000 0.444 CB 0.823 Z: 6 8.961 2.118 0.137 0.703 1.000 0.800 CA 1.383 6 residues pruned to eliminate duplicates Z: 13 30.486 2.349 0.652 0.856 0.917 0.833 CB 1.824 13 residues pruned to eliminate duplicates Z: 14 12.392 1.831 0.681 0.447 0.846 0.769 CB 1.394 8 residues pruned to eliminate duplicates Z: 10 11.560 1.837 0.072 0.878 1.000 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 52 27.304 1.952 0.544 0.557 0.882 0.667 CB 1.360 51 residues pruned to eliminate duplicates Z: 7 5.780 1.817 0.003 0.526 1.000 0.667 CB 1.262 Z: 54 31.713 2.119 0.498 0.566 0.906 0.660 CB 1.422 52 residues pruned to eliminate duplicates Z: 22 17.897 2.111 0.678 0.391 0.952 0.762 CB 1.300 22 residues pruned to eliminate duplicates Z: 24 29.042 2.327 0.723 0.648 0.870 0.696 CB 1.513 24 residues pruned to eliminate duplicates Z: 75 62.415 2.514 0.865 0.483 0.892 0.622 CB 1.765 75 residues pruned to eliminate duplicates Z: 34 38.213 2.276 0.967 0.503 0.970 0.545 CB 1.528 34 residues pruned to eliminate duplicates Z: 10 10.025 1.834 -0.074 0.878 1.000 0.778 CB 1.428 10 residues pruned to eliminate duplicates Z: 19 18.223 2.080 0.939 0.277 0.944 0.667 CB 1.452 19 residues pruned to eliminate duplicates Z: 15 21.345 2.003 0.842 0.893 0.929 0.643 CB 1.195 15 residues pruned to eliminate duplicates Z: 60 60.776 2.471 0.931 0.538 0.898 0.678 CB 1.778 60 residues pruned to eliminate duplicates Z: 8 10.356 1.848 0.129 0.856 1.000 0.857 CB 1.384 8 residues pruned to eliminate duplicates Z: 11 15.639 2.099 0.073 0.859 1.000 0.600 CB 1.616 11 residues pruned to eliminate duplicates Z: 7 8.792 1.861 0.319 0.804 1.000 0.833 CB 1.121 7 residues pruned to eliminate duplicates Z: 42 37.084 2.181 0.791 0.575 0.951 0.634 CB 1.450 40 residues pruned to eliminate duplicates Z: 12 4.534 1.822 0.018 0.522 0.818 0.636 CB 0.881 Z: 7 5.464 1.795 0.740 0.533 0.833 0.833 CB 0.830 7 residues pruned to eliminate duplicates Z: 30 39.384 2.257 1.050 0.513 0.931 0.552 CB 1.677 30 residues pruned to eliminate duplicates Z: 27 24.618 2.102 0.850 0.421 0.962 0.577 CB 1.401 27 residues pruned to eliminate duplicates Z: 7 8.723 1.769 0.368 0.623 1.000 0.500 CA 1.310 7 residues pruned to eliminate duplicates Z: 50 54.517 2.580 0.912 0.447 0.898 0.571 CB 1.858 50 residues pruned to eliminate duplicates Z: 74 47.092 2.310 0.817 0.482 0.890 0.507 CB 1.502 74 residues pruned to eliminate duplicates Z: 25 15.215 1.973 0.244 0.507 0.917 0.750 CB 1.371 39 residues pruned to eliminate duplicates Z: 18 16.334 2.116 0.597 0.785 0.765 0.471 CB 1.193 18 residues pruned to eliminate duplicates Z: 16 17.551 2.187 0.574 0.444 0.933 0.533 CB 1.494 16 residues pruned to eliminate duplicates Z: 8 9.742 1.602 0.324 0.917 1.000 0.857 CB 1.226 8 residues pruned to eliminate duplicates Z: 19 31.967 1.977 1.070 0.645 1.000 0.778 CB 1.607 19 residues pruned to eliminate duplicates Z: 16 19.118 2.133 0.447 0.891 0.933 0.867 CB 1.232 16 residues pruned to eliminate duplicates Z: 9 10.908 1.904 0.043 0.869 1.000 0.875 CB 1.420 9 residues pruned to eliminate duplicates Z: 82 48.250 2.214 0.698 0.564 0.926 0.630 CB 1.448 87 residues pruned to eliminate duplicates Z: 36 46.302 2.520 0.975 0.534 0.886 0.571 CB 1.717 36 residues pruned to eliminate duplicates Z: 27 24.997 2.020 0.515 0.650 0.962 0.769 CB 1.449 27 residues pruned to eliminate duplicates Z: 15 14.524 2.001 0.518 0.537 0.857 0.643 CB 1.438 15 residues pruned to eliminate duplicates Z: 18 13.987 2.041 0.293 0.664 0.824 0.824 CB 1.341 18 residues pruned to eliminate duplicates Z: 18 26.963 2.336 0.813 0.430 0.824 0.588 CA 2.017 18 residues pruned to eliminate duplicates Z: 26 26.436 2.179 0.585 0.667 0.880 0.760 CB 1.491 26 residues pruned to eliminate duplicates Z: 40 31.934 2.214 0.587 0.545 0.949 0.692 CB 1.467 40 residues pruned to eliminate duplicates Z: 6 4.559 1.673 0.713 0.382 0.600 0.400 CB 1.344 Z: 44 32.303 2.233 0.632 0.515 0.884 0.628 CB 1.506 44 residues pruned to eliminate duplicates Z: 10 15.960 2.064 0.531 0.739 0.778 0.444 CA 1.747 10 residues pruned to eliminate duplicates Z: 65 36.955 2.224 0.828 0.430 0.844 0.641 CB 1.448 65 residues pruned to eliminate duplicates Z: 14 10.223 1.490 0.454 0.805 0.923 0.538 CB 1.087 14 residues pruned to eliminate duplicates Z: 15 16.738 2.040 0.722 0.546 0.857 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 14 19.848 2.040 0.526 0.692 1.000 0.692 CB 1.483 14 residues pruned to eliminate duplicates Z: 6 4.906 1.912 -0.016 0.830 1.000 1.000 CB 0.877 6 residues pruned to eliminate duplicates Z: 30 33.819 2.467 0.694 0.357 0.931 0.517 CB 1.883 36 residues pruned to eliminate duplicates Z: 16 16.578 2.051 0.436 0.857 0.867 0.733 CB 1.236 16 residues pruned to eliminate duplicates Z: 38 38.963 2.392 0.932 0.539 0.838 0.568 CB 1.593 38 residues pruned to eliminate duplicates Z: 8 7.978 1.674 0.273 0.622 1.000 0.857 CB 1.262 6 residues pruned to eliminate duplicates Z: 20 25.557 2.311 0.284 0.823 0.947 0.789 CB 1.576 20 residues pruned to eliminate duplicates Z: 10 18.963 2.184 0.242 0.905 1.000 0.778 CB 1.658 10 residues pruned to eliminate duplicates 12 1.217 1.291 0.673 0.138 0.727 0.182 CB 0.366 ? Z: 10 7.359 1.484 0.437 0.905 0.889 0.444 CB 0.921 10 residues pruned to eliminate duplicates Z: 19 5.885 1.550 0.272 0.328 0.833 0.389 CB 1.019 Z: 14 29.127 2.382 0.476 0.819 1.000 0.615 CB 1.742 14 residues pruned to eliminate duplicates Z: 14 9.358 1.626 0.524 0.521 0.923 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 72 51.014 2.276 0.819 0.511 0.915 0.676 CB 1.580 72 residues pruned to eliminate duplicates Z: 8 10.620 1.767 0.543 0.675 0.857 0.857 CA 1.462 8 residues pruned to eliminate duplicates Z: 26 24.717 2.186 0.720 0.416 1.000 0.640 CB 1.436 26 residues pruned to eliminate duplicates Z: 8 12.808 1.814 0.762 0.878 1.000 1.000 CB 1.099 8 residues pruned to eliminate duplicates Z: 42 31.506 2.097 0.690 0.543 0.951 0.659 CB 1.399 42 residues pruned to eliminate duplicates Z: 73 61.091 2.553 0.786 0.476 0.875 0.597 CB 1.848 73 residues pruned to eliminate duplicates Z: 7 8.339 1.769 0.649 0.525 0.833 0.667 N 1.367 Z: 11 11.820 1.731 0.176 0.809 1.000 0.700 CB 1.404 11 residues pruned to eliminate duplicates Z: 12 11.630 1.699 0.154 0.839 0.909 0.545 CB 1.469 12 residues pruned to eliminate duplicates Z: 13 11.306 2.024 0.577 0.293 0.833 0.583 CA 1.547 13 residues pruned to eliminate duplicates Z: 17 28.181 2.340 0.401 0.766 1.000 0.562 CB 1.698 17 residues pruned to eliminate duplicates Z: 14 21.475 2.059 1.058 0.924 0.846 0.154 CB 1.167 14 residues pruned to eliminate duplicates Z: 11 11.286 1.702 0.390 0.785 1.000 0.700 CB 1.174 11 residues pruned to eliminate duplicates Z: 21 19.795 2.040 0.623 0.782 0.950 0.600 CB 1.097 21 residues pruned to eliminate duplicates Z: 13 35.334 2.333 0.680 0.883 1.000 0.833 CB 1.881 13 residues pruned to eliminate duplicates Z: 64 49.742 2.231 0.878 0.473 0.952 0.651 CB 1.615 64 residues pruned to eliminate duplicates Z: 10 13.774 1.853 0.348 0.856 1.000 0.667 CB 1.356 10 residues pruned to eliminate duplicates Z: 13 24.410 2.180 0.585 0.916 0.917 0.917 CA 1.571 13 residues pruned to eliminate duplicates Z: 6 4.717 1.622 -0.101 0.828 1.000 1.000 CA 1.089 6 residues pruned to eliminate duplicates Z: 6 8.524 2.056 0.913 0.731 0.800 0.600 CA 0.985 6 residues pruned to eliminate duplicates Z: 54 58.469 2.438 0.998 0.541 0.868 0.717 CB 1.825 54 residues pruned to eliminate duplicates Z: 8 13.977 1.764 0.535 0.876 1.000 0.857 CB 1.418 8 residues pruned to eliminate duplicates Z: 21 20.994 2.049 0.385 0.591 1.000 0.750 CB 1.516 21 residues pruned to eliminate duplicates Z: 8 10.340 1.723 0.579 0.646 0.857 0.857 CA 1.461 8 residues pruned to eliminate duplicates Z: 17 18.589 1.984 0.530 0.667 0.875 0.688 CA 1.499 17 residues pruned to eliminate duplicates Z: 11 19.009 1.998 0.730 0.811 1.000 0.700 CB 1.327 11 residues pruned to eliminate duplicates Z: 10 12.882 2.089 0.584 0.698 0.778 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 27 44.986 2.410 0.900 0.556 1.000 0.654 CA 1.824 27 residues pruned to eliminate duplicates Z: 15 28.075 2.228 0.534 0.863 1.000 0.786 CB 1.611 15 residues pruned to eliminate duplicates Z: 17 26.909 2.090 0.766 0.773 0.938 0.688 CB 1.527 17 residues pruned to eliminate duplicates Z: 21 20.424 2.187 0.517 0.759 0.950 0.500 CB 1.151 21 residues pruned to eliminate duplicates Z: 30 23.290 2.115 0.660 0.506 0.862 0.655 CB 1.420 30 residues pruned to eliminate duplicates Z: 12 39.907 2.358 0.968 0.906 1.000 0.818 CB 1.844 12 residues pruned to eliminate duplicates Z: 52 32.039 2.124 0.495 0.553 0.961 0.667 CB 1.397 52 residues pruned to eliminate duplicates Z: 7 6.964 1.878 -0.002 0.630 0.833 0.500 CA 1.611 7 residues pruned to eliminate duplicates Z: 21 33.948 2.356 0.732 0.706 0.950 0.750 CB 1.624 21 residues pruned to eliminate duplicates Z: 15 18.240 2.271 0.401 0.752 0.857 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 23 25.543 2.214 0.785 0.458 1.000 0.727 CB 1.438 23 residues pruned to eliminate duplicates Z: 24 36.790 2.241 1.238 0.522 0.826 0.522 CA 1.812 24 residues pruned to eliminate duplicates Z: 16 8.932 1.490 0.298 0.798 0.933 0.533 CB 0.984 16 residues pruned to eliminate duplicates Z: 28 53.108 2.334 1.412 0.721 0.963 0.593 CB 1.545 27 residues pruned to eliminate duplicates Z: 10 10.283 1.489 0.714 0.918 1.000 1.000 CB 0.947 6 residues pruned to eliminate duplicates Z: 26 35.920 2.396 0.790 0.560 0.920 0.560 CB 1.718 26 residues pruned to eliminate duplicates Z: 8 7.237 1.540 0.431 0.911 1.000 1.000 CB 0.880 8 residues pruned to eliminate duplicates Z: 51 58.141 2.497 1.089 0.479 0.920 0.580 CB 1.750 51 residues pruned to eliminate duplicates Z: 12 4.376 1.668 0.408 0.436 0.818 0.636 CB 0.733 Z: 41 23.346 2.081 0.609 0.442 0.850 0.625 CB 1.377 41 residues pruned to eliminate duplicates Z: 21 31.653 2.150 0.630 0.777 1.000 0.750 CB 1.582 21 residues pruned to eliminate duplicates Z: 13 30.982 2.282 0.902 0.867 0.833 0.750 CA 1.808 13 residues pruned to eliminate duplicates Z: 86 66.022 2.486 0.912 0.485 0.859 0.576 CB 1.782 86 residues pruned to eliminate duplicates Z: 6 3.468 1.441 0.076 0.716 0.800 0.600 CB 1.028 6 residues pruned to eliminate duplicates Z: 10 8.847 1.477 0.576 0.917 1.000 0.889 CB 0.894 10 residues pruned to eliminate duplicates Z: 7 12.090 1.722 0.601 0.723 1.000 0.833 CB 1.464 7 residues pruned to eliminate duplicates Z: 37 29.951 2.255 0.510 0.527 0.944 0.611 CB 1.511 37 residues pruned to eliminate duplicates Z: 34 36.803 2.344 0.639 0.590 0.939 0.758 CB 1.628 34 residues pruned to eliminate duplicates Z: 93 60.010 2.340 0.872 0.499 0.880 0.554 CB 1.625 93 residues pruned to eliminate duplicates Z: 10 30.602 2.330 0.882 0.858 0.889 0.556 CB 1.927 10 residues pruned to eliminate duplicates Z: 36 34.800 2.280 0.573 0.571 1.000 0.657 CB 1.531 36 residues pruned to eliminate duplicates Z: 49 52.104 2.560 0.813 0.476 0.854 0.625 CB 1.944 49 residues pruned to eliminate duplicates Z: 6 3.766 1.249 0.496 0.641 0.800 0.600 CB 0.988 Z: 46 39.058 2.258 0.722 0.506 0.978 0.622 CB 1.522 46 residues pruned to eliminate duplicates Z: 12 24.900 2.377 0.858 0.409 1.000 0.727 CA 1.869 12 residues pruned to eliminate duplicates Z: 7 6.604 1.599 0.463 0.649 1.000 0.667 N 1.003 7 residues pruned to eliminate duplicates Z: 11 6.851 1.884 0.482 0.312 1.000 0.300 CB 0.955 11 residues pruned to eliminate duplicates Z: 21 27.770 2.106 0.524 0.774 0.950 0.650 CB 1.599 21 residues pruned to eliminate duplicates Z: 10 9.555 1.800 0.660 0.830 0.889 0.556 CB 0.901 10 residues pruned to eliminate duplicates Z: 17 25.017 2.210 0.747 0.810 0.875 0.562 CB 1.413 17 residues pruned to eliminate duplicates Z: 31 15.356 1.817 0.446 0.511 0.900 0.700 CB 1.173 31 residues pruned to eliminate duplicates Z: 6 3.453 1.487 0.901 0.457 0.600 0.400 CB 0.951 6 residues pruned to eliminate duplicates Z: 112 69.943 2.342 0.856 0.480 0.928 0.631 CB 1.679 112 residues pruned to eliminate duplicates Z: 9 8.974 1.515 0.770 0.644 1.000 1.000 CB 1.034 Z: 6 7.112 1.592 0.897 0.606 0.800 0.600 C 1.190 6 residues pruned to eliminate duplicates Z: 35 37.581 2.295 0.638 0.582 1.000 0.647 CB 1.584 35 residues pruned to eliminate duplicates Z: 45 38.035 2.256 0.989 0.452 0.932 0.636 CB 1.441 45 residues pruned to eliminate duplicates Z: 7 6.740 1.506 0.416 0.597 1.000 0.667 CA 1.177 7 residues pruned to eliminate duplicates Z: 13 22.473 2.161 0.620 0.741 0.917 0.833 CA 1.629 13 residues pruned to eliminate duplicates Z: 12 4.028 1.527 0.120 0.432 0.818 0.364 CB 0.931 Z: 56 46.701 2.473 0.848 0.432 0.836 0.582 CB 1.768 56 residues pruned to eliminate duplicates 6 1.160 1.353 -0.192 0.383 0.600 0.400 CA 0.896 ? Using tripeptides from previous cycle as seeds Z: 20 27.045 2.140 0.651 0.633 0.947 0.842 CB 1.637 20 residues pruned to eliminate duplicates Z: 21 29.358 2.096 0.795 0.646 0.950 0.700 CB 1.602 21 residues pruned to eliminate duplicates Z: 32 21.984 2.086 0.670 0.474 0.806 0.645 CB 1.443 32 residues pruned to eliminate duplicates Z: 38 23.964 1.972 0.675 0.499 0.865 0.595 CB 1.381 46 residues pruned to eliminate duplicates Z: 24 20.484 1.941 0.476 0.575 0.913 0.652 CB 1.519 24 residues pruned to eliminate duplicates Z: 16 24.765 2.442 0.424 0.725 0.800 0.733 CB 1.876 16 residues pruned to eliminate duplicates Z: 51 33.261 2.203 0.586 0.540 0.840 0.600 CB 1.542 51 residues pruned to eliminate duplicates Z: 56 35.384 2.159 0.506 0.602 0.891 0.636 CB 1.494 56 residues pruned to eliminate duplicates Z: 23 26.725 2.166 0.687 0.685 0.864 0.636 CB 1.523 23 residues pruned to eliminate duplicates Z: 21 25.107 2.203 0.565 0.678 0.900 0.600 CB 1.536 21 residues pruned to eliminate duplicates Z: 19 31.533 2.326 0.653 0.685 0.944 0.722 CB 1.728 19 residues pruned to eliminate duplicates Z: 20 22.622 2.213 0.512 0.608 0.895 0.684 CB 1.564 20 residues pruned to eliminate duplicates Z: 18 25.630 2.292 0.619 0.643 0.941 0.647 CB 1.558 18 residues pruned to eliminate duplicates Z: 17 28.378 2.393 0.631 0.712 0.875 0.750 CB 1.714 17 residues pruned to eliminate duplicates Z: 21 23.664 2.191 0.536 0.643 0.900 0.600 CB 1.529 21 residues pruned to eliminate duplicates Z: 22 25.724 2.180 0.483 0.649 1.000 0.619 CB 1.510 22 residues pruned to eliminate duplicates Z: 30 27.080 2.271 0.543 0.591 0.862 0.655 CB 1.525 30 residues pruned to eliminate duplicates Z: 21 25.354 2.158 0.602 0.646 0.900 0.650 CB 1.589 21 residues pruned to eliminate duplicates Z: 18 26.907 2.279 0.554 0.677 0.941 0.706 CB 1.664 18 residues pruned to eliminate duplicates Z: 18 35.562 2.372 0.766 0.730 1.000 0.647 CB 1.675 18 residues pruned to eliminate duplicates Z: 49 37.844 2.225 0.692 0.574 0.875 0.646 CB 1.544 49 residues pruned to eliminate duplicates Z: 52 36.352 2.176 0.569 0.568 0.922 0.706 CB 1.515 52 residues pruned to eliminate duplicates Z: 11 18.442 2.155 0.619 0.793 0.800 0.800 CB 1.615 11 residues pruned to eliminate duplicates Z: 32 21.051 2.112 0.633 0.439 0.806 0.645 CB 1.447 32 residues pruned to eliminate duplicates Z: 26 24.150 2.033 0.492 0.638 0.960 0.800 CB 1.458 26 residues pruned to eliminate duplicates Z: 25 19.987 1.898 0.596 0.529 0.958 0.542 CB 1.366 25 residues pruned to eliminate duplicates Z: 22 23.783 2.068 0.566 0.595 0.952 0.714 CB 1.536 22 residues pruned to eliminate duplicates Z: 22 19.095 2.072 0.358 0.544 0.905 0.667 CB 1.569 22 residues pruned to eliminate duplicates Z: 21 24.547 2.085 0.583 0.592 0.950 0.650 CB 1.602 21 residues pruned to eliminate duplicates Z: 33 21.680 2.063 0.656 0.432 0.844 0.625 CB 1.427 33 residues pruned to eliminate duplicates Z: 29 18.869 1.882 0.488 0.537 0.893 0.643 CB 1.376 29 residues pruned to eliminate duplicates Z: 21 21.426 2.106 0.470 0.588 0.900 0.650 CB 1.581 21 residues pruned to eliminate duplicates Z: 21 22.421 2.076 0.561 0.551 0.950 0.650 CB 1.550 21 residues pruned to eliminate duplicates Z: 49 31.061 2.216 0.542 0.510 0.854 0.542 CB 1.521 49 residues pruned to eliminate duplicates Z: 15 20.523 2.007 0.564 0.616 1.000 0.643 CB 1.566 15 residues pruned to eliminate duplicates Z: 21 15.112 2.048 0.462 0.412 0.800 0.300 CB 1.547 21 residues pruned to eliminate duplicates Z: 54 30.183 2.147 0.493 0.516 0.868 0.642 CB 1.466 54 residues pruned to eliminate duplicates Z: 155 76.820 2.424 0.701 0.487 0.903 0.610 CB 1.685 155 residues pruned to eliminate duplicates Z: 11 11.101 1.970 0.421 0.501 0.900 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 47 36.924 2.312 0.836 0.445 0.891 0.522 CB 1.522 47 residues pruned to eliminate duplicates Z: 12 11.347 1.894 0.751 0.419 0.818 0.545 CB 1.372 12 residues pruned to eliminate duplicates Z: 36 18.995 2.048 0.625 0.396 0.743 0.543 CB 1.449 36 residues pruned to eliminate duplicates Z: 42 46.352 2.358 0.881 0.516 0.976 0.707 CB 1.647 42 residues pruned to eliminate duplicates Z: 27 22.384 2.163 0.772 0.372 0.923 0.654 CB 1.424 27 residues pruned to eliminate duplicates Z: 91 65.703 2.495 0.792 0.472 0.889 0.533 CB 1.792 91 residues pruned to eliminate duplicates Z: 18 13.808 2.080 0.470 0.445 1.000 0.706 CB 1.159 18 residues pruned to eliminate duplicates Z: 43 43.036 2.345 0.823 0.517 0.929 0.714 CB 1.645 43 residues pruned to eliminate duplicates Z: 28 21.720 2.095 0.746 0.370 0.926 0.667 CB 1.418 28 residues pruned to eliminate duplicates Z: 28 22.307 2.132 0.802 0.404 0.889 0.667 CB 1.391 28 residues pruned to eliminate duplicates Z: 41 45.537 2.386 0.957 0.519 0.925 0.650 CB 1.636 41 residues pruned to eliminate duplicates Z: 49 37.156 2.237 0.729 0.475 0.896 0.625 CB 1.587 49 residues pruned to eliminate duplicates Z: 44 39.004 2.328 0.824 0.473 0.907 0.674 CB 1.587 44 residues pruned to eliminate duplicates Z: 30 18.715 2.041 0.859 0.343 0.828 0.586 CB 1.314 30 residues pruned to eliminate duplicates Z: 43 43.440 2.313 0.835 0.482 0.976 0.667 CB 1.648 43 residues pruned to eliminate duplicates Z: 44 43.874 2.326 0.868 0.489 0.930 0.628 CB 1.674 44 residues pruned to eliminate duplicates Z: 85 73.713 2.487 0.882 0.504 0.952 0.607 CB 1.798 85 residues pruned to eliminate duplicates Z: 26 26.702 2.213 0.918 0.416 0.920 0.680 CB 1.494 26 residues pruned to eliminate duplicates Z: 87 70.300 2.470 0.870 0.498 0.907 0.651 CB 1.813 87 residues pruned to eliminate duplicates Z: 90 74.500 2.511 0.914 0.469 0.944 0.652 CB 1.797 90 residues pruned to eliminate duplicates Z: 27 27.653 2.195 0.972 0.418 0.923 0.615 CB 1.478 27 residues pruned to eliminate duplicates Z: 94 77.296 2.556 0.928 0.476 0.882 0.624 CB 1.890 94 residues pruned to eliminate duplicates Z: 114 72.822 2.487 0.841 0.465 0.858 0.646 CB 1.806 114 residues pruned to eliminate duplicates Z: 29 36.892 2.355 1.030 0.519 0.893 0.571 CB 1.603 29 residues pruned to eliminate duplicates Z: 30 39.480 2.347 1.053 0.448 0.897 0.483 CB 1.791 30 residues pruned to eliminate duplicates Z: 42 48.551 2.359 0.879 0.511 1.000 0.610 CB 1.693 42 residues pruned to eliminate duplicates Z: 91 76.165 2.501 0.949 0.480 0.933 0.633 CB 1.800 91 residues pruned to eliminate duplicates Z: 67 43.111 2.178 0.686 0.525 0.909 0.576 CB 1.551 57 residues pruned to eliminate duplicates Z: 16 29.422 2.256 0.630 0.798 1.000 0.667 CB 1.592 16 residues pruned to eliminate duplicates Z: 39 43.671 2.356 0.842 0.532 0.947 0.579 CB 1.670 39 residues pruned to eliminate duplicates Z: 151 83.411 2.389 0.852 0.488 0.907 0.620 CB 1.718 151 residues pruned to eliminate duplicates Z: 43 43.695 2.360 0.828 0.486 0.952 0.619 CB 1.663 25 residues pruned to eliminate duplicates Z: 12 30.418 2.425 0.595 0.918 1.000 0.909 CB 1.673 12 residues pruned to eliminate duplicates Z: 113 78.439 2.510 0.866 0.489 0.902 0.616 CB 1.774 113 residues pruned to eliminate duplicates Z: 22 38.105 2.477 0.757 0.564 0.952 0.667 CB 1.886 22 residues pruned to eliminate duplicates Z: 47 43.041 2.321 0.871 0.498 0.913 0.652 CB 1.604 47 residues pruned to eliminate duplicates Z: 29 32.908 2.284 0.854 0.482 0.857 0.571 CB 1.745 29 residues pruned to eliminate duplicates Z: 42 39.179 2.339 0.855 0.485 0.902 0.610 CB 1.587 42 residues pruned to eliminate duplicates Z: 16 31.873 2.211 0.615 0.858 1.000 0.733 CA 1.698 16 residues pruned to eliminate duplicates Z: 30 38.778 2.347 0.912 0.558 0.862 0.483 CB 1.760 30 residues pruned to eliminate duplicates Z: 91 75.422 2.551 0.890 0.518 0.889 0.578 CB 1.822 91 residues pruned to eliminate duplicates Z: 91 63.622 2.454 0.847 0.465 0.889 0.589 CB 1.725 91 residues pruned to eliminate duplicates Z: 74 61.007 2.532 0.905 0.483 0.863 0.562 CB 1.745 74 residues pruned to eliminate duplicates Z: 89 69.457 2.479 0.977 0.479 0.898 0.557 CB 1.718 89 residues pruned to eliminate duplicates Z: 52 54.801 2.561 0.960 0.466 0.882 0.510 CB 1.794 52 residues pruned to eliminate duplicates Z: 83 65.925 2.436 0.842 0.474 0.927 0.573 CB 1.798 83 residues pruned to eliminate duplicates Z: 55 50.136 2.512 0.799 0.465 0.889 0.519 CB 1.759 55 residues pruned to eliminate duplicates Z: 74 64.534 2.535 0.911 0.487 0.918 0.603 CB 1.721 74 residues pruned to eliminate duplicates Z: 52 53.318 2.581 0.966 0.487 0.824 0.529 CB 1.810 52 residues pruned to eliminate duplicates Z: 65 61.934 2.548 0.949 0.457 0.859 0.562 CB 1.895 65 residues pruned to eliminate duplicates Z: 91 69.828 2.474 0.864 0.487 0.911 0.622 CB 1.775 91 residues pruned to eliminate duplicates Z: 50 59.591 2.593 0.996 0.465 0.939 0.633 CB 1.816 50 residues pruned to eliminate duplicates Z: 93 77.090 2.549 0.990 0.493 0.891 0.543 CB 1.789 93 residues pruned to eliminate duplicates Z: 94 65.644 2.475 0.834 0.493 0.860 0.624 CB 1.756 94 residues pruned to eliminate duplicates Z: 50 56.707 2.610 0.949 0.463 0.878 0.551 CB 1.883 50 residues pruned to eliminate duplicates Z: 74 65.589 2.552 0.921 0.498 0.890 0.603 CB 1.761 74 residues pruned to eliminate duplicates Z: 34 42.073 2.607 0.750 0.426 0.879 0.545 CB 1.973 34 residues pruned to eliminate duplicates Z: 89 63.683 2.438 0.869 0.433 0.909 0.580 CB 1.756 89 residues pruned to eliminate duplicates Z: 43 56.369 2.599 0.885 0.496 0.905 0.571 CB 1.971 43 residues pruned to eliminate duplicates Z: 59 44.332 2.443 0.801 0.421 0.828 0.517 CB 1.736 59 residues pruned to eliminate duplicates Z: 72 68.128 2.560 0.950 0.499 0.901 0.592 CB 1.798 72 residues pruned to eliminate duplicates Z: 39 63.750 2.652 0.908 0.524 0.947 0.737 CB 2.106 39 residues pruned to eliminate duplicates Z: 47 52.486 2.561 0.814 0.534 0.891 0.630 CB 1.808 47 residues pruned to eliminate duplicates Z: 88 76.147 2.567 0.944 0.520 0.885 0.632 CB 1.811 88 residues pruned to eliminate duplicates Z: 76 65.772 2.522 0.959 0.499 0.893 0.547 CB 1.723 76 residues pruned to eliminate duplicates Z: 94 72.643 2.486 0.867 0.478 0.914 0.505 CB 1.816 94 residues pruned to eliminate duplicates Z: 67 72.302 2.595 0.995 0.500 0.909 0.636 CB 1.891 67 residues pruned to eliminate duplicates Z: 91 69.835 2.480 0.933 0.492 0.878 0.633 CB 1.764 91 residues pruned to eliminate duplicates Z: 113 73.584 2.455 0.966 0.465 0.866 0.562 CB 1.724 113 residues pruned to eliminate duplicates Z: 35 42.964 2.505 0.859 0.409 0.912 0.471 CB 1.909 35 residues pruned to eliminate duplicates Z: 65 65.941 2.548 0.939 0.482 0.891 0.562 CB 1.908 65 residues pruned to eliminate duplicates Z: 49 53.990 2.606 0.986 0.458 0.833 0.562 CB 1.886 49 residues pruned to eliminate duplicates Z: 113 79.887 2.463 0.920 0.494 0.920 0.634 CB 1.746 113 residues pruned to eliminate duplicates Z: 91 68.405 2.484 0.925 0.475 0.889 0.611 CB 1.741 91 residues pruned to eliminate duplicates Z: 43 41.318 2.430 0.884 0.397 0.857 0.476 CB 1.812 43 residues pruned to eliminate duplicates Z: 143 73.447 2.372 0.839 0.486 0.873 0.620 CB 1.641 143 residues pruned to eliminate duplicates Z: 69 71.066 2.536 0.978 0.483 0.912 0.588 CB 1.916 69 residues pruned to eliminate duplicates Z: 74 60.884 2.445 0.923 0.479 0.904 0.616 CB 1.712 74 residues pruned to eliminate duplicates Z: 68 67.286 2.552 0.967 0.505 0.896 0.627 CB 1.818 68 residues pruned to eliminate duplicates Z: 90 76.851 2.497 0.984 0.498 0.944 0.652 CB 1.747 90 residues pruned to eliminate duplicates Z: 114 83.381 2.478 0.973 0.513 0.920 0.646 CB 1.721 114 residues pruned to eliminate duplicates Z: 35 47.455 2.538 0.918 0.460 0.912 0.529 CB 1.910 35 residues pruned to eliminate duplicates Z: 43 55.771 2.533 1.024 0.450 0.881 0.524 CB 2.006 43 residues pruned to eliminate duplicates Z: 50 65.158 2.597 1.120 0.498 0.918 0.510 CB 1.844 50 residues pruned to eliminate duplicates Z: 23 34.281 2.541 0.962 0.333 0.864 0.545 CB 2.037 23 residues pruned to eliminate duplicates Z: 52 63.655 2.548 1.134 0.489 0.941 0.608 CB 1.762 52 residues pruned to eliminate duplicates Z: 57 57.181 2.496 1.003 0.453 0.875 0.607 CB 1.833 57 residues pruned to eliminate duplicates Z: 24 38.829 2.523 0.769 0.582 0.870 0.652 CB 1.928 24 residues pruned to eliminate duplicates Z: 28 40.019 2.418 0.824 0.587 0.926 0.593 CB 1.734 28 residues pruned to eliminate duplicates Z: 42 36.717 2.374 0.752 0.477 0.829 0.488 CB 1.703 42 residues pruned to eliminate duplicates Z: 25 43.365 2.523 0.888 0.616 0.917 0.625 CB 1.816 25 residues pruned to eliminate duplicates Z: 26 41.905 2.498 0.949 0.603 0.880 0.720 CB 1.773 26 residues pruned to eliminate duplicates Z: 26 36.493 2.481 0.648 0.613 0.880 0.640 CB 1.822 26 residues pruned to eliminate duplicates Z: 26 41.949 2.542 0.823 0.593 0.920 0.640 CB 1.801 26 residues pruned to eliminate duplicates Z: 25 43.231 2.507 1.017 0.620 0.917 0.667 CB 1.700 25 residues pruned to eliminate duplicates Z: 60 60.212 2.493 0.876 0.564 0.881 0.661 CB 1.788 60 residues pruned to eliminate duplicates Z: 56 64.235 2.527 0.923 0.541 0.909 0.600 CB 1.884 56 residues pruned to eliminate duplicates Z: 27 37.559 2.449 0.799 0.556 0.885 0.692 CB 1.789 27 residues pruned to eliminate duplicates Z: 53 68.906 2.573 1.011 0.563 0.904 0.692 CB 1.922 53 residues pruned to eliminate duplicates Z: 37 45.041 2.421 0.981 0.566 0.889 0.583 CB 1.652 37 residues pruned to eliminate duplicates Z: 44 40.914 2.382 0.769 0.561 0.860 0.512 CB 1.622 44 residues pruned to eliminate duplicates Z: 23 30.656 2.340 0.958 0.438 0.909 0.591 CB 1.672 23 residues pruned to eliminate duplicates Z: 25 42.211 2.557 0.842 0.582 0.917 0.625 CB 1.844 25 residues pruned to eliminate duplicates Z: 26 36.350 2.497 0.917 0.604 0.800 0.640 CB 1.720 26 residues pruned to eliminate duplicates Z: 28 33.047 2.373 0.900 0.504 0.852 0.630 CA 1.650 28 residues pruned to eliminate duplicates Z: 12 20.958 2.314 0.939 0.423 0.909 0.636 CB 1.679 12 residues pruned to eliminate duplicates Z: 20 21.649 2.279 0.812 0.429 0.789 0.526 CA 1.641 20 residues pruned to eliminate duplicates Z: 36 46.922 2.432 0.957 0.558 0.886 0.600 CB 1.779 36 residues pruned to eliminate duplicates Z: 21 21.672 2.169 0.893 0.418 0.800 0.500 CB 1.608 21 residues pruned to eliminate duplicates Z: 14 37.637 2.512 1.425 0.545 0.923 0.615 CB 1.775 34 residues pruned to eliminate duplicates Z: 27 46.667 2.388 1.308 0.677 0.923 0.692 CB 1.528 27 residues pruned to eliminate duplicates Z: 28 43.758 2.313 1.221 0.647 0.926 0.630 CB 1.543 28 residues pruned to eliminate duplicates Z: 30 40.020 2.261 1.239 0.640 0.897 0.586 CB 1.437 30 residues pruned to eliminate duplicates Z: 28 42.755 2.336 1.179 0.621 0.926 0.667 CB 1.558 28 residues pruned to eliminate duplicates Z: 14 2.950 1.571 0.454 0.085 0.538 0.154 C 1.138 14 residues pruned to eliminate duplicates Z: 29 40.305 2.287 1.164 0.629 0.929 0.679 CB 1.467 29 residues pruned to eliminate duplicates Z: 15 32.677 2.397 1.299 0.496 1.000 0.714 CB 1.591 15 residues pruned to eliminate duplicates Z: 19 23.798 2.154 0.499 0.714 0.889 0.667 CB 1.610 19 residues pruned to eliminate duplicates Z: 20 22.095 2.159 0.467 0.671 0.842 0.632 CB 1.623 20 residues pruned to eliminate duplicates Z: 22 20.648 2.116 0.605 0.572 0.810 0.571 CB 1.528 22 residues pruned to eliminate duplicates Z: 30 22.506 2.086 0.498 0.600 0.793 0.655 CB 1.534 30 residues pruned to eliminate duplicates Z: 48 24.635 1.993 0.484 0.528 0.830 0.511 CB 1.424 48 residues pruned to eliminate duplicates Z: 25 24.324 2.221 0.641 0.609 0.792 0.458 CB 1.552 25 residues pruned to eliminate duplicates Z: 20 22.513 2.165 0.623 0.723 0.789 0.421 CB 1.523 20 residues pruned to eliminate duplicates Z: 28 28.483 2.194 0.657 0.652 0.852 0.593 CB 1.537 28 residues pruned to eliminate duplicates Z: 20 26.481 2.157 0.652 0.733 0.895 0.474 CB 1.546 20 residues pruned to eliminate duplicates Z: 28 25.689 2.205 0.541 0.628 0.815 0.556 CB 1.583 28 residues pruned to eliminate duplicates Z: 19 27.693 2.249 0.610 0.745 0.889 0.611 CB 1.629 19 residues pruned to eliminate duplicates Z: 20 25.241 2.177 0.586 0.707 0.842 0.579 CB 1.650 20 residues pruned to eliminate duplicates Z: 28 24.687 2.182 0.431 0.628 0.889 0.444 CB 1.517 28 residues pruned to eliminate duplicates Z: 18 30.589 2.297 0.512 0.738 1.000 0.647 CB 1.725 18 residues pruned to eliminate duplicates Z: 17 25.441 2.234 0.498 0.695 0.938 0.562 CB 1.696 17 residues pruned to eliminate duplicates Z: 20 25.980 2.148 0.541 0.713 0.947 0.579 CB 1.567 20 residues pruned to eliminate duplicates Z: 26 29.871 2.234 0.560 0.660 0.920 0.720 CB 1.606 28 residues pruned to eliminate duplicates Z: 11 9.799 1.645 0.350 0.700 0.900 0.700 CB 1.291 11 residues pruned to eliminate duplicates Z: 19 10.153 1.897 0.375 0.431 0.778 0.556 CB 1.267 19 residues pruned to eliminate duplicates Z: 19 10.074 1.835 0.354 0.416 0.833 0.667 CB 1.252 19 residues pruned to eliminate duplicates Z: 27 15.387 1.749 0.442 0.571 0.962 0.654 CB 1.162 27 residues pruned to eliminate duplicates Z: 25 16.135 1.761 0.463 0.609 0.958 0.625 CB 1.203 25 residues pruned to eliminate duplicates Z: 26 13.444 1.663 0.463 0.538 0.840 0.600 CB 1.267 26 residues pruned to eliminate duplicates Z: 35 18.317 1.803 0.474 0.530 0.912 0.647 CB 1.259 35 residues pruned to eliminate duplicates Z: 21 13.368 1.703 0.508 0.552 0.950 0.750 CB 1.164 21 residues pruned to eliminate duplicates Z: 27 14.723 1.706 0.376 0.569 0.962 0.692 CB 1.197 27 residues pruned to eliminate duplicates Z: 27 15.683 1.727 0.474 0.579 0.923 0.731 CB 1.213 27 residues pruned to eliminate duplicates Z: 25 15.798 1.674 0.518 0.583 0.958 0.625 CB 1.223 25 residues pruned to eliminate duplicates Z: 27 16.916 1.697 0.580 0.606 0.962 0.538 CB 1.164 27 residues pruned to eliminate duplicates Z: 24 15.322 1.649 0.537 0.579 0.913 0.609 CB 1.280 24 residues pruned to eliminate duplicates Z: 36 15.576 1.816 0.389 0.510 0.857 0.629 CB 1.206 36 residues pruned to eliminate duplicates Z: 18 11.635 1.615 0.597 0.619 0.882 0.588 CB 1.108 18 residues pruned to eliminate duplicates Z: 33 16.483 1.784 0.462 0.526 0.875 0.562 CB 1.244 33 residues pruned to eliminate duplicates Z: 25 18.438 1.771 0.543 0.634 0.958 0.667 CB 1.268 25 residues pruned to eliminate duplicates Z: 24 14.509 1.605 0.660 0.536 0.913 0.609 CB 1.201 24 residues pruned to eliminate duplicates Z: 14 10.872 1.588 0.642 0.483 1.000 0.538 CB 1.177 14 residues pruned to eliminate duplicates Z: 20 15.295 1.765 0.546 0.548 0.947 0.684 CB 1.294 20 residues pruned to eliminate duplicates Z: 20 9.590 1.576 0.602 0.416 0.895 0.579 CB 1.063 20 residues pruned to eliminate duplicates Z: 29 19.167 1.696 0.468 0.681 0.964 0.714 CB 1.277 29 residues pruned to eliminate duplicates Z: 17 13.699 1.618 0.496 0.691 1.000 0.875 CB 1.188 17 residues pruned to eliminate duplicates Z: 31 18.678 1.692 0.532 0.649 0.967 0.800 CB 1.184 31 residues pruned to eliminate duplicates Z: 17 11.911 1.622 0.471 0.639 0.938 0.812 CB 1.169 17 residues pruned to eliminate duplicates Z: 17 13.180 1.549 0.578 0.682 0.938 0.750 CB 1.216 17 residues pruned to eliminate duplicates Z: 29 19.109 1.701 0.474 0.688 0.964 0.821 CB 1.257 29 residues pruned to eliminate duplicates Z: 28 20.259 1.731 0.515 0.683 0.963 0.852 CB 1.305 28 residues pruned to eliminate duplicates Z: 90 45.915 2.211 0.741 0.451 0.865 0.551 CB 1.537 90 residues pruned to eliminate duplicates Z: 29 41.795 2.306 1.108 0.520 0.893 0.643 CB 1.784 29 residues pruned to eliminate duplicates Z: 57 33.986 1.986 0.817 0.498 0.911 0.589 CB 1.386 74 residues pruned to eliminate duplicates Z: 6 10.448 1.875 1.162 0.352 1.000 0.400 CA 1.352 6 residues pruned to eliminate duplicates Z: 38 31.338 2.108 0.895 0.463 0.865 0.459 CB 1.548 38 residues pruned to eliminate duplicates Z: 101 64.451 2.328 0.938 0.502 0.880 0.630 CB 1.619 101 residues pruned to eliminate duplicates Z: 43 35.868 2.093 0.868 0.486 0.929 0.452 CB 1.546 43 residues pruned to eliminate duplicates Z: 85 51.136 2.195 0.817 0.475 0.952 0.524 CB 1.507 85 residues pruned to eliminate duplicates Z: 23 39.697 2.292 1.061 0.552 1.000 0.591 CA 1.703 23 residues pruned to eliminate duplicates Z: 42 33.036 2.051 0.857 0.461 0.951 0.537 CB 1.483 42 residues pruned to eliminate duplicates Z: 23 37.399 2.274 1.081 0.555 0.955 0.545 CA 1.672 23 residues pruned to eliminate duplicates Z: 23 35.211 2.153 1.158 0.552 0.909 0.455 CB 1.689 35 residues pruned to eliminate duplicates Z: 43 33.279 2.037 0.918 0.451 0.905 0.571 CB 1.528 43 residues pruned to eliminate duplicates Z: 65 50.117 2.329 0.835 0.498 0.906 0.656 CB 1.621 65 residues pruned to eliminate duplicates Z: 23 37.968 2.300 1.036 0.518 0.955 0.455 CA 1.779 23 residues pruned to eliminate duplicates Z: 89 50.739 2.220 0.795 0.465 0.909 0.602 CB 1.547 89 residues pruned to eliminate duplicates Z: 32 34.186 2.260 0.920 0.508 0.871 0.516 CB 1.611 32 residues pruned to eliminate duplicates Z: 46 27.624 1.996 0.808 0.410 0.933 0.489 CB 1.344 46 residues pruned to eliminate duplicates Z: 42 33.809 2.077 0.852 0.446 0.927 0.512 CB 1.565 42 residues pruned to eliminate duplicates Z: 78 48.313 2.281 0.841 0.474 0.857 0.584 CB 1.572 78 residues pruned to eliminate duplicates Z: 71 52.656 2.312 0.839 0.514 0.900 0.629 CB 1.622 71 residues pruned to eliminate duplicates Z: 46 32.335 2.074 0.845 0.438 0.867 0.467 CB 1.549 46 residues pruned to eliminate duplicates Z: 24 42.760 2.258 1.138 0.574 0.957 0.652 CA 1.798 24 residues pruned to eliminate duplicates Z: 114 53.590 2.213 0.843 0.457 0.858 0.611 CB 1.505 114 residues pruned to eliminate duplicates Z: 29 48.766 2.274 1.199 0.570 1.000 0.607 CB 1.723 29 residues pruned to eliminate duplicates Z: 66 56.213 2.316 0.869 0.520 0.954 0.569 CB 1.656 66 residues pruned to eliminate duplicates Z: 112 57.735 2.246 0.839 0.470 0.874 0.532 CB 1.565 112 residues pruned to eliminate duplicates Z: 72 50.531 2.259 0.782 0.493 0.901 0.606 CB 1.664 72 residues pruned to eliminate duplicates Z: 46 33.572 2.280 0.734 0.486 0.867 0.556 CB 1.482 46 residues pruned to eliminate duplicates Z: 114 57.304 2.237 0.830 0.463 0.903 0.602 CB 1.514 114 residues pruned to eliminate duplicates Z: 45 33.883 2.285 0.760 0.494 0.864 0.614 CB 1.479 45 residues pruned to eliminate duplicates Z: 44 38.203 2.324 0.723 0.509 0.930 0.651 CB 1.551 44 residues pruned to eliminate duplicates Z: 45 38.171 2.309 0.831 0.512 0.909 0.523 CB 1.480 45 residues pruned to eliminate duplicates Z: 87 41.281 2.186 0.690 0.430 0.849 0.547 CB 1.527 87 residues pruned to eliminate duplicates Z: 44 34.664 2.291 0.706 0.503 0.884 0.628 CB 1.527 44 residues pruned to eliminate duplicates Z: 111 62.099 2.265 0.824 0.491 0.918 0.591 CB 1.575 111 residues pruned to eliminate duplicates Z: 76 47.053 2.297 0.785 0.479 0.907 0.573 CB 1.492 76 residues pruned to eliminate duplicates Z: 114 55.463 2.228 0.785 0.474 0.894 0.478 CB 1.506 114 residues pruned to eliminate duplicates Z: 71 49.994 2.191 0.895 0.489 0.914 0.586 CB 1.591 71 residues pruned to eliminate duplicates Z: 98 64.359 2.318 0.946 0.501 0.907 0.557 CB 1.595 98 residues pruned to eliminate duplicates Z: 72 48.759 2.309 0.812 0.474 0.887 0.563 CB 1.600 72 residues pruned to eliminate duplicates Z: 47 33.885 2.262 0.716 0.500 0.891 0.543 CB 1.443 47 residues pruned to eliminate duplicates Z: 49 32.838 2.288 0.681 0.443 0.854 0.604 CB 1.530 49 residues pruned to eliminate duplicates Z: 36 24.255 2.138 0.541 0.417 0.914 0.571 CB 1.483 36 residues pruned to eliminate duplicates Z: 94 59.841 2.301 0.916 0.495 0.892 0.548 CB 1.585 94 residues pruned to eliminate duplicates Z: 45 34.386 2.254 0.644 0.501 0.932 0.659 CB 1.501 45 residues pruned to eliminate duplicates Z: 74 42.142 2.241 0.785 0.451 0.836 0.507 CB 1.552 74 residues pruned to eliminate duplicates Z: 65 45.258 2.300 0.653 0.510 0.906 0.641 CB 1.626 65 residues pruned to eliminate duplicates Z: 114 60.062 2.235 0.825 0.488 0.903 0.522 CB 1.554 114 residues pruned to eliminate duplicates Z: 73 49.719 2.344 0.785 0.505 0.917 0.625 CB 1.520 73 residues pruned to eliminate duplicates Z: 74 49.152 2.327 0.778 0.490 0.904 0.603 CB 1.554 74 residues pruned to eliminate duplicates Z: 82 41.479 2.146 0.713 0.452 0.901 0.605 CB 1.461 82 residues pruned to eliminate duplicates Z: 85 49.189 2.202 0.781 0.466 0.905 0.571 CB 1.565 85 residues pruned to eliminate duplicates Z: 87 44.833 2.168 0.804 0.431 0.884 0.547 CB 1.501 87 residues pruned to eliminate duplicates Z: 67 54.448 2.317 0.889 0.528 0.909 0.652 CB 1.638 67 residues pruned to eliminate duplicates Z: 73 49.142 2.256 0.843 0.488 0.903 0.569 CB 1.562 73 residues pruned to eliminate duplicates Z: 100 64.668 2.346 0.891 0.506 0.909 0.626 CB 1.602 100 residues pruned to eliminate duplicates Z: 60 34.876 2.242 0.704 0.438 0.864 0.542 CB 1.466 60 residues pruned to eliminate duplicates Z: 49 39.552 2.259 0.841 0.518 0.938 0.542 CB 1.439 49 residues pruned to eliminate duplicates Z: 67 47.169 2.300 0.801 0.512 0.894 0.667 CB 1.549 67 residues pruned to eliminate duplicates Z: 34 25.050 2.255 0.510 0.438 0.939 0.727 CB 1.454 34 residues pruned to eliminate duplicates Z: 18 15.293 2.123 0.488 0.409 0.824 0.765 CB 1.569 18 residues pruned to eliminate duplicates Z: 35 25.742 2.259 0.620 0.448 0.882 0.676 CB 1.442 35 residues pruned to eliminate duplicates Z: 95 58.249 2.287 0.910 0.506 0.872 0.585 CB 1.568 95 residues pruned to eliminate duplicates Z: 36 23.462 2.207 0.691 0.373 0.886 0.457 CB 1.374 36 residues pruned to eliminate duplicates Z: 83 53.765 2.209 0.940 0.489 0.927 0.671 CB 1.512 83 residues pruned to eliminate duplicates Z: 20 15.275 2.015 0.660 0.386 0.895 0.737 CB 1.322 20 residues pruned to eliminate duplicates Z: 112 57.239 2.214 0.852 0.493 0.901 0.604 CB 1.482 112 residues pruned to eliminate duplicates Z: 19 15.070 2.044 0.664 0.413 0.889 0.667 CB 1.286 19 residues pruned to eliminate duplicates Z: 49 38.636 2.272 0.867 0.477 0.917 0.604 CB 1.467 49 residues pruned to eliminate duplicates Z: 50 38.292 2.248 0.890 0.479 0.959 0.714 CB 1.371 50 residues pruned to eliminate duplicates Z: 68 49.482 2.322 0.855 0.484 0.896 0.552 CB 1.592 68 residues pruned to eliminate duplicates Z: 49 38.990 2.257 0.975 0.416 0.917 0.562 CB 1.503 49 residues pruned to eliminate duplicates Z: 21 15.799 2.136 0.888 0.223 0.900 0.600 CB 1.345 21 residues pruned to eliminate duplicates Z: 45 33.270 2.252 0.927 0.421 0.818 0.568 CB 1.533 45 residues pruned to eliminate duplicates Z: 33 28.045 2.275 0.807 0.433 0.875 0.531 CB 1.478 33 residues pruned to eliminate duplicates Z: 71 50.338 2.303 0.961 0.452 0.914 0.629 CB 1.532 71 residues pruned to eliminate duplicates Z: 26 36.919 2.431 0.940 0.528 0.880 0.640 CB 1.731 26 residues pruned to eliminate duplicates Z: 27 24.078 2.221 0.838 0.514 0.808 0.615 CB 1.413 27 residues pruned to eliminate duplicates Z: 39 36.881 2.391 0.707 0.559 0.868 0.579 CB 1.593 39 residues pruned to eliminate duplicates Z: 33 31.739 2.295 0.952 0.471 0.812 0.500 CB 1.588 33 residues pruned to eliminate duplicates Z: 77 50.349 2.339 0.819 0.496 0.895 0.579 CB 1.524 77 residues pruned to eliminate duplicates Z: 27 20.711 2.199 0.724 0.434 0.769 0.577 CB 1.491 27 residues pruned to eliminate duplicates Z: 38 32.115 2.260 0.822 0.435 0.892 0.595 CB 1.537 38 residues pruned to eliminate duplicates Z: 27 42.552 2.405 1.140 0.577 0.923 0.692 CB 1.631 27 residues pruned to eliminate duplicates Z: 30 36.066 2.352 1.055 0.508 0.862 0.586 CB 1.594 30 residues pruned to eliminate duplicates Z: 27 41.116 2.382 0.968 0.569 0.962 0.692 CB 1.673 27 residues pruned to eliminate duplicates Z: 32 31.559 2.282 0.788 0.528 0.903 0.548 CB 1.496 32 residues pruned to eliminate duplicates Z: 72 48.704 2.285 0.846 0.535 0.887 0.620 CB 1.493 72 residues pruned to eliminate duplicates Z: 32 32.992 2.325 0.826 0.515 0.871 0.677 CB 1.579 32 residues pruned to eliminate duplicates Z: 81 46.772 2.241 0.948 0.413 0.863 0.600 CB 1.522 81 residues pruned to eliminate duplicates Z: 28 37.659 2.309 1.024 0.599 0.926 0.481 CB 1.525 28 residues pruned to eliminate duplicates Z: 64 42.546 2.196 0.919 0.464 0.905 0.508 CB 1.458 64 residues pruned to eliminate duplicates Z: 46 37.618 2.288 0.901 0.430 0.889 0.578 CB 1.560 46 residues pruned to eliminate duplicates Z: 29 32.908 2.366 1.078 0.529 0.786 0.464 CB 1.564 29 residues pruned to eliminate duplicates Z: 76 46.553 2.244 0.648 0.556 0.933 0.667 CB 1.475 76 residues pruned to eliminate duplicates Z: 55 35.723 2.225 0.729 0.455 0.870 0.611 CB 1.521 55 residues pruned to eliminate duplicates Z: 78 45.875 2.220 0.645 0.540 0.922 0.610 CB 1.493 78 residues pruned to eliminate duplicates Z: 77 46.834 2.235 0.610 0.554 0.947 0.618 CB 1.495 77 residues pruned to eliminate duplicates Z: 56 31.260 2.138 0.460 0.553 0.909 0.618 CB 1.411 56 residues pruned to eliminate duplicates Z: 19 11.101 1.811 0.337 0.551 0.833 0.611 CB 1.234 19 residues pruned to eliminate duplicates Z: 37 34.946 2.252 0.737 0.554 0.972 0.694 CB 1.453 37 residues pruned to eliminate duplicates Z: 78 51.534 2.258 0.698 0.557 0.961 0.636 CB 1.508 78 residues pruned to eliminate duplicates Z: 13 10.300 1.819 0.238 0.554 1.000 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 85 47.979 2.168 0.740 0.528 0.940 0.655 CB 1.435 85 residues pruned to eliminate duplicates Z: 82 46.840 2.218 0.658 0.558 0.938 0.679 CB 1.426 82 residues pruned to eliminate duplicates Z: 76 50.013 2.251 0.668 0.559 0.960 0.693 CB 1.513 76 residues pruned to eliminate duplicates Z: 76 54.082 2.276 0.672 0.586 0.973 0.680 CB 1.552 76 residues pruned to eliminate duplicates Z: 51 38.592 2.191 0.587 0.596 0.960 0.780 CB 1.492 51 residues pruned to eliminate duplicates Z: 76 49.942 2.235 0.676 0.557 0.947 0.707 CB 1.539 76 residues pruned to eliminate duplicates Z: 75 43.399 2.178 0.589 0.561 0.932 0.608 CB 1.474 75 residues pruned to eliminate duplicates Z: 76 50.929 2.253 0.726 0.575 0.933 0.653 CB 1.507 76 residues pruned to eliminate duplicates Z: 54 38.969 2.120 0.654 0.571 0.962 0.736 CB 1.481 54 residues pruned to eliminate duplicates Z: 142 67.984 2.237 0.746 0.532 0.950 0.631 CB 1.494 142 residues pruned to eliminate duplicates Z: 161 69.886 2.217 0.762 0.498 0.944 0.631 CB 1.502 161 residues pruned to eliminate duplicates Z: 77 45.530 2.217 0.615 0.562 0.934 0.697 CB 1.471 77 residues pruned to eliminate duplicates Z: 62 34.831 2.165 0.552 0.523 0.934 0.689 CB 1.388 62 residues pruned to eliminate duplicates Z: 78 45.289 2.232 0.613 0.557 0.935 0.675 CB 1.451 78 residues pruned to eliminate duplicates Z: 80 41.849 2.235 0.639 0.501 0.848 0.582 CB 1.514 80 residues pruned to eliminate duplicates Z: 37 36.029 2.281 0.650 0.579 0.972 0.694 CB 1.521 37 residues pruned to eliminate duplicates Z: 77 48.589 2.235 0.690 0.579 0.921 0.645 CB 1.486 77 residues pruned to eliminate duplicates Z: 53 34.801 2.171 0.519 0.569 0.942 0.673 CB 1.452 53 residues pruned to eliminate duplicates Z: 52 38.592 2.186 0.534 0.575 1.000 0.667 CB 1.499 52 residues pruned to eliminate duplicates Z: 51 30.680 2.170 0.434 0.521 0.920 0.700 CB 1.485 51 residues pruned to eliminate duplicates Z: 76 44.165 2.242 0.614 0.559 0.933 0.600 CB 1.426 76 residues pruned to eliminate duplicates Z: 23 21.415 2.198 0.354 0.649 0.955 0.636 CB 1.398 23 residues pruned to eliminate duplicates Z: 52 31.527 2.128 0.563 0.525 0.922 0.608 CB 1.405 52 residues pruned to eliminate duplicates Z: 135 63.560 2.225 0.778 0.504 0.918 0.642 CB 1.506 135 residues pruned to eliminate duplicates Z: 52 33.621 2.160 0.528 0.580 0.941 0.608 CB 1.402 52 residues pruned to eliminate duplicates Z: 52 39.087 2.177 0.684 0.591 0.941 0.706 CB 1.454 52 residues pruned to eliminate duplicates Z: 75 46.711 2.236 0.689 0.529 0.932 0.622 CB 1.500 75 residues pruned to eliminate duplicates Z: 38 37.920 2.282 0.760 0.565 0.973 0.703 CB 1.499 38 residues pruned to eliminate duplicates Z: 37 39.324 2.274 0.836 0.591 0.972 0.667 CB 1.480 37 residues pruned to eliminate duplicates Z: 53 41.963 2.165 0.829 0.577 0.962 0.654 CB 1.420 55 residues pruned to eliminate duplicates Z: 10 12.316 2.088 0.894 0.467 0.778 0.667 CA 1.381 10 residues pruned to eliminate duplicates Z: 38 38.809 2.246 0.903 0.575 0.946 0.649 CB 1.467 38 residues pruned to eliminate duplicates Z: 41 32.669 2.170 0.713 0.532 0.950 0.675 CB 1.417 41 residues pruned to eliminate duplicates Z: 37 34.589 2.286 0.746 0.566 0.917 0.639 CB 1.477 37 residues pruned to eliminate duplicates Z: 38 30.764 2.241 0.675 0.539 0.919 0.649 CB 1.411 38 residues pruned to eliminate duplicates Z: 20 34.580 2.313 1.204 0.485 0.947 0.526 CA 1.668 20 residues pruned to eliminate duplicates Z: 37 35.019 2.269 0.800 0.579 0.944 0.667 CB 1.403 37 residues pruned to eliminate duplicates Z: 37 38.509 2.268 0.817 0.586 0.972 0.750 CB 1.475 37 residues pruned to eliminate duplicates Z: 61 35.923 2.175 0.679 0.495 0.950 0.650 CB 1.344 61 residues pruned to eliminate duplicates Z: 37 37.309 2.289 0.731 0.595 0.972 0.694 CB 1.475 37 residues pruned to eliminate duplicates Z: 19 37.604 2.389 1.199 0.516 0.944 0.778 CB 1.758 21 residues pruned to eliminate duplicates 353 residues left after pruning, divided into chains as follows: A: 4 B: 145 C: 204 CC for partial structure against native data = 35.27 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.572, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.655, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.769, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.779, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.790, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.794, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.799, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.800, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.802, Connect. = 0.816 for dens.mod. cycle 9 TimeTaking 253.9